smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=CCN1C(=O)C(=O)N(CC(=O)NCCNC(=O)c2ccc(OC)cc2)C1=O 53270819 JFRDXXDFWPQXOG-UHFFFAOYSA-N 388.380 -0.482 30 20 GBED CN(C)CCCN(CCC#N)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 64362128 GZAKTEHQSZLXES-CQSZACIVSA-N 397.501 -0.154 30 20 GBED N#CCn1cc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cn1 139461152 DNLQDWRPKWNCFQ-UHFFFAOYSA-N 388.409 -0.221 30 20 GBED COC[C@@H](C)NC(=O)NC(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C 268248515 BKWSBMAGRDTTRA-CHWSQXEVSA-N 375.433 -0.281 30 20 GBED C=CCNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1 271980453 MNUGWCQROIAGER-UHFFFAOYSA-N 383.426 -0.440 30 20 GBED C=CCn1c(=O)/c(=C/c2c(C)cnn2C)s/c1=C(\C#N)C(=O)N1CCOCC1 285189186 OLZAIZBHJYPUFG-ZPIILZMASA-N 399.476 -0.500 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC2(N3CCCC3)CCOCC2)C1=O 286313720 XDSBWNZYTACROY-MRXNPFEDSA-N 392.500 -0.007 30 20 GBED C=CCn1c(=O)/c(=C\c2nn(CC)nc2C)s/c1=C(/C#N)C(=O)NC1CC1 297579332 RYBZFTYTNCWURO-OXMMFGQASA-N 384.465 -0.203 30 20 GBED C[C@@H](O)CN(C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[C@H](C)CO 297599446 ANPBQXSXVMUGJV-ZIAGYGMSSA-N 375.429 -0.808 30 20 GBED CCS(=O)(=O)N1CCN(/C(O)=N/[C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 329799019 GXNUZGZXCVDILA-ZDUSSCGKSA-N 398.489 -0.203 30 20 GBED CCN(CCC/N=C(/O)N[C@H]1CCCN(S(C)(=O)=O)C1)S(C)(=O)=O 330450479 XYXXHQDUXZLSDF-LBPRGKRZSA-N 384.524 -0.414 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O 349454379 GQTAVUVHMIORJC-CYDGBPFRSA-N 392.503 -0.876 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H](C)C#N)ccc1C#N 349571753 GUIYKXFFODJTMH-LLVKDONJSA-N 385.471 0.473 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CCO1 410157585 ZPFPMCXIXFMDBV-GOEBONIOSA-N 394.453 -0.275 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@@H]5O)CC2)c1C#N 410751633 XOSBMWGKJWYMEK-GFISCPRKSA-N 398.467 -0.524 30 20 GBED C[C@@H](O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 444392888 QYXUTPFQLIDIKA-CQSZACIVSA-N 380.470 -0.296 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCC(F)(F)F)C[C@H](O)CO)C1=O 534541189 OYVXCTPENIRXQR-VIFPVBQESA-N 381.307 -0.903 30 20 GBED Cc1cc(=NC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)[nH]n1CCC#N 540290485 HSKKHHPIDFODKG-UHFFFAOYSA-N 389.445 -0.752 30 20 GBED C=CCOC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)O 577507778 VHCPNJAARDDAKX-CYBMUJFWSA-N 392.455 -0.129 30 20 GBED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)n1 581854581 JCNQKSZJZHOITK-NSHDSACASA-N 380.368 -0.687 30 20 GBED COC(=O)C1(NS(=O)(=O)c2ccc(S(=O)(=O)N[C@@H](C)C#N)cc2)CC1 582557144 UWTBQZFRQUECEM-JTQLQIEISA-N 387.439 -0.139 30 20 GBED COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H]1CS(N)(=O)=O 593573879 HXALOADLOKGOSY-LLVKDONJSA-N 387.439 -0.214 30 20 GBED CN(C)S(=O)(=O)NCCNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 596614810 ZMRQEXOACRXBLA-ZDUSSCGKSA-N 382.446 -0.488 30 20 GBED CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 609282870 BTMLNVKOBBEQTN-AWEZNQCLSA-N 385.424 -0.236 30 20 GBED COCc1nn(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(=O)o1 759724322 LLNZJKOGUTZZHG-UHFFFAOYSA-N 393.425 -0.182 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@H](C)c2nnnn2-c2ccccc2)CC1 761039074 UDZJKBRBFDKALU-CQSZACIVSA-N 375.458 -0.192 30 20 GBED Cn1cc(S(=O)(=O)NN=CCCNC(=O)OC(C)(C)C)c(=O)n(C)c1=O 771890261 OTKYXDZJGHLLAV-UHFFFAOYSA-N 389.434 -0.737 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCCN1CCCS1(=O)=O 773112397 YDCPGMXDHKXRLH-UHFFFAOYSA-N 387.439 -0.696 30 20 GBED C=CCS(=O)(=O)CCNC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 783012066 CVRNSSRZENYCMJ-UHFFFAOYSA-N 379.504 -0.157 30 20 GBED C#CCn1ccc(CN(CC)CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)n1 789326185 PZWOLXUURGQZPF-AWEZNQCLSA-N 381.458 -0.649 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCc1ccc(OCCO)c(OC)c1)[C@H]1CCCO1 809313873 WGYXXXKOLWNZEN-HUUCEWRRSA-N 376.409 -0.021 30 20 GBED C#CC[C@@H](NC(=O)c1ccc(C(=O)N[C@H](CC#C)C(=O)OC)nc1)C(=O)OC 837948575 WZRPJXSTKGIPTC-HUUCEWRRSA-N 385.376 -0.329 30 20 GBED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H]1CCCN(O)C1=O 848135364 MKWVUXOEFVGYTL-NEPJUHHUSA-N 384.433 -0.002 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1cn[nH]c1)[C@H]1CCCO1 848962879 BDFIRYSUNQSWBE-QWHCGFSZSA-N 376.460 -0.358 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1C(=O)OCC1(C)C 848964425 QOXZHHPCRORWNU-WDEREUQCSA-N 381.476 -0.579 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1nnc(C)o1 960332772 AXUWRDXZMWBXCY-CBBWQLFWSA-N 376.413 -0.050 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2nccnc2N)C1 961959682 CEESRXMQIJRJED-XFMPKHEZSA-N 375.429 -0.268 30 20 GBED CN1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(C#N)cn2)S1(=O)=O 1055223810 VSYUSMAZPFHTJI-RFGFWPKPSA-N 376.442 -0.392 30 20 GBED CN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccncc2C#N)C1=O 1055389505 HLPFYDZYGZZIFX-BZPMIXESSA-N 382.380 -0.400 30 20 GBED N#CCN[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C[C@@H]1n1ccnn1 1070272496 OYXPBPGVXHJNJS-QXSJWSMHSA-N 387.444 -0.687 30 20 GBED CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1118183927 QUXRCCHNELQINY-LJQANCHMSA-N 393.488 -0.734 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NC(C)C)C1 1130009540 VAIDVHYHXCQAOS-WCVJEAGWSA-N 376.461 -0.265 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(=O)NCC(C)C)C[C@H]1O 1196275420 BDTNASVJYHGZRC-TUVASFSCSA-N 382.461 -0.779 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC(=O)NCC)C[C@H]1O 1196804035 SNIFZNBKEQJELC-NHIYQJMISA-N 382.461 -0.635 30 20 GBED C=CCN(CC=C)C(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1C[C@H]1C(N)=O 1218638864 NKDHKKWILAHLDX-FXUDXRNXSA-N 376.457 -0.780 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1)[C@H]1CCCO1 1321208245 HMNJIMJTMGIKPN-LSDHHAIUSA-N 386.408 -0.602 30 20 GBED C=CC[C@H](NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)OCC 1325352416 NWXGUICBNKBFFQ-NSHDSACASA-N 377.401 -0.552 30 20 GBED CN(C)C(=O)CCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1329418622 JDKYJSIUBNIDFP-MRXNPFEDSA-N 399.451 -0.240 30 20 GBED N#Cc1ccccc1OC[C@H](O)CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 1334973199 SCTJJHVWJHTKLZ-ZACQAIPSSA-N 395.481 -0.927 30 20 GBED C=CCn1c([C@@H](C)CO)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1339774515 MUHKIJFWNPTSGX-HNNXBMFYSA-N 378.477 -0.459 30 20 GBED C=CCOCC(=O)N[C@H](C)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1573343597 QWGHKDPIGHEJLT-BXUZGUMPSA-N 389.416 -0.257 30 20 GBED CC#CCN1CCN(C(=O)[C@H](C)OCc2cnn[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1575122006 BMHDJAWHPXWHCO-AEGPPILISA-N 381.458 -0.957 30 20 GBED N#Cc1cncc(N2CCCO[C@@H](CNC(=O)CCOCc3cnn[nH]3)C2)n1 1577719207 MHIFAWSFFWGACM-HNNXBMFYSA-N 386.416 -0.215 30 20 GBED N#CCSCC(=O)NCC1(O)CN(Cc2ccc(-c3nn[nH]n3)s2)C1 1581858643 OTWUMRUXZHQVJW-UHFFFAOYSA-N 379.471 -0.152 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1C 1588354664 USPTXGZEISTFRN-JQWIXIFHSA-N 384.400 -0.947 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588406971 ZGQSRAZZHULMQB-QMTHXVAHSA-N 388.432 -0.100 30 20 GBED C=C[C@@H](O)c1nnc(N2CCN(c3c(-c4nn[nH]n4)c(C)nn3C)CC2)n1C 1588525811 LACKUFQSYYBZRD-LLVKDONJSA-N 385.436 -0.417 30 20 GBED C=CCN1CC[C@@H](N2C[C@H]3[C@H](NC(=O)c4c[nH]c(-c5nn[nH]n5)c4)[C@H]3C2)C1=O 1588654263 CJVVTSKFZGFLAS-OSRDXIQISA-N 382.428 -0.358 30 20 GBED C=C[C@@](C)(O)CC(=O)NCCN1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 1602791758 AODFBXJPMKNUCH-GOSISDBHSA-N 386.460 -0.173 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)cc1 1602904892 MSMLQYROYOBMCL-QWRGUYRKSA-N 383.426 -0.142 30 20 GBED C=CCOC[C@@H](NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C)C(=O)O 1602912703 BHNZHJWIULLTLC-LLVKDONJSA-N 376.369 -0.674 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cnnn1C 1761483069 RGXGVZIJATZHOL-IINYFYTJSA-N 397.440 -0.493 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1778247613 JNHMFYWBMXQNQH-JXFKEZNVSA-N 384.388 -0.092 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783164733 CJULCJZTMDTZNW-QWQRMKEZSA-N 380.445 -0.247 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1783566814 JZLSTHKXWVNNLO-SFHVURJKSA-N 387.348 -0.658 30 20 GBED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1786703652 ZWJZOVFPXTXVRU-ULQDDVLXSA-N 378.473 -0.008 30 20 GBED COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1788774415 SRBYFVUXFPDWOD-JONQDZQNSA-N 380.445 -0.579 30 20 GBED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC)NC(C)=O)C[C@@H]21 1792172680 CXSHYPQMWMUYCY-NXOAAHMSSA-N 379.457 -0.469 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1 1795438427 AJLYXVJUHCXTLF-XLMAVXFVSA-N 381.473 -0.501 30 20 GBED CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1)C(=O)O 1798693944 ISMQAIIMDHPHDF-FAXLKDOZSA-N 389.412 -0.848 30 20 GBED Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)cn2[nH]cnc(=O)c12 1801988490 FZXNAGIKWWGZIP-CLLJXQQHSA-N 397.391 -0.329 30 20 GBED C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1831319814 FMQDNBOTTQNNMG-KRWDZBQOSA-N 395.525 -0.030 30 20 GBED C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1831614255 GWGAQCUWMISAIC-LIRRHRJNSA-N 392.456 -0.352 30 20 GBED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835356688 GPPIAZUPRHACCC-KSSFIOAISA-N 395.460 -0.546 30 20 GBED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)nn1C 1835359095 XFYVEUIFCHZILC-SFHVURJKSA-N 391.428 -0.198 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1837400318 CWDSTAGGVQLMJP-ZRGWGRIASA-N 397.472 -0.850 30 20 GBED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1839165881 YETVGASQPHPGHC-VQIMIIECSA-N 379.457 -0.229 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccco3)C2)C1 1840040897 DHJDQJDJAWSZQF-GNAXCBTBSA-N 388.376 -0.163 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840160812 SRDHMLHETUCOMD-MQIPJXDCSA-N 388.490 -0.792 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=COCC3)CCO2)C1 1840559055 OOLVMDDNTKHSTM-KXBFYZLASA-N 378.425 -0.215 30 20 GBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)CNC(=O)c2cccs2)C1 1842065388 OYQYXDILDJLREN-UHFFFAOYSA-N 375.406 -0.231 30 20 GBED C/N=C(/NCCN1CCOCC1(C)C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 261758910 MRIQRWZHDYZTEH-LJQANCHMSA-N 394.520 -0.017 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1cc[nH]n1 276554658 IHAKBMNLGNPEPZ-SQOMMQFJSA-N 388.446 -0.027 30 20 GBED CN1CCN(C(=O)C2CCN(/C(O)=N/[C@H]3CCc4ncnn4C3)CC2)CC1 329456477 QCSTZMOQLVXDSL-HNNXBMFYSA-N 375.477 -0.007 30 20 GBED CCn1cnnc1C/N=C(/O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 329570204 UMRQMBXSUBDWLB-ZDUSSCGKSA-N 386.478 -0.162 30 20 GBED COCCN1CCCN(/C(O)=N/[C@@H]2CCCN(S(C)(=O)=O)C2)CC1=O 329882348 PUWAEMNZCKBJHX-CYBMUJFWSA-N 376.479 -0.495 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3[C@@H]4CNC[C@@H]43)CC2)cc1 333765207 BCJSHLQQVOQOPM-ZSHCYNCHSA-N 375.454 -0.208 30 20 GBED Cc1nc(C)n(C2CN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)C2)n1 349478676 KVJOLLHDXWDDBW-JTQLQIEISA-N 390.491 -0.697 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 349500907 HNCJPMRNVGAHDZ-AWEZNQCLSA-N 389.503 -0.836 30 20 GBED C=CCNC(=O)NC(=O)CN1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 364620516 UAPVEFOPQVFCPP-ZDUSSCGKSA-N 376.479 -0.629 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1 374222304 FLHFYCWSOHWEOP-STQMWFEESA-N 388.390 -0.273 30 20 GBED CNC(=O)N[C@@H]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 468721818 DEXNJCSFPXDJBR-CYBMUJFWSA-N 379.442 -0.060 30 20 GBED COC(=O)[C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 490001716 UQUNRYWWOPOOBT-KFWWJZLASA-N 387.458 -0.254 30 20 GBED N#CCNC(=O)CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 511057298 JGGVAILZRYFRIO-UHFFFAOYSA-N 386.455 -0.611 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@](C)(CO)[C@@](C)(CO)C3)CC2)o1 528753870 XZIVMUDLJNXWNF-KDURUIRLSA-N 391.472 -0.184 30 20 GBED C=CC[C@H](CO)CNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 538221751 HXZQVRZMJPZZFM-STQMWFEESA-N 381.454 -0.012 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(C[C@H]3CCCO3)CC2)C1=O 590496505 JACTXXDUZWWVCM-CQSZACIVSA-N 378.429 -0.324 30 20 GBED COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCCS(=O)(=O)NC1CC1 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-0.664 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 872514912 CXVPGLZBHHBHJB-ZIAGYGMSSA-N 378.520 -0.706 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](CS(C)(=O)=O)C2)c1=O 917465227 NSUPLGXUHXZWIH-CQSZACIVSA-N 398.485 -0.742 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)[C@H](OC)C2)nn1 942529932 ICSZRQMMNAIECO-ZNEHSRBWSA-N 385.428 -0.054 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H]2CC[C@@H](C(N)=O)C2)c1 960960757 OVQFKZMILBKNGY-BFJAYTPKSA-N 385.424 -0.160 30 20 GBED C=CCn1cc(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)C[C@H]32)nn1 1021692655 YGEVXCOANMITDP-YALNPMBYSA-N 388.472 -0.144 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(CCOC)nn2)C1 1023704893 XONQJDSEBAPSDQ-XNISGKROSA-N 393.444 -0.793 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)nc2O)C[C@H]1O 1025711468 VJCPFYLBIQJBLV-NGFQHRJXSA-N 388.424 -0.048 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnnn2-c2ccccc2)C[C@@H]1O 1083789985 IUGGFRLMRZRLKJ-NCOADZHNSA-N 384.440 -0.085 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1COc2cc(OC)ccc2C1 1117583864 KMRKYILEUMQTSG-CYBMUJFWSA-N 382.438 -0.168 30 20 GBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 1193848777 ATHMSNOQYBNAPK-KONPQCLYSA-N 391.472 -0.649 30 20 GBED C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1 1261342714 HUFVLOPUTPREBE-KDOFPFPSSA-N 379.436 -0.394 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1 1322010659 OPHHVYFIRYDTBY-LJQANCHMSA-N 387.415 -0.084 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)NCCNS(=O)(=O)Cc1ccccc1 1332741212 IXXOBZVYJGXVSC-UHFFFAOYSA-N 375.450 -0.293 30 20 GBED N#Cc1ccc(F)c(CNC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)c1 1333744422 MXJACZOLRQHSSQ-UHFFFAOYSA-N 398.416 -0.908 30 20 GBED C=C[C@](C)(O)CC(=O)NCC1(NC(=O)CC(=O)NCc2cnn[nH]2)CCC1 1575073981 UBBSIOXDPFCMJA-INIZCTEOSA-N 378.433 -0.707 30 20 GBED C=CCCC(=O)N1CCN(C(=O)CCCc2cnn[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1575085046 DLCLSLVWYVQCDZ-LSDHHAIUSA-N 395.485 -0.070 30 20 GBED C[C@@H](C(=O)NCc1cnn[nH]1)N1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 1575221027 DIKGMYXMYRUKMP-LBPRGKRZSA-N 382.428 -0.143 30 20 GBED O=C(CN[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C(F)(F)F)NCc1cnn[nH]1 1577948902 WYDNULXDOXRLOO-CHWSQXEVSA-N 384.362 -0.187 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNCc1cc(F)ccc1-c1nn[nH]n1 1588357670 OLEZANUVRDCCCB-FZMZJTMJSA-N 376.392 -0.389 30 20 GBED N#CCSCC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1592680389 KVHWGCDVXHKJGR-OAHLLOKOSA-N 390.429 -0.855 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CCC(=O)O)cc1 1606077168 SMRUFYAWKPYKSZ-UHFFFAOYSA-N 375.428 -0.074 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)Nc1cnn(-c2ncccc2-c2nn[nH]n2)c1 1609052905 VFODBGSKKZFRNH-JTQLQIEISA-N 383.372 -0.297 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1779074919 FEVNJMSMSNLPFH-APWZRJJASA-N 394.424 -0.276 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](COC)NC(C)=O)C3)C2)C1 1779311351 PCNGDHNVBIOIJO-QFBILLFUSA-N 379.457 -0.066 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1781267685 XLAAHTIFOAANDB-KUHUBIRLSA-N 393.440 -0.396 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(C)=O)C[C@@H]21 1784483148 LUJVHSXOLXIYJC-IWCQGFGOSA-N 379.457 -0.469 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784601566 OILVAFBGRONSRI-GLJUWKHASA-N 392.460 -0.363 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCOCCOCCOC)C[C@@H]21 1790794739 KLCZBKHGTKNJLB-ULQDDVLXSA-N 382.457 -0.331 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=S)NCC)C2 1793361495 PAUKKCPNEBISEK-AYDFFVQHSA-N 398.529 -0.349 30 20 GBED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=N)N)C3)c1 1799799074 CUBKRWYVOMDCDR-SCAQPMJSSA-N 384.440 -0.447 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn(C(F)F)n1)C2 1800777786 BMCPOHRCGHREDE-WDAIWFPHSA-N 382.323 -0.431 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3c(c1)CCO3)C2 1800779097 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398.463 -0.097 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C1=O 267903909 BGNYYOFMPPLIRS-UHFFFAOYSA-N 397.453 -0.077 30 20 GBED CNC(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 268947277 WUFBSWVWOTZTGE-LBPRGKRZSA-N 379.442 -0.291 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCCCN(C)CCN(C)C)c1cc[nH]n1 293291410 HGNIADZKFMNRHG-LTGZKZEYSA-N 382.465 -0.307 30 20 GBED CCNS(=O)(=O)[C@@H]1CCN(/C(O)=N/C[C@@H]2CCN(S(C)(=O)=O)C2)C1 329125410 SWNAJVKZMGIIHH-NWDGAFQWSA-N 382.508 -0.805 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2C[C@H](C)[C@H](O)C2)c1C#N 349530800 ZEIYLODOPUGGDN-JOYOIKCWSA-N 391.475 -0.636 30 20 GBED N#CCN(C1CCCC1)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](O)C1 349531422 IOMOBJVIAQSWLS-AWEZNQCLSA-N 379.504 -0.129 30 20 GBED CN1CC[C@@]2(CCN(S(=O)(=O)CCCCS(=O)(=O)NCC#N)C2)C1 349600865 NEUXUOXKHZSQCR-CQSZACIVSA-N 378.520 -0.433 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 374593487 MXCQLPBCUFFEET-KBPBESRZSA-N 394.519 -0.408 30 20 GBED N#Cc1cccc(CCNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)c1 419715643 ZJEGMAALHIJCMQ-QGZVFWFLSA-N 383.452 -0.360 30 20 GBED CS(=O)(=O)N1CC(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 489515393 RLFQGPAMAUTVSH-UHFFFAOYSA-N 378.458 -0.324 30 20 GBED N#Cc1ncn(CCNS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)n1 511425123 KKKYCDVBKKIOJT-UHFFFAOYSA-N 379.793 -0.038 30 20 GBED C=CCN(C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)[C@@H]1CCS(=O)(=O)C1 516252177 RAGIKLYSSZOFHY-LLVKDONJSA-N 394.453 -0.609 30 20 GBED CO[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N[C@@H](C)C#N)cc2)C[C@H]1O 573219683 KKBCCUIDEJUECF-ZLKJLUDKSA-N 389.455 -0.743 30 20 GBED C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 576879086 HZZQAMDZXDCPSD-MNOVXSKESA-N 378.410 -0.342 30 20 GBED COC(=O)[C@H]1C[C@H](OC)CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 581072946 BBUNUMXTFYDZQK-GXTWGEPZSA-N 381.410 -0.375 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCC[C@H]2O)c1 583883465 RCONRKPTVQINDD-HUUCEWRRSA-N 398.466 -0.084 30 20 GBED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)n1 589415921 LHELIMWGHWHRSN-RYUDHWBXSA-N 379.380 -0.043 30 20 GBED C[C@H](N)[C@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCO1 591578203 VEQSWMZPXQUUIS-RYQLBKOJSA-N 385.468 -0.202 30 20 GBED COC(=O)[C@@H]1CNCCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 592549713 BIQNWRUHCKUETG-AWEZNQCLSA-N 380.426 -0.800 30 20 GBED N#CCC1(CNC(=O)C(=O)N2CCC(N3C[C@H](C(=O)O)CC3=O)CC2)CC1 593776804 JXFOTOOVYUVILM-GFCCVEGCSA-N 376.413 -0.279 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCc3c2cnn3CCO)C1=O 623220789 RZQYHLJXQLXFHZ-LBPRGKRZSA-N 375.385 -0.654 30 20 GBED C#C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@@H]1CCCO1 775325579 CPORMNCJBLCGDX-KCXAZCMYSA-N 391.449 -0.016 30 20 GBED CN(C)c1c(C=NNC(=S)NCCc2ccccn2)c(=O)n(C)c(=O)n1C 807967865 KKQAQYFUDODWQP-UHFFFAOYSA-N 389.485 -0.414 30 20 GBED CCOC(=O)CON=C(C(=O)N[C@@H]1CCc2nnnn2CC1)c1cc[nH]n1 817699765 DNNVOAHMHBAKCF-SNVBAGLBSA-N 376.377 -0.799 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CN(CC#C)C(=O)OC(C)(C)C)CC1 825968249 RPXDYGXVHYMFRD-UHFFFAOYSA-N 376.457 -0.250 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C(=O)OCC)C3(COC3)C2)C1=O 839366862 MFUSVGJYTXDSIR-KBPBESRZSA-N 393.440 -0.730 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCCS(=O)(=O)N1CCCNC(=O)C1 848968730 HBBHFVCHJUIQKN-UHFFFAOYSA-N 394.519 -0.518 30 20 GBED CCCCCCCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 859281878 YKHFBXJHTCKWGE-UHFFFAOYSA-N 396.488 -0.397 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2OC)CC1 872514876 BVLFGTAYEYWPMG-UHFFFAOYSA-N 391.446 -0.392 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1 968389508 MKPQFXWAYBFHQW-YXPYIKCWSA-N 390.440 -0.304 30 20 GBED C#CCSCCNC(=O)C(=O)NCc1cccnc1N1CCN(C)CC1 1117158215 GJAAXMFZIZHDNE-UHFFFAOYSA-N 375.498 -0.068 30 20 GBED C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 1118307701 MREDABBQVIGYGQ-YRGRVCCFSA-N 395.437 -0.081 30 20 GBED Cn1nccc1[C@@H](O)C1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 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-0.201 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21 1788573596 AHKHJFKSPIPYOF-YHUYYLMFSA-N 384.473 -0.452 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N(C)C(C)=O)C2 1793343223 PFYGBHKPVMXKSQ-AYIQCDPPSA-N 379.457 -0.519 30 20 GBED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N)N1CCN(C)CC1 1795420032 SRTOXQCUOTVHKX-XLMAVXFVSA-N 377.489 -0.484 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@H]2CCC(=O)NC2)[C@@H]1c1cccnc1 1802611275 BIGROBCMFGMWOU-VCBZYWHSSA-N 398.419 -0.298 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)N(C)C)C3)C2)C1 1829661291 RWVAABYEULDWRB-IBGZPJMESA-N 394.472 -0.320 30 20 GBED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1831225449 UHQZIDXSLSZDJW-IBGZPJMESA-N 387.440 -0.462 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1833478560 OKSAOFWPJLKCJU-GOSISDBHSA-N 377.397 -0.268 30 20 GBED Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cs1 1834458790 DSKYGYFJLPHOPZ-QGZVFWFLSA-N 393.421 -0.390 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(C)=O)CCO2)C1 1834864929 VDFZXKBTUHTLPA-VQIMIIECSA-N 380.441 -0.150 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC=CO1)CCO2 1837418801 KKSKJKAMTVYTKA-KSSFIOAISA-N 378.381 -0.777 30 20 GBED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1839649109 YGNDWBIGGSBYNC-XHPFXEFZSA-N 385.486 -0.199 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1840166207 XYDPZMMNRUPYEB-FZKQIMNGSA-N 395.481 -0.018 30 20 GBED O=C1CN(CC(=O)N2CCCC23CN(C(=O)C#Cc2ccccc2)C3)C(=O)N1 1841891418 VOJQWCCYNONFKU-UHFFFAOYSA-N 380.404 -0.207 30 20 GBED CN[C@@H](CC(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)C(=O)O 1842951633 VKRBHNICWGOKKB-DIDNWDTISA-N 396.444 -0.219 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)N1CCN(C)CC1 1847806867 YNTWMUDMOYBIIF-OWSLCNJRSA-N 376.501 -0.138 30 20 GBED C[C@](C#N)(NC(=O)CN(CC(=O)N[C@@](C)(C#N)C1CC1)S(C)(=O)=O)C1CC1 47613856 JTGHVANWTUTEAM-CALCHBBNSA-N 395.485 -0.135 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2c(CC)nn(C)c2OC)C1=O 289828725 UITFWDUZUJSJIQ-AWEZNQCLSA-N 377.445 -0.147 30 20 GBED C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CN1CCN(C)CC1 290765942 ILYMJANJLWCSPM-HNNXBMFYSA-N 393.513 -0.164 30 20 GBED CCN(C1CCN(/C(O)=N/CCC(=O)N2CCOCC2)CC1)S(C)(=O)=O 330701574 ZENIGRNCVBCXKQ-UHFFFAOYSA-N 390.506 -0.105 30 20 GBED C[C@H]1c2nncn2CCN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N 349453801 FRWDWPLZQBBCCM-NEPJUHHUSA-N 390.491 -0.452 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)C(=O)[C@@H]1C 349501950 IYFCKTIUSVXOHB-LBPRGKRZSA-N 380.492 -0.956 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N[C@]2(C#N)CC2(C)C)C[C@H]1O 349518347 GXOAOHPPRYQLQW-BZPMIXESSA-N 379.504 -0.369 30 20 GBED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 409665381 JHUCUHWSVPVBDJ-UONOGXRCSA-N 375.433 -0.898 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)NC[C@H]3CS(=O)(=O)CCO3)CC2)c1 509137050 KXZMKFBOODRQKB-AWEZNQCLSA-N 379.442 -0.402 30 20 GBED COC(=O)[C@@H](CN1CCOCC1)NS(=O)(=O)c1c(F)cc(C#N)cc1F 568470045 QPNLAFMDPVQLFE-CYBMUJFWSA-N 389.380 -0.011 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 582073426 DDAAODYZOQGUOH-HIFRSBDPSA-N 378.454 -0.465 30 20 GBED CCN1C[C@H](CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1=O 593933500 CWCPOUOVOJGOCS-HNNXBMFYSA-N 384.440 -0.414 30 20 GBED C[C@@H](N)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)CCO1 595990375 QHRFBBZGSPNWBD-OCCSQVGLSA-N 377.470 -0.157 30 20 GBED CCOC[C@@H]1CN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)CCO1 599544172 JJKPHFIJHLWVAL-INIZCTEOSA-N 387.440 -0.134 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N(C)CCOCCN)CC2)c1C#N 600800806 PECBBYXILFTYRF-UHFFFAOYSA-N 380.474 -0.595 30 20 GBED Cc1nsc(N2CCCN(C(=O)C(=O)N3CCN(CCC#N)CC3)CC2)n1 601468616 DFHGEFKAEXPIAI-UHFFFAOYSA-N 391.501 -0.057 30 20 GBED N#C[C@@]1(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCSC1 603885880 MNXCJTUVJSBTQH-INIZCTEOSA-N 394.478 -0.064 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 609457512 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CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccc(F)cc1OCC#N 850606199 RSPAIEAVXAXOLP-YPMHNXCESA-N 385.373 -0.405 30 20 GBED C[C@H](CC(=O)N(CCO)CCOCCO)/N=C1/NS(=O)(=O)c2ccccc21 862246570 RBGOMVNZYMXIGU-CYBMUJFWSA-N 399.469 -0.667 30 20 GBED C[C@@H](CC(=O)N(CCO)CCOCCO)/N=C1/NS(=O)(=O)c2ccccc21 862246576 RBGOMVNZYMXIGU-ZDUSSCGKSA-N 399.469 -0.667 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)COC)CC2)cc1 915705595 LCTUOJAVRHNXRK-UHFFFAOYSA-N 393.465 -0.035 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2CCCCC2=O)[C@H](OC)C1 942712759 ILFGYYHTUVCCPU-LVQVYYBASA-N 379.457 -0.068 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(C(N)=O)[nH]1 960961611 MWBOBURYGRZHMF-IPOQPSJVSA-N 388.424 -0.244 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 975287614 LOGSVXKHIQCHTN-TUVASFSCSA-N 390.440 -0.421 30 20 GBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCc1ncnn1C 1109911556 ZQWQVBZTBKFWMN-KBXIAJHMSA-N 376.461 -0.256 30 20 GBED 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C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncon3)CCO2)C1 1838316888 LBOHIXDYQSYGIU-SCLBCKFNSA-N 394.428 -0.287 30 20 GBED Cc1n[nH]c(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042510 YMXPIVHKWJZIGD-SFHVURJKSA-N 390.396 -0.815 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1840844492 YTJZFZUJVGVHIE-YJBOKZPZSA-N 398.481 -0.567 30 20 GBED N#CC1(C(=O)N2CC3(CCCN3C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1841893813 RAWGFQHHONRTPP-UHFFFAOYSA-N 380.470 -0.776 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cc(C(=O)O)ncn2)C1 1842215946 JLWQLCXGTSCMQC-PLNGDYQASA-N 399.407 -0.150 30 20 GBED O=C1CN(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C/N=C/c2ccco2)C(=O)N1 1848067194 FGIMJSOREOGWMZ-UUYMMEPTSA-N 387.396 -0.548 30 20 GBED CN(C)C(=O)C/N=C(/NCC(=O)N(C)C)N1CCN(c2cccs2)CC1 262336518 WFHSACHVWVUSLE-UHFFFAOYSA-N 380.518 -0.008 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2nnc(S)n2C(C)C)C1=O 264617904 OGVAKCSEIZOOBW-UHFFFAOYSA-N 380.430 -0.217 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCCN1CCC(N(C)C)CC1)c1cc[nH]n1 278046460 SQHWPUCOUYMCIQ-OQKWZONESA-N 394.476 -0.164 30 20 GBED CN(C)C1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccc2C#N)C1 349504686 QUSNVUDTKKFDTR-UHFFFAOYSA-N 387.487 -0.339 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C)C[C@H]3CCC[C@H]3O)CC2)c1C#N 410835981 PPOZTLGUMUCRPM-GDBMZVCRSA-N 388.472 -0.132 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2C[C@H](c3ccccc3)[C@@H](C(N)=O)C2)C1=O 414589090 QFUVILBYRIPGNR-IXDOHACOSA-N 398.463 -0.041 30 20 GBED C=CCOC[C@H](NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)OC 435937114 QOPURRAUFLATSD-GHEKHTLGSA-N 380.397 -0.602 30 20 GBED CNC(=O)Cn1nc(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1C 442238526 AUNBUMAEMGOVCH-UHFFFAOYSA-N 396.407 0.038 30 20 GBED N#C[C@@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 471245767 WSCIQSHYDJDDMB-CQSZACIVSA-N 396.444 -0.117 30 20 GBED C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN(C)C 552312063 OEWDJNHAOFZRHL-ZDUSSCGKSA-N 395.485 -0.639 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC1(C(N)=O)CC1 568255793 CZFLHUYPJRYTMC-SNVBAGLBSA-N 386.455 -0.485 30 20 GBED CN(C)S(=O)(=O)N(C)CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 582364632 MZXMRBSGXNBBSL-HNNXBMFYSA-N 393.469 -0.486 30 20 GBED CCS(=O)(=O)NCCNS(=O)(=O)c1ccc(C#N)cc1C(=O)OC 593527611 ARTHUWBJVXYWOZ-UHFFFAOYSA-N 375.428 -0.438 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 728534044 DPULKWKKEWBLOU-HOTGVXAUSA-N 388.468 -0.555 30 20 GBED C=CCOCC(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 729765968 WVFBPRNVFRBVTO-KBPBESRZSA-N 375.443 -0.073 30 20 GBED C#CCOCCC(=O)OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 756304993 IAAUIDOTTPMFFK-UHFFFAOYSA-N 386.412 -0.405 30 20 GBED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccn(C)c2)c1=O 763460453 JCPNPOFCPNGNAC-UHFFFAOYSA-N 399.476 -0.882 30 20 GBED C#C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1)[C@@H]1CCCO1 773797336 RHMBMQNFQZENAE-CABCVRRESA-N 387.392 -0.175 30 20 GBED C#CCC[C@H](O)CNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 799074363 GTOUSUINZIXDFL-ZDUSSCGKSA-N 381.454 -0.325 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)CCNS(=O)(=O)c1cccs1 800951827 UHOAESDINVYPFY-UHFFFAOYSA-N 375.428 -0.029 30 20 GBED C#CCCCc1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1CC1CC1 910423744 ZVBLKVKYJUNJLS-UHFFFAOYSA-N 383.460 -0.021 30 20 GBED C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)C1 923589236 PKVCJUNGMCLTIC-HNNXBMFYSA-N 394.497 -0.127 30 20 GBED C#CCN1CCN(C(=O)CN2CCN(c3nc(N)nc(C4CC4)n3)CC2)CC1 933558572 ARXSPGITRSZYGY-UHFFFAOYSA-N 384.488 -0.769 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1058232342 MIIQDBODQVPEQF-SUMCQTLJSA-N 393.484 -0.182 30 20 GBED N#Cc1ccc(F)c(CN2C[C@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)c1 1083775951 RIJUNRXLNNQIFJ-FXUDXRNXSA-N 376.388 -0.608 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCN1C(=O)CNC1=O 1111380253 XVYVTIWBESLXTA-MCIONIFRSA-N 377.445 -0.658 30 20 GBED CC(C)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1=O 1117372454 QFVHYSFCVYCZTA-UONOGXRCSA-N 399.455 -0.489 30 20 GBED C[C@H](C(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1)n1cnc(C#N)n1 1182390856 QRTBMCJPNDLEAH-GFCCVEGCSA-N 387.444 -0.327 30 20 GBED C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCCS1(=O)=O 1301966201 SGQBKTWGIOJAAY-CHWSQXEVSA-N 395.489 -0.139 30 20 GBED CN(CCOCCO)C(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1324871900 IBQROPJLHIHYRZ-UHFFFAOYSA-N 378.404 -0.187 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1)[C@H]1CCCO1 1325472955 DGIOTMIOAOXBLR-DZGCQCFKSA-N 389.412 -0.475 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCCN2C(=O)COc3ccccc32)nn1 1325962824 GCYTWKHEUBQYOG-UHFFFAOYSA-N 384.396 -0.378 30 20 GBED CS(=O)(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1 1330202724 MPQIGAWJPMMEOW-AWEZNQCLSA-N 376.438 -0.012 30 20 GBED CCc1nncn1CCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1342542340 ZCOOLOSRSARGND-UHFFFAOYSA-N 399.459 -0.781 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CC1 1346151508 DSSGTQCSJBHBJM-UHFFFAOYSA-N 386.518 -0.365 30 20 GBED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)N[C@](C)(C#N)CN(C)C 1349498065 AHCMXXJIZDJMAT-QGZVFWFLSA-N 382.432 -0.176 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2CCOC[C@@H]2CCO)CC1 1356410903 WKNXCRFEFQKICL-AWEZNQCLSA-N 390.415 -0.044 30 20 GBED C#CCNC(=O)CNC[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573286359 ZNDMVGXLIBWSKP-TZMCWYRMSA-N 384.444 -0.178 30 20 GBED C#CCNC(=O)CN1CCC[C@](C)(CNC(=O)[C@H](C)OCc2cnn[nH]2)C1 1575005211 XIOINKKHUVTABD-KBXCAEBGSA-N 376.461 -0.323 30 20 GBED CC(C)(CC#N)CNC(=O)N1CCN(S(=O)(=O)NCc2cnn[nH]2)CC1 1575294934 BYDOTFBWVYXFPJ-UHFFFAOYSA-N 384.466 -0.594 30 20 GBED N#Cc1nccc(N2CCOC[C@H]2CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 1581885291 VRJISWXRKCEJHP-LLVKDONJSA-N 380.372 -0.508 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)CCO1 1588358168 UJPNNUDHVBHZIP-QWHCGFSZSA-N 386.416 -0.675 30 20 GBED C[C@@H](NCC(=O)NCC#N)[C@@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1589959069 SLJQKKGPXITMRS-RISCZKNCSA-N 385.432 -0.193 30 20 GBED C[C@]1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCN(CC(=O)NCC#N)C1 1590131377 HAIVINBGALSROQ-QGZVFWFLSA-N 385.432 -0.334 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 1592666508 ZKQFHCOLJQGWPT-QWHCGFSZSA-N 375.414 -0.562 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2cc(-c3nn[nH]n3)nc(CC)n2)C[C@H]1O 1602792108 DQPBODONZIRKCA-PSTGCABASA-N 388.432 -0.788 30 20 GBED COC[C@@]1(C(=O)O)CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 1604551982 ZIICVLJMALZGGY-MRXNPFEDSA-N 397.409 -0.835 30 20 GBED N#CCc1ccccc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1653894425 OLLOVWUMUGBYKU-GJZGRUSLSA-N 399.494 -0.471 30 20 GBED CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1782641727 OKYSGOWHNPYGIW-KRWDZBQOSA-N 381.502 -0.150 30 20 GBED CCc1[nH]nc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1F 1783561529 WSAUUBLLUMFWJR-KRWDZBQOSA-N 378.360 -0.357 30 20 GBED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1 1785149015 BHFYQWLTYVXMHV-RVMXOQNASA-N 391.428 -0.886 30 20 GBED 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CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC#CCO)c1 294177598 JNLNMFXUOLQRFW-UHFFFAOYSA-N 381.454 -0.441 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)C1=O 297931578 SFVSHPJTIOJALM-HUUCEWRRSA-N 380.489 -0.465 30 20 GBED N#Cc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 299628790 IYUWPVVIKDJSAA-GJZGRUSLSA-N 385.467 -0.666 30 20 GBED CCS(=O)(=O)N1CCC(N/C(O)=N/[C@@H](C)CN2CCN(C)CC2)CC1 330484740 YQDGGMMNFSIXGJ-AWEZNQCLSA-N 375.539 -0.060 30 20 GBED CC#CCN(C)S(=O)(=O)CCCCS(=O)(=O)Nc1nnn(C)c1C 348484947 XLGURMDIOTVEAM-UHFFFAOYSA-N 377.492 -0.070 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C(=O)C2CC2)C1 349446985 HXBFBKZZCOKIDZ-UHFFFAOYSA-N 398.466 -0.311 30 20 GBED CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 349462273 SPKDQWXOHPEJPN-ZDUSSCGKSA-N 379.529 -0.068 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 349473985 JCMGJQDIYWRMLG-GHRCFYLDSA-N 391.515 -0.419 30 20 GBED CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(S(=O)(=O)CCCS(=O)(=O)NCC#N)C[C@@H]3C2 349478693 KYKBEEFLAVNQGM-HTVCTNPSSA-N 377.488 -0.496 30 20 GBED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCC#N 427867492 BTAADQPAPRWGKV-UHFFFAOYSA-N 396.425 -0.316 30 20 GBED COC[C@](C)(C#N)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 474263742 FTROKUXYEHBSHB-INIZCTEOSA-N 382.442 -0.288 30 20 GBED N#C[C@@]1(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCOC1 478641811 UPMRBCNBRRFKMP-INIZCTEOSA-N 378.410 -0.780 30 20 GBED CCCNC(=O)NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 600604351 HNOYBIPOPMEXBA-UHFFFAOYSA-N 393.400 -0.541 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(C(=O)N(C)C)C(F)(F)F)C1=O 622897485 ULQRFVZAZLOLHD-CYBMUJFWSA-N 378.307 -0.511 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 646953906 KPHFVIZXIGJFKC-QGZVFWFLSA-N 386.452 -0.097 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCn2cc(Br)cn2)CC1 728530383 BMKBKXMSEFVTPR-UHFFFAOYSA-N 382.262 -0.071 30 20 GBED C#CCN1CCN(C(=O)CN2CCCN(CC(=O)N(CC)CC)CC2)CC1 748815691 OVHFVYALUFKIHR-UHFFFAOYSA-N 377.533 -0.360 30 20 GBED C#Cc1cccc(NC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)c1 750258174 SLVZLXHDCNVPKE-UHFFFAOYSA-N 376.394 -0.170 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 761024890 REIJEWAYVGKHOH-OAHLLOKOSA-N 380.474 -0.999 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC 785152640 JQFFPAGGCBQMHF-UHFFFAOYSA-N 389.408 -0.128 30 20 GBED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)C(N)=O 788209755 RRAAJAGDFMLQGH-NWDGAFQWSA-N 382.442 -0.754 30 20 GBED C[C@@H](C(=O)NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)n1cnc(C#N)n1 798858404 NKGSLJHBWQRWFI-QMMMGPOBSA-N 388.365 -0.558 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCC[S@@](=O)C(C)(C)C 806191059 JTTNVKFSUYCSPJ-AREMUKBSSA-N 382.490 -0.082 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)CCO1 848507180 JDSOMVBLBMTVOM-QWRGUYRKSA-N 384.380 -0.154 30 20 GBED C#C[C@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCCn2ncnc21 848969336 JDMZNJRNKBGHOK-ZDUSSCGKSA-N 389.503 -0.119 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@@H]1O 964192193 ANPNGTPYELRANC-FQLMCAECSA-N 377.445 -0.204 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(C(=O)C(N)=O)CC1 977230524 YKFOVTZEGBXXNR-NYTXWWLZSA-N 392.456 -0.935 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@]2(C)C1 993464251 XJWFDTOHKZLVGA-SSHHRWTQSA-N 390.440 -0.564 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc3c(cnn3C)c2)C1 1025315233 QMHUVKJCBRSHDX-FPCVCCKLSA-N 385.424 -0.139 30 20 GBED Cn1cc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2N=c2cc[nH]c(C#N)n2)cn1 1047674750 HRMWOKZKZANFCY-ZOBORPQBSA-N 380.412 -0.968 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CCN(CCS(C)(=O)=O)CC1 1116916549 SUPUIBHXZGTMFP-ZDUSSCGKSA-N 380.536 -0.189 30 20 GBED C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1 1261342716 HUFVLOPUTPREBE-RDTXWAMCSA-N 379.436 -0.394 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)Cc2c(C)[nH]c3ccnn3c2=O)CC1 1318458895 AHATZHTXVABJJW-UHFFFAOYSA-N 384.440 -0.843 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(N3CCN(C)CC3)C2)c1 1321460987 FTJPALKVBJSZES-UHFFFAOYSA-N 376.482 -0.330 30 20 GBED COC(=O)C1(C#N)CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(C)=O)CC1 1331472207 MEWSHODBXXWGMP-CQSZACIVSA-N 378.429 -0.191 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 1335330727 XTGDBTXXXSCBAJ-NXVVXOECSA-N 382.442 -0.461 30 20 GBED CS(=O)(=O)C[C@H]1CCN(CC#CCN2CC[C@@H](CS(C)(=O)=O)C2)C1 1347538228 LQWQRKBZICHRKO-IYBDPMFKSA-N 376.544 -0.277 30 20 GBED Cc1nn(C)c(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1C#N 1531533891 IVFMFZANJYMYDL-SNVBAGLBSA-N 378.414 -0.296 30 20 GBED N#Cc1cncc(NC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCO2)n1 1581883083 IZIYBSPBLRFNBV-GFCCVEGCSA-N 380.372 -0.190 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[nH]n3)n2)C1 1588351518 XRBXJPRNRWVQET-ZFWWWQNUSA-N 381.444 -0.242 30 20 GBED C#CCNC(=O)[C@H](C)N1C[C@H]2[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C1 1588353255 MDOUMDSRQHEOIK-DOERSZECSA-N 382.428 -0.760 30 20 GBED C#CCNC(=O)[C@@H](C)NC[C@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588353425 ROMYSPWRXRHNOO-TZMCWYRMSA-N 384.444 -0.083 30 20 GBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588353469 UGOVXWHIOKEHIS-OCCSQVGLSA-N 384.444 -0.131 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[nH]n2)C[C@H]1O 1588357678 OLUCRINYLJZDPK-GMTAPVOTSA-N 377.430 -0.664 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)NCCCNc1ccc(-c2nn[nH]n2)nn1 1588658173 AKEPKUTVOVIAEU-UHFFFAOYSA-N 388.436 -0.161 30 20 GBED C=CCOCC(=O)NC[C@@]1(O)CCN(c2cc(-c3nn[nH]n3)nc(CC)n2)C1 1588674143 JOJCOOOKMQJOEI-KRWDZBQOSA-N 388.432 -0.521 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nn[nH]n3)C[C@@H]2O)nn1 1588712632 APGFLWVGPUXSDO-RISCZKNCSA-N 399.390 -0.237 30 20 GBED C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1588728915 YDDUNKZCLSKGLH-GDLCADMTSA-N 392.441 -0.007 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[nH]n2)nn1 1602721855 ZDYQVWBNNFHUED-OEAJRASXSA-N 393.455 -0.020 30 20 GBED C=CCn1cc(C(=O)NCCCN(C)c2nc(C)cc(-c3nn[nH]n3)n2)nn1 1602882784 SXXMVUYOQMJFTB-UHFFFAOYSA-N 383.420 -0.001 30 20 GBED COC(=O)[C@@H](O)C1CCN(CC#CCN2CCC([C@@H](O)C(=O)O)CC2)CC1 1610154703 HPDXXOXSXOPGJU-SJORKVTESA-N 382.457 -0.607 30 20 GBED N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2C[C@H](O)CN2)C3)CCC1 1783126496 IMTKCRFTCGRXKP-ZFCANOHDSA-N 390.484 -0.083 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncnc3)C[C@@H]21 1783530304 QNKVZTYFAMYAPB-MLCVQOOXSA-N 399.451 -0.072 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21 1784506296 LSFCXUIZFJKROO-UGUYLWEFSA-N 377.445 -0.151 30 20 GBED Cc1cc(C)n(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)n1 1791073974 HZZGZDATVKNPRX-JYJNAYRXSA-N 388.424 -0.432 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3cncn3)[C@H]2C1 1791518669 HTVFJOIMXHQTOV-QZWWFDLISA-N 389.456 -0.314 30 20 GBED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CNC(=O)C2)C3)c1 1798862675 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COC(=O)[C@H](CF)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 565667673 OXLCTEVGQXPPHZ-NSHDSACASA-N 379.391 -0.722 30 20 GBED CC(=O)N1CCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)[C@@H](C)C1 570226217 KFHXXOUXNWPHFE-LBPRGKRZSA-N 394.519 -0.520 30 20 GBED COCCNS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CCOC)cc1 573339183 HRAAZAMUQYPRCX-UHFFFAOYSA-N 391.471 -0.228 30 20 GBED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3CCN([C@@H]4CCOC4)CC3)C2)nc1 595206385 YBIDOKQPYOLGSO-IAGOWNOFSA-N 399.451 -0.134 30 20 GBED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 595980461 IQACTBHASHMYBS-DLBZAZTESA-N 381.436 -0.157 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 596748290 KWNRCOGIDFCNJK-MGPQQGTHSA-N 380.426 -0.072 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)C1=O 608232232 IZYHOLNRHPDCFQ-ZYHUDNBSSA-N 388.384 -0.993 30 20 GBED C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 658496806 IKJXCHBDBJSDMT-CQSZACIVSA-N 376.457 -0.250 30 20 GBED C#CCNC(=O)CN1CCN(C[C@@H](O)COCc2ccccc2OC)CC1 728685720 DSUIBZVOXZSICS-GOSISDBHSA-N 375.469 -0.060 30 20 GBED C=CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 760774559 SWDVGRUBYQAHNF-LBPRGKRZSA-N 385.442 -0.107 30 20 GBED COc1cc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)ccc1[N+](=O)[O-] 770654695 GCVLGIBILPSHQJ-UHFFFAOYSA-N 385.361 -0.661 30 20 GBED C=CC[C@H](NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1)c1ccncc1 805810467 FNYRXGYQQJXJEV-IRXDYDNUSA-N 376.457 -0.034 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1)[C@H]1CCCO1 809311244 GTRDEMKQPOAUEC-QZTJIDSGSA-N 376.501 -0.231 30 20 GBED CN(C)S(=O)(=O)CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 812196439 QIJIGBJTDHOHOO-NWDGAFQWSA-N 389.478 -0.064 30 20 GBED Cn1c(=O)c2c(ncn2CC(=O)O[C@H](C(=O)O)c2cccc(C#N)c2)n(C)c1=O 833038056 JXMMCIOTKKJHLA-AWEZNQCLSA-N 397.347 -0.326 30 20 GBED C[C@H](CC(=O)NC[C@@H]1CNCCCO1)/N=C1/NS(=O)(=O)c2ccccc21 834862456 UDCGKFCLDXZVKG-OLZOCXBDSA-N 380.470 -0.002 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N[C@]1(C)CCOC1=O 848956493 RTWBYJSSYPODRW-IINYFYTJSA-N 387.439 -0.139 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 949472264 RKMTVHLVJGRWGP-IATRGZMQSA-N 378.429 -0.518 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2cnccc2OC)C1 968404350 NSYDKWJKVABGIK-WCVJEAGWSA-N 375.425 -0.088 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 999814381 UMGCVZMMAGVADG-QXSJWSMHSA-N 379.457 -0.070 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1O 1023941982 KHJFXAAREQTTKN-MXYBEHONSA-N 378.429 -0.994 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc3nccc(C)n3n2)C[C@H]1O 1025711132 GQDANNBMTLMOGG-SYQHCUMBSA-N 386.412 -0.675 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1c(C)nc(O)nc1O 1109876170 BAOFXLDDYZTGFK-XBFCOCLRSA-N 375.429 -0.238 30 20 GBED N#Cc1cccc(NC(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 1116424774 NPHVHTPAEQLQGE-JKSUJKDBSA-N 378.454 -0.728 30 20 GBED CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1118944516 JEDZEBJSYXRUHY-UKRRQHHQSA-N 377.445 -0.078 30 20 GBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1121376761 MCWMBLAVXOEPFJ-HNNXBMFYSA-N 387.488 -0.188 30 20 GBED CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 1261123715 MJGIYISBFJQYGU-ZIAGYGMSSA-N 399.455 -0.488 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1ccccc1Cn1cncn1 1261176731 BOVSVTPAVGHLPT-UHFFFAOYSA-N 391.453 -0.340 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1261710758 HQMJHRKTWTVAPM-OAGGEKHMSA-N 385.420 -0.053 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1261710792 IIJIBCLAZNIUID-HNNXBMFYSA-N 395.481 -0.145 30 20 GBED C=C(C)Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@@]1(C)CNC(=O)C1 1263344882 TYMSHCRWBZRSCW-LJQANCHMSA-N 389.504 -0.110 30 20 GBED CN(C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1324562082 JURVNEWDOZKMFL-UBQVSUSGSA-N 377.445 -0.382 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H](C)Cn1cccn1 1325296097 GHDLEBVIQDWKFO-KGLIPLIRSA-N 382.428 -0.213 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 1332836183 CSXSEHLNLJVVAV-AWEZNQCLSA-N 387.502 -0.197 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NC[C@@H]1CC1(Cl)Cl 1340244239 MPQXHUWIUBVRPX-PNLVODKCSA-N 375.212 -0.061 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573295767 UICMPBWJMQABKR-DYEKYZERSA-N 389.416 -0.617 30 20 GBED N#Cc1cn(CCC(=O)NCc2ccc(-c3nn[nH]n3)c(F)c2)c(=O)nc1O 1581876878 KMNZMXZFTFUTOL-UHFFFAOYSA-N 384.331 -0.154 30 20 GBED C#CCN1CCC(C(=O)N2CC[C@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)C2)CC1 1588351970 QKMRGVLWTDIMRZ-AWEZNQCLSA-N 381.444 -0.563 30 20 GBED C#CCOCCC(=O)N[C@@]1(CO)CCCN(c2ncccc2-c2nn[nH]n2)C1 1602729211 JWHRDFZNDMIRIS-SFHVURJKSA-N 385.428 -0.251 30 20 GBED C#Cc1cncc(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[nH]n3)nn2)c1 1602745672 OECCQDAYWNUOJI-AWEZNQCLSA-N 391.395 -0.332 30 20 GBED CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)Cn2cc(C#N)c(O)nc2=O)cn1 1634490698 JQHYTUKSNIZYPM-QWVSSGJLSA-N 390.425 -0.631 30 20 GBED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783563880 DMFXBNSZIXINFE-ACJLOTCBSA-N 387.396 -0.805 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)C3)[C@H]2C1 1790856567 MHIFNXLQOQBOAK-YXMSTPNBSA-N 377.441 -0.860 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1ccnn1)C2 1793346173 BVXWWVPEOGJTOI-DGXTUMSLSA-N 375.429 -0.533 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc(Cl)cn1 1795762631 ILUHRFHFPQCLLR-CULMDFNYSA-N 380.788 -0.786 30 20 GBED COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801984772 PCEHJLMJBGTQBW-FZKCQIBNSA-N 392.456 -0.579 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CNC(=N)N)n[nH]1 1817250617 PLEQZFBDIJWVHW-AAEUAGOBSA-N 375.433 -0.077 30 20 GBED CN[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1)C(=O)O 1822200723 QTJIQDQMQVYRIN-VXGBXAGGSA-N 391.384 -0.448 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnc(O)[nH]1)CC2 1825667282 QPWLQHMRWQKJKU-SSDOTTSWSA-N 375.366 -0.114 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1C)CCO2 1832056631 SRIIJFLOVANPBB-ZWOKBUDYSA-N 393.484 -0.425 30 20 GBED CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1832286246 VTPCHXIHUVLCRU-LJQANCHMSA-N 394.472 -0.139 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835414169 YAHAOTHWNYAQPZ-SUMWQHHRSA-N 385.486 -0.617 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836203501 GXOKJDTWDZGWMX-QGZVFWFLSA-N 376.417 -0.716 30 20 GBED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1837479772 RGWFPWBHYNIPJZ-KSSFIOAISA-N 388.428 -0.353 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccco3)C2)C1 1840041130 SLYPAEXFHGLFFT-LJQANCHMSA-N 390.392 -0.243 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nccs3)C2)C1 1840041538 SOJXZBYSLVTMTA-MRXNPFEDSA-N 379.394 -0.699 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccs3)C2)C1 1840042052 YASKLKZBMNFBCY-SFHVURJKSA-N 392.433 -0.165 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1840168982 BPBNEAXCTXHXBL-LJQANCHMSA-N 388.424 -0.357 30 20 GBED NC(=O)[C@H](N)CCC(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844314065 RNRVLCFESUNVJG-SCDDIDHTSA-N 375.429 -0.505 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1847814098 HDLPNYYQYMBXKQ-PMPSAXMXSA-N 399.513 -0.490 30 20 GBED C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 10783744 CHXZHNZSDGFKIB-SNVBAGLBSA-N 386.364 -0.269 30 20 GBED CN1CCN(C(=O)CCNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 52524486 XWICUIRHQRBTSD-UHFFFAOYSA-N 385.472 -0.051 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)Cn2c(=O)n(C)c3ccccc32)CC1 264183845 OSOKVQGSVDBNPL-UHFFFAOYSA-N 383.452 -0.376 30 20 GBED Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1S(=O)(=O)N(C)C 264510290 ZPBGXLVFEDLAGR-CYBMUJFWSA-N 380.426 -0.065 30 20 GBED N#Cc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2nnc[nH]2)CC1 273430166 ZBJJDGAFIISIEH-UHFFFAOYSA-N 376.398 -0.412 30 20 GBED C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 286092344 NYKBDGUEHLKQLG-CQSZACIVSA-N 384.440 -0.271 30 20 GBED CC[C@H](/N=C(/O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1)C(=O)N1CCOCC1 329078840 QQEFPIWPRPGLNI-KXBFYZLASA-N 396.488 -0.013 30 20 GBED CC(C)C/N=C(/O)NC(=O)[C@H](C)N1CCN(C(=O)CN2CCOCC2)CC1 330676594 AKSYMKXXPQJBOZ-HNNXBMFYSA-N 383.493 -0.463 30 20 GBED Cc1nc([C@H]2CCN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)C2)n[nH]1 349464425 JHAAWGXAGZBSLE-LBPRGKRZSA-N 390.491 -0.593 30 20 GBED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C[C@H]1C 349513658 XURFDLSGVDZZTB-CHWSQXEVSA-N 394.519 -0.616 30 20 GBED COC1(C)CN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@@H]2C#N)C1 349518364 GYGBVWHLMNPACR-LBPRGKRZSA-N 397.544 -0.302 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NC[C@]2(N3CCOCC3)CCSC2)CCO1 409567677 RKLSBVQUOPBOLO-UONOGXRCSA-N 376.504 -0.747 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 410419109 GASOVWKTJLHCKP-UHFFFAOYSA-N 395.489 -0.171 30 20 GBED COC[C@](C)(NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 465145318 OHQWEPQSSUOFLF-INIZCTEOSA-N 383.426 -0.127 30 20 GBED COCCCNC(=O)[C@@H](C)N1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 507728187 WQOGFBYPTKLEGJ-BEFAXECRSA-N 379.505 -0.046 30 20 GBED N#CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 511896155 LRRUIDWOWHTAHO-UHFFFAOYSA-N 399.860 -0.004 30 20 GBED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CN4CCN3CC4)C2=O)cc1 532638272 NFRPSWNNYMMQNU-SJORKVTESA-N 396.451 -0.121 30 20 GBED CCOC(=O)C1(O)CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 553100155 UIFYBAJASCLNHH-UHFFFAOYSA-N 377.401 0.191 30 20 GBED CC(C)N1CC[C@@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1=O 554194534 NOBGLLVJMLLHSS-CYBMUJFWSA-N 375.433 -0.620 30 20 GBED CC(=O)NCCNS(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)C#N)cc1 570695976 DTKDKBYDAXQUES-UHFFFAOYSA-N 388.471 -0.319 30 20 GBED COC(=O)CNC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 594349385 BOLQPOVLPSRHKL-LLVKDONJSA-N 392.799 -0.030 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnn(C(C)(C)C(=O)OC)c2)C1=O 598376618 VHSOMHAIUVWTFF-UHFFFAOYSA-N 377.357 -0.294 30 20 GBED N#CCc1cccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 619480632 GGBSQKLXJMBJSZ-JKSUJKDBSA-N 399.494 -0.471 30 20 GBED C#CCNC(=O)C1CCN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 735381702 PLCOABYCARRJOD-UHFFFAOYSA-N 395.423 -0.416 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1 737836506 QPJBRZCLVPHKFM-UHFFFAOYSA-N 387.415 -0.138 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)[C@H](C#N)C1 757604087 LBYYIOMZSNTURH-ZYHUDNBSSA-N 387.400 -0.054 30 20 GBED CN(C)C(=O)CN1CCC(NC(=O)C(=O)NCc2cc(C#N)ccc2F)CC1 805372600 APPCXLHQBDHOMA-UHFFFAOYSA-N 389.431 -0.018 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)CC2(C(=O)OC)CCC2)CC1 812498092 IEMZKXOQTXYDHQ-UHFFFAOYSA-N 385.486 -0.583 30 20 GBED N#CCOc1ccc(CNC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)cc1 841783986 PQVQWPRFYVYLBY-UHFFFAOYSA-N 393.469 -0.282 30 20 GBED COC(=O)[C@H]1CNCCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 843476866 HMYZILBXSBDPOT-GFCCVEGCSA-N 380.426 -0.911 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCC[S@@](C)=O)cc1 848941086 CTYPAWKGACJUMN-CHNSCGDPSA-N 379.485 -0.466 30 20 GBED COC(=O)CNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 856693548 GJSIELMXHPTISM-LLVKDONJSA-N 397.409 -0.287 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccn(C)c(=O)c2)C1 968664721 VCDZKKYHZZYMTE-WCVJEAGWSA-N 375.425 -0.332 30 20 GBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2CC)nn1 985486688 ZWIDQCFBBUSSRT-PMOUVXMZSA-N 390.444 -0.394 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@H](c2cncn2C)C1 993605750 IECCILCNHPKWIX-NHIYQJMISA-N 389.456 -0.313 30 20 GBED Cn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2ccc(C#N)[nH]2)c(O)nc1=O 1002085542 HTXOELDRNYAKSC-HONMWMINSA-N 382.380 -0.139 30 20 GBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C2)n1 1041385985 OTAAHAIGXWZAEP-VMUDFCTBSA-N 383.412 -0.684 30 20 GBED C=CCOCCNC(=O)C(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1118697690 KYXQSHXEKAPHRA-IYBDPMFKSA-N 385.420 -0.051 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCS(=O)(=O)C(C)(C)C)CC1 1324635831 FXLKZBGVNIDJNS-UHFFFAOYSA-N 385.486 -0.696 30 20 GBED CN1CCN(C(=O)CCNC(=O)C(=O)NCc2cccc(OCC#N)c2)CC1 1326635185 FOBXWYZQQWLKLT-UHFFFAOYSA-N 387.440 -0.515 30 20 GBED Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@](O)(CC#N)C3)CC2)cn1 1326753537 VTILKOXVZOAXTI-MRXNPFEDSA-N 396.473 -0.367 30 20 GBED CC(C)NC(=O)CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1327077575 NGIUMBPSLVKFGA-MRXNPFEDSA-N 399.451 -0.194 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H]1CCCN(C)C1=O 1330396504 MSLZCVKYLIQGDV-OLZOCXBDSA-N 385.428 -0.878 30 20 GBED CN1CCN(C(=O)C2CCN(C(=O)C(=O)N3CCC[C@@H](C#N)C3)CC2)CC1 1335473565 JFPNDDGZRNCSSS-HNNXBMFYSA-N 375.473 -0.239 30 20 GBED N#Cc1ccc(OC[C@@H](O)CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 1338487795 FDFSETCTLFIMQZ-MSOLQXFVSA-N 388.468 -0.179 30 20 GBED N#C[C@H](C(=O)CCS(=O)(=O)C1CCCC1)C(=O)N1CCS(=O)(=O)CC1 1341787301 OVGHYDMCGCHVAO-CYBMUJFWSA-N 390.483 -0.300 30 20 GBED C=CCCOCCNC(=O)C(=O)N1CCC(N(C)S(=O)(=O)CC)CC1 1342903490 HUULASAHGKKTRT-UHFFFAOYSA-N 375.491 -0.032 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 1349152766 LHYYGWZSIMTASU-QGZVFWFLSA-N 376.417 -0.969 30 20 GBED CN1CCN([C@H]2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)CC1 1549997600 TYXDQSWBWYVVLI-AWEZNQCLSA-N 391.497 -0.427 30 20 GBED C=CCOCC(=O)NC1(CO)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1573343503 QBCLNZSNNDYJNV-UHFFFAOYSA-N 389.416 -0.519 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCn1ccc(O)nc1=O 1581855578 GGSPKHWYOQTXFC-ZDUSSCGKSA-N 380.368 -0.372 30 20 GBED N#Cc1cc(C(=O)NC[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)CCO2)c[nH]1 1581865667 NEMHWCLJQKSIML-GFCCVEGCSA-N 380.372 -0.508 30 20 GBED C=C[C@H](C(=O)NC[C@@H](O)CN=c1cc[nH]c(-c2nn[nH]n2)n1)c1ccccc1 1588467683 MTSJQRNVILMBBF-KBPBESRZSA-N 380.412 -0.063 30 20 GBED COCC#CCN1CCO[C@@]2(CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 1591362046 QWBMACKYMVUQTC-SFHVURJKSA-N 385.428 -0.239 30 20 GBED C#CCOCCC(=O)N[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2Cl)C[C@H]1O 1602729152 GRQGZKQEFBINKP-CHWSQXEVSA-N 391.819 -0.379 30 20 GBED CC#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1602896140 CXJHWWBMAUGZPR-ZDUSSCGKSA-N 391.457 -0.563 30 20 GBED C[C@@](CO)(NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)O 1604189517 BPCCUSUJVWRSGM-KRWDZBQOSA-N 395.437 -0.089 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1609058551 GFFQLIBZSNOQJC-LBPRGKRZSA-N 385.432 -0.216 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(C(C)(C)C(=O)O)CC2)C1=O 1609373818 RFTKSYZSBRKPHW-ZDUSSCGKSA-N 380.445 -0.761 30 20 GBED N#CCC1(CS(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 1661175681 SUUODONKYILAAP-CHWSQXEVSA-N 377.488 -0.903 30 20 GBED CNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1729723225 YZFQNCVPOYUQSE-IAQYHMDHSA-N 384.437 -0.242 30 20 GBED CC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1763350595 LQXSNZWEEAPHPL-ZOWXZIJZSA-N 386.478 -0.222 30 20 GBED COc1nc(C)ccc1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779744067 ZNOUKFNDSNMWCC-IBGZPJMESA-N 387.392 -0.070 30 20 GBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(N3CCOCC3)n1)CCO2 1783050097 GOKOSFPPSYHJHN-FQEVSTJZSA-N 384.436 -0.005 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1783563325 NZNMKPJCEHKODZ-LJQANCHMSA-N 382.376 -0.134 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCc1ccc(O)nn1)CCO2 1783565585 OGQUTALNWZFHTB-GOSISDBHSA-N 388.380 -0.967 30 20 GBED Cc1onc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1C 1784776317 XRDKIEBMBFKKDA-IHRRRGAJSA-N 375.381 -0.027 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H]3CCOC3)C[C@@H]21 1791079492 OPJLYLNJAKAIAA-UGUYLWEFSA-N 378.425 -0.129 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OCC)C2 1793357957 HZRNYTIRFSANGK-HAFSJTIUSA-N 399.444 -0.768 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(=O)n2O)c1 1794360745 UXQZNFICXYXTPS-FVCICTRLSA-N 397.391 -0.198 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O 1801529019 WZYKRDSALTVIDR-HGTKMLMNSA-N 386.470 -0.951 30 20 GBED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807056790 WJJJMBSHSPPPKS-AEIGPULVSA-N 393.513 -0.002 30 20 GBED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1830334568 IQNLUCXFIIFFKU-MRRJBJDNSA-N 387.502 -0.324 30 20 GBED Cn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1O 1831209637 QQCWIZVPLRQLAG-IBGZPJMESA-N 388.424 -0.391 30 20 GBED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)n(C)n1 1834756079 LZPNHBMYFJWTBT-QGZVFWFLSA-N 377.401 -0.588 30 20 GBED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)CN)CCO2)C1 1836489639 NOBNDQWDSDQORR-JTDSTZFVSA-N 380.489 -0.503 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1840157283 KGJDSEVMMRTBOC-BZNIZROVSA-N 382.442 -0.430 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1841601875 GLUOSYCPEIWXDJ-SJORKVTESA-N 376.501 -0.136 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1845251573 AVTKICKLSZSTSX-NEPJUHHUSA-N 379.417 -0.411 30 20 GBED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)CNC(N)=O)C2)c(C#N)c1 1847110995 UMKQRVLKVJCJCY-UHFFFAOYSA-N 385.424 -0.019 30 20 GBED CN(C)C(=O)C/N=C(/NCC(=O)N(C)C)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 262277922 IKTGJNJNOBHRPQ-YESZJQIVSA-N 392.548 -0.085 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(S(=O)(=O)c1ccccc1C#N)C2 276039028 FUULQBXNMQDPQU-UHFFFAOYSA-N 390.425 -0.791 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](CC)C(=O)N2CCOCC2)CC1 286828882 WZYVHDFBDZUNPW-MRXNPFEDSA-N 380.489 -0.103 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ncccn3)CC2)cc1 298037511 BYQUGASZMITJPM-UHFFFAOYSA-N 386.437 -0.025 30 20 GBED C[C@H](/N=C(/O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)c1nncn1C 329530037 IOEJNUVTUGOSSN-STQMWFEESA-N 386.478 -0.084 30 20 GBED N#Cc1ccc(NCC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 331551595 RTXMMAXEJBGAQL-UHFFFAOYSA-N 385.424 -0.500 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(O)nn1 349518701 OJQHYHBHODUSOA-SNVBAGLBSA-N 377.448 -0.265 30 20 GBED CNS(=O)(=O)c1ccc([C@@H](C)NS(=O)(=O)N2CCO[C@H](C#N)C2)cc1 409571853 RYKIMBVXRHSVHF-DGCLKSJQSA-N 388.471 -0.286 30 20 GBED CCN(C1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1)S(C)(=O)=O 410143421 PYVJSQBIFREVAI-UHFFFAOYSA-N 396.535 -0.161 30 20 GBED N#Cc1ccc(F)c(CNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)c1 469578966 QPYFBZXBMWFKIR-UHFFFAOYSA-N 379.373 -0.281 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCC(=O)N1CCOCC1 541416996 QYXANKYUQKIJQF-UHFFFAOYSA-N 390.396 -0.503 30 20 GBED N#Cc1ccc(S(=O)(=O)CCNCCCN2CCC[C@H](C(N)=O)C2)nc1 576862884 GIXDZHOOJRETTQ-HNNXBMFYSA-N 379.486 -0.096 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 578453555 WULVETUASPHZSK-UHFFFAOYSA-N 386.455 -0.659 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 581954207 NQYGCCQOOAOVJC-LLVKDONJSA-N 386.455 -0.660 30 20 GBED Cn1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)NC3(C#N)CC3)cc2)nn1 594616721 GWWAEDLALNHACN-UHFFFAOYSA-N 396.454 -0.372 30 20 GBED COCc1n[nH]c(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)n1 598051171 RBZBSFQNJQUAHQ-JTQLQIEISA-N 378.414 -0.194 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCN(C)S(C)(=O)=O 610683462 LHAQVYMRAWYAIO-ZDUSSCGKSA-N 395.489 -0.150 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 685174982 XVRQZSVCISJASK-XJKSGUPXSA-N 388.472 -0.203 30 20 GBED C=C(COC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)OCC 735402278 PHKNUIDTTCVSJN-UHFFFAOYSA-N 395.397 -0.193 30 20 GBED Cc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)O)cc1S(=O)(=O)NCC#N 738507744 OUCSSESCVUIIQH-GFCCVEGCSA-N 394.409 -0.788 30 20 GBED COc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1C#N 771891316 LREYIDSYRKUBNH-UHFFFAOYSA-N 377.382 -0.723 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCC(C(=O)NCCO)CC1)c1cc[nH]n1 772415677 UVOPUPCAVIEDLB-UHFFFAOYSA-N 395.416 -0.959 30 20 GBED C=CCS(=O)(=O)CCNC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1 783619045 ZIZBEXFLVYNEFJ-UHFFFAOYSA-N 376.456 -0.066 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCOC 795188220 XHOPXARCNSPHQG-UHFFFAOYSA-N 387.465 -0.597 30 20 GBED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 803864486 UQFORWJYPLDMFZ-OAHLLOKOSA-N 382.398 -0.793 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CCCO1 804261303 WNQQOVXTBVFVEP-XHSDSOJGSA-N 378.473 -0.658 30 20 GBED Cc1nn2c(SCCS(=O)(=O)c3ccc(C#N)cn3)n[nH]c2nc1=O 808021583 SSVDKSYBSDFDLI-UHFFFAOYSA-N 377.411 -0.046 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc([S@@](C)=O)cc2)CC1 831574276 CDCCJPNXTBHNCH-XMMPIXPASA-N 383.495 -0.422 30 20 GBED CC(C)NS(=O)(=O)c1ccc(NN=Cc2cn(C)c(=O)n(C)c2=O)nc1 914701099 ALBOCFROCDUERH-UHFFFAOYSA-N 380.430 -0.388 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1CC 985269818 KLKMDURYKLUOJA-QXSJWSMHSA-N 391.472 -0.023 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnsn2)C[C@@H]1n1ccnn1 990962257 BFNOEBDSOMHYRY-ZZVYKPCYSA-N 389.441 -0.097 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1O 1023960391 JDACVIOELWQJRT-TUVASFSCSA-N 386.412 -0.593 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnnn2CC(F)(F)F)C[C@H]1O 1077698165 WUJCOELTBPGFEV-KKOKHZNYSA-N 390.366 -0.512 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccccc1-n1cnnn1 1110083174 FEOHOHMLOVXVNM-INWMFGNUSA-N 380.412 -0.363 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H]1CCN(C2CC2)C1 1257472878 OZXUIMRAEJNPIT-KGLIPLIRSA-N 383.456 -0.262 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NC2CCN(C[C@H]3CCOC3)CC2)CCN1C1CC1 1261924633 AYTHFBJSUFTXSN-QAPCUYQASA-N 389.500 -0.198 30 20 GBED O=C(NC1CC1)N[C@H]1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1320303471 TVYXDYFCGURRQX-TZFAWSOVSA-N 376.417 -0.242 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 1323259332 HTOLRFHTGVHPAQ-UHFFFAOYSA-N 386.452 -0.787 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1324422844 KUBDFGASZNFERC-GFCCVEGCSA-N 389.474 -0.171 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(Cn2cncn2)cc1 1330251456 IKZFEUCVCGLXTI-UHFFFAOYSA-N 391.453 -0.340 30 20 GBED CCOC(=O)N1CCC(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CC1 1341787954 RHTDHEZMXZZHJR-CYBMUJFWSA-N 385.442 -0.179 30 20 GBED C=C(C)Cn1c(N2CCN(C(=O)COC)CC2)nnc1[C@@]1(C)CNC(=O)C1 1343006792 GDQAMNFDZHLEHE-GOSISDBHSA-N 376.461 -0.073 30 20 GBED Cc1nc(CN2CCN(C(=O)C(=O)N3CC[C@](O)(CC#N)C3)CC2)cs1 1345956329 CBBDWJAOFFQCCP-QGZVFWFLSA-N 377.470 -0.027 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC1(S(N)(=O)=O)CCC1 1571293812 SIOFRLWIZHUDJQ-ZDUSSCGKSA-N 389.441 -0.124 30 20 GBED C#CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H](OC)C2CC2)CC1 1575004646 HTMCFDYRHWMJCI-SFHVURJKSA-N 388.472 -0.228 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@]1(C)CCCN(CC(=O)NCc2cnn[nH]2)C1 1575012438 ATIRSECNNMNNCE-KDOFPFPSSA-N 376.461 -0.323 30 20 GBED N#CCNC(=O)CN1CC[C@H]1CNC(=O)c1ccc(OCc2cnn[nH]2)cc1 1577706682 PDVCGUBLDJOLHM-HNNXBMFYSA-N 383.412 -0.172 30 20 GBED N#Cc1cc(C(=O)NCC2[C@H]3CN(c4ccc(-c5nn[nH]n5)nn4)C[C@H]23)c[nH]1 1581866162 USQRUGVAIUVZGU-CHWSQXEVSA-N 376.384 -0.031 30 20 GBED C#CCN(C(=O)Cn1ccnc1)C1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 1588348274 ONLUMRVTFPJXIU-UHFFFAOYSA-N 392.427 -0.016 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[nH]n2)c(C)n1 1588351573 ZOCRTIWGNMCEEC-ZFWWWQNUSA-N 384.444 -0.443 30 20 GBED C#CCO[C@@H](C)C(=O)NC1(CO)CCN(c2ccncc2-c2nn[nH]n2)CC1 1588355605 KFEIZBJRLDZSRC-ZDUSSCGKSA-N 385.428 -0.253 30 20 GBED C#Cc1ccccc1CC(=O)NC[C@@H](CO)N=c1cc[nH]cc1-c1nn[nH]n1 1588376985 OBAXUAMMRIXWAH-HNNXBMFYSA-N 377.408 -0.203 30 20 GBED C=CCNC(=O)NC(=O)CN[C@H](C)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588658345 HBOJZFCZGQFFLS-SNVBAGLBSA-N 389.420 -0.695 30 20 GBED C#CCN1CCC(C(=O)NC[C@H](C)N(C)c2cncc(-c3nn[nH]n3)n2)CC1 1602717795 BQISSGISDAJJML-ZDUSSCGKSA-N 383.460 -0.057 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1602721214 ALPMZHQNLFDUMH-DOMZBBRYSA-N 382.428 -0.377 30 20 GBED CC(C)C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)C(=O)N1CC[C@H](N(C)C)C1 1655614974 QUOFYJSXGZLQFX-ZFWWWQNUSA-N 390.488 -0.055 30 20 GBED N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCC(=O)N2CCOCC2)CCO1 1770749504 ZKYMUEWBLOZZKW-HUUCEWRRSA-N 390.444 -0.240 30 20 GBED CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784381598 AFTCXFQPOCZCQN-JYJNAYRXSA-N 382.482 -0.186 30 20 GBED N#Cc1cccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)CNC(N)=O)C3)C2)c1 1785624046 REOBJNSJWYLHAO-FQEVSTJZSA-N 399.451 -0.011 30 20 GBED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1800491712 NIGQWGHMIMGZMO-FQUUOJAGSA-N 387.440 -0.009 30 20 GBED CC(=O)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1800540589 KTSMRCHJFOHWPA-IAILGRRXSA-N 390.440 -0.186 30 20 GBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1800984606 AYTLWLUYKLMTFK-ORXSELOVSA-N 380.426 -0.304 30 20 GBED N=C1NCCN1CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1826873190 FAPOSRAQHZCFDL-HNNXBMFYSA-N 389.456 -0.466 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830575437 DWMAOMLTHYKLJH-XTUQQUOLSA-N 380.441 -0.748 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831563772 SYQMZXGQDPDCIZ-YVEFUNNKSA-N 380.401 -0.899 30 20 GBED Cc1ccn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)n1 1835340883 IIDORXCXLGZXSS-IBGZPJMESA-N 387.440 -0.048 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1840164294 FGARYAJZBUKZOK-AHIWAGSCSA-N 385.486 -0.713 30 20 GBED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1840294844 OXHOTOHFMVKNKH-JXFKEZNVSA-N 391.468 -0.228 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844314403 GLLJJVDTOHUQKQ-VTNJTDAWSA-N 392.412 -0.034 30 20 GBED Cn1cnc2c1c(=O)n(CC(=O)[C@@H](C#N)C(=O)Nc1ccccn1)c(=O)n2C 138908910 LEWSEKJZUNIJHP-SNVBAGLBSA-N 381.352 -0.824 30 20 GBED C/N=C(/NC[C@H](C)N1CCN(C)CC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 261673874 CKISPABXVRDTLO-IFXJQAMLSA-N 393.536 -0.492 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(O)CCN(C)CC1 268933018 SYLJUXYBVBJZAT-CYBMUJFWSA-N 380.470 -0.202 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)C1=O 275226284 DJQUAGQBPUWLFT-WFASDCNBSA-N 389.412 -0.040 30 20 GBED C#CCOc1cccc(NC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)c1 276200239 ZBGRXGLEKNRFKL-MRXNPFEDSA-N 375.425 -0.211 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(S(C)(=O)=O)CC1 280678682 DMMXKUIRXUGCLK-NSHDSACASA-N 385.467 -0.082 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c1=O 298576614 BUCDIWJTGVHZHH-UHFFFAOYSA-N 391.409 -0.504 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CN3CCOCC3)CC2)C1=O 299485016 DNOMQHCXXPNYMA-UHFFFAOYSA-N 378.429 -0.466 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)cc1 299617195 ZQOILRWSHHIMBS-AWEZNQCLSA-N 390.421 -0.102 30 20 GBED CN1CCN(C(=O)c2cc(N=C(O)N3CCN4C(O)=NC[C@@H]4C3)ccn2)CC1 329816202 FJVSPCUGGBEKEP-CQSZACIVSA-N 387.444 -0.072 30 20 GBED C[C@@H]1NC(=O)N(CCN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 332248864 BXGVVUHGGPPMRY-ZDUSSCGKSA-N 391.453 -0.195 30 20 GBED C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1ncn(C)n1 348389948 RTSURQNZWDMDEB-MNOVXSKESA-N 379.464 -0.790 30 20 GBED C[C@@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N 349523239 NUCGVSBFPGGYPB-LLVKDONJSA-N 380.492 -0.910 30 20 GBED CCN1CCN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@H](C)C1=O 410717581 VEGHBMMIWLFJOM-CQSZACIVSA-N 384.440 -0.319 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)c1=O 510202672 AQVJFFRVIYKTRV-UHFFFAOYSA-N 390.421 -0.379 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC(C)(C)c2noc(CN(C)C)n2)C1=O 511602200 ABLTUJAWMAADGI-UHFFFAOYSA-N 378.389 -0.541 30 20 GBED N#Cc1cccc(N2CCN(S(=O)(=O)N3CCS(=O)(=O)CC3)CC2)n1 545477064 WKMFQHITDROXOX-UHFFFAOYSA-N 385.471 -0.950 30 20 GBED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccccc2)c(=O)n1CC(N)=O 547961856 PBPHAWQGJOVHID-ZDUSSCGKSA-N 383.429 -0.496 30 20 GBED Cn1c(=O)c2cc(NC(=O)CNC(=O)c3ccc(C#N)cc3)cnc2n(C)c1=O 548431547 FOPKPOLNSLRWBK-UHFFFAOYSA-N 392.375 -0.128 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)NCc2cc(C(N)=O)no2)CC1 597272449 DKJNGPZARXRAGG-UHFFFAOYSA-N 388.409 -0.328 30 20 GBED CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)c1 619730990 QWXQKYAJVPBEPX-KRWDZBQOSA-N 375.360 -0.435 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN(C)C(=O)C3CC3)CC2)o1 733514566 PGJHRZVMHQABLG-UHFFFAOYSA-N 389.412 -0.085 30 20 GBED COC(=O)CN(CC#N)C(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 736919364 POMGQJLDBNDGMA-UHFFFAOYSA-N 381.356 -0.227 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](CN3CCOCC3)C2)c1=O 742162515 URFXLCXWJNAVGH-MRXNPFEDSA-N 391.472 -0.845 30 20 GBED COC(=O)c1ccccc1CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 755680259 NMJXOSVHKATAGI-CQSZACIVSA-N 378.406 -0.018 30 20 GBED C[C@H](C(=O)OCC(=O)NC1(C#N)CCC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 784230730 QJZVRGZFWIVFSG-XMKDAVRRSA-N 375.381 -0.357 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2csnc2C(=O)O)CC1 833365920 XMLIJWQXLINAEB-UHFFFAOYSA-N 386.455 -0.713 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1noc(C)n1)[C@H]1CCCO1 848962991 FVYXGQJDLQOWBI-VXGBXAGGSA-N 392.459 -0.390 30 20 GBED C#C[C@H](CC)NS(=O)(=O)CCCS(=O)(=O)Nc1nc2ncccn2n1 848963334 PSJWJXWZDOMVSE-LLVKDONJSA-N 386.459 -0.413 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@@H]1O 964615548 YJONKJOTSOKSNZ-KBXIAJHMSA-N 386.470 -0.910 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccc(C)cc2=O)C1 1023742060 LVYZBLUBALLLBX-FPCVCCKLSA-N 375.425 -0.564 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 1024260909 CMLNGBDHIQRRCU-MXYBEHONSA-N 378.429 -0.994 30 20 GBED CN1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(C#N)cn2)S1(=O)=O 1055462139 VSYUSMAZPFHTJI-MQYQWHSLSA-N 376.442 -0.392 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 1109826794 YQGNANFWAIXPOS-QLCXLMDBSA-N 385.468 -0.241 30 20 GBED C#CCOCCNC(=O)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 1117083049 FBLNSXSLAHVADJ-ZDUSSCGKSA-N 381.454 -0.120 30 20 GBED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCc2ccc(C#N)c(F)c2)C1 1118100830 NZFYZCWVYFJYID-ZDUSSCGKSA-N 382.417 -0.146 30 20 GBED C=CCN(C(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[C@@H](C)COC 1118530467 DUWOYFUQMRQIMW-INIZCTEOSA-N 396.488 -0.961 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1C[C@H]2CCC[C@@]2(N)C1 1118828347 XSJKXNMIZQKZKA-PJIJBLCYSA-N 383.456 -0.275 30 20 GBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1121284192 VEAUQUOGJYLAEU-CQSZACIVSA-N 389.460 -0.358 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2CC)C[C@H]1c1cn(C)cn1 1130611933 LXCXQWYKEHPKSH-GFIVTLFCSA-N 387.484 -0.131 30 20 GBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1c1cncn1C 1130991705 ZIAUDCDNTGLMKZ-QBPKDAKJSA-N 387.484 -0.131 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 1254492593 NKHYGLLUJPMNLO-UHFFFAOYSA-N 381.410 -0.303 30 20 GBED COCCN(C)CCNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1257604430 PPYZZFVFSUMNNB-CQSZACIVSA-N 389.460 -0.920 30 20 GBED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC1CCN(CC#N)CC1 1257798236 RLXFZXRDOHWOBN-INIZCTEOSA-N 392.504 -0.851 30 20 GBED O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCNS(=O)(=O)c1ccccc1 1319260988 PNQWERVBRWZTPO-WUKNDPDISA-N 392.437 -0.002 30 20 GBED C=C[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 1320584217 RFRPIVKKEPCXCN-NSHDSACASA-N 386.430 -0.405 30 20 GBED COC[C@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)OC 1323632309 LGSFOQXLRSWCCW-HOTGVXAUSA-N 388.424 -0.447 30 20 GBED CNS(=O)(=O)N1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 1324262420 SYRXLLWEHPOXNK-UHFFFAOYSA-N 396.473 -0.321 30 20 GBED C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1331890779 KZJMMNVMHNIUCN-YJBOKZPZSA-N 389.500 -0.103 30 20 GBED C=CCn1c(CNS(=O)(=O)CC)nnc1N1CCN([C@@H]2CCOC2)CC1 1342413258 DPMBBUIGIOUZAW-CQSZACIVSA-N 384.506 -0.186 30 20 GBED CC(C)(CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)S(C)(=O)=O 1347011334 HQEMNPWWPVBNGQ-UHFFFAOYSA-N 393.469 -0.459 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(C(=O)c3cccn3C)CC2)nn1 1350583818 PBEFNBJYVIKRBO-UHFFFAOYSA-N 385.428 -0.597 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCN([C@@H]4CCOC4)CC3)CC2)cn1 1352159544 CZIRBOSEUNTOIG-GOSISDBHSA-N 398.467 -0.465 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@@H]2CCCC2(F)F)CC1 1355941349 VHYVFBHOJLKMMT-LBPRGKRZSA-N 389.432 -0.302 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1573286350 ZHUYIHISGWSFRT-DOMZBBRYSA-N 382.428 -0.377 30 20 GBED C=CCn1cc(C(=O)N2CCC[C@@H]2CN=c2cc[nH]c(-c3nn[nH]n3)n2)nn1 1573348192 NVKNKBGODZAASM-LLVKDONJSA-N 381.404 -0.427 30 20 GBED C[C@@H](C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 1573569818 FUKLJZTVFFFFNO-APPDUMDISA-N 384.400 -0.202 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2CCCNC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1574935686 BNNHKCLFPNBGQW-ZIAGYGMSSA-N 396.517 -0.329 30 20 GBED C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2)nnc1N1CCOC[C@H]1C 1574951234 XQIVXALUCJVJDC-KGLIPLIRSA-N 385.490 -0.235 30 20 GBED C[C@@H](OCc1cnn[nH]1)C(=O)N1CCOC[C@H]1CNC(=O)CSCC#N 1575830742 VVAQNSWXXIZXAT-DGCLKSJQSA-N 382.446 -0.690 30 20 GBED C[C@@H](OCc1cnn[nH]1)C(=O)NC1(CO)CCN(c2cnc(C#N)cn2)CC1 1575843768 PLOONLULBXNLSY-GFCCVEGCSA-N 386.416 -0.481 30 20 GBED N#Cc1cn(CCNC(=O)c2ccc(OCCc3cnn[nH]3)cc2)c(=O)nc1O 1577719534 VGXJQJFGNQPGIA-UHFFFAOYSA-N 395.379 -0.010 30 20 GBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O 1588362849 XMOGFGZDLWGAOX-CVEARBPZSA-N 388.403 -0.293 30 20 GBED C=CCn1cc(C(=O)N[C@@H](C)[C@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 1588713925 ZCJHYGNDGWVJJU-UWVGGRQHSA-N 384.404 -0.091 30 20 GBED N#CCSCC(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)cc1F 1592679681 ZIZKGKUGLZUWAO-LBPRGKRZSA-N 379.421 -0.171 30 20 GBED COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)O)C1 1598818662 LNRPRUDHIMHNIS-LBPRGKRZSA-N 381.410 -0.018 30 20 GBED N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCC(=O)N2CCOCC2)CCO1 1712884808 SJXDLXYNJNNJFH-CQSZACIVSA-N 398.427 -0.287 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1778979666 PMAPRSCXAPJDJM-KBXCAEBGSA-N 377.445 -0.319 30 20 GBED O=C(C#CC1CC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794088305 DNPJPGZOMOMGNX-BJWYYQGGSA-N 393.509 -0.232 30 20 GBED CCOc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)nn1 1798753678 IVZJVNAJYJJESM-DPIQGUFMSA-N 388.380 -0.834 30 20 GBED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)N1CCN(C)CC1 1799181813 SIFNRBPAWPRFEL-PHXBYCTMSA-N 388.512 -0.375 30 20 GBED COc1nccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c1F 1800775808 HTKCTCNMJDDIKZ-CULMDFNYSA-N 391.355 -0.480 30 20 GBED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)N1C[C@H]2C[C@@H]2C1 1800777500 VCNPEMMJZKXWGR-DXBVQYPPSA-N 375.425 -0.996 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)n1cnnn1 1803083909 DYKWXRLVPDQFEV-UFSHFBDQSA-N 387.444 -0.269 30 20 GBED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)C=CC2=O)n[nH]1 1822530924 AJQGYCKCUKILDR-LBPRGKRZSA-N 399.363 -0.585 30 20 GBED COC(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831225060 QAFCIWGIWAKUCI-GOSISDBHSA-N 379.413 -0.788 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)COC)C2)C1 1831387401 HBWIHTUMJOBWAJ-MDZRGWNJSA-N 382.457 -0.236 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NN(C)C(=O)CC1)CCO2 1832381206 VSFXPBTXOBUBDI-GOSISDBHSA-N 378.429 -0.373 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)CN)CC3)CC2)c1 1835067876 XEXXGEQKXUKXEZ-INIZCTEOSA-N 387.488 -0.642 30 20 GBED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC#N)CCO2 1835354384 SRVQFOQKFVOGBD-DUMMIQTOSA-N 379.413 -0.134 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1835698606 GJGGFVGIFFEEMN-PKOBYXMFSA-N 387.440 -0.158 30 20 GBED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1)C(F)(F)F 1839195524 XIGMRDKNBYODFN-OAHLLOKOSA-N 396.362 -0.430 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C2)C1 1839811585 CJQNISBURWWSCG-HRAATJIYSA-N 399.447 -0.106 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1840157338 LQWMVEOQVDAEPY-AHIWAGSCSA-N 385.486 -0.713 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1840167408 ORCVMBNVHCMDCW-HNAYVOBHSA-N 377.441 -0.475 30 20 GBED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)n1cncn1 1840415914 UEDZMKVNAYKRIC-DNVCBOLYSA-N 387.440 -0.291 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)CN2CCNC2=N)C1 1842909796 PIDYZWZLPAWOKK-UHFFFAOYSA-N 377.445 -0.461 30 20 GBED CN(C)C(=O)CN/C(=N/C[C@@H]1CCOC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 262330587 UWEUPTWCTXXSPK-JKSUJKDBSA-N 395.504 -0.620 30 20 GBED COCCCn1c(S(=O)(=O)CC(=O)Nc2cccc(C#N)c2)n[nH]c1=O 264519941 HTEIUPJFHLJCHR-UHFFFAOYSA-N 379.398 -0.108 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)CN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)CC2)c1 266276526 SXCIGFKFYVFNQU-DTTOXWODSA-N 395.419 -0.236 30 20 GBED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 286092341 NYKBDGUEHLKQLG-AWEZNQCLSA-N 384.440 -0.271 30 20 GBED C=CCn1cc(CNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)nn1 425565616 OJOFHECMYYISTL-AWEZNQCLSA-N 386.478 -0.248 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)OC)c2C)C1=O 440275103 YQDMAHOFEBWEEG-ZDUSSCGKSA-N 377.401 -0.452 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](CO)c2ccc(OC)cc2)C1=O 458252587 RXUYBJYTMPCHFB-CYBMUJFWSA-N 375.381 -0.136 30 20 GBED CCCCS(=O)(=O)NCC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472297569 VSJMVLDROUBPOV-UHFFFAOYSA-N 382.490 -0.032 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 511048693 YWVZISQHDQDLRS-GFCCVEGCSA-N 388.412 -0.054 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)NCCN3CCCS3(=O)=O)CC2)c1C#N 530356447 MDFPBUHMOAYZKJ-UHFFFAOYSA-N 395.489 -0.533 30 20 GBED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)nc1 532394306 CKHPHDPYAZWASL-UHFFFAOYSA-N 385.449 -0.874 30 20 GBED CN(C)c1nc(N)nc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 566402528 GMWXHJJSAFSUIV-ZDUSSCGKSA-N 380.412 -0.078 30 20 GBED C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)CC#N)cc2)CC(=O)N1 566476074 SYVBAVLYUNNASI-LLVKDONJSA-N 386.455 -0.660 30 20 GBED COC(=O)CN(CC#N)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1 594294617 OCFMIELIEZKAER-JSGCOSHPSA-N 399.400 -0.525 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 600427057 YIRSRVOPOFMDKJ-MISXGVKJSA-N 385.467 -0.083 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1C[C@H](C(N)=O)C1 600759019 COEHRBHDVCUDEZ-DCAQKATOSA-N 386.455 -0.581 30 20 GBED N#Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(F)c1 610082911 RAFIHBSVKJWYEQ-LLVKDONJSA-N 389.430 -0.331 30 20 GBED C#CCNC(=O)CN1C(C(=O)OC)=NC2=NS(=O)(=O)c3ccccc3N21 731810747 DXLKCGQONNYCGQ-UHFFFAOYSA-N 375.366 -0.897 30 20 GBED Cc1cc(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)nc2c1c(=O)n(C)c(=O)n2C 738862145 YJMYBMGETGBVQP-IBGZPJMESA-N 399.407 -0.094 30 20 GBED N#Cc1c(F)cccc1S(=O)(=O)N1CCN(CCS(N)(=O)=O)CC1 751461674 DJWTXBOUHNQYIA-UHFFFAOYSA-N 376.435 -0.708 30 20 GBED CC(=NNC1=NC(=O)C(=O)N1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl 794525639 DQLGPIUBKFHUHU-UHFFFAOYSA-N 378.197 -0.033 30 20 GBED O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1CCC[C@@H](C(=O)N[C@@H]2CCCN(O)C2=O)C1 820477098 UNYULCYAIYNGLQ-XJFOESAGSA-N 396.444 -0.214 30 20 GBED N#C[C@H]1COCCN1C(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 822806808 UBPARRFCXQZTJS-ZDUSSCGKSA-N 376.398 -0.468 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Cn2cc(Br)cn2)CC1 831556080 GJYHJSKTHGZALT-UHFFFAOYSA-N 390.263 -0.743 30 20 GBED N#C[C@@H]1CNC[C@H]1NC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 834490051 QZNVVANJDQKONB-WQVCFCJDSA-N 382.424 -0.236 30 20 GBED C[C@H](CC(=O)NC[C@H]1CNCCCO1)/N=C1/NS(=O)(=O)c2ccccc21 834862455 UDCGKFCLDXZVKG-CHWSQXEVSA-N 380.470 -0.002 30 20 GBED COC(=O)N1CCC(NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 858177964 ITIGFYSDZIQWCP-UHFFFAOYSA-N 376.373 -0.382 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCN([C@H]4CCNC4)CC3)CC2)cc1 868409343 BQAVDBSHBBOAON-IBGZPJMESA-N 396.495 -0.287 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccc3nnnn3c2)[C@H](OC)C1 942996496 PXKAETXDJUOPQD-APIJFGDWSA-N 386.412 -0.329 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 963735836 SUUGSJZRWGCVGH-FZKCQIBNSA-N 388.424 -0.537 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@@H]1O 964610519 GQDPGPUZNASTGS-OJLVUWQFSA-N 390.440 -0.052 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@@H]1O 964615525 XHOFPJJCSCJZOP-OJLVUWQFSA-N 388.424 -0.537 30 20 GBED N#Cc1cncc(N2CCNC(=O)CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)n1 1039672502 NEDMMWBKVCHXEG-LCEIHVTHSA-N 396.451 -0.073 30 20 GBED N#Cc1cncc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2CCCS2(=O)=O)n1 1055464688 DECZVQXLTOBSFI-MCIONIFRSA-N 376.442 -0.390 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 1074731942 DQJSDSIGBPJBRF-QXSJWSMHSA-N 393.484 -0.051 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1OC 1082227614 VMROSRQOFPRYJW-NHIYQJMISA-N 380.445 -0.665 30 20 GBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 1102165225 AEUMDTRZECVMFV-FPCVCCKLSA-N 380.489 -0.214 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(CC)nn1 1111197964 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393.465 -0.102 30 20 GBED N#Cc1ccccc1N1CCCN(C(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1 1323885873 RWYDRCSSQQRKLA-DOTOQJQBSA-N 399.451 -0.254 30 20 GBED C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC)CC1 1324007594 AUULZSWGFPLDSD-GFCCVEGCSA-N 382.490 -0.126 30 20 GBED CN1CCN(CC2(C)CCN(C(=O)C(=O)N3CC[C@](O)(CC#N)C3)CC2)CC1 1327038597 IWBITHHTXJJKND-HXUWFJFHSA-N 391.516 -0.260 30 20 GBED C=CCN(C(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1)[C@@H](C)COC 1327398754 BNHPNTSOUKPDFJ-HNNXBMFYSA-N 382.461 -0.368 30 20 GBED C=CCN(C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[C@@H](C)COC 1330376216 ZQGHYKATTYYHGN-AWEZNQCLSA-N 379.461 -0.063 30 20 GBED C=C(C)Cn1c(N2CCN(CC(=O)NCCOC)CC2)nnc1C1(O)CC1 1346373401 PGTMRFGKTDGMOE-UHFFFAOYSA-N 378.477 -0.280 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCC(C(=O)NCCCOC)CC1)[C@H]1CCCO1 1347038701 ITFSOWWMCGVTCF-HZPDHXFCSA-N 379.457 -0.325 30 20 GBED CCN(CC)C(=O)CNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1348834332 NWKAOGWFGOPKIE-ZDUSSCGKSA-N 387.444 -0.630 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)CCN1C1CC1 1351849901 VJUNWGQXJCQYBG-RDJZCZTQSA-N 387.484 -0.050 30 20 GBED C=C(C)CCC(=O)NC[C@@H]1COCCN1C(=O)CC(=O)NCc1cnn[nH]1 1575048735 GWOMBLRBNPVHQB-CQSZACIVSA-N 378.433 -0.489 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1c1cc(C)ncc1-c1nn[nH]n1 1588357346 LQYZZKLDTDJADY-ZIAGYGMSSA-N 385.428 -0.070 30 20 GBED COCC#CCN(CCO)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1591360177 AJPOZHXKQODEJN-OAHLLOKOSA-N 387.444 -0.257 30 20 GBED C=CCCn1cc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[nH]n3)cn2)nn1 1602846656 UHCSLPFKRWZHGB-LBPRGKRZSA-N 384.404 -0.368 30 20 GBED C[C@@H](C#N)C(=O)N1CCN([C@H]2CCN(c3cncc(-c4nn[nH]n4)n3)C2)CC1 1602982137 PCFDWDHLXXCDTK-STQMWFEESA-N 382.432 -0.461 30 20 GBED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cncc(-c2nn[nH]n2)c1 1606349207 FCPVFCBPXFFGQQ-UHFFFAOYSA-N 392.445 -0.502 30 20 GBED C=CCOC[C@@H](NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)C(=O)O 1609432326 OAGVNCNEEFHUON-GFCCVEGCSA-N 375.389 -0.492 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780244931 SXLOGIDTPASWQJ-UGSOOPFHSA-N 376.413 -0.196 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1781391267 SCCLPEHNHYGYBL-SUNYJGFJSA-N 380.445 -0.104 30 20 GBED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1785025901 ISOYTXOPQPZELG-AVGNSLFASA-N 391.428 -0.932 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOCC3)[C@H]2C1 1786721173 QKLCAVKQCALEMP-XSLAGTTESA-N 393.484 -0.663 30 20 GBED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1790877634 DXWXLBBYXKPXBS-AVGNSLFASA-N 384.387 -0.136 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C)CC3)C[C@@H]21 1791261250 HOMLXGHUGLMBTG-VGWMRTNUSA-N 384.546 -0.468 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1nnc(C)o1)C2 1793342713 MMVNMCQNYSAUQV-MBMVNNNZSA-N 376.413 -0.452 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)nn1 1794565740 DASFNTQPGNREIM-FAXLKDOZSA-N 390.440 -0.042 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1 1795893256 XOGSLXRNNCYFFH-AYDFFVQHSA-N 378.433 -0.331 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC(N)=O 1796316682 HPLCBMVTWVCXMM-RMEBNNNOSA-N 382.461 -0.386 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)OC)C2 1797709402 FEFRTWCCMZIKOU-XFMPKHEZSA-N 383.445 -0.495 30 20 GBED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800395503 JGIIVFBIGYJGEP-JYYAWHABSA-N 382.482 -0.043 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cc(O)ncn2)[C@@H]1c1cccnc1 1803744889 XLYBBBRMPWCMFQ-UGSOOPFHSA-N 395.375 -0.015 30 20 GBED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)C(=O)C3CC3)CC2)CC1 1833280211 FMCFBBAVBOAYKA-UHFFFAOYSA-N 375.425 -0.375 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834242295 XJCMAASDEIHWQN-HNAYVOBHSA-N 390.440 -0.472 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CSC(=N)N)CCO3)C2)CC1 1835509514 MWRMCEOBONNBCA-MRXNPFEDSA-N 381.458 -0.627 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1835749967 RJNFKFDOCUGZAX-YZVOILCLSA-N 396.488 -0.752 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1839229109 ZGUMNHGPAIXDNF-KXBFYZLASA-N 396.488 -0.195 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1839840977 PFGQVVCMNPAHAR-KHYOSLBOSA-N 379.457 -0.066 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1840422311 UXZIXQYLAHUAAQ-YJBOKZPZSA-N 375.429 -0.291 30 20 GBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1ccc(N3CCOCC3)cn1)C2 1846194966 LULSSUMOQKMCRQ-UHFFFAOYSA-N 398.419 -0.177 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCOC 255122930 VIROQDCWZZYCIA-UHFFFAOYSA-N 393.490 -0.117 30 20 GBED Cc1cc(NC(=O)CO/N=C(\N)C2=C(N)C3(CCCC3)N(C)C2=O)n(C)n1 267857314 FGTLPWFMOZPWCM-UHFFFAOYSA-N 375.433 -0.047 30 20 GBED CNC(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 268845624 GJOSFFPAIZMTME-GFCCVEGCSA-N 379.442 -0.291 30 20 GBED C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 286672377 BORWAELYBYMUQQ-HNNXBMFYSA-N 388.476 -0.122 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2COC3(CCOCC3)O2)cc1 290315659 DLSPDRJOXHKGFV-CQSZACIVSA-N 395.437 -0.125 30 20 GBED C=CC/N=C(/O)NC(=O)[C@H](C)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 330746057 FONHOBVCVKGXJR-KBPBESRZSA-N 388.490 -0.283 30 20 GBED N#CC1CN(S(=O)(=O)CCCCS(=O)(=O)N2CCCn3nccc32)C1 349597712 FHYDXVQVJXDJCR-UHFFFAOYSA-N 387.487 -0.012 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CC(=O)N[C@H](C)C1 349602645 QMVZUYVLFBGLSM-NEPJUHHUSA-N 380.492 -0.910 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 366294274 BSFIDWZTYDHTDM-GXFFZTMASA-N 391.413 -0.662 30 20 GBED N#Cc1ccc(O[C@H]2CCN(S(=O)(=O)N3CCS(=O)(=O)CC3)C2)nc1 490044858 MNZQOBPWAZKMEN-ZDUSSCGKSA-N 386.455 -0.618 30 20 GBED CCCN(CCC)S(=O)(=O)N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 490283541 HXNHNHZLPPIZFS-UHFFFAOYSA-N 383.478 -0.339 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nc3ccccc3n(C)c2=O)c1=O 508720563 NMQZLUDDNLBDAG-UHFFFAOYSA-N 381.392 -0.161 30 20 GBED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508912020 JPKXZBZEXPNERM-GFCCVEGCSA-N 396.411 -0.742 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1=O 520445907 UJFFRMXWFRSPMM-MJBXVCDLSA-N 383.470 -0.733 30 20 GBED C=CCSCCNC(=O)C(=O)N1CCC(N2C[C@H](C(=O)O)CC2=O)CC1 593778698 PZJIDPWFTJPMSK-GFCCVEGCSA-N 383.470 -0.054 30 20 GBED CC(C)Oc1cncc(=NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)[nH]1 594299026 YUJMDYGWLHBEMT-UHFFFAOYSA-N 386.416 -0.108 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1C[C@@H](C(N)=O)C1 594633939 ZQEHYKLJLWFGJU-PHIMTYICSA-N 386.455 -0.627 30 20 GBED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CC(=O)N(C)C 618433800 UMXWDNABPIOOSF-UHFFFAOYSA-N 387.465 -0.540 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)CC1 728533180 XIJSMTOHKOATLN-INIZCTEOSA-N 398.463 -0.058 30 20 GBED O=C(O)CCc1nc(COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)no1 739765297 BNEFHCRYTHNOIU-UHFFFAOYSA-N 394.365 -0.131 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 745387517 OOQQIVCBPWZAIL-FZMZJTMJSA-N 385.376 -0.402 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(C(=O)OC)c2)CC1 747262128 NBHOUPIUAPWRAA-UHFFFAOYSA-N 397.428 -0.332 30 20 GBED COC(=O)[C@@H]1COCCN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 752678689 OOURVTWTNIOAGZ-YPMHNXCESA-N 395.437 -0.096 30 20 GBED CC(=O)N1CCN(CCNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761013550 WKKOLTYEIVSKIF-UHFFFAOYSA-N 391.403 -0.053 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 761038677 QBEPXSLAGFCDJQ-KRWDZBQOSA-N 392.481 -0.422 30 20 GBED C#CCC[C@H](O)CNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 799078336 FFZOKLXVPMNVMJ-OCCSQVGLSA-N 379.438 -0.423 30 20 GBED N#CCNC(=O)CNC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 805107360 RCVRQHUJEIRASU-UHFFFAOYSA-N 385.368 -0.513 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](NC(C)=O)c2cccs2)CC1 831556891 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394.457 -0.622 30 20 GBED Cc1oc(NC(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(C#N)c1C 1319451092 JTOCCVQFNHVOPD-CABCVRRESA-N 396.469 -0.518 30 20 GBED C#CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1322925201 FBTSFLSWOAIMSE-UHFFFAOYSA-N 388.449 -0.079 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O 1323632834 OJIIMHFHMZTJAS-JTQLQIEISA-N 399.391 -0.627 30 20 GBED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2)CC1 1327818274 BJQSGOGSDBRLFU-UHFFFAOYSA-N 379.442 -0.875 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@H]1CS(=O)(=O)NC 1328728082 IGXVLFZDRFMFEG-HNNXBMFYSA-N 393.465 -0.145 30 20 GBED CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C(=O)N1CCN(CCC#N)CC1)CC2 1329395315 GIZSYBXHHRQVSF-HZPDHXFCSA-N 378.473 -0.177 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC(N2CCCNC2=O)CC1 1340477397 CTWNOTDHYUCXMS-UHFFFAOYSA-N 399.455 -0.112 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)CCN1C1CC1 1348616561 ILUWLPKCGFQTDC-WMZOPIPTSA-N 389.500 -0.244 30 20 GBED C#CCO[C@H](C)C(=O)NC1(CO)CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 1573287919 QJLWZRYMVBWGFO-GFCCVEGCSA-N 386.416 -0.858 30 20 GBED C=CCCOCC(=O)N[C@H]1CC[C@H](C)N(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575100033 KIOWIOABFWPPSX-KBPBESRZSA-N 392.460 -0.101 30 20 GBED C=CCN1CC[C@H](N[C@@H](CO)CNC(=O)c2ccc(-c3cnn[nH]3)nc2)C1=O 1575103646 HCSZLROOKKIBHB-HIFRSBDPSA-N 385.428 -0.666 30 20 GBED CN(C[C@@H](O)CN(C)c1cncc(C#N)n1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1579030299 QDHMFNPFPNDIHK-LBPRGKRZSA-N 382.388 -0.574 30 20 GBED N#Cc1cccc2c1CN(C(=O)CCn1cc(-c3nn[nH]n3)c(O)nc1=O)C2 1581875790 PRTAWHWHFCMKRY-UHFFFAOYSA-N 378.352 -0.067 30 20 GBED N#Cc1cccnc1N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1581876591 XPPMWZXIEPQIKH-KRWDZBQOSA-N 379.384 -0.167 30 20 GBED C#C[C@@H]1COCCN1CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O 1588330983 MYFSNDKFDPKKCH-OAHLLOKOSA-N 381.396 -0.078 30 20 GBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1588361720 RROKOYJQZMWTPV-CYBMUJFWSA-N 387.400 -0.808 30 20 GBED C#Cc1ccc(C(=O)NC[C@H]2CN(c3ccc(-c4nn[nH]n4)nn3)CCO2)nc1 1588371411 GNDSVFHALXEOJX-ZDUSSCGKSA-N 391.395 -0.332 30 20 GBED C=CCNC(=O)NC(=O)CN1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588658261 FAVNOXUYKZRTSM-LLVKDONJSA-N 387.404 -0.989 30 20 GBED N#Cc1cn(CC(=O)O)c(=O)n(CC(=O)NCc2ccc(Cl)cc2)c1=O 1594633086 MTEIXKOTCCVREU-UHFFFAOYSA-N 376.756 -0.064 30 20 GBED COCCN1CCN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)CC1=O 1605105238 UNNNLPVQWPHYOJ-OAHLLOKOSA-N 383.412 -0.134 30 20 GBED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C[C@H](O)C[C@@H]2C(=O)O)CC1 1608173079 AZSILEWCJRSEIV-MGPQQGTHSA-N 378.454 -0.023 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1778729161 POCSIIJNPOEKCF-FQEVSTJZSA-N 397.387 -0.539 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779088279 RXMNGLCFLNTGDH-SJLPKXTDSA-N 399.513 -0.614 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780060479 BPHLWIXSAOKABE-IBGZPJMESA-N 396.407 -0.163 30 20 GBED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4c(O)nnc34)[C@H]2C1 1787386229 VOVZKNOAJNXPIY-UBHSHLNASA-N 384.396 -0.058 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)N(C)C)C[C@@H]21 1788573019 MEDZJULVVPRUKP-AJNGGQMLSA-N 381.473 -0.373 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)NCC)C2 1793358152 SWKUEDJBUYCUDQ-NPJQDHAYSA-N 396.488 -0.125 30 20 GBED CC(C)N[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)C(C)C 1795718760 OXJLTCUXVXNJGO-LTCOOKNTSA-N 379.457 -0.313 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccc2[nH]1 1796822739 GKRVWPRAIJQNDK-DPIQGUFMSA-N 382.376 -0.146 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2 1797712330 CTDCYODZQNWNPM-RMEBNNNOSA-N 392.460 -0.603 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1800451832 HKKAFLFRIWVCNM-XOIINTDNSA-N 391.449 -0.537 30 20 GBED N#CCCC(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1806862651 GMAAPUQSLSPTTD-MPGHIAIKSA-N 386.456 -0.016 30 20 GBED N#CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](O)N2CCOCC2)n[nH]1 1819444146 RMLKLOFRYOHMMO-SUMWQHHRSA-N 376.417 -0.034 30 20 GBED CN(C)C(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830051099 WWKZCQXINCOUHP-SFHVURJKSA-N 395.460 -0.736 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1831390986 CMUANHNQHKLZHM-OXJNMPFZSA-N 394.468 -0.092 30 20 GBED COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1833509022 UYNZALPXYODBKM-SJCJKPOMSA-N 396.469 -0.127 30 20 GBED CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)n[nH]1 1833821850 RFEHGWCLPRFDPP-GOSISDBHSA-N 389.412 -0.014 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncon3)CCO2)C1 1838313899 MYTMBPPOPDGFRZ-GUYCJALGSA-N 380.401 -0.269 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC=CO3)C2)C1 1840042468 WURYNETVTNBZFK-RDTXWAMCSA-N 378.381 -0.777 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1840844872 PXPBRNBHEPGDBD-KRWDZBQOSA-N 393.469 -0.233 30 20 GBED O=C(CN1C(=O)C=CC1=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844260361 RSWXVQFAAUUKTK-RGVLZGJSSA-N 387.440 -0.414 30 20 GBED COc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCC#N)cc1OC 19468112 DQCQZWYHKOWLHL-UHFFFAOYSA-N 385.398 -0.445 30 20 GBED C[C@@H](OC(=O)CNS(=O)(=O)c1cnn(C)c1)C(=O)NC1(C#N)CCCCC1 108760696 BFZKMGMFZICUKO-GFCCVEGCSA-N 397.457 -0.027 30 20 GBED COC(=O)Cc1nnc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)[nH]1 268894222 YUKHBMMCFXFWDM-SECBINFHSA-N 392.397 -0.303 30 20 GBED C[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 271178705 WQJABZCCGZSDPV-PFMFLNCGSA-N 382.442 -0.065 30 20 GBED C=CCNC(=O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 271975099 KQEWUKIYROMLEV-CYBMUJFWSA-N 383.474 -0.154 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C)c1cc[nH]n1 278062888 VCFMKZNSCPJWCE-SQOMMQFJSA-N 386.430 -0.273 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C1=O 286909113 GNCLTGYGQDOUPR-GHMZBOCLSA-N 390.362 -0.489 30 20 GBED C[S@](=O)C1(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 289667320 MNPYCSYEIAQVLG-SANMLTNESA-N 375.454 -0.371 30 20 GBED C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 297599443 ANPBQXSXVMUGJV-UONOGXRCSA-N 375.429 -0.808 30 20 GBED COCCN1CCN(C(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 297841133 NTTZXVWJPFOJCI-INIZCTEOSA-N 387.440 -0.276 30 20 GBED CS(=O)(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 298317488 KLQCDWDBZIKWST-UHFFFAOYSA-N 385.467 -0.174 30 20 GBED N#CC1(CS(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 329641557 XUCATIJUQRZLSD-CYBMUJFWSA-N 377.488 -0.254 30 20 GBED CCN1CCN(C[C@@H](C)C/N=C(/O)N2CCN(S(C)(=O)=O)CC2)CC1 329776810 OMSBVPVITGTLEH-HNNXBMFYSA-N 375.539 -0.249 30 20 GBED C[C@@H]1C[C@@H](/N=C(/O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CCN1C 329817451 WQUPNVBQQQYXMO-OLZOCXBDSA-N 379.465 -0.655 30 20 GBED C[C@@H]1CN(C(=O)C/N=C(/O)c2cccc(S(=O)(=O)N(C)C)c2)CC(=O)N1C 330402092 OKXSZJFEYRGLBP-GFCCVEGCSA-N 396.469 -0.069 30 20 GBED C[C@@H]1CN(C(=O)C/N=C(/O)c2cccc(S(=O)(=O)N(C)C)c2)CC(=O)N1 331300776 DXEZVOHHHNBGBQ-LLVKDONJSA-N 382.442 -0.412 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@]3(C2)NC(=O)NC3=O)CC1 333175421 QXGSZWZVLNLRAE-KDOFPFPSSA-N 376.461 -0.647 30 20 GBED C[C@@H]1C[C@@H]1CNS(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 349567345 NCERPCCKSFUVDR-GHMZBOCLSA-N 375.476 -0.001 30 20 GBED N#Cc1ccc(CN2CCCN(C(=O)C(=O)N3CCO[C@H](CN)C3)CC2)cc1 423039140 PXHBLURHNLXJCO-GOSISDBHSA-N 385.468 -0.221 30 20 GBED CCOC(=O)[C@](C)(O)CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 468965378 NCGWSOBLQPPRCD-MRXNPFEDSA-N 383.426 -0.391 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)CO)CC1 544216337 LMQWFGVXEHZEDK-UHFFFAOYSA-N 390.396 -0.815 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)c3cc(S(N)(=O)=O)cn3C)CC2)c1C#N 552188611 AWFOIOZLRFPLMW-UHFFFAOYSA-N 391.457 -0.452 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC3(CC2)CNC(=O)C3)c1 555063502 QKFNDGVMMFNAMT-UHFFFAOYSA-N 376.438 -0.035 30 20 GBED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CC(O)(C(F)F)C2)c1 576292210 HCXOONVOSWAYMZ-UHFFFAOYSA-N 381.382 -0.511 30 20 GBED COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)NCC(=O)NCC#N 578758165 XQCYXWLIKBHYDK-UHFFFAOYSA-N 388.428 -0.156 30 20 GBED COC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 594628929 PWCYDRJIHURONN-WDEREUQCSA-N 377.444 -0.837 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCNC2=O)CC1 603604772 INRMWACRUCXJFG-UHFFFAOYSA-N 391.453 -0.194 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 728534443 LBWYQDUOPXQGIT-SFHVURJKSA-N 382.464 -0.071 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2cc(C(=O)OC)co2)C1=O 729118718 CTTAZNQDZXQEHI-UHFFFAOYSA-N 378.293 -0.231 30 20 GBED C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCNC1=O 729687588 TZSWYUPWODKOLI-NSHDSACASA-N 394.409 -0.024 30 20 GBED CCn1cc(C#N)c(=O)n(Cc2c(C)nn(CCS(C)(=O)=O)c2C)c1=O 797805356 PKJLXUKTYTUTKP-UHFFFAOYSA-N 379.442 -0.192 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1)[C@H]1CCCO1 809308038 IVQSRTBYTPTDPL-UONOGXRCSA-N 391.428 -0.843 30 20 GBED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cn1 839378413 IERSWEODFYTWLQ-UHFFFAOYSA-N 385.449 -0.660 30 20 GBED C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)[C@H]1CCCO1 848942212 AOQZRUFTUBOFQA-HUUCEWRRSA-N 383.451 -0.052 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1 850710278 XQARESNFSLRGIX-UHFFFAOYSA-N 378.517 -0.029 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)CN2CCCC2)C1 990876481 QKHOZQMWZYMCEU-NCOADZHNSA-N 388.472 -0.167 30 20 GBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2CC(=O)NC2=O)c1 999325101 DBRYOEFYBIYLGJ-ILXRZTDVSA-N 381.392 -0.524 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)CC(N)=O)CC1 1001832550 WUOXLQIDSDNOPA-BSXFFOKHSA-N 379.457 -0.035 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)Cn1c(O)nnc1O)C2 1008388477 WLCUMVVIVFEQRC-YFQWEKLQSA-N 391.428 -0.222 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 1022982818 ARCYIXCBVAAKPB-HZMVEIRTSA-N 375.425 -0.007 30 20 GBED CCS(=O)(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 1092870547 YJPLBWKHUQCIFZ-RDBSUJKOSA-N 378.458 -0.144 30 20 GBED COC(=O)c1ccc(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(C#N)n1 1261558409 GOWIHUAKVWQQCP-GJZGRUSLSA-N 380.426 -0.980 30 20 GBED C=CCOCCNC(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1327818886 OZTVVJMXEIUYPY-CALCHBBNSA-N 394.516 -0.046 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cc(F)cc3c2OCOC3)CC1 1332508481 WKEWLYHHPXHBLS-UHFFFAOYSA-N 397.428 -0.154 30 20 GBED C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1nnnn1C 1514766241 GFWCSFQFZVUIJX-SNVBAGLBSA-N 377.430 -0.094 30 20 GBED N#Cc1cn(CCC(=O)N2CSC[C@@H]2C(=O)NCC2CC2)c(=O)nc1O 1540498827 QGYQNAOJPPAHFO-GFCCVEGCSA-N 377.426 -0.362 30 20 GBED CN(CCc1cccc(C#N)c1)C(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O 1571152040 BNHWCZDLEILCHV-UHFFFAOYSA-N 380.368 -0.298 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F 1573288970 ZOHOZISTNJMBOE-BXUZGUMPSA-N 376.392 -0.389 30 20 GBED CN(C(=O)[C@@H]1CCCN1Cc1cnn[nH]1)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 1576733481 IIUXJLLZNBWMNI-INIZCTEOSA-N 382.428 -0.048 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1c1cc(C)ncc1-c1nn[nH]n1 1588357344 LQYZZKLDTDJADY-UONOGXRCSA-N 385.428 -0.070 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[nH]n4)n3)C[C@@H]2O)cc1 1588370085 MIPMAFIDTBECOJ-CVEARBPZSA-N 390.407 -0.074 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)O)c2ccnn2C)c1 1588431795 XVGDTTGTQHFPSQ-CQSZACIVSA-N 376.394 -0.113 30 20 GBED C=CCCO[C@@H](C)C(=O)NC[C@H]1COCCN1c1cncc(-c2nn[nH]n2)n1 1588608001 BRWMLBQDSLVPBZ-STQMWFEESA-N 388.432 -0.041 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588665348 JNVOGYXCJNXRRW-VXGBXAGGSA-N 389.416 -0.257 30 20 GBED C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588728930 YSIHFSACKBCUNR-HONMWMINSA-N 392.441 -0.007 30 20 GBED CC(C)(C)C#CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 1589068921 ZJVXQHHSDYGNNG-SMDDNHRTSA-N 385.428 -0.064 30 20 GBED C[C@@H](C#N)C(=O)N1CC[C@@H](N2CCN(c3nccnc3-c3nn[nH]n3)CC2)C1 1602982122 OHLSDGCCFWYVHL-QWHCGFSZSA-N 382.432 -0.461 30 20 GBED CC(C)CN1CCN(C(=O)C(=O)N2CCC(C#N)(C(=O)O)CC2)[C@H](C)C1=O 1609699137 TZKZYCUKEHMYQM-CYBMUJFWSA-N 378.429 -0.081 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1778980721 ZLFXSMTYTHVVTQ-KUHUBIRLSA-N 390.440 -0.214 30 20 GBED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1779103869 CBBCPTRFMWPFJQ-DDGWYSKLSA-N 392.416 -0.223 30 20 GBED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783683343 XSMFJPLLUPTXRO-JONQDZQNSA-N 394.472 -0.333 30 20 GBED Cn1cc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cn1 1787013158 ULUFRSCUCMCUGL-JYJNAYRXSA-N 388.424 -0.580 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(C)=O)[C@H]2C1 1790865203 RLYNMHZIDNRTBP-PTTAZLHSSA-N 379.457 -0.471 30 20 GBED CCCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077147 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C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1831402290 SZEHQDUWGXVGRP-KXBFYZLASA-N 395.456 -0.993 30 20 GBED CN(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835672502 CZWKZWLKAUUVNU-IBGZPJMESA-N 395.504 -0.714 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C)C2)C1 1837394733 IWWGLFPXOAKZQO-BEFAXECRSA-N 383.489 -0.423 30 20 GBED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C(F)(F)F 1840044265 ARQQFRURQZUVLH-OAHLLOKOSA-N 390.314 -0.351 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1840160033 UYQNFAQEYWBWGK-YGRLFVJLSA-N 376.504 -0.612 30 20 GBED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1)C(F)(F)F 1840921494 AXPPNWRHKWPIFF-CQSZACIVSA-N 394.350 -0.770 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NC(=O)CC 1847258892 JDJLJGLJKSPVLG-XNZLPNGMSA-N 376.457 -0.039 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)C1=O 266037464 KGIARMAGNJGADV-NSHDSACASA-N 388.384 -0.992 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)OC)co2)CC1 270008379 LINUJIWDJDHAAE-UHFFFAOYSA-N 383.426 -0.488 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)C1=O 280987254 ADZJIUMNGJPZIY-BBZRCZKMSA-N 375.425 -0.217 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1=O 281334910 KZYPDZYLRMVRKW-GFCCVEGCSA-N 388.428 -0.931 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N[C@@H](C(=O)OC)[C@H](C)CC)c1=O 299504946 HKUFNWHNRLMDDJ-TZMCWYRMSA-N 394.428 -0.752 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C2CC2)C1 349450479 AKGDNFDJTRBOOX-NSHDSACASA-N 378.476 -0.856 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 349457196 DQEPTOODIOIHRG-VQJWOFKYSA-N 389.499 -0.235 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 349467148 MYFJAKNWAATFIO-LXTVHRRPSA-N 389.499 -0.233 30 20 GBED CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C)C[C@H]1C 349478449 SEDAIJGSGYFISG-OLZOCXBDSA-N 394.519 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Cn1c(NCCS(=O)(=O)NCc2ccccc2)c(C#N)c(=O)n(C)c1=O 515550704 CIWBVPCYPPJSNF-UHFFFAOYSA-N 377.426 -0.513 30 20 GBED CN(CC(=O)NCc1ccc(C#N)cc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 533494449 KLWPSIJFHPOKCT-OAHLLOKOSA-N 378.454 -0.590 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@](C)(O)CN2CCOCC2)n1 540265424 NGPITLBVOUNNKX-SFHVURJKSA-N 392.460 -0.352 30 20 GBED COC[C@H](CCO)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 563428797 IDZJWQJAGNCENV-RYUDHWBXSA-N 391.471 -0.447 30 20 GBED CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 575762414 TVTGNDDHAFMTHA-UHFFFAOYSA-N 386.455 -0.612 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 582073428 DDAAODYZOQGUOH-ZFWWWQNUSA-N 378.454 -0.465 30 20 GBED N#CCC(=O)N1CCN(C(=O)CCC(=O)Nc2ccc3nc(O)[nH]c3n2)CC1 583093154 GDACCAYZWXHVJZ-UHFFFAOYSA-N 385.384 -0.033 30 20 GBED CS(=O)(=O)N1CCN(CC(=O)N2CCN(c3ccsc3C#N)CC2)CC1 597936382 NRPIRBULYKHBAD-UHFFFAOYSA-N 397.526 -0.154 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1 598174878 HYDFQFOYWDOERY-ZFWWWQNUSA-N 376.438 -0.036 30 20 GBED N#C[C@]1(F)CCN(CC(=O)N2CCN(C(=O)CN3CC[C@@](F)(C#N)C3)CC2)C1 615646911 QRWZNIALTOEHRS-QZTJIDSGSA-N 394.426 -0.468 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCc3c2cnn3CCO)C1=O 623220785 RZQYHLJXQLXFHZ-GFCCVEGCSA-N 375.385 -0.654 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3nc(N(C)C)n[nH]3)CC2)C1=O 670399031 YXUGEOLGHHUUJD-UHFFFAOYSA-N 389.416 -0.447 30 20 GBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 727006663 GCPBQGIPWXWUIZ-NSHDSACASA-N 385.446 -0.442 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1cccc(-n2cnnn2)c1 731851348 SJVSMLAVAHWZFU-CCEZHUSRSA-N 389.397 -0.533 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1 743336042 AVZBKCCNPWTLMI-KRWDZBQOSA-N 396.447 -0.601 30 20 GBED COCCN(CCC(=O)OC)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 810436285 GKEPHYWZPKMTCR-UHFFFAOYSA-N 383.426 -0.125 30 20 GBED C#CCNC(=O)COC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 811679503 QFHBVAIJLMKTST-GFCCVEGCSA-N 395.437 -0.652 30 20 GBED CN1C(=O)N[C@](C)(c2ccc(NC(=O)C(=O)N3CC[C@@](O)(CC#N)C3)cc2)C1=O 847532265 BYUNQMSETWOVAS-MOPGFXCFSA-N 399.407 -0.101 30 20 GBED C#CCCN(CCOC)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 856389032 ZHLIHWAXPYBVSO-ZDUSSCGKSA-N 381.454 -0.049 30 20 GBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 919067278 FNUJAORRKQORJG-NSHDSACASA-N 387.396 -0.203 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](OC)C1 943094786 HXLBDLNGONACFS-CFAJVAMVSA-N 393.440 -0.638 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cnn(C)c1 982300026 PSQTVBMCZFNFJM-AFIMGQEJSA-N 389.456 -0.313 30 20 GBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2CCNC(=O)C2)c1 1004922216 GPOQTBDQLCTIRJ-ZACQAIPSSA-N 381.436 -0.644 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@@H]1n1ccnn1 1070051884 VJPUFFQOROPVCC-IVSAIRAKSA-N 386.460 -0.071 30 20 GBED COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)cc1C#N 1077669864 RNCOJXHEAADQIY-TXCZRRACSA-N 388.424 -0.739 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCN(C)C1=O 1110919663 IYULYVSHFCNOMT-QXSJWSMHSA-N 375.473 -0.052 30 20 GBED C=CCN(CC=C)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 1220383112 YPMXQLWTJVAUPF-KONPQCLYSA-N 387.484 -0.115 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCC(c2cn[nH]c2)CC1 1258384237 WFLPCPRWCGDZOT-NXVVXOECSA-N 386.412 -0.242 30 20 GBED C#CCCCNC(=O)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 1326771206 VBUQQWPYIZNYTL-UHFFFAOYSA-N 381.458 -0.781 30 20 GBED C#CC[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1)c1ccccc1 1350574245 VMSWJFIKMBUSSF-INIZCTEOSA-N 392.481 -0.182 30 20 GBED C#CCOCCC(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 1573287744 FFDXAODAHQOEMN-UHFFFAOYSA-N 384.444 -0.460 30 20 GBED C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1573582863 HRCJZVANODHAME-LLVKDONJSA-N 385.432 -0.335 30 20 GBED C#CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)COCC2CC2)CC1 1575004683 IXDJMEMVZMUFPT-UHFFFAOYSA-N 388.472 -0.226 30 20 GBED C=CCNC(=O)[C@H](C)N1CC(N(C)C(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575103910 JVHGARJNPWSGLA-BBRMVZONSA-N 375.477 -0.398 30 20 GBED C[C@@H](C#N)C(=O)N(Cc1cnn[nH]1)C1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 1575179336 UJGDKWVRQSZWOT-FZMZJTMJSA-N 388.432 -0.692 30 20 GBED N#Cc1cc(C(=O)NCC2[C@@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@@H]23)c[nH]1 1581866174 UZBCFXQYYJFOJO-STQMWFEESA-N 376.384 -0.031 30 20 GBED C=CCOCC(=O)N[C@@H](C)[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1588672136 SEYNZZTWZOFABK-FZMZJTMJSA-N 389.416 -0.257 30 20 GBED C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588728929 YSIHFSACKBCUNR-GDLCADMTSA-N 392.441 -0.007 30 20 GBED CN(CCOCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1cncc(C#N)n1 1591110879 UNHXLWLTCLBWHV-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED O=C(CC#Cc1ccccc1)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)nn1 1592803350 UAICVIREFRAFCT-CQSZACIVSA-N 378.396 -0.013 30 20 GBED CN(C)CCN1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)O)CC1=O 1598232228 HKXKDXJNFKLEQI-UHFFFAOYSA-N 380.426 -0.349 30 20 GBED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)[C@H](CC(=O)O)C1 1602765759 IXGHTWHVHLTGDL-QJPTWQEYSA-N 387.462 -0.264 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[nH]n3)C[C@@H]2O)nn1 1602846367 JKSYPWRAXGTTKT-OCCSQVGLSA-N 396.415 -0.591 30 20 GBED N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)C(=O)O)CC2)c1 1605601227 BXTBKEAVKDUQDO-UHFFFAOYSA-N 383.357 -0.508 30 20 GBED C[C@H](CC(=O)NC[C@H](O)Cn1ccnn1)/N=C1/NS(=O)(=O)c2ccccc21 1638697193 LNXVKEHIYZZRRW-NEPJUHHUSA-N 392.441 -0.728 30 20 GBED Cc1cn(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)c(=O)nc1O 1786369457 DDTZUUPDGIUXAB-IHRRRGAJSA-N 389.412 -0.849 30 20 GBED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC)NC(C)=O)C[C@@H]21 1791268120 PZCXDIPKBZEGJJ-XSLAGTTESA-N 393.484 -0.079 30 20 GBED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CNC(=O)C2)C3)cc1 1792558784 CEJWHGZQPPACTN-LJCCNALRSA-N 396.447 -0.174 30 20 GBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC(C)=O)OC(C)=O 1797794259 ZVPNUEKGAQNQII-JYYAWHABSA-N 382.413 -0.353 30 20 GBED O=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)=NN1 1797838001 OERKTDDZEXDXFF-DJXZEJORSA-N 387.396 -0.836 30 20 GBED N#CCCC(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1807192554 QQLGIENXVYFQRD-IIDMSEBBSA-N 386.456 -0.016 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1831499426 SJKIURZASIVXMK-CZUORRHYSA-N 388.490 -0.935 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4CNC(=O)O4)CCO3)C2)CCC1 1831578873 ONDRGDFZSCDRJC-SCLBCKFNSA-N 392.412 -0.755 30 20 GBED CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1832290238 VKCWNKKGTDZIRN-SFHVURJKSA-N 380.445 -0.385 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](CC)NC)CCO2)C1 1835904006 HNJTVHWTGQCZKW-GPMSIDNRSA-N 381.473 -0.521 30 20 GBED C[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)O1 1836609794 UFWOUPUJKYQUHD-HBUWYVDXSA-N 380.397 -0.902 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1839810634 JWFBLQNLXPUNMS-SFHVURJKSA-N 381.429 -0.399 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1840158347 JPOHYXHOTDNNGZ-FZKQIMNGSA-N 395.481 -0.226 30 20 GBED Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)no1 1840159194 YQOVFHUQWBVVNX-BZNIZROVSA-N 384.458 -0.305 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](C)Cn1cncn1)C2 1841055108 WAAUXSUELPJQRX-YVACAVLKSA-N 386.456 -0.024 30 20 GBED NC(=O)CC[C@H](N)C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844258712 KLACHNGQXWQSGQ-FVUPAENESA-N 378.477 -0.746 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)nc2cccnn12 1847805802 IHEZXMSZCDSGQY-KKUMJFAQSA-N 395.419 -0.057 30 20 GBED CN(C)C(=O)CN/C(=N/C1CC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 262303862 OGBNHHDUHMEJRI-UHFFFAOYSA-N 398.489 -0.682 30 20 GBED CN1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 267509651 PTINVBKTWRCQGC-AWEZNQCLSA-N 391.453 -0.195 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 281784479 NNCUOVWZZKEPJC-CQSZACIVSA-N 393.473 -0.034 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCn4cnnc4C3)C2=O)cc1 288878889 LXIVXMGRSAFBHZ-OAHLLOKOSA-N 393.407 -0.196 30 20 GBED C=CCN1CC[C@@H](N(C)S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C1=O 329545898 ZUUSHDFSLIHFLK-CQSZACIVSA-N 393.531 -0.294 30 20 GBED O=S1(=O)CCC[C@H]1CN/C(O)=N/CCS(=O)(=O)N1CCSCC1 330083269 QKAJPEARPOIYFR-NSHDSACASA-N 385.533 -0.554 30 20 GBED C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1cccc(C#N)n1 349454283 BENKXJPGGIKRCH-YPMHNXCESA-N 388.471 -0.130 30 20 GBED COC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc(C)c(C#N)cn2)C1 349499755 KLMLRPKOPNHTJX-UHFFFAOYSA-N 388.471 0.054 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(=O)n(C)c1 349514273 DSGHYYHOSXUXHE-LBPRGKRZSA-N 390.487 -0.062 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCCS(=O)(=O)N2CCCOC2)nc1 349607564 ZZHDRBXEFRQJPZ-UHFFFAOYSA-N 388.471 0.485 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1=O 374062962 UBKUVEUDNLCFAE-HOTGVXAUSA-N 378.473 -0.588 30 20 GBED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 415860566 NFJIMXLKDGDENO-UHFFFAOYSA-N 395.416 -0.918 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](CO)OC(C)(C)C3)CC2)o1 420939008 MYURBXIVBNINSM-CQSZACIVSA-N 377.445 -0.025 30 20 GBED Cc1ccc(C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1S(=O)(=O)NCC#N 431608007 XPCNOOHVOZVHKV-CYBMUJFWSA-N 377.426 -0.354 30 20 GBED C=CCn1c(C)nnc1S(=O)(=O)CC(=O)N1CCN(C(=O)C2CC2)CC1 438745206 OZIQGPOBXLOQNE-UHFFFAOYSA-N 381.458 -0.373 30 20 GBED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 442049264 YCISWJFAQSMYGZ-SNVBAGLBSA-N 393.306 -0.139 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)N(CCN1CCN(C)CC1)CC(=O)OC 499746421 DOVUMKUZSKLQGQ-OAHLLOKOSA-N 389.522 -0.565 30 20 GBED N#Cc1ccc(NC(=O)C(=O)NCCC(=O)NC(N)=O)cc1Br 499834476 CXJYCKHTWOFYOJ-UHFFFAOYSA-N 382.174 -0.040 30 20 GBED COC(=O)CCNS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 570107004 RIEHMHLGEROOIQ-UHFFFAOYSA-N 387.439 -0.138 30 20 GBED COCCN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)Nc1cc(C)n(CCC#N)n1 594307508 CUTWTOPUUMXDQS-LLVKDONJSA-N 391.350 0.442 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CCOCCOC)CC2)C1=O 652472270 CRYAWKMIQDAKKA-MRXNPFEDSA-N 396.488 -0.961 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1 728608690 PNOBNOHGJXIPAV-UHFFFAOYSA-N 398.872 -0.505 30 20 GBED Cn1c(=O)ccn(CC(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1=O 730406187 WOQAMBZCLXVAJN-UHFFFAOYSA-N 382.785 -0.423 30 20 GBED CN(CC(=O)OCCn1ncc(C#N)c1N)C1=NS(=O)(=O)c2ccccc21 731771483 ACRWXOABIYHACX-UHFFFAOYSA-N 388.409 -0.039 30 20 GBED C#C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1)[C@H]1CCCO1 773797341 RHMBMQNFQZENAE-HUUCEWRRSA-N 387.392 -0.175 30 20 GBED C#CCn1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)cn1 816371269 XKVKECSAVXHGGF-LBPRGKRZSA-N 389.437 -0.402 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CC(C#N)C2)cc1 848533600 LQZYQQJWLSDQHO-UHFFFAOYSA-N 378.435 -0.022 30 20 GBED C#Cc1cccc(NC(=O)CN(C)C(=O)CNS(=O)(=O)c2cnn(C)c2)c1 918329870 ICYVKGSQHFZWJV-UHFFFAOYSA-N 389.437 -0.223 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2CCNC(=O)C2)nc1 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C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)(C)C)C2)C1 1831394116 WSQWFKOIPFFBPG-UZLBHIALSA-N 395.500 -0.131 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1831419475 MGVNLKVIYXRPQK-XTUQQUOLSA-N 382.457 -0.195 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1832460878 IGRBVIFLNHRETA-QGZVFWFLSA-N 385.486 -0.373 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834167805 AJYKAWLBCOZTJX-BEFAXECRSA-N 390.440 -0.472 30 20 GBED Cc1ncoc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834369635 OEQDOBOOMPQICS-QGZVFWFLSA-N 377.353 -0.859 30 20 GBED N#CCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1834400561 VZKARXRQDVBFNW-LJQANCHMSA-N 393.488 -0.878 30 20 GBED CCOC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)CC1 1834767596 VKZNLPBWUUXEEV-QGZVFWFLSA-N 379.413 -0.300 30 20 GBED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835359328 DBUINJLIYVVNDH-YJBOKZPZSA-N 390.444 -0.326 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)O)C2)C1 1839176408 NETDXDIUOGEENP-KBXCAEBGSA-N 384.429 -0.667 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2)C1 1839806874 MKITZIXTHRNZTG-LJQANCHMSA-N 395.456 -0.057 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1839808548 SSGXSTSJIYLFNJ-GOSISDBHSA-N 376.413 -0.767 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840421313 OLKQSCMXISWWBE-WWGRRREGSA-N 383.474 -0.386 30 20 GBED COC1(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CCC1 1840618381 DQPCYBJXFIXQDX-LJQANCHMSA-N 394.424 -0.510 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2 1845251906 UJRITTFTZDGQGC-LBPRGKRZSA-N 379.417 -0.458 30 20 GBED CNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31256817 OJTFMTLDALFXDL-GFCCVEGCSA-N 379.442 -0.291 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCn3c(Br)cnc3C2)C1=O 277546710 SKWZHYWRLKLJCM-UHFFFAOYSA-N 396.201 -0.035 30 20 GBED CNS(=O)(=O)NC1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 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391.453 -0.168 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)Nc2nnc(CCC(=O)OC)s2)CC1 438317083 IHQDHCVJQRQUBX-UHFFFAOYSA-N 396.473 0.095 30 20 GBED C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C[C@@H](C)N1CCO 453924959 BQDNNQWKNODUTE-BETUJISGSA-N 376.461 0.362 30 20 GBED CCN(C[C@H](C)C#N)C(=O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 470371799 IHICLSZWPHGZML-CQSZACIVSA-N 377.445 -0.712 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)CCCN3C(=O)CN(C)C3=O)CC2)c1C#N 472245566 CFUNPLPHNNVDDU-UHFFFAOYSA-N 387.444 -0.077 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(CCS(N)(=O)=O)CC2)c(Cl)c1 503455069 LDIRGMIFVLPHFS-UHFFFAOYSA-N 392.890 -0.194 30 20 GBED CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)NCC(=O)NCC#N)ccc21 509018859 YIEVTGUTZAJOBJ-UHFFFAOYSA-N 385.380 -0.101 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCCCC(N)=O)cc1 517041068 DVQRIFXWESLIFL-UHFFFAOYSA-N 388.471 -0.235 30 20 GBED C=CCCO[C@H](C)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 522860410 SHNWWPWLUOZKOM-HUUCEWRRSA-N 387.502 -0.585 30 20 GBED CN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[C@H]1CCN(S(C)(=O)=O)C1 556313773 HEBARKACVNNWEV-LBPRGKRZSA-N 396.473 -0.059 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1 557542700 IQCVJFKSJOFCKD-JGGQBBKZSA-N 376.438 -0.051 30 20 GBED COC(=O)c1ccc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c(C#N)n1 563633757 BXGKGBBYVFBJBJ-UHFFFAOYSA-N 385.384 -0.794 30 20 GBED N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 609108718 FQETZJLOGLHETO-QGZVFWFLSA-N 394.439 -0.115 30 20 GBED CC#CC[C@H](CO)NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 645882386 MSCLTXNWKNMKQI-DIFFPNOSSA-N 395.437 -0.198 30 20 GBED C[C@H]1CCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](n2cncn2)C1 794524092 VKLZGWUOYVBQSF-JQWIXIFHSA-N 395.445 -0.629 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 804052100 WOJFWVLCKKOBRF-QWHCGFSZSA-N 389.460 -0.766 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CCCO1 809314124 YFLNOSIKKGLUTA-HOTGVXAUSA-N 376.457 -0.950 30 20 GBED 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C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835575627 VSUSYPNZOXSDSO-LJQANCHMSA-N 395.504 -0.082 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835707881 SVPTZGLNNKNQHX-JOQOYGCGSA-N 394.497 -0.144 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1837403044 HCQMWWGOPKXRHG-BEFAXECRSA-N 397.472 -0.848 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839517101 IYNZDVCKJJEYCJ-SFHVURJKSA-N 389.412 -0.351 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042422 UWCLPYXTQZDMPE-IFXJQAMLSA-N 394.424 -0.896 30 20 GBED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1840294509 IEPVVYWSPRATEQ-VQIMIIECSA-N 379.457 -0.229 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1 1841961668 VYHQNHHQVCBFBC-LBPRGKRZSA-N 392.412 -0.703 30 20 GBED C#CCCCCC(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1846488539 YJGUDEUEAURZFN-UHFFFAOYSA-N 383.412 -0.177 30 20 GBED CCn1c(=O)/c(=C\c2cc(C#N)n(C)c2)s/c1=C(/C#N)C(=O)N1CCOCC1 189555664 KWIXORMBNVWOBH-ZWWMINTRSA-N 397.460 -0.498 30 20 GBED C/N=C(/NCc1c[nH]nc1C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261822340 URJCMBNFZMCTME-UHFFFAOYSA-N 381.462 -0.071 30 20 GBED CCOC(=O)CN(CC(N)=O)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 299643229 IIPIMOJBSIPVAW-UHFFFAOYSA-N 381.410 -0.650 30 20 GBED CN1CCN(C(=O)CC/N=C(/O)N2CCC[C@@](O)(C(=O)N3CCCC3)C2)CC1 329037878 NKVKVCIQVDHERG-IBGZPJMESA-N 395.504 -0.486 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC[C@@]1(N2CCOCC2)CCSC1 374445690 BPHLVGNAJLBXKR-HNNXBMFYSA-N 392.547 -0.109 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C)C[C@H]3CCC[C@@H]3O)CC2)c1C#N 410835985 PPOZTLGUMUCRPM-ZBFHGGJFSA-N 388.472 -0.132 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCC(=O)N(C)C1=O 425096999 XVJVGZQZGYXNOZ-MFKMUULPSA-N 378.410 -0.511 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCOC[C@@H](O)C3)n2)c(Cl)c1 453817890 BHPOADMXXXHTGP-LBPRGKRZSA-N 389.799 0.556 30 20 GBED CN(CCS(=O)(=O)c1ccc(C#N)cc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 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395.441 -0.307 30 20 GBED C=C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 675003725 JHKFISZZJQFKSP-LBPRGKRZSA-N 381.458 -0.208 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 728572849 NGLNJGGCANKWGL-UHFFFAOYSA-N 392.481 -0.604 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)n2nnc(-c3ccccc3)n2)CC1 742634343 NXFADLXQUWXMCZ-HNNXBMFYSA-N 381.440 -0.205 30 20 GBED CC(=NNc1nccn(C)c1=O)c1ccc(S(=O)(=O)NCC(=O)O)cc1 748078741 FDGXGYSZYGWVHC-UHFFFAOYSA-N 379.398 -0.021 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(N)(=O)=O)cc(C)c2C)CC1 751877131 BKTRNOAJDLPSBW-UHFFFAOYSA-N 392.481 -0.542 30 20 GBED N#Cc1cnn2c(O)cc(COC(=O)CN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)nc12 783903678 RXZRUPDBKZVZLF-YIKOMLBNSA-N 397.347 -0.488 30 20 GBED N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 793201282 KMVJFOMNDZJBSG-UHFFFAOYSA-N 392.349 -0.059 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2COCCN2CC(F)(F)F)CC1 806786635 QYDYPGJLVMEAIT-ZDUSSCGKSA-N 376.379 -0.857 30 20 GBED Cn1nc(Br)c2c(=O)n(CC(=O)N[C@H]3CNC[C@@H]3C#N)cnc21 834493215 BUFDMDGHLCEIQI-YUMQZZPRSA-N 380.206 -0.880 30 20 GBED COC(=O)NCCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 848942527 OSUQBUHGFZBFOG-UHFFFAOYSA-N 376.416 -0.877 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCOC1 848956823 SZPYLOZWJNBARN-CYBMUJFWSA-N 383.451 -0.099 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H](O)CC1 848959714 PGUSBGUBJITICL-AWEZNQCLSA-N 377.488 -0.658 30 20 GBED COCCCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1 853721337 COWNWOGVOWWCDU-GFCCVEGCSA-N 383.426 -0.079 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](NC=O)C(C)C)CC2)o1 860380546 JSEOFMABYCZDOV-HNNXBMFYSA-N 377.401 -0.183 30 20 GBED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCNC2)cc1 861543423 BLCXUDZMFQMZGC-IKGJXOFFSA-N 393.469 -0.084 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cncc(Cl)c2)CC1 872514920 DGGNBKYGCVNXMJ-UHFFFAOYSA-N 378.863 -0.491 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cnn(C)c1 982299645 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CN(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)cc1 1194866257 YORFVTDRXFAJHL-BSDSXHPESA-N 385.468 -0.343 30 20 GBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 1219821100 ATHMSNOQYBNAPK-CBZIJGRNSA-N 391.472 -0.649 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)CCO1 1321685085 KTWUKPIIKLTYAA-LLVKDONJSA-N 384.380 -0.154 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CCO1 1322486953 VOEHAPGXOLTWBM-LBPRGKRZSA-N 393.425 -0.444 30 20 GBED N#CCC1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 1322802723 PQAKDDBDFGTJGU-UHFFFAOYSA-N 388.515 -0.367 30 20 GBED C=CCN(C(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@H](C)COC 1329015387 OXDIFGVODMPJDU-LYYZXLFJSA-N 389.452 -0.041 30 20 GBED COc1cccc(CCNC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 1340423528 SVBVFVCNAZBZOP-MSUUIHNZSA-N 386.408 -0.004 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H](C)C[S@@](C)=O 1343056034 YMVCOOZGNYLQLY-AOOLBULQSA-N 378.458 -0.731 30 20 GBED COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H](CC#N)C2)cn1 1346870050 VSXFRMFZUZBYBD-CYBMUJFWSA-N 376.417 -0.264 30 20 GBED C#CCN1CCCC[C@H]1c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC 1356502893 WPYNJSWNOZEJBB-GJZGRUSLSA-N 385.472 -0.395 30 20 GBED N#Cc1cnc(NC[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCO2)cn1 1571152025 BHWIFGVJFNQXDN-NSHDSACASA-N 380.372 -0.190 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](NC(=O)CCOCc3cnn[nH]3)[C@H](C)C2)nn1 1575111284 BVLFVPXDUDHDSV-TZMCWYRMSA-N 388.432 -0.234 30 20 GBED C=CCn1cc(C(=O)NC[C@H](C)N(C)C(=O)[C@@H](C)OCc2cnn[nH]2)nn1 1575112745 XCJHPRYSOQBISI-NWDGAFQWSA-N 376.421 -0.236 30 20 GBED C[C@@H](OCc1cnn[nH]1)C(=O)N1CCC[C@H](CN(C)CC(=O)NCC#N)C1 1575829471 XWLJXDUEJACBNT-ZIAGYGMSSA-N 377.449 -0.480 30 20 GBED C#CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C1 1588352911 ADLQICNTZIULSS-MJBXVCDLSA-N 396.455 -0.273 30 20 GBED C=C[C@](C)(O)CC(=O)NC1(CO)CCN(c2cncc(-c3nn[nH]n3)n2)CC1 1588500770 CSHRTQSVXUJERI-INIZCTEOSA-N 388.432 -0.569 30 20 GBED CC(C)(C)C#CC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1589067526 AYFPCGJRIVPNKP-GOSISDBHSA-N 385.428 -0.063 30 20 GBED COC(=O)C1(C#N)CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 1604915270 DLDCDJFEOCEPRG-UHFFFAOYSA-N 377.386 -0.271 30 20 GBED CO[C@@]1(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCS(=O)(=O)C1 1618731567 NLBLGERPGLPVTL-YJBOKZPZSA-N 391.449 -0.021 30 20 GBED CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1747111946 NWCMAILCCPESTP-CABCVRRESA-N 387.437 -0.194 30 20 GBED COC[C@@]1(C(=O)O)CCN(S(=O)(=O)CCOC2(C#N)CCOCC2)C1 1777192511 YVYYCBYPVSFHLN-CQSZACIVSA-N 376.431 -0.171 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780030115 RVRJNDWSGCCWBA-GOSISDBHSA-N 387.348 -0.658 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781044054 UZCFKHKQOXJDSC-XMDUPGNXSA-N 381.473 -0.888 30 20 GBED CCOc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)nn1 1783565764 PVMFOAXYPSQTSM-SFHVURJKSA-N 388.380 -0.593 30 20 GBED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1784385106 FWYNLWTZVJODPB-LSTDLKDCSA-N 391.468 -0.970 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 1784714500 RJMBLSDLIAXWIZ-SHKKPHNISA-N 377.441 -0.289 30 20 GBED C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1793367890 PRHOHXQIVMIXBY-YIYPIFLZSA-N 383.470 -0.440 30 20 GBED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1793387714 NJTKAQVXQAIUQT-CZAMWMTLSA-N 395.481 -0.545 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1=O 1795450811 IWJGAEJRZVWLPY-AFIMGQEJSA-N 394.472 -0.001 30 20 GBED CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)ON=C(C)C)C(=O)O 1799393428 FTOGHEJEHUJPKP-USRAEIGSSA-N 398.460 -0.560 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc[nH]3)C2)C1 1831391217 KKGCDTSUKDCOID-KBXCAEBGSA-N 376.413 -0.482 30 20 GBED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1831413284 UQYNHXNPVHYRKA-IBGZPJMESA-N 397.472 -0.438 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1ccoc1)CCO2 1832653205 WFFHCXDPZBRWSQ-VQSDEBNRSA-N 388.376 -0.163 30 20 GBED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ncccn3)CC2)CC1 1834234454 KKFIDRLPOLERGU-UHFFFAOYSA-N 385.424 -0.250 30 20 GBED CS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1834569270 NHZGKRCOCWALTJ-UHFFFAOYSA-N 396.513 -0.094 30 20 GBED C[C@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839165452 LPQQLDPCTMCKSK-KBXCAEBGSA-N 378.429 -0.729 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1840160276 CWERQFRUDLLPJY-QFYYESIMSA-N 398.441 -0.724 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC(N)=O)C2)C1 1840167859 RLOXKYWYCBVDQV-KXBFYZLASA-N 394.472 -0.307 30 20 GBED CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1)C(=O)O 1844282439 QIUBGMGLQGLEAI-HNNXBMFYSA-N 391.468 -0.049 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(/C(O)=N/Cc3cncn3C)CC2)cn1C 329613001 ORPMVDXWVRQJJF-UHFFFAOYSA-N 381.462 -0.117 30 20 GBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@@H]1C(=O)OCC 330832971 KKMWMSNSZJRGOZ-CHWSQXEVSA-N 380.488 -0.066 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)CC1 349457123 DIUVQWQGUKPSJR-XJFOESAGSA-N 387.483 -0.433 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](CO)C1 349519046 HLERZQDWKOAYLR-QWHCGFSZSA-N 397.544 -0.709 30 20 GBED N#CC1(CNS(=O)(=O)CCCS(=O)(=O)Nc2ccc(O)nn2)CC1 349579868 UHRPGDVSYGEAOI-UHFFFAOYSA-N 375.432 -0.463 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCN(c2ncccc2C(N)=O)CC1 409592764 FPUAKCUKUJGXRH-UHFFFAOYSA-N 396.473 -0.591 30 20 GBED C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@@H](CO)O1 470929819 GALFSEWXRIHKEB-DOMZBBRYSA-N 384.396 -0.255 30 20 GBED COCCn1cc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cn1 472196432 MKGPQPSYYZUIIA-UHFFFAOYSA-N 393.473 -0.046 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nc(N(C)C)no1 505894722 FSCMEQPGVZEXSE-JTQLQIEISA-N 378.414 -0.010 30 20 GBED NC(=O)c1cc(S(=O)(=O)NCC(=O)NCC#Cc2cccc(F)c2)c[nH]1 513931122 DMWJZOKFQOBZBU-UHFFFAOYSA-N 378.385 -0.301 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCCCNC1=O 564102965 WKZBJIPONMRMDC-NSHDSACASA-N 386.455 -0.565 30 20 GBED CNC(=O)[C@]1(C)CCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)C1 573266516 CQGUZTLSQNAZLG-CQSZACIVSA-N 394.519 -0.614 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 573268103 ZYENZMHIDIYXDD-CABCVRRESA-N 385.424 -0.689 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)n3)CC2)CC1 589300203 CBSZLWNXCSHSLT-UHFFFAOYSA-N 378.458 -0.797 30 20 GBED CC#CC[C@@H](CO)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 591964745 UQZJVGGWIIEHHP-LBPRGKRZSA-N 384.414 -0.053 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 592318210 AYZHCYNBDSYLFN-CYBMUJFWSA-N 385.380 -0.117 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCn2cncn2)cc1 594627278 ZSCXWCXLRWABSJ-GFCCVEGCSA-N 398.470 -0.211 30 20 GBED C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ccc(C#N)cn1)C(C)(C)O 594637515 DDGNQAZMBUQOPQ-NSHDSACASA-N 390.487 0.164 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(n3cnnc3O)CC2)c1 598698451 VAQGVCZRQLZMLC-UHFFFAOYSA-N 390.425 -0.003 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2nc(CN3CCCCC3)no2)C1=O 670401205 XTIWBULNYARQNJ-UHFFFAOYSA-N 390.400 -0.352 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)CC1 736076357 MXRLEYSYLCSXHO-GOSISDBHSA-N 398.463 -0.609 30 20 GBED CC(C)NS(=O)(=O)c1ccc(NN=Cc2c(N)n(C)c(=O)n(C)c2=O)nc1 749814351 AOTNWBFAAVVMPR-UHFFFAOYSA-N 395.445 -0.806 30 20 GBED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccn2)c1=O 758054312 KRZJHIJMZBLVRK-ZDUSSCGKSA-N 382.445 -0.408 30 20 GBED C=CCNC(=O)CNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 801183473 NCUGGCQCBLNBCI-UHFFFAOYSA-N 385.417 -0.121 30 20 GBED CC(=NNC(=S)NCCN1CCOCC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 811630447 JDJAGVAVGZXSCS-UHFFFAOYSA-N 390.469 -0.263 30 20 GBED C#CC[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 816671297 SREHUIDLGJDCHP-INIZCTEOSA-N 393.465 -0.347 30 20 GBED CN1C(=O)CC[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 819727089 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C#CC[C@@H](CCOC)NC(=O)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 875407763 NKMSXWKTYQENHK-KRWDZBQOSA-N 394.516 -0.556 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 893293200 FLPGDVVQPZIHTN-FFNLUWKOSA-N 375.381 -0.263 30 20 GBED N#Cc1cccc(S(=O)(=O)NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1 916809528 CHEBBHBDYFGNRO-UHFFFAOYSA-N 392.418 -0.139 30 20 GBED Cc1nc(N2CCN(CC#CCN3CCN(c4n[nH]c(C)n4)CC3)CC2)n[nH]1 931628041 KCLFGSSOVYHZDJ-UHFFFAOYSA-N 384.492 -0.513 30 20 GBED C#CCOc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ncnn1 998940457 QYZHKTSRJJDCDA-SNPRPXQTSA-N 381.396 -0.358 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccnc(OC)c2)C1 1025689534 DWWJCDTTYPBDAF-FPCVCCKLSA-N 375.425 -0.088 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COC1CCN(C)CC1 1111196997 DBMGRSBHCKMCHR-IDCNUPLLSA-N 376.501 -0.043 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1CCOC 1116373874 PHOSUDQTIJGPJV-UHFFFAOYSA-N 391.424 -0.047 30 20 GBED CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCCN(c3ccccc3C#N)CC2)C1 1117318736 ZRSPNMVYNDKYEZ-GOSISDBHSA-N 398.511 -0.041 30 20 GBED Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC(=O)N(C)C)nn1CCC#N 1118445538 IGORBTYIVVWZMR-UHFFFAOYSA-N 377.449 -0.478 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCN4CCOC[C@@H]4C3)CC2)cn1 1119081297 FWIHSIXQPGUIHV-KRWDZBQOSA-N 384.440 -0.855 30 20 GBED C=CCn1c(CN2CCC(O)CC2)nnc1N1CCN(CCOC)C(=O)C1 1121530937 SIFVSBYEIJVBHT-UHFFFAOYSA-N 378.477 -0.284 30 20 GBED COCC#CCN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1131562538 XXBKEALVLTYQAK-XDNAFOTISA-N 393.484 -0.345 30 20 GBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 1208580595 UKEDAWDLYRGZQN-LVQVYYBASA-N 391.472 -0.767 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCCC[C@H](S(C)(=O)=O)C1 1261180686 ISSHWKAXASIUHZ-LBPRGKRZSA-N 380.488 -0.871 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c(F)c1 1262493027 VKWVOEFTKAMEQN-ZDUSSCGKSA-N 394.428 -0.351 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1ccnc(-n2cccn2)c1 1321480736 RDAJECZNYZLBOB-UHFFFAOYSA-N 377.426 -0.400 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2C[C@H](OCC)[C@@]23CCCO3)CC1 1323741417 SRVGPNQGSLIIEW-GQIGUUNPSA-N 391.468 -0.183 30 20 GBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1325729236 UXMAGTCRQYHPMT-RDJZCZTQSA-N 383.452 -0.088 30 20 GBED CCNS(=O)(=O)CCNC(=O)C(=O)N(CCOC)Cc1ccc(C#N)cc1 1328699220 LIAGBCLACUBJBB-UHFFFAOYSA-N 396.469 -0.411 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 1329481679 BDDRBOCSUQNQIP-LBPRGKRZSA-N 389.378 -0.429 30 20 GBED C[C@H](O)C[C@H]1CCCCN1C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1346276594 LJBGVRNYACQTGR-PUSDIMDNSA-N 378.429 -0.219 30 20 GBED Cn1cccc1C(=O)N1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 1350574131 UBTFKOGHUWRIID-UHFFFAOYSA-N 386.456 -0.586 30 20 GBED N#Cc1cnc(N2CCOC[C@@H]2CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cn1 1571152074 CPPKGCWRYMBCQJ-NSHDSACASA-N 380.372 -0.508 30 20 GBED N#Cc1cc(C(=O)N2CC(n3cc(-c4nn[nH]n4)c(O)nc3=O)C2)ccc1F 1571194614 OYFPRTSIDSGCQN-UHFFFAOYSA-N 382.315 -0.163 30 20 GBED C[C@@H](C#N)C(=O)N(CCO)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1573561738 MPINCWQWRPFUTC-NSHDSACASA-N 386.416 -0.220 30 20 GBED C=C[C@](C)(O)CC(=O)N(Cc1cnn[nH]1)C1CCN(C[C@H](O)COC)CC1 1575074427 WGZGSKPGRIAVLQ-WMZOPIPTSA-N 381.477 -0.068 30 20 GBED CN(C[C@H](O)CN(C)c1nccnc1-c1nn[nH]n1)C(=O)c1ccc(C#N)[nH]1 1579031156 KVKSINDFPPVRSF-LLVKDONJSA-N 382.388 -0.574 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@H]3[C@H](NC(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@H]3C2)c1 1581862279 VYOOJHNJNRSLGD-YABSGUDNSA-N 377.368 -0.105 30 20 GBED N#Cc1ncc(N2CCOC3(CCS(=O)(=O)CC3)C2)nc1-c1nn[nH]n1 1581882602 DLLMCYOGCPTNIX-UHFFFAOYSA-N 376.402 -0.688 30 20 GBED C#CCN1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)C3)[C@@H]2C1 1588353077 FUKGPUUQJRMLLR-GLQYFDAESA-N 396.411 -0.453 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2snc(C)c2-c2nn[nH]n2)C1 1602724062 AEXDJJFYSZYGNY-BZNIZROVSA-N 391.457 -0.273 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc(O)cc3)C2)CCO1 1608180173 VJYILGSRJPSZAC-SOUVJXGZSA-N 381.410 -0.039 30 20 GBED COC(=O)c1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n(C)n1 1617671090 VSUZIWYBBLSRDF-UHFFFAOYSA-N 377.382 -0.116 30 20 GBED N#CC1(CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CCOCC1 1640487339 RCJWMHNJSHFHPF-LBPRGKRZSA-N 382.442 -0.412 30 20 GBED COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1643934415 LCZYPFBOCIUBCJ-ZKYQVNSYSA-N 381.410 -0.640 30 20 GBED Cn1nncc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1767534573 RVPOAZFWTNCKQQ-ABAIWWIYSA-N 394.436 -0.201 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 1792577120 ACVSWBFLZNEBQT-LBKYZSNHSA-N 379.457 -0.307 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nc[nH]c2c1 1797410437 CTJMDHKIKNXAMB-IVWMJMPLSA-N 382.376 -0.146 30 20 GBED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807056802 WJJJMBSHSPPPKS-ZGMNHVEMSA-N 393.513 -0.002 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)COCCO)[C@@H]1c1cccnc1 1808628981 YKRNSPFVLGSDOD-KDOFPFPSSA-N 375.381 -0.816 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815676011 TXUCQLOHJBKNIA-GHMZBOCLSA-N 389.441 -0.220 30 20 GBED C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2)n1ccnn1 1824693648 WJWZOXWTOPTFAW-NXEZZACHSA-N 388.409 -0.004 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1834760111 HBMAFJDOQVNNBU-OAHLLOKOSA-N 378.345 -0.698 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1836476556 CSZAJXULJNEDBH-DAYGRLMNSA-N 383.514 -0.075 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2 1837530781 QNZOSFHYBAKUDA-FCGSJESLSA-N 379.413 -0.395 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncon3)C2)C1 1839226643 CMYYANZEJWQXRU-DYVFJYSZSA-N 395.416 -0.060 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](O)NC(=O)OCC)C2 1841054896 PPRBARRDGALFFM-IDTUSYRASA-N 394.428 -0.887 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)c1nccnc1C(N)=O)C2 1844237758 LHUCAIYXSKXCJS-LBPRGKRZSA-N 387.440 -0.034 30 20 GBED CN(C)C(=O)C/N=C(/NCC(=O)N(C)C)N1CCN(c2ccccn2)CC1 262256112 CTXGHFWNWOGNIW-UHFFFAOYSA-N 375.477 -0.674 30 20 GBED C[C@H](C(=O)N1CCCC1)N1CCN(/C(=N/C2CC2)NCC(=O)N(C)C)CC1 262320533 RVSOKXULAHIDJH-OAHLLOKOSA-N 378.521 -0.189 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cn(CC(=O)C(C)(C)C)nn2)CC1 266099064 GZXAAUQNIMUEIJ-UHFFFAOYSA-N 388.472 -0.209 30 20 GBED COCCNC(=O)CN1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 270174519 KTEOJSUKPUOTBM-UHFFFAOYSA-N 399.451 -0.646 30 20 GBED C=CCS(=O)(=O)CCNS(=O)(=O)c1cccc(C(=O)NCCOC)c1 286373333 JZLRRERJVPAIBC-UHFFFAOYSA-N 390.483 -0.058 30 20 GBED N#CCC1(O)CN(S(=O)(=O)CCCS(=O)(=O)N=c2cc[nH]cc2F)C1 349463912 VTUIWANCLZUQON-UHFFFAOYSA-N 392.434 -0.935 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 349479844 VJUXRMPRVAQTLQ-VQJWOFKYSA-N 391.515 -0.417 30 20 GBED C[C@@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 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387.440 -0.136 30 20 GBED COC(=O)C1(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)CC#N)cc2)CC1 576717329 HJSQVUBHJOZAEW-UHFFFAOYSA-N 387.439 -0.185 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 590981577 PXRORVRURQXJDN-KBPBESRZSA-N 387.444 -0.476 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)C2CC2)CC1 599390513 JCMNEQCURXXWPX-UHFFFAOYSA-N 380.492 -0.797 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccccc2OCC)CC1 728608746 SJBVGBFIMNGOEZ-UHFFFAOYSA-N 386.452 -0.291 30 20 GBED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccn(C)c2)c1=O 763466546 RIFMOZFPPMCGGR-UHFFFAOYSA-N 398.513 -0.040 30 20 GBED N#Cc1ccc(F)c(CS(=O)(=O)NCCS(=O)(=O)N2CCOCC2)c1 766792371 ITPYXIUDXKWZDI-UHFFFAOYSA-N 391.446 -0.221 30 20 GBED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(Cc2nnn(C)n2)C1=O 783039184 HYBZRPBUHIYDMJ-SNVBAGLBSA-N 390.429 -0.119 30 20 GBED C=CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccncc1 805808206 CLLLIKXYIIFXCA-OAHLLOKOSA-N 398.427 -0.828 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1)[C@H]1CCCO1 809306433 QOMWWTUXSNKSLW-XLAORIBOSA-N 376.501 -0.232 30 20 GBED C=CCS(=O)(=O)CCNC(=O)NCCNc1ncccc1-c1nn[nH]n1 823932081 NJPCVYJDQCFWLR-UHFFFAOYSA-N 380.434 -0.426 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1=O 836010381 LKEXMKXSPTWNNS-CQSZACIVSA-N 396.469 -0.847 30 20 GBED O=C1[C@H](NC(=O)[C@H]2CC[C@H](C(=O)N[C@@H]3CCCN(O)C3=O)CC2)CCCN1O 848136578 YMSYGPHCHBIRCC-AAVRWANBSA-N 396.444 -0.214 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@]23CCOC3=O)cc1 848941918 NXHOULIDBBYTMJ-OAHLLOKOSA-N 399.450 -0.041 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@]12CCOC2=O 848958049 SHHCCKXZXWRAGW-OCCSQVGLSA-N 393.487 -0.339 30 20 GBED C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1nc(N(C)C)n[nH]1 848960521 DCJDTVWJMPKJBZ-JTQLQIEISA-N 378.480 -0.714 30 20 GBED C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 855493413 BUJVKVGISYSYKY-UHFFFAOYSA-N 399.425 -0.540 30 20 GBED C=C(CNC(=O)/C=C\CN1CCOCC1)CNC(=O)/C=C/CN1CCOCC1 869305377 IOSSOVWPXCIFJB-VOERYJCWSA-N 392.500 -0.448 30 20 GBED N#CCSCC(=O)OCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 915388036 KASVJYMNRXFBSW-QWHCGFSZSA-N 390.483 -0.019 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccc(=O)n(CC)n2)[C@H](OC)C1 944985685 KMDXPIUUVCVGHT-DMRZNYOFSA-N 390.440 -0.190 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc3c(cnn3C)c2)C[C@@H]1O 970702636 UQIVLWJYPAMXNA-WCVJEAGWSA-N 385.424 -0.139 30 20 GBED CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N 1092922467 VBSBMYSEVRWDOB-NMKXLXIOSA-N 378.458 -0.098 30 20 GBED CN(C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 1321936040 YRCVSMDMSZHUBY-INIZCTEOSA-N 387.440 -0.655 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCn2c(=O)oc3ccccc32)C1=O 1322554154 FZWZQRJCYIKRCU-AWEZNQCLSA-N 386.408 -0.044 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)CC1 1324435415 YAPMHFYQSWBRBH-QGZVFWFLSA-N 398.467 -0.207 30 20 GBED C=CCN1CCC(NC(=O)C(=O)NC2CCN(C(=O)CCOC)CC2)CC1 1325390319 QUVLOSINGAKYSS-UHFFFAOYSA-N 380.489 -0.103 30 20 GBED Cc1noc([C@H](C)NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n1 1328029552 OZISZSFNUPYCPI-NSHDSACASA-N 386.416 -0.182 30 20 GBED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)CN(C)C)cc1 1332596400 QHDACRGIVIHLSD-PXAZEXFGSA-N 396.469 -0.260 30 20 GBED C=CCn1c([C@H]2CC(=O)N(C)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1339610226 UUHNELSAGDJMGO-ZDUSSCGKSA-N 382.490 -0.119 30 20 GBED Cc1cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)n2nc(C)cc2n1 1343333503 BWPAYYWIVRFVOQ-LBPRGKRZSA-N 375.410 -0.074 30 20 GBED Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCS(C)(=O)=O)cn1 1503653334 RJWCHNFGIBQNTD-CYBMUJFWSA-N 379.446 -0.158 30 20 GBED CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1 1548318913 OPTZHWSUHVACDP-LBPRGKRZSA-N 377.430 -0.101 30 20 GBED CCN(CC(=O)NC(C)C)C(=O)Cn1c(=O)c(C#N)c(C)n(C2CC2)c1=O 1559453186 RSFSHMUBBYFZJZ-UHFFFAOYSA-N 375.429 -0.102 30 20 GBED C=C(C)CN1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1573293754 INAITZLYUSOZMP-UONOGXRCSA-N 391.457 -0.306 30 20 GBED C[C@@H](C#N)C(=O)N1CCN(CCCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1573570248 MLAVRCDMGZWAJV-LBPRGKRZSA-N 385.432 -0.381 30 20 GBED C=CCNC(=O)NC(=O)CNCCCNC(=O)c1cncc(-c2cnn[nH]2)c1 1575107801 BCECPVKSUVWTBS-UHFFFAOYSA-N 386.416 -0.412 30 20 GBED CCN(CCC#N)C(=O)CN1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1577909275 KNWOGOKEORGOBT-ZDUSSCGKSA-N 385.432 -0.239 30 20 GBED C#CC[C@@H](COC)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C(=O)OC 1588334504 YVGNALOPUSNMDC-NSHDSACASA-N 379.398 -0.030 30 20 GBED C#CCN1CCC(C(=O)N[C@H](C)CN(C)c2cnc(-c3nn[nH]n3)cn2)CC1 1588351837 MPUPAERXLIPGMN-CYBMUJFWSA-N 383.460 -0.057 30 20 GBED C#CCNC(=O)CN1CCCCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588354623 SEQLELWQOGGIJX-AWEZNQCLSA-N 384.444 -0.081 30 20 GBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1cc(C)ncc1-c1nn[nH]n1 1588358117 QAUXNRNQOTULBS-KBPBESRZSA-N 387.444 -0.136 30 20 GBED C#CCOCCC(=O)N1CCO[C@@H]([C@H](C)N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1588359410 NQDGLLYABZERNS-QWHCGFSZSA-N 386.416 -0.854 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588405127 LROXFDWHNWCBBS-ZDUSSCGKSA-N 388.432 -0.146 30 20 GBED CC#CCN(C)C(=O)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 1588746310 PVKYEANMQKKVEQ-UHFFFAOYSA-N 398.427 -0.138 30 20 GBED N#CC1(C(=O)O)CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1601051217 GVERNMGVONOHOJ-UHFFFAOYSA-N 376.394 -0.058 30 20 GBED C=CCCOCC(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[nH]n2)C[C@H]1O 1602844882 UBECXFRAFHFVDO-GHMZBOCLSA-N 379.446 -0.110 30 20 GBED C[C@@H](CC(=O)NC1CC(CO)(CO)C1)/N=C1/NS(=O)(=O)c2ccccc21 1648024424 IQWLRAFKFMQSJB-NSHDSACASA-N 381.454 -0.247 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(O)CCOC1 1723930184 WMRINVUDYZJQHH-WBMJQRKESA-N 398.489 -0.220 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1778973425 KLTOHVGCESLOGP-DNVCBOLYSA-N 381.473 -0.084 30 20 GBED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1784198621 SGMFGNWASBFCMD-QUCCMNQESA-N 393.484 -0.340 30 20 GBED CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1)C(=O)O 1792138894 BZTFPEWEAKXIPZ-XQLPTFJDSA-N 392.456 -0.277 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cncn1)C2 1793346465 BARGHXUKIJHROG-DGXTUMSLSA-N 375.429 -0.533 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n[nH]1)C2 1797708392 VJLZYCLVJJFBCO-WJNVRWDZSA-N 378.429 -0.108 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(=O)cn1 1799350225 WVSJHAAMXFLNBN-GJLBMKCESA-N 385.424 -0.120 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1835352382 WXMWBYVLOBZVEA-KRWDZBQOSA-N 380.401 -0.801 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCNC)CCO2)C1 1835658685 RHSPBKSEBYHVQY-APWZRJJASA-N 381.473 -0.519 30 20 GBED C[C@H](CN)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674065 DSKORNVSMUELTD-DNVCBOLYSA-N 395.504 -0.681 30 20 GBED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)o1 1836021755 JLPYYDFKKOGNEK-IBGZPJMESA-N 388.424 -0.210 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cncn4)CCO3)C2)CCC1 1836141195 BPPWPHWSQVCCGD-GOSISDBHSA-N 388.428 -0.572 30 20 GBED CN(C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838735217 ZVIYLAFYHIKBIO-GOSISDBHSA-N 375.429 -0.482 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839174843 ZXTBUEVTLBVMKL-SFHVURJKSA-N 379.413 -0.134 30 20 GBED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CC1 1839895723 QCXMAVRJYLMWAT-LJQANCHMSA-N 390.436 -0.191 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCNC(=O)C3)CCO2)C1 1840227069 DWDLCMGXVBLMND-LIRRHRJNSA-N 392.456 -0.481 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840466690 RSZCMZBGTDAWPP-SUMWQHHRSA-N 382.486 -0.263 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2 1845251630 FNAQDJVBHCFNIY-LBPRGKRZSA-N 379.417 -0.458 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCC#N)CCN2CCOCC2)C1=O 264140344 FIUNRQQEIVALHM-UHFFFAOYSA-N 377.401 -0.962 30 20 GBED COCCn1cc(/C=c2/s/c(=C(/C#N)C(=O)N3CCCC3)n(C)c2=O)cn1 266462638 HBURVSGRBCMRHQ-IATADAHLSA-N 387.465 -0.585 30 20 GBED CCOC(=O)CN(CC(N)=O)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 268802138 BJKOFAHIGKAZPN-LLVKDONJSA-N 396.425 -0.898 30 20 GBED C[C@@H](CN1CCN(C)CC1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 268812642 BHCOLUYIESKLNQ-LSDHHAIUSA-N 393.513 -0.023 30 20 GBED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN3CCO[C@H](C#N)C3)C2=O)cc1 269399188 CGAFULXTYOOTHB-RDTXWAMCSA-N 387.396 -0.282 30 20 GBED CNS(=O)(=O)C1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 270131872 BMVUISOKRRRPFI-UHFFFAOYSA-N 376.438 -0.012 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)[C@@H](C)OCC#C)C[C@@H]1C(=O)N(C)C 294978480 OJIHDSVSWYYCHY-OWCLPIDISA-N 377.441 -0.809 30 20 GBED C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 297603423 ADMIWJVTCRUZAD-GOEBONIOSA-N 387.440 -0.400 30 20 GBED C[C@H](C(=O)N1CC[C@H](N/C(O)=N/C2CC2)C1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 329537892 VDDLJLHMVYAUFX-UPYOYHQRSA-N 390.440 -0.196 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 330073465 KMBJCCVZORKLEL-RCBQFDQVSA-N 378.454 -0.234 30 20 GBED CS(=O)(=O)C[C@H]1CCN(/C(O)=N/CCS(=O)(=O)N2CCSCC2)C1 330163355 ATFFDKSDGOZBLN-LBPRGKRZSA-N 399.560 -0.355 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 372848728 JAWKOTLWXGQKFE-KBPBESRZSA-N 390.506 -0.241 30 20 GBED N#Cc1ncn(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 495003174 HAQKHQUXELWQTH-CQSZACIVSA-N 397.443 -0.438 30 20 GBED C=CCNC(=O)CN1CCN(Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)CC1 506273827 ROVIFMGOEILVCT-GOSISDBHSA-N 395.529 -0.163 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O 511344064 ONFCSXVNKNHXMW-ZIAGYGMSSA-N 396.535 -0.209 30 20 GBED COc1cccc(C(=O)N2CCN(C(=O)NCC(=O)NCC#N)CC2)c1OC 511917724 XBYBAOGSVSRAHU-UHFFFAOYSA-N 389.412 -0.189 30 20 GBED C[C@H](N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)NC1(C#N)CCCCC1 533383541 PDGMULYFEGPSPX-XHSDSOJGSA-N 398.529 -0.195 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 539688484 JRBYIKVKLADGFW-UHFFFAOYSA-N 380.426 -0.516 30 20 GBED CC(=O)N1CCN(CCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 564410364 MLJFEUIOWUIKHF-UHFFFAOYSA-N 393.469 -0.883 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 582880826 DGTSHQUFCARBMU-LSDHHAIUSA-N 390.444 -0.339 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C)C[C@@H]3COCCO3)CC2)c1C#N 595168943 JRARHUSWRLDVLR-CQSZACIVSA-N 390.444 -0.877 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)C[C@@H](CO)O1 595186254 KSFUAQYHXAWBJF-OLZOCXBDSA-N 378.454 -0.123 30 20 GBED C=C(CNC(=O)c1cc(C)[nH]c(=NC)n1)CNC(=O)c1cc(C)[nH]c(=NC)n1 620749841 PGRJBJZCVIEXPH-UHFFFAOYSA-N 384.444 -0.473 30 20 GBED N#Cc1cccc(S(=O)(=O)NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 744014128 NFRHNLINZNXQBQ-GBOPCIDUSA-N 389.389 -0.474 30 20 GBED NC(=O)C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 752705599 ISISOJXJZJZUOD-CYBMUJFWSA-N 394.453 -0.488 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 767497028 WZFUDOPHUDSANZ-QWRGUYRKSA-N 376.431 -0.088 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 778913903 FNCVBEJRDWTVPV-JTQLQIEISA-N 386.430 -0.168 30 20 GBED C=CCN1CC[C@@H](OC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1=O 798562443 LBKVMARQXFVPIO-DGCLKSJQSA-N 383.426 -0.518 30 20 GBED COCCN1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 801589820 BQCGEDFXYAAWBJ-UHFFFAOYSA-N 380.426 -0.610 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCCN(CC(=O)N(CC)CC)CC1)[C@@H]1CCCO1 809311659 IOPGSAYTHXPILS-SJORKVTESA-N 392.500 -0.314 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2cc(-c3nn[nH]n3)cs2)c(=O)n1C1CC1 821630314 TYXKXFMVBHOKCD-UHFFFAOYSA-N 399.461 -0.265 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N(CC#N)CC(=O)O)cc1 829885086 CHPAVOVOQFYPNQ-UHFFFAOYSA-N 383.382 -0.422 30 20 GBED COC(=O)Cn1cc(C=NNc2ccc(S(=O)(=O)NC(C)C)cn2)nn1 834939969 YPCOFVFHFBOHAW-UHFFFAOYSA-N 381.418 -0.021 30 20 GBED N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 919815777 BTGGSTDOPHOPGC-HNNXBMFYSA-N 397.478 -0.167 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc3ncc(C)cn3n2)C1 1024298289 ULVVKNZIFYUBAY-SYQHCUMBSA-N 386.412 -0.675 30 20 GBED CN1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(C#N)n2)S1(=O)=O 1055462044 QDTAVWLNHFPHSK-NDBYEHHHSA-N 376.442 -0.392 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CCn2ncn(C)c2=O)n1 1093030963 CZIDCSCLMGIKGO-KFWWJZLASA-N 382.428 -0.132 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)Nc1nccs1 1109167762 IDSWRRWHKBMFMI-AGIUHOORSA-N 375.454 -0.057 30 20 GBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1C(F)(F)F 1112167391 NNLMNMWYTMNUOH-YVECIDJPSA-N 390.406 -0.008 30 20 GBED C=CCSCCNC(=O)C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1117146321 DHHGQRTYZNJMCL-DOMZBBRYSA-N 376.500 -0.126 30 20 GBED C=CC[C@H](NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C)c1ccncc1 1117311176 ICDVBMDZKKTQQZ-AWEZNQCLSA-N 383.474 -0.236 30 20 GBED CC(C)N1C[C@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1=O 1322188044 YSTDHVLWESXAKQ-OAHLLOKOSA-N 384.440 -0.273 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NC[C@@H]1CSCCS1 1322761706 YNHPDSZAHNKYOL-JBEXSADBSA-N 384.483 -0.406 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)C1 1326863703 PQKKLGCRQCLHIC-KRWDZBQOSA-N 394.453 -0.901 30 20 GBED CN(C)S(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1517025479 QEUFDGHVBKDVBL-CHWSQXEVSA-N 384.462 -0.598 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(C)(C)O 1541946098 PTNMHLIUEMSAGA-RYUDHWBXSA-N 386.478 -0.222 30 20 GBED C#CCOCCC(=O)N1CCO[C@@H]([C@H](C)Nc2nccnc2-c2nn[nH]n2)C1 1573288600 WHLHEBSIUWLKTE-QWHCGFSZSA-N 386.416 -0.276 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc(C2CC2)n1CCC[C@@H]1NC(=O)NC1=O 1574953969 FRPZCVUFWBKJHU-ZDUSSCGKSA-N 383.416 -0.098 30 20 GBED C=CCCO[C@@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC(=O)NCc1cnn[nH]1 1575100086 LJFFZXLLLRZVHB-QEJZJMRPSA-N 390.444 -0.396 30 20 GBED CCN(CCC#N)C(=O)CNC1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1577909506 VHEPFVGGBSXKSL-UHFFFAOYSA-N 385.432 -0.191 30 20 GBED N#CCCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 1581858260 XDENLAYZUGPIIV-UHFFFAOYSA-N 392.401 -0.005 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(c3ccncc3-c3nn[nH]n3)C[C@@H]2O)c1 1581862483 DIFAFQOJVUKANJ-DOMZBBRYSA-N 379.384 -0.169 30 20 GBED C#C[C@@H](C)N(C)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1C[C@H]1CCOC1 1588326689 RXOUCUBOJDICOT-VXGBXAGGSA-N 383.420 -0.408 30 20 GBED C#CCOCCC(=O)N1CCCO[C@@H](CNc2nccnc2-c2nn[nH]n2)C1 1588359622 UIRSJTNBZMTMOM-ZDUSSCGKSA-N 386.416 -0.274 30 20 GBED C[C@@H](Nc1cnc(-c2nn[nH]n2)cn1)[C@@H]1CN(C(=O)CSCC#N)CCO1 1589987326 IUDQHSRCSGVFDB-PWSUYJOCSA-N 389.445 -0.059 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CN(c2ccc(-c3nn[nH]n3)nn2)CCO1 1602885301 ADNJCYGSXWADHL-SCRDCRAPSA-N 386.416 -0.431 30 20 GBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1CC#N 1661379923 JLJZQTILNUVHRL-CYBMUJFWSA-N 385.467 -0.324 30 20 GBED N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CCC(=O)N2CCOCC2)CCO1 1712884807 SJXDLXYNJNNJFH-AWEZNQCLSA-N 398.427 -0.287 30 20 GBED C[C@H]1CCc2c(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)n[nH]c21 1777855766 YZPUDIPKQQLMDC-BUXKBTBVSA-N 386.408 -0.009 30 20 GBED O=C1C[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)CN1 1779137716 CZTLNZWLVKOXQG-ARBSKPPNSA-N 388.424 -0.336 30 20 GBED NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779422153 UPRJPRQZAJUHTR-BHCMPXBDSA-N 382.461 -0.012 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1782841500 FSBFBFOLEGWFNY-JXFKEZNVSA-N 383.404 -0.059 30 20 GBED CN(C)C(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1783674504 VRSNCDLDSNRGTM-JYJNAYRXSA-N 376.457 -0.349 30 20 GBED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)CNC(N)=O)C3)C2)cc1 1785623655 GFIHOQCGAXYEDB-HXUWFJFHSA-N 399.451 -0.011 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nccn3)[C@H]2C1 1789968294 COTXLFQBPYIUCS-VGWMRTNUSA-N 375.429 -0.704 30 20 GBED CCc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)no1 1791077216 QDCYEMSUGQSXFU-WHOFXGATSA-N 375.381 -0.082 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1796184597 OVTNCXQZPILPSD-FQUUOJAGSA-N 398.423 -0.292 30 20 GBED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NNC(=O)C2)cc1 1797684431 GFFUMXKGTRBFRM-XOIINTDNSA-N 381.392 -0.363 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2 1799389757 RKWISZBSUGSTJY-PEBLQZBPSA-N 382.417 -0.515 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)OCO3)C2 1800778228 IDPCRNBFWQNVKV-IVWMJMPLSA-N 386.360 -0.294 30 20 GBED C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1801405064 ALGCZSJVXDMDTE-ZUMXRPEOSA-N 387.392 -0.474 30 20 GBED N=C(N)SCC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812876683 UELCAWHFGMSRAX-LRDDRELGSA-N 389.437 -0.198 30 20 GBED CN(CC(=O)N[C@@H]1CCc2nc(NC(=O)CCC#N)sc2C1)C(=O)C(=O)O 1814502307 FYEOSVNUPKIHHP-SECBINFHSA-N 393.425 -0.098 30 20 GBED C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1)n1cnnn1 1825675074 UCQQHJXHWRBYBE-IUCAKERBSA-N 389.397 -0.609 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1831433613 KJZHQBAKHXIMPC-QMTMVMCOSA-N 397.472 -0.442 30 20 GBED COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1835240219 WKVPAEGKIOHFNF-IBGZPJMESA-N 380.441 -0.481 30 20 GBED Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)n[nH]1 1836147800 GGGBIKAFWVTHSP-UHFFFAOYSA-N 387.440 -0.009 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2 1838071027 HIBPWIXPKOLZSE-SFHVURJKSA-N 376.413 -0.011 30 20 GBED CN1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1838742055 OPYCLJCBXNNLMT-IBGZPJMESA-N 387.440 -0.482 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(F)(F)C(F)(F)C(=O)O 1848013750 YTOIUDVTZOHJCH-YUMQZZPRSA-N 380.250 -0.369 30 20 GBED C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 8370416 YXIPSZZMJAZAOS-UHFFFAOYSA-N 384.385 -0.247 30 20 GBED CCN(CC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 276461824 WTHYCEDJSBIHHA-UHFFFAOYSA-N 393.469 -0.802 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC(=O)N(CCOC)C1 283137818 XQJSZTPTMUQSEY-UHFFFAOYSA-N 390.396 -0.203 30 20 GBED C[C@H]1[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)CCN1C 349458222 GEBIBHYQQAIBAD-QWHCGFSZSA-N 378.520 -0.294 30 20 GBED CN(CC(F)F)S(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 349515730 IEJKTXMQCMQFDH-UHFFFAOYSA-N 385.418 -0.050 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCn2ccnc2C1 349551634 JDXITAZZBXSFTO-CHWSQXEVSA-N 389.503 -0.319 30 20 GBED Cc1cc(NC(=O)C(=O)NCCn2cnc(C#N)n2)nn1-c1cccc(F)c1 377301348 ZXVSOBMYUHKDDV-UHFFFAOYSA-N 382.359 0.538 30 20 GBED CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1=O 377895151 ARRFGEDTKRZWQS-LBPRGKRZSA-N 395.379 -0.270 30 20 GBED N#Cc1cccc(CCNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)c1 419715639 ZJEGMAALHIJCMQ-KRWDZBQOSA-N 383.452 -0.360 30 20 GBED COC(=O)CN(CC#N)C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 474134725 JKNZEZIIQBHELM-UHFFFAOYSA-N 396.425 -0.808 30 20 GBED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 484221729 MBOQELONABDLRY-LBPRGKRZSA-N 375.381 -0.184 30 20 GBED CN1CCN(CCCNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 496149574 BZZSUTQCFHXVGD-UHFFFAOYSA-N 393.513 -0.068 30 20 GBED Cc1ccc(C(=O)NCCN2C(=O)CCC2=O)cc1S(=O)(=O)NCC#N 505937141 WXNRUEZSYBLSSI-UHFFFAOYSA-N 378.410 -0.324 30 20 GBED CN(CC(=O)N1CCOCC1)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 512570507 SXAKEWPLVGYDTN-UHFFFAOYSA-N 394.453 -0.504 30 20 GBED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)NC)C2)cc1 541966928 PABTUIWYVKDHKL-AWEZNQCLSA-N 389.412 -0.094 30 20 GBED COC[C@@](C)(O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 565228058 FFFNJTHRVNZXHN-AWEZNQCLSA-N 391.471 -0.494 30 20 GBED COC(=O)[C@@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 573459274 YUBXQGLSNBYCBY-JTQLQIEISA-N 375.428 -0.424 30 20 GBED CNC(=O)CN1CCC(NC(=O)N2CCN(c3cnccc3C#N)CC2)CC1 574223433 XMZUOWBHSWWHCT-UHFFFAOYSA-N 385.472 -0.005 30 20 GBED N#CCCC[C@H](N)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 575284230 HSLKAVBDRSJHGU-HNNXBMFYSA-N 394.501 -0.329 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCC(CCN)CC1 584642015 UALCBGSITRHYTF-CQSZACIVSA-N 385.472 -0.027 30 20 GBED C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CC[C@@](O)(CC#N)C1 592149271 LXTWRPJYLGBJPS-SJCJKPOMSA-N 378.454 -0.038 30 20 GBED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 595983159 YYDDSOAOUTUUNT-DOTOQJQBSA-N 386.452 -0.020 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)Nc1ccn(C)n1 597572783 RNKPLFVIVVQOBL-LLVKDONJSA-N 390.425 -0.287 30 20 GBED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCN2CCNC(=O)C2)CC1 611586030 WDTNUMXJUDLJHA-UHFFFAOYSA-N 387.444 -0.313 30 20 GBED CC#CC[C@@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 646366709 WJLULVWNLCVFRI-ZDUSSCGKSA-N 382.442 -0.002 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)CC)cc2)CC1 728530769 RVJLYSOJBOXCBI-UHFFFAOYSA-N 377.466 -0.013 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(CNC(C)=O)cc2)CC1 728590276 ZTEALYRKNCVYNK-UHFFFAOYSA-N 392.481 -0.622 30 20 GBED N#C[C@@H](C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)N1CCS(=O)(=O)CC1 732909368 AGTMIXICPUSIAX-JSGCOSHPSA-N 381.454 -0.257 30 20 GBED C#CCN1CCN(C(=O)CON=C(N)c2ccc(CN3CCOCC3)cc2)CC1 749873315 GILNZDZEGWRJGX-UHFFFAOYSA-N 399.495 -0.067 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(OC)c(S(N)(=O)=O)s1 754168487 LUPHLDBDHRZNJI-SSDOTTSWSA-N 391.427 -0.039 30 20 GBED N#CCOc1cccc(CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 760436819 RTVKXHAHXUYDHL-SJORKVTESA-N 393.465 -0.255 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 761033787 ZTIIHCDHQBMCOZ-UHFFFAOYSA-N 381.414 -0.721 30 20 GBED Cc1cc(F)c2c(c1)C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)N2 771898776 RLFDJAZBEKILPV-UHFFFAOYSA-N 395.372 -0.834 30 20 GBED CCN1CCN(CC(=O)[C@@H](C#N)C(=O)NCc2ccc(F)c(F)c2)C(=O)C1=O 786568539 JTBSYKHOJAGTPZ-GFCCVEGCSA-N 392.362 -0.019 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[C@H]1CCCO1 793585601 BTLFYJXBXXNTSL-ZIAGYGMSSA-N 375.429 -0.816 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)[C@H]1CCCO1 809304358 IPZKZLCEIPLQLE-LSDHHAIUSA-N 385.424 -0.874 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1)[C@@H]1CCCO1 809311246 GTRDEMKQPOAUEC-ROUUACIJSA-N 376.501 -0.231 30 20 GBED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CCn2ncn(C)c2=O)c1 839265840 YUOLQABXZOFYLG-UHFFFAOYSA-N 397.435 -0.155 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)c3cnc(O)n3C)C[C@@H]21 960978202 OKSGGFHHVBGDJR-UQOMUDLDSA-N 376.413 -0.231 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@H]1O 1023916351 TUNWSTQQSJXKKW-CFAJVAMVSA-N 378.429 -0.020 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(C)cc2=O)C[C@H]1O 1023960892 YUTFYFJGJFKNLA-UWIFEVILSA-N 389.452 -0.024 30 20 GBED C#CCNC(=O)CC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1040415597 OGOMUVJPUJYCPE-PDVMFTSQSA-N 377.441 -0.979 30 20 GBED C[C@@H]1CCO[C@@H]1C(=O)N1CCN(c2nccnc2C#N)[C@H]2CS(=O)(=O)C[C@H]21 1054788114 QGALZMHWKSBZMV-BEAPCOKYSA-N 391.453 -0.413 30 20 GBED CC[C@@H]1OCC[C@H]1C(=O)N1CCN(CC#CCOC)[C@H]2CS(=O)(=O)C[C@H]21 1108478226 IIRFIFAAMLMWNO-TWMKSMIVSA-N 384.498 -0.239 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@H]1CCNC1=O 1109396389 COCFLJATRJZOGP-MQYQWHSLSA-N 377.445 -0.754 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)C1CC1 1110327686 GAKGANQQPXHOGI-MCIONIFRSA-N 377.445 -0.754 30 20 GBED COCCNC(=O)Cn1cc(NC(=O)C(=O)NCc2cccc(C#N)c2)cn1 1116281628 DZQRJSLUYIUHRG-UHFFFAOYSA-N 384.396 -0.228 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCNS(=O)(=O)NC(C)C 1261196791 MHOUDSLRQUCODU-OLZOCXBDSA-N 376.479 -0.968 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)O1 1319798748 NKCKZUGPILLPGR-XSAFARDQSA-N 379.417 -0.552 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCS(=O)(=O)C1 1320859104 BYOSBHYEZVOOBL-DGCLKSJQSA-N 385.467 -0.224 30 20 GBED CN(C[C@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1)S(C)(=O)=O 1321889311 AFSRZKQIQYDHNW-CHWSQXEVSA-N 380.492 -0.941 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC2)c1 1327258477 XTTHLFGGICQMKY-CVEARBPZSA-N 396.451 -0.271 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)Cc1cnn(-c2ccccc2)n1 1327406027 VGCFYRXUZNIOFU-UHFFFAOYSA-N 391.453 -0.057 30 20 GBED N#Cc1ccccc1CSCCNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 1340247059 GHIDGLVZVGDILH-CQSZACIVSA-N 376.438 -0.380 30 20 GBED C#Cc1cncc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 1342382811 MXZMIDPNGJYIAX-MRXNPFEDSA-N 390.465 -0.876 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2CCCCCSC)CC1 1343921447 FRGFILSIQIWTDM-UHFFFAOYSA-N 387.535 -0.204 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC2CCN(CCN(C)C)CC2)CC1 1344980364 LKENKTMEWCZGFG-UHFFFAOYSA-N 391.516 -0.883 30 20 GBED C=CCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 1348618111 RLILAGXXQOGQOT-UHFFFAOYSA-N 376.479 -0.964 30 20 GBED CCN1CCC(N2CCCN(C(=O)C(=O)N3CC[C@@](O)(CC#N)C3)CC2)CC1 1349349170 RGMXUFLVJQZWOM-FQEVSTJZSA-N 391.516 -0.118 30 20 GBED C#CCOCCn1nnnc1N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1355800967 LYRPDXLWIASVJM-IYBDPMFKSA-N 380.408 -0.056 30 20 GBED N#Cc1cn(CCC(=O)NCc2ccc(N3CCOCC3)nc2)c(=O)nc1O 1463859526 JJFXYABZRWQPKQ-UHFFFAOYSA-N 384.396 -0.241 30 20 GBED C#CCNC(=O)[C@@H](C)N(C)C[C@H]1CCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573285146 DPVRBLCVPDZDQP-TZMCWYRMSA-N 384.444 -0.131 30 20 GBED N#Cc1nccc(N2CC[C@@H](NC(=O)c3cncc(-c4cnn[nH]4)c3)[C@H](O)C2)n1 1577719027 FZIWVXJLGGPBMR-UKRRQHHQSA-N 391.395 -0.102 30 20 GBED CN1CCN(C(=O)CNC(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)CC1 1579375243 SMQBFIPVRSQVFZ-OAHLLOKOSA-N 382.428 -0.561 30 20 GBED C=CCCO[C@@H](C)C(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[nH]n2)n1 1588608000 BRWMLBQDSLVPBZ-QWHCGFSZSA-N 388.432 -0.041 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)NC[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588658508 NYAOWDYYTWWIJC-UWVGGRQHSA-N 389.420 -0.697 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCN(C(C)(C)C(=O)O)CC1)c1cc[nH]n1 1605542222 JCELHDHKBIYNIR-UHFFFAOYSA-N 395.416 -0.299 30 20 GBED N#CCSCC(=O)N1CCO[C@H](CNc2nccnc2-c2nn[nH]n2)C1 1606351549 VRANOOIVEDXZML-SNVBAGLBSA-N 375.418 -0.447 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@H](O)CN2)C1 1780597275 PPYYOOBNJPJKSN-YNIGFRRXSA-N 395.500 -0.186 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cnc3ccccn13)CCO2 1783558207 QAJLKRQDLYXFFP-FQEVSTJZSA-N 396.403 -0.205 30 20 GBED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1783907792 RJYBIFNALQOGCN-PKOBYXMFSA-N 379.457 -0.730 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NC(C)=O)[C@H]2C1 1784523234 AICPLBICIVBQBC-IWCQGFGOSA-N 393.484 -0.081 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOC1=O 1793162440 KUMVDHOQUZFMGE-HGTKMLMNSA-N 379.413 -0.934 30 20 GBED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCNC2=O 1794973116 XQBSRTUMUHHHEQ-DRXBFXEBSA-N 386.412 -0.867 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1=O 1795450273 CKSWUTKTWDTVQP-BASYENTBSA-N 393.484 -0.229 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)NCC(C)C 1796462510 BKERPOJBLDAUDV-JONQDZQNSA-N 379.457 -0.614 30 20 GBED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)nn1 1800204637 KKXJOTSFDFXLPN-DPIQGUFMSA-N 375.385 -0.546 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(O)cc(O)cc1O)C2 1800779457 GGRMLXYZIZZTTG-PCCFMPIBSA-N 390.348 -0.905 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1 1802476781 MTQVQTZWIYURNC-DETOXJSWSA-N 388.424 -0.744 30 20 GBED CS(=O)(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825664625 NINQWADYPYGFAH-MRVPVSSYSA-N 385.423 -0.812 30 20 GBED Cn1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)n1 1831212747 DIPQVCLOXMRMOV-FQEVSTJZSA-N 386.452 -0.168 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1831402289 SZEHQDUWGXVGRP-HNAYVOBHSA-N 395.456 -0.993 30 20 GBED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1831412634 UXKAAOYWSJIWHR-APWZRJJASA-N 397.472 -0.440 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1831498807 QSIKMNQQNGXTLM-WBVHZDCISA-N 387.502 -0.337 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)COC)CCO2)C1 1831618162 JJVQATCNSRNPKC-FRQCXROJSA-N 382.457 -0.236 30 20 GBED COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1833864123 DHKCMRVXMYUPOH-PXAZEXFGSA-N 398.485 -0.183 30 20 GBED N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)c1ccccn1 1835696381 YUEQLYMVXXDWGA-CTNGQTDRSA-N 398.463 -0.049 30 20 GBED Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)o1 1840509003 UQOOWUCMJHCQBU-LJQANCHMSA-N 390.392 -0.325 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840606054 MXLBQGSPNOBNQH-GFAJBQDWSA-N 392.452 -0.627 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)NC(=O)OCC)C1 1844158407 QLGCRJNQWREDGK-OLZOCXBDSA-N 383.445 -0.173 30 20 GBED N#Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@@H](O)N3CCOCC3)C2)cc1 1844293612 UODQIIRJVJFHQE-LJQANCHMSA-N 398.463 -0.045 30 20 GBED C#CCN1CCN(C(=O)CN2CCN([C@H](C)C(=O)N3CCCC3)CC2)CC1 130447747 CNPPROVAYSRCQF-GOSISDBHSA-N 375.517 -0.608 30 20 GBED CC/N=C(/NCc1ccc(C(N)=O)nc1)N1CCN(c2cnn(C)c2)C(=O)C1 261839745 WETRWJQOWSQAJQ-UHFFFAOYSA-N 384.444 -0.272 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC)C(=O)N2CCOCC2)c1 267800501 XGHWQEVPNCELPN-MRXNPFEDSA-N 393.465 -0.035 30 20 GBED C#CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 297825801 KSLQHXWPMBHTMJ-UHFFFAOYSA-N 394.409 -0.481 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)Cn3cc(S(N)(=O)=O)cn3)CC2)cc1 299562358 SKARRNZTFSXQPS-UHFFFAOYSA-N 388.453 -0.253 30 20 GBED Cc1cnn([C@@H]2CCN(S(=O)(=O)CCCS(=O)(=O)NCC#N)C2)c1 349491528 IEXQOFWAPLIJHS-CYBMUJFWSA-N 375.476 -0.399 30 20 GBED CC(=O)N1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)[C@H](C)C1 349512841 SNHKDNDVCVDRKY-CHWSQXEVSA-N 394.519 -0.567 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](C)O[C@@H](C(N)=O)C3)CC2)o1 366027822 BSFWJORFDHZSHZ-BXUZGUMPSA-N 376.417 -0.922 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 425242234 WHBVRPZOMDDBAH-NSHDSACASA-N 376.464 -0.948 30 20 GBED CCN1C[C@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1=O 453925664 IZORWJZUTBETRB-GFCCVEGCSA-N 384.371 0.559 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 533056985 BNAGYZMHVQBSGO-HWMZRRJGSA-N 386.518 -0.483 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)C[C@@]1(C)CO 595963455 SHVVYULLPCRJIZ-STQMWFEESA-N 379.504 -0.368 30 20 GBED N#Cc1ccc(N2CCN(C(=O)NCCOCCS(N)(=O)=O)CC2)nc1 596623606 XAPKVMWLXKHUQK-UHFFFAOYSA-N 382.446 -0.910 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CCO1 619709760 KGCRZCNFHDLYKN-OLZOCXBDSA-N 379.442 -0.577 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)NC(=O)Nc2ccc(OC)cc2)CC1 728573597 SATPCUDIIKNPTN-UHFFFAOYSA-N 387.440 -0.290 30 20 GBED C[C@@](C#N)(NC(=O)COC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC1 735505129 SKRZLPUYTRUJBB-SFHVURJKSA-N 397.395 -0.052 30 20 GBED C[C@@H](CC(=O)NCCN1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 742469581 DBCCGTUEBJTSNU-ZDUSSCGKSA-N 380.470 -0.048 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 746216864 ZAWXSYBOPJAHMJ-VHEBQXMUSA-N 389.456 -0.331 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)NCCOCCS(C)(=O)=O)CC2)c1C#N 788101993 TVOSKEKMZARBOJ-UHFFFAOYSA-N 398.489 -0.507 30 20 GBED C#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 816674609 FXXBQPJVGBMZEY-AWEZNQCLSA-N 395.481 -0.113 30 20 GBED COC(=O)[C@@H]1[C@H]2CN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C[C@H]21 816968915 SNPRWKPSOPDXOS-JYAVWHMHSA-N 377.422 -0.007 30 20 GBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 819823602 VGGGDOLZBJEAFM-SFHVURJKSA-N 388.428 -0.034 30 20 GBED C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 839335500 YEXLGKHOCGKDKH-OAHLLOKOSA-N 383.452 -0.108 30 20 GBED C/N=C(/NCCN1CCOCC1)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 848994624 RTNZPXAVXKMTOT-YHUYYLMFSA-N 375.473 -0.709 30 20 GBED COC(=O)CNC(=O)[C@@H](C)OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 853669821 CFAYMTHMJZUHGS-SNVBAGLBSA-N 397.409 -0.664 30 20 GBED COc1cc(NC(=O)C(=O)NCCNS(=O)(=O)N(C)C)c(F)cc1C#N 861889777 OMLGKUUUJFDASE-UHFFFAOYSA-N 387.393 -0.843 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2sc(C)nc2C)CC1 872515231 JHXMGCYLUXQJME-UHFFFAOYSA-N 378.501 -0.466 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCc3c2cnn3C)CC1 892013186 JOAMMBQSQZOLID-AWEZNQCLSA-N 380.474 -0.408 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC(=O)NC(=O)C1 1000551209 HCAGEAODCLLDBH-MRLBHPIUSA-N 375.425 -0.122 30 20 GBED C#CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cnnn1 1004726119 NQGAXFUXGKKRAW-YUELXQCFSA-N 381.396 -0.358 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cncc(OC)n2)C1 1023702093 RRJKANSIUVKMFV-DCDXPUDHSA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(OC)ccnc2O)C1 1024792184 MTOGNRSWVARLBU-LPWJVIDDSA-N 377.397 -0.312 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(C)(C)NC(C)=O 1109852416 YZRKZYXRSVYXLF-RDBSUJKOSA-N 379.461 -0.366 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NOC[C@@H]3CCOC3)C2=O)cc1 1117534414 RLPWLJHJJGCGAN-CVEARBPZSA-N 386.408 -0.140 30 20 GBED C[C@H]1CN(C(=O)C(=O)NCc2cccc(OCC#N)c2)CCN1S(C)(=O)=O 1258469125 UGILZGYBPJBZLW-ZDUSSCGKSA-N 394.453 -0.303 30 20 GBED CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)CC1 1288985976 IIGARUSEOLFPNF-LBPRGKRZSA-N 395.489 -0.092 30 20 GBED C#CCNC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2cccnc2)CC1 1322772812 HGJWEMVZNSFLTD-UHFFFAOYSA-N 378.454 -0.310 30 20 GBED CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)c1 1326367704 FPNPFYOEGIFTIQ-KRWDZBQOSA-N 395.437 -0.074 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)N[C@@H]1CCS(=O)(=O)C1 1340246233 PXTWXLWHSDNHOW-CHWSQXEVSA-N 378.458 -0.838 30 20 GBED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C(=O)N2CCC[C@@](C)(C#N)C2)C1=O 1347029231 VYQHKDZGMLAITB-UUWFMWQGSA-N 375.429 -0.025 30 20 GBED CC(C)N(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1541945905 NATGNKLSUWBFRO-KGLIPLIRSA-N 399.521 -0.043 30 20 GBED C#CCNC(=O)[C@@H](C)NCC[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588353221 KXZVIIXNYYHCEN-OLZOCXBDSA-N 384.444 -0.226 30 20 GBED C=CCOC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O 1588850741 BIISAKZKHFJQMZ-RISCZKNCSA-N 381.410 -0.003 30 20 GBED C#CCOCCN1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 1602729079 CMBSBTNDYRZTSX-UHFFFAOYSA-N 376.442 -0.177 30 20 GBED C#CCOCCNC(=O)C(=O)N(CCOC)Cc1ccc(-c2nn[nH]n2)cc1 1602729133 FYAYJLAEMZUITI-UHFFFAOYSA-N 386.412 -0.392 30 20 GBED C[C@@H](C(=O)NCC(=O)O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1603160931 KWKPJPVKYXKIDB-LBPRGKRZSA-N 380.426 -0.546 30 20 GBED COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1Cc1cccc(C(=O)O)c1C#N 1606514849 RLNBMWJHZYQFBJ-FZMZJTMJSA-N 386.364 -0.076 30 20 GBED N#Cc1cn(CCC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)c(=O)nc1O 1626578848 OAJISLRHLZIXEM-CYBMUJFWSA-N 395.441 -0.763 30 20 GBED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CC2)C1 1771363046 QYBOZFLCFPLIFV-KBPBESRZSA-N 396.473 -0.250 30 20 GBED C[C@](O)(C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C(F)(F)F 1783557949 MQKAEMVMZRSVPP-KBPBESRZSA-N 378.303 -0.782 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOC3=O)C[C@@H]21 1784477466 CICQABQBLQUKPH-VGWMRTNUSA-N 393.440 -0.543 30 20 GBED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)nc3O)[C@H]2C1 1787432452 UXSZDDQBMWGLRI-QSFUFRPTSA-N 382.442 -0.201 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCCC3=O)[C@H]2C1 1791183170 RIAZXXMKKWLCDU-KKUMJFAQSA-N 391.424 -0.933 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1791265150 CDMSLTBRFSEUOM-PEDHHIEDSA-N 390.527 -0.138 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n(C)n1)C2 1793340564 KRCRZZXPDAFNSB-NFFDBFGFSA-N 376.413 -0.633 30 20 GBED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1793380137 JCBFPBKFLADPAP-BAESOJJISA-N 398.485 -0.918 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1=O)C2 1797708432 YJKQEDCNEGBVEA-KRXQYRFLSA-N 393.484 -0.229 30 20 GBED CC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1800510362 JXTLHERPVAAYSW-SCNUHAGKSA-N 396.444 -0.759 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1835357269 OTURRZVSGSEGIJ-SFHVURJKSA-N 399.411 -0.502 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839781166 HVRTWWYCPITHGN-PBHICJAKSA-N 399.469 -0.676 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1840170412 DNTCEFSQWQQSSG-SFHVURJKSA-N 381.429 -0.398 30 20 GBED COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1840322685 RACNDVFKOBKWNM-XHDPSFHLSA-N 375.447 -0.883 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)n2cnnn2)CCO3)C1 1840472946 GJTMAQZQLFKTGY-KSSFIOAISA-N 390.444 -0.343 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)CCC1 1840812494 UUEPEIBREZGCQL-UGSOOPFHSA-N 392.412 -0.755 30 20 GBED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)CNC(=N)N)C2)c(C#N)c1 1842884055 QWIWZFFZSVDBDJ-UHFFFAOYSA-N 384.440 -0.204 30 20 GBED Cn1c(=O)ccn(CC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1=O 25856578 DAHSPPXSOWRELL-UHFFFAOYSA-N 384.396 -0.367 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](C(=O)NCCC)C2)c1=O 124638385 ZEBZGOZXHLQDMW-OAHLLOKOSA-N 391.472 -0.261 30 20 GBED Cn1c(=O)ccn(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1=O 268015278 QLPFQSAOHICUTG-GFCCVEGCSA-N 377.401 -0.482 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCN(C(N)=O)CC1 268839375 QELHVKMRMBQKKK-GFCCVEGCSA-N 379.442 -0.162 30 20 GBED COCC(=O)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 270284565 MTRCUJYHWBXMFI-UHFFFAOYSA-N 394.453 -0.504 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OCC 290102763 QNLXOVYNZKGAQT-LLVKDONJSA-N 385.442 -0.063 30 20 GBED Cn1c(=O)/c(=C/c2ccccc2)s/c1=C(/C#N)C(=O)NCCN1CCOCC1 298683451 XWRLRXWXMFNDOH-ZWFJOCSISA-N 398.488 -0.602 30 20 GBED C[C@H](Cn1cncn1)/N=C(/O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 329344550 QOBYVIRPCBMJQQ-ZIAGYGMSSA-N 386.478 -0.293 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(C(O)=Nc3ccc(=O)n(C)c3)CC2)cn1C 330036865 CWQMIXQLTJLZFL-UHFFFAOYSA-N 394.457 -0.021 30 20 GBED CCS(=O)(=O)C[C@H](C)/N=C(/O)N1CCN(C(=O)C(=O)NC(C)C)CC1 330753099 CWWVZEVEFKNJGI-LBPRGKRZSA-N 376.479 -0.608 30 20 GBED CO[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)C[C@H]1O 349450258 LZGRIUKCZWFFLC-VXGBXAGGSA-N 389.455 -0.789 30 20 GBED C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1ncccc1C#N 349455545 CWVTXAYKXSDHAC-DGCLKSJQSA-N 388.471 -0.130 30 20 GBED CCN(C1COC1)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 349473118 HOUXTAWLBBCXPN-GFCCVEGCSA-N 397.544 -0.302 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)N(C)C 460703542 HLXDXYCAACYNCK-CQSZACIVSA-N 395.423 0.465 30 20 GBED CN(C)C(=O)Cn1cnc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1 475833112 BNIUULBVOMPQHC-UHFFFAOYSA-N 383.416 -0.013 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 509180911 BKAPSUCHLYZXMM-DZGCQCFKSA-N 395.485 -0.342 30 20 GBED Cc1ncc(S(N)(=O)=O)cc1C(=O)N(CCC#N)CCN1CCOCC1 515387364 CUUDXBZDMUEQAG-UHFFFAOYSA-N 381.458 -0.275 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](NC(N)=O)C1 544212421 QZMYZYUKSZJLDG-LBPRGKRZSA-N 375.385 -0.209 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H](C(=O)OC)C2)cc1 592329135 NQLQIYMPEYDUSN-HIFRSBDPSA-N 389.408 -0.077 30 20 GBED Cc1nc(=NS(=O)(=O)c2ccc(S(=O)(=O)N[C@H](C)CC#N)cc2)n(C)[nH]1 594534498 AEPPYZRWIQGLDQ-SNVBAGLBSA-N 398.470 -0.073 30 20 GBED Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)nn1CCC#N 616098524 FAWMCWRCWSTTML-UHFFFAOYSA-N 393.433 -0.238 30 20 GBED CC(=O)NCC(=O)NCC(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 726998942 FKNSSJVRCIMFSD-UHFFFAOYSA-N 398.379 -0.522 30 20 GBED C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F 735374991 QLMORNFCTNXFLU-NSHDSACASA-N 399.429 -0.183 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)NCCc2ccc(F)cc2)CC1 761025691 XQGDNHURWFFOCF-OAHLLOKOSA-N 396.488 -0.042 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCN1C(=O)CNC1=O 767678490 CYXKSJASYYXJKP-JTQLQIEISA-N 380.382 -0.680 30 20 GBED COc1cccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1OC 771889300 AOJXHNADPGKSRU-UHFFFAOYSA-N 382.398 -0.586 30 20 GBED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 781460205 UIXMRIBBGZMNNL-WFASDCNBSA-N 395.437 -0.360 30 20 GBED CNS(=O)(=O)CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 784570766 HQFSHISHRGMERH-GHMZBOCLSA-N 375.451 -0.406 30 20 GBED C#CCn1ccc(CN(CC)S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)n1 788696345 PVPAOJSNLIJSEC-UHFFFAOYSA-N 389.503 -0.840 30 20 GBED C=CCN1CC[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C1=O 798637579 WLTDRKRIGOBUST-RISCZKNCSA-N 395.437 -0.218 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2nc3c(s2)CCCC3)c(=O)n(C)c1=O 814883277 HUHCERXESHFZOB-UHFFFAOYSA-N 383.455 -0.268 30 20 GBED C#CCNC(=O)CCN1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 815085894 FDHJERNLYLBQEY-QGZVFWFLSA-N 386.500 -0.019 30 20 GBED C#CC[C@H](CO)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 816670656 BIAILKOXTWHTKA-MRXNPFEDSA-N 379.482 -0.198 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2C(=O)O)CC1 833365128 BXFURBJVFVHYBO-UHFFFAOYSA-N 379.438 -0.251 30 20 GBED C#CC[C@H](CO)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 854542945 SXFNAUQXJWLPMU-ZBFHGGJFSA-N 395.481 -0.284 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)C[C@H](CC(C)C)OC)CC1 872515530 PMZIREZYUWMQTG-AWEZNQCLSA-N 381.520 -0.538 30 20 GBED C#CCN1CCN(C(=O)CNC2(C(=O)N3CCOCC3)CCCCC2)CC1 934057575 LTMKFLDULPZEPZ-UHFFFAOYSA-N 376.501 -0.085 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@@H]1O 964477086 VNEUWFZGGHFEIP-AEIGPULVSA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1CC 984989344 PQOHDYBDZPQZCC-OSRDXIQISA-N 390.444 -0.536 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C)S(C)(=O)=O)nn1 1002761244 NZJFRTROIIUBDY-SFTQSGBHSA-N 381.458 -0.241 30 20 GBED C#CCNC(=O)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1080824638 UUWQHJVFTYEEHW-KFWWJZLASA-N 377.441 -0.837 30 20 GBED CC(C)(CN1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110717974 RDKZBOJDEZYVDL-OAGGEKHMSA-N 377.489 -0.294 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)C(=O)NC(N)=O)CC1 1111456505 HHCRQSMTLGEXPF-XZDPQHSOSA-N 375.473 -0.364 30 20 GBED CN1CCN(C(=O)c2ccc(CNC(=O)C(=O)N3CCO[C@H](C#N)C3)cc2)CC1 1117029126 NBUVJQULPVXVOA-QGZVFWFLSA-N 399.451 -0.559 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1117874015 UYECOERPCNKTEO-KRWDZBQOSA-N 390.484 -0.843 30 20 GBED C[C@@]1(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC(=O)N1 1118079244 ATYIVQVZUUTDIU-QRWLVFNGSA-N 397.435 -0.045 30 20 GBED CCN(CCO)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 1118308023 SAQFMPMLAYXLMF-CYBMUJFWSA-N 396.469 -0.259 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N2CCn3c(nnc3C(F)(F)F)C2)CC1 1119029973 CBQGGIUMKJGRKO-UHFFFAOYSA-N 385.350 -0.303 30 20 GBED N#Cc1ccc(NCCNC(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)nc1 1321427931 ZSHMIWJKFPRWDA-UHFFFAOYSA-N 384.440 -0.001 30 20 GBED C#CCOCCNC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 1322492881 SJIOMSOPRXYRPT-UHFFFAOYSA-N 387.845 -0.500 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCO[C@H](C(F)(F)F)C1 1322696131 UBAMCAHHUPGDJK-IUZMTQGWSA-N 390.318 -0.581 30 20 GBED C[C@H](NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1ncn(C)n1 1323788753 ICADVYIYXFMJCQ-NEPJUHHUSA-N 383.416 -0.609 30 20 GBED NC(=NOCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)cn1 1335367794 OZHOBQWRPPEALT-SECBINFHSA-N 391.247 -0.216 30 20 GBED C[C@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)N(C)C 1346756674 CRSGJSKCJVIDOL-SWLSCSKDSA-N 385.424 -0.632 30 20 GBED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C(=O)N1CCS(=O)(=O)CC1 1515065974 DAIBNWPAKNHMNP-ZIAGYGMSSA-N 381.454 -0.399 30 20 GBED N#Cc1ccc(N2CCN(C(=O)NCCOCCOCC(=O)O)CC2)cn1 1574487749 GALIJGSAOXDRKM-UHFFFAOYSA-N 377.401 -0.097 30 20 GBED Cc1cc(F)cc(-c2nn[nH]n2)c1S(=O)(=O)NCCn1cnc(C#N)n1 1580934576 UOZWFTIKLQJQHN-UHFFFAOYSA-N 377.365 -0.244 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@H](O)CNCc1cc(F)ccc1-c1nn[nH]n1 1588505288 OUEXFOZNRIZDNV-DYVFJYSZSA-N 378.408 -0.100 30 20 GBED Cn1c(N2CCC[C@](C#N)(c3ccccn3)C2)c(-c2nn[nH]n2)c(=O)n(C)c1=O 1592553210 FWVGSQZZSCUUGT-GOSISDBHSA-N 393.411 -0.279 30 20 GBED N#Cc1c[nH]ccc1=NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1592704090 SLRRCCWNYGVIQU-CYBMUJFWSA-N 379.384 -0.164 30 20 GBED O=C(NCC#Cc1ccccc1)C(=O)N1CCN([C@]2(C(=O)O)CCOC2)CC1 1601446867 RRCFDYVZIRKQLT-HXUWFJFHSA-N 385.420 -0.458 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C1 1602756738 WYIMJHMRVOXKTO-STQMWFEESA-N 385.432 -0.178 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCS(C)(=O)=O 1723917643 XEULKUJPVAWJJL-QWRGUYRKSA-N 392.507 -0.329 30 20 GBED Cn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cn1 1769015712 IPMJBSIDIKLEED-KGLIPLIRSA-N 391.457 -0.309 30 20 GBED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1 1777999733 YWBBDLUBNFGUHH-FRQCXROJSA-N 382.505 -0.231 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1781389050 NFOOQMZKBVKYST-KBXCAEBGSA-N 397.476 -0.112 30 20 GBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)COCCOCCOCCOC)CCO2 1783056318 TWGCHKDLGSUEKL-IBGZPJMESA-N 398.456 -0.854 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)CN(CCO)CCO)C3)C2)C1 1783251509 HZUSJQARMMRHPU-IBGZPJMESA-N 381.473 -0.931 30 20 GBED CN(C)c1ncc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)o1 1783561080 BCKKIOQPYNWDMU-QGZVFWFLSA-N 376.369 -0.728 30 20 GBED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783886385 PAQLYXZRKAPGBT-LALPHHSUSA-N 393.531 -0.538 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C2 1793340314 ROBCQXHDRLLNEI-DMRZNYOFSA-N 379.457 -0.471 30 20 GBED CN(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1795184361 RHZMUYVIYHFVQC-GGMLEPMZSA-N 382.461 -0.333 30 20 GBED O=C(Cn1cncn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1795851290 XJRNFKOVMOABGD-XEMDLRDOSA-N 379.420 -0.081 30 20 GBED CC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797810000 JVCRHXVRKYODRW-ULWRULGKSA-N 383.445 -0.124 30 20 GBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1800980301 DZIWEQGTSZWVPY-NWBUJAPZSA-N 378.516 -0.425 30 20 GBED COC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1801203744 ZVCNJSFTRYBIIZ-VSZVZYARSA-N 395.460 -0.596 30 20 GBED N#CCC(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807021541 JFMDUJNAJATRAS-XJKSGUPXSA-N 395.356 -0.274 30 20 GBED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3n(n1)CCNC3=O)CC2 1825015319 GCAVTEPGCBUQQW-VIFPVBQESA-N 384.421 -0.058 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1834760983 OJJQOYWADDXLEC-SFHVURJKSA-N 387.396 -0.610 30 20 GBED C#CC(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1834797632 RJRDHBIANAKDLV-UHFFFAOYSA-N 397.439 -0.764 30 20 GBED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2)C(F)(F)F 1835435633 HSEVGBGXTKTWJZ-OAHLLOKOSA-N 393.362 -0.351 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1837397848 WUNYNOZZLOMBAZ-LIRRHRJNSA-N 397.472 -0.896 30 20 GBED CO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840209387 NMRFEDDNBREYEM-OTLWHIMFSA-N 396.488 -0.051 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842919410 BHIOFAVNZYXQMC-CYBMUJFWSA-N 378.477 -0.081 30 20 GBED C=CCN1CCC(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 264472858 JEJZNWRSMZIPDF-AWEZNQCLSA-N 382.486 -0.082 30 20 GBED CS(=O)(=O)CCOCCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 266589498 YMENHLPIMXHEKE-UHFFFAOYSA-N 381.458 -0.154 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN2C(=O)NC[C@@H]2C1 268907563 SDNJOQJOPOZWLQ-DGCLKSJQSA-N 377.426 -0.539 30 20 GBED C/N=C(/O)C1(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)CC1 329158983 XGIHHIPKULAPJS-BETUJISGSA-N 388.490 -0.149 30 20 GBED CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N1CCCOC1 349498298 CCIOYZMXJVGGQY-UHFFFAOYSA-N 391.475 -0.084 30 20 GBED CN(C)S(=O)(=O)N[C@H](CNS(=O)(=O)N(C)CCC#N)C1CCCC1 451917348 CAHLUPLBETZLHH-CYBMUJFWSA-N 381.524 -0.379 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 460597264 IWFQUWRHFHUSRB-KBPBESRZSA-N 395.423 0.546 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@]2(C#N)CCOC2)c1 478648627 WAFNXXNPSZWCGX-INIZCTEOSA-N 382.442 -0.322 30 20 GBED Cc1nc(S(=O)(=O)NCCC(=O)NC[C@H]2CCCN(CC#N)C2)cn1C 479897555 DIDZCEYCKJMTAD-CQSZACIVSA-N 382.490 -0.251 30 20 GBED N#Cc1ccc(NCC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 502715456 JDAMRFNLPXBNAX-CVEARBPZSA-N 378.454 -0.416 30 20 GBED COCC1(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCNCC1 516970823 HAAFKJUQDTXBDD-UHFFFAOYSA-N 380.470 -0.031 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCn3cccn3)C2=O)cc1 551842005 UOWSANLJFIMKCW-INIZCTEOSA-N 380.408 -0.212 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC3(CC2)NC(=O)NC3=O)CC1 578057727 OTVJSEGXGWNNRX-AWEZNQCLSA-N 376.461 -0.647 30 20 GBED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[C@](O)(CC#N)C1)CC2 592301650 MNCHHNMAGRLVHM-QGZVFWFLSA-N 392.437 -0.639 30 20 GBED COC(=O)[C@H]1C[C@H](O)CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 592904419 AMCGNYXYYZAHCU-STQMWFEESA-N 381.410 -0.781 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)c1 617871155 DWPFGNVADNWOFZ-KBPBESRZSA-N 388.467 -0.307 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1 728532886 NHXUENWVIHZWEZ-UHFFFAOYSA-N 395.257 -0.496 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC[S@@](C)=O)CC2)c1 741142261 TVKABZTWFAZPAN-RUZDIDTESA-N 397.522 -0.266 30 20 GBED C#CCNC(=O)C1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 747820118 KDYIRAGQAZTLGM-UHFFFAOYSA-N 378.454 -0.266 30 20 GBED CCNS(=O)(=O)CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758471627 DNBHVSSUAPLEQP-NEPJUHHUSA-N 389.478 -0.016 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCN1CCOCC1=O 785300466 JPJIVDUHKZBAER-GFCCVEGCSA-N 381.410 -0.373 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Cc1ccccc1CC#N)C2 786228793 FYFXYZKFTYYJMU-UHFFFAOYSA-N 382.424 -0.216 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@]3(CCO[C@@H]3C)C2)c1=O 794666044 MIOAZZDUKPSWBY-RDTXWAMCSA-N 378.429 -0.619 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC3(CC2)CNC(=O)O3)c1 811326740 SFROQLJJZWKXMT-UHFFFAOYSA-N 378.410 -0.062 30 20 GBED N#CC(C#N)=c1sc(=Cc2ccc(-c3nn[nH]n3)o2)c(=O)n1C[C@@H]1CCOC1 826379550 VFVUYFWJXXOLHU-JTQLQIEISA-N 395.404 -0.254 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 829151772 QOKRPBSTTFYOQK-UKRRQHHQSA-N 375.429 -0.472 30 20 GBED C[C@@H]1NC(=O)N(CCOC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1=O 837321542 JPORZJFMIVPCCG-JTQLQIEISA-N 380.382 -0.680 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2nccn2C(F)F)CC1 892666940 OVYLGXKWFWMKBK-UHFFFAOYSA-N 376.389 -0.427 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1nc[nH]n1 960997702 LOZYLGUIVFWBDB-CBBWQLFWSA-N 375.429 -0.233 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O 998598581 FZBDLLAXVQJGCC-MRLBHPIUSA-N 390.440 -0.280 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1O 1023960881 YJONKJOTSOKSNZ-TUVASFSCSA-N 386.470 -0.910 30 20 GBED C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]2n2ccnn2)CCN1C 1051472552 PDIWWJJFEIOILN-MIGQKNRLSA-N 381.444 -0.174 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2noc(CCOC)n2)C[C@H]1O 1077821847 JWIJNEJYWRMEHK-CFAJVAMVSA-N 380.445 -0.099 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(N)=O 1110155992 JWHJRYBSEJHFEF-WOPDTQHZSA-N 380.449 -0.833 30 20 GBED CON(C)C(=O)[C@H](CCSC)NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1116297689 QFPQGNDHGIPHKG-JKJHPVACSA-N 399.473 -0.047 30 20 GBED Cc1oc(-c2cnn(C)c2)nc1C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1122497339 CWUZXACRNPKMRA-GFCCVEGCSA-N 391.409 -0.037 30 20 GBED CN1C[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1=O 1322649947 NYBBLKIPYOVXBC-HIFRSBDPSA-N 383.408 -0.483 30 20 GBED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1323925852 UGOICYZZWLBQQY-HNNXBMFYSA-N 378.454 -0.086 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C1 1329301799 AXPHZOLBKCOWHU-YLJYHZDGSA-N 386.452 -0.119 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)C1=O 1329412015 JUVWWEKCJZILKW-QGZVFWFLSA-N 391.516 -0.530 30 20 GBED CCN1CCN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1=O 1331228559 SNEYWHFZKKTLEA-CYBMUJFWSA-N 385.428 -0.924 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H](CC)CN2CCOCC2)CC1 1333275296 AMPYEBCWVPAKDX-MRXNPFEDSA-N 378.473 -0.799 30 20 GBED Cn1cc(N2CC[C@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)cn1 1343519000 XXDPBRCXUCHMSH-AWEZNQCLSA-N 388.453 -0.035 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)C1 1349211247 JQYXLNWRVBQPHN-GOSISDBHSA-N 376.388 -0.522 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)NCCCN(C)S(C)(=O)=O 1350570006 XKEHPBQFIDHZED-UHFFFAOYSA-N 381.454 -0.288 30 20 GBED N#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)CC(=O)NCc3cnn[nH]3)C2)[nH]1 1577712467 NUESWRHOBYURHR-KLPPZKSPSA-N 384.400 -0.664 30 20 GBED CS(=O)(=O)C1(Cn2c([C@@H]3COCCN3)nnc2N2CC[C@](F)(C#N)C2)CC1 1579336345 YSBJRULFUSHALN-WFASDCNBSA-N 398.464 -0.042 30 20 GBED C#CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588353356 PLANVRPIKRIDOC-FRRDWIJNSA-N 384.444 -0.370 30 20 GBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588353468 UGOVXWHIOKEHIS-JSGCOSHPSA-N 384.444 -0.131 30 20 GBED C=CCOCC(=O)N(C)CCN1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 1588666323 CTHXSVQZIYQTDD-UHFFFAOYSA-N 387.448 -0.560 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588718676 PNBDEZMZDCTFRI-YPMHNXCESA-N 387.400 -0.911 30 20 GBED CCn1cc(-c2nn[nH]n2)c(=O)n(C[C@H](O)COc2ccc(C#N)cc2)c1=O 1590949470 FXCAOBCKHYCIAM-LBPRGKRZSA-N 383.368 -0.478 30 20 GBED CN(C[C@@H](O)c1cccc(-c2nn[nH]n2)c1)c1c(C#N)c(=O)n(C)c(=O)n1C 1591054562 YDUAQOWGOYAHMX-CYBMUJFWSA-N 382.384 -0.694 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@]1(O)CCOC1 1761465720 YDSZZDAISKIYRK-HUBLWGQQSA-N 386.478 -0.222 30 20 GBED CO[C@]1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1769770022 LFICNLMOLCAMJT-DCGLDWPTSA-N 376.417 -0.237 30 20 GBED COCCOCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780333074 RPAJSEUIMYZYKO-GOSISDBHSA-N 376.413 -0.007 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1CN(C)C1)CCO2 1781270624 HYKZYBZFXCZCFQ-LJQANCHMSA-N 379.457 -0.113 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1783554776 FOUKXIBLPLXWFM-INIZCTEOSA-N 377.309 -0.281 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSC(=N)N)[C@H]2C1 1786774170 AUPHOOFBDZUORF-XUXIUFHCSA-N 382.486 -0.369 30 20 GBED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786891953 KKCABWXYJFLUNU-QAETUUGQSA-N 392.500 -0.248 30 20 GBED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(O)O)C[C@@H]32)c1 1789256120 MTVPQGSZUOUGQQ-RCBQFDQVSA-N 389.408 -0.529 30 20 GBED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]2C1 1790636891 SNYJWMBXZUJOKG-KKUMJFAQSA-N 393.440 -0.687 30 20 GBED Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)no1 1791538966 QLMNJRLKQKAVCH-QEJZJMRPSA-N 375.381 -0.407 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1793360687 YIJMZLZFHVLYDL-VUWABONQSA-N 398.456 -0.217 30 20 GBED CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)ON=C(C)C)C2)C(=O)O 1795645590 NHAPEOYNOLCINJ-HAFSJTIUSA-N 398.460 -0.560 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1 1796354325 RYAWRMRGIDBAAL-OHTBPHCPSA-N 390.396 -0.871 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)[C@@H](O)C=C)C2 1797940924 GFWPSPDKPROFRA-LFYQSXPISA-N 393.484 -0.160 30 20 GBED C[C@@H](Nc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800776086 UNHWHNZBWSUAKN-ZUMXRPEOSA-N 386.408 -0.440 30 20 GBED C[C@H](S)C(=O)N[C@H]1CCc2nc(NC(=O)CC[C@@H](N)C(N)=O)sc2C1 1815067503 BJZJWWDBGBOXOH-XHNCKOQMSA-N 385.515 -0.034 30 20 GBED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1833475707 IGWRIFMOUVHQKX-YOEHRIQHSA-N 381.521 -0.565 30 20 GBED Cn1ncnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1833837804 PHQDYJPMDLWVDC-KRWDZBQOSA-N 376.417 -0.565 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)[C@@H](C)CC)CCO2)C1 1835589333 RYHUFLWFGMLCNH-CLWJZODNSA-N 395.500 -0.146 30 20 GBED C[C@@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839162789 AYLWTKOIULFDLG-FZKQIMNGSA-N 389.412 -0.909 30 20 GBED Cc1ccn(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043010 BWXQXFMCRGTRAF-LJQANCHMSA-N 389.408 -0.508 30 20 GBED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843414782 CIJUPVMGZHRYCU-GFCCVEGCSA-N 375.516 -0.066 30 20 GBED COC[C@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259429 OYYGFRXODUEQEK-YODDIOPGSA-N 393.488 -0.187 30 20 GBED COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)cc1 14144278 JOEGRZXEEPAPCS-UHFFFAOYSA-N 390.425 -0.309 30 20 GBED C/N=C(/NCCc1c(C)noc1C)N1CCN(CC(=O)N2CCOCC2)CC1 262745955 AKQXFQNTSVARQV-UHFFFAOYSA-N 392.504 -0.114 30 20 GBED CNC(=O)[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCO1 272855162 RFENPWOZGWYHMT-SMDDNHRTSA-N 380.426 -0.802 30 20 GBED C#CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3nnc[nH]3)CC2)cc1 273365771 PCVPAWMTYMTIJT-UHFFFAOYSA-N 375.410 -0.037 30 20 GBED C=CCn1c(CC2CC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 282250219 KTZPEJKFGOMPJP-UHFFFAOYSA-N 386.460 -0.117 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N[C@@H](C)CC)CC2)CC1 286448637 HIUYULKXZFZPID-INIZCTEOSA-N 393.532 -0.188 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCn1cc(CO)nn1 290650456 QVGSPMJWBKHKRI-LBPRGKRZSA-N 392.441 -0.485 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)N(C)C 291539533 LRQSWTTYAGXABC-NSHDSACASA-N 388.471 -0.767 30 20 GBED C/N=C(/O)[C@@H]1CCCCN1CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 329084760 FYHDHGOHECYFIF-CABCVRRESA-N 386.518 -0.242 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H]1COC[C@H]1O 349450770 MQKVCSOJCSGFQJ-VXGBXAGGSA-N 389.455 -0.789 30 20 GBED C[C@@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncccc1C#N 349488432 ZYLKNNGDGWKGKX-LLVKDONJSA-N 376.460 -0.273 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 349615312 ZUMTUTMARFBYES-LXTVHRRPSA-N 389.499 -0.233 30 20 GBED C=CCN1CC[C@@H](N(C)CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)C1=O 500009985 FKUAGZKMRWTFIU-LSDHHAIUSA-N 387.502 -0.633 30 20 GBED N#Cc1cn(C2CN(C(=O)NCCc3cccc(C(N)=O)c3)C2)c(=O)nc1O 527721101 OCBPQGLZMIOUEU-UHFFFAOYSA-N 382.380 -0.272 30 20 GBED Cn1cc(CN2C[C@@H](F)C[C@H]2CNc2c(C#N)c(=O)n(C)c(=O)n2C)cn1 530477807 OCKHXLNFGPRUSW-STQMWFEESA-N 375.408 -0.286 30 20 GBED COC(=O)c1cccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1C#N 535205467 HVPWYOKJMHXSJR-SJORKVTESA-N 393.465 -0.068 30 20 GBED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(C)c1=O 586106864 AZDRIQIZMCSRRB-UHFFFAOYSA-N 389.506 -0.433 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cc(F)ccc2NS(C)(=O)=O)CC1 728534567 OPYDHORFRMDKFV-UHFFFAOYSA-N 396.444 -0.296 30 20 GBED CCN(CC)C(=O)CN1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 733893304 KMERLYKVUAKHDE-VHEBQXMUSA-N 391.472 -0.085 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 735381907 RZCMKVMXHVUAIF-UHFFFAOYSA-N 382.428 -0.828 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCS(=O)(=O)CC[C@H]2C)c1=O 762117791 DYTGFPMNWDEHGF-CYBMUJFWSA-N 384.458 -0.990 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1CCOC 765145842 UAIKIJATPHFDOR-UHFFFAOYSA-N 379.463 -0.125 30 20 GBED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)CC1(C#N)CCCC1 779321988 XTQCDZIFHZGBKX-ZDUSSCGKSA-N 384.458 -0.357 30 20 GBED CCS(=O)(=O)NCCCOC(=O)CNS(=O)(=O)c1cccc(C#N)c1 795334283 PZHLZMSXDHYFMA-UHFFFAOYSA-N 389.455 -0.291 30 20 GBED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)[C@H](C#N)C1 800075152 ZWIXPXZGOCZVRZ-OLZOCXBDSA-N 385.446 -0.100 30 20 GBED C#CCNc1nc(NC[C@@H]2CCCNC2=O)nc(NC[C@@H]2CCCNC2=O)n1 840352951 YOMIXTBDGGXFMT-STQMWFEESA-N 386.460 -0.207 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NOCCN1CCCC1=O 856040839 ICSQMYNEKKZPEZ-LBPRGKRZSA-N 380.426 -0.105 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1c(C)noc1C 895519350 YKWOLNRHQHCBIQ-JTQLQIEISA-N 388.402 -0.487 30 20 GBED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc3c2OCC3)c1=O 901557035 JPTBGFVJVZHTKQ-UHFFFAOYSA-N 397.456 -0.256 30 20 GBED C#CC1(O)CN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 934445877 SUEIVEVESBBTHG-UHFFFAOYSA-N 379.438 -0.674 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cn(C)cn1 993537587 SGCHGHLVFUSFNC-OVAAFMSASA-N 389.456 -0.313 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)CSC)[C@H]2CS(=O)(=O)C[C@H]21 995451334 WCNBNSFLIKGXAI-RQJABVFESA-N 388.511 -0.223 30 20 GBED C=CCn1cccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1024390803 UZJNESOZIZFHGO-MUIFIZLQSA-N 376.457 -0.305 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)C1 1118158556 WXFTVAPOJXZKMO-YGRLFVJLSA-N 376.335 -0.467 30 20 GBED C=CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 1129098666 PZWIJNFFPBVZSX-OLMMMNRUSA-N 388.472 -0.119 30 20 GBED Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CC(O)(CC#N)C3)CC2)cn1C 1320484131 PLRBUASLZGYKFE-UHFFFAOYSA-N 381.458 -0.384 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)CCO1 1325670130 PDSSYFTYKYLRGZ-WDEREUQCSA-N 378.335 -0.063 30 20 GBED CS(=O)(=O)CCCNC(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 1327957158 ACLJDABHBMSISF-UHFFFAOYSA-N 384.483 -0.181 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 1343812016 RKIRCMJOISISPN-RDJZCZTQSA-N 394.472 -0.719 30 20 GBED C=C(C)Cn1c(CN2CCC(O)CC2)nnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1346344164 HLVRBKXVLHIXFP-GASCZTMLSA-N 388.472 -0.138 30 20 GBED C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nncn1C 1359467419 RQJVOWXYORQDOV-WDEREUQCSA-N 381.466 -0.339 30 20 GBED C#CCN(C(=O)C[C@@H]1CCCO1)C1CCN(CC(=O)NCc2cnn[nH]2)CC1 1574894546 BMPFXFBFSITFLX-KRWDZBQOSA-N 388.472 -0.084 30 20 GBED C#Cc1ccc(C(=O)N2CC[C@@](C)(CNCC(=O)NCc3cnn[nH]3)C2)cn1 1575021364 FWJWCLPEJYEFMP-IBGZPJMESA-N 381.440 -0.061 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)[nH]1 1577712744 XLDAPPJCXALAFU-HOCLYGCPSA-N 382.428 0.000 30 20 GBED N#C[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 1581860427 ZPENMDMPJZQRPT-TZMCWYRMSA-N 387.425 -0.141 30 20 GBED N#Cc1cc(C(=O)N2CCO[C@H](CN=c3cc[nH]c(-c4nn[nH]n4)n3)C2)c[nH]1 1581864464 WYVKSYUWXAXRMH-GFCCVEGCSA-N 380.372 -0.769 30 20 GBED C#CCN(C(=O)Cn1ccnc1)C1CCN(c2nccnc2-c2nn[nH]n2)CC1 1588348265 OAMNVNFSNSJYPJ-UHFFFAOYSA-N 392.427 -0.016 30 20 GBED C#CCNC(=O)[C@@H](C)NC[C@H](C1CC1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588353049 FDFZGSLVBRAIJG-IAQYHMDHSA-N 384.444 -0.227 30 20 GBED CO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1591468956 HQRSRMUXNCWACH-ZIAGYGMSSA-N 395.383 -0.336 30 20 GBED C[C@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@@H](C(=O)O)O1 1599914436 YXBDXBITERDPSE-GWCFXTLKSA-N 384.352 -0.222 30 20 GBED C#CCCCS(=O)(=O)N1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 1602711145 JVBYTTZBRWQOEC-UHFFFAOYSA-N 378.462 -0.226 30 20 GBED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)n1cnnn1 1780337462 FOHFUAQAVSGXGF-YVEFUNNKSA-N 384.400 -0.422 30 20 GBED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)CNC(=N)N)CCO3)C2)c1 1781961341 BNXMOAWKRWRQTH-SFHVURJKSA-N 388.403 -0.376 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4ccnn4c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c1cccnc1 1806860766 QREWUDJIRNWJHJ-KSSFIOAISA-N 398.423 -0.057 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1830054102 DYGAMZZBGGSXGR-MRXNPFEDSA-N 387.458 -0.963 30 20 GBED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831208519 MMFPEQTUUABXMG-LIRRHRJNSA-N 377.441 -0.632 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1832460978 MUPDGBKRTNABAV-RDTXWAMCSA-N 399.513 -0.113 30 20 GBED CC[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674855 GPBLFJYQFZHOHV-HNAYVOBHSA-N 396.488 -0.504 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1nc(C)no1)CCO2 1836074828 BKEZVGDPECPXMM-SFHVURJKSA-N 376.413 -0.210 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838475349 JPFXVQOWMGAWDA-GOSISDBHSA-N 388.380 -0.206 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1839229107 ZGUMNHGPAIXDNF-DNVCBOLYSA-N 396.488 -0.195 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)C1 1839866565 FEMOTYOJJFKTDE-DNVCBOLYSA-N 377.441 -0.455 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840232926 KHHQKRJIQANNAG-UZLBHIALSA-N 391.468 -0.228 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1840844654 HFCQICNERZMCIH-GOSISDBHSA-N 375.429 -0.462 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844294966 VHYBNFDACCRHIE-OAHLLOKOSA-N 393.488 -0.878 30 20 GBED C=CCn1c(=O)/c(=C\c2cnn(CC)c2)s/c1=C(/C#N)C(=O)N1CCOCC1 264929454 OPPMDDXWCYOMNS-HCTQZPTISA-N 399.476 -0.326 30 20 GBED C#CCN(CC#N)CC(=O)N(CCOC)c1c(O)nc(=O)n(CCCC)c1N 281318843 JBJOBAGNIWDYNJ-UHFFFAOYSA-N 390.444 -0.231 30 20 GBED CC(C)(C(N)=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 290690493 CNLOEVDTYKQJED-UHFFFAOYSA-N 393.469 -0.755 30 20 GBED C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCN1CCO 331186296 IVNKZGGOZQIRFC-AWEZNQCLSA-N 380.470 -0.296 30 20 GBED CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)C(=O)[C@H]1C 349512919 WCFVAZLHFLMQMP-CHWSQXEVSA-N 394.519 -0.567 30 20 GBED CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCNC(=O)C1 349577696 AFSVELRMHZVEPH-AWEZNQCLSA-N 392.503 -0.860 30 20 GBED N#Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1Cl 372666873 QCOCLOKKSYWEJB-LLVKDONJSA-N 375.772 -0.681 30 20 GBED COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CCO1 377940206 LIVGEZXKDBXFCJ-LBPRGKRZSA-N 398.379 -0.132 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@H]4[C@H]5CC[C@@H](O5)[C@H]4C3)CC2)c1C#N 410752841 INRSJLFTMBQMOD-YYIAUSFCSA-N 398.467 -0.115 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](O)[C@H](N(C)CC(=O)O)C2)cc1 435698514 RNLMBUJOCWAIQF-HUUCEWRRSA-N 397.453 -0.647 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccc2CS(C)(=O)=O)C1=O 465045701 RZOATCFRHLIORO-UHFFFAOYSA-N 393.421 -0.176 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)C1=O 518568281 GZGKPEHXDNLAPM-LBPRGKRZSA-N 386.412 -0.093 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3COCCN3)CC2)cc1 529374935 PIGHORNJOGMXAK-OAHLLOKOSA-N 393.469 -0.437 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)O)c1 547928550 CRCQKLBEIHDUQD-RKNYENMMSA-N 386.451 -0.191 30 20 GBED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)C(C)C 559867889 RLVFNOXOGRXMCW-HUUCEWRRSA-N 386.518 -0.309 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCN4CCCC[C@@H]34)CC2)c1C#N 560029601 QZMIYRBKURLNPY-SJORKVTESA-N 399.499 -0.008 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CC(=O)N(C)C2)cc1 569940235 BVDGSFFBLOFLFX-NSHDSACASA-N 386.455 -0.313 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCN(C)[C@H](C)C3)CC2)c1C#N 574543074 RLWCQTVLXVUFCQ-UKRRQHHQSA-N 387.488 -0.152 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)cc1 575761478 BTEYFIREVNKUGC-GXFFZTMASA-N 386.455 -0.485 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC(=O)N[C@H]4CCCC[C@H]43)CC2)nc1 590981623 ZJMQCWQSVABCKR-JKSUJKDBSA-N 396.451 -0.129 30 20 GBED CC(C)[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1)C(N)=O 594626423 PCLQGLHNKBUBPZ-GXFFZTMASA-N 388.471 -0.335 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](CC(N)=O)C1 600677225 BNCTXFVBWDSBBZ-DGCLKSJQSA-N 380.426 -0.672 30 20 GBED C=CCNC(=O)NC(=O)CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1 610412338 DJDJMDBLGSWBFV-UHFFFAOYSA-N 390.469 -0.115 30 20 GBED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)N1CCS(=O)(=O)CC1 732909078 XSFCYGPKKDHZNJ-OCCSQVGLSA-N 393.421 -0.406 30 20 GBED CCOC(=O)C(=O)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 746278315 ZTNPIWLJNONROV-CCEZHUSRSA-N 378.385 -0.863 30 20 GBED COC(=O)C1(O)CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 770250688 JLPMFPXSNXVRQQ-UHFFFAOYSA-N 395.437 -0.358 30 20 GBED C=CCNC(=O)CNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 777514975 JOCJGGZHHJGRPI-UHFFFAOYSA-N 383.206 -0.689 30 20 GBED CN1CCC(N2CC[C@@H](NC(=O)C(=O)NCCNc3ncccc3C#N)C2)CC1 787756587 PQTXNPQKTMESHE-MRXNPFEDSA-N 399.499 -0.234 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)N(C)OC)CC2)c1=O 812293837 YKROJMFWHJENDN-UHFFFAOYSA-N 393.444 -0.767 30 20 GBED Cn1cnc2c1c(=O)n(CCCOC(=O)[C@](C)(C#N)CC(=O)O)c(=O)n2C 821310665 LMLTWFTXMBDPFW-INIZCTEOSA-N 377.357 -0.628 30 20 GBED C#CCNC(=O)CN1CCN([C@@H]2CCN(c3sccc3C(=O)O)C2=O)CC1 825620129 WVKJOQNPUWRFCY-CQSZACIVSA-N 390.465 -0.081 30 20 GBED N#C[C@@H]1CNC[C@@H]1NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 834517081 PWHBHZHONWHLBH-YCPHGPKFSA-N 378.454 -0.015 30 20 GBED CC(=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)c1cnn(C)n1 834959957 ZUDGIFKMJQPNJJ-UHFFFAOYSA-N 378.462 -0.018 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3c(n2)OCCO3)C[C@@H]1O 970701807 DHHNSQUIEKTNBE-RZFFKMDDSA-N 389.408 -0.255 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C(C)(C)C)nn2)C1 1024224957 LOFOWYUCVNWRNY-GBOPCIDUSA-N 377.445 -0.074 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2nc(O)c3cnn(C)c3n2)C[C@@H]1O 1044660481 GGSMLKJRFDYMKD-GHYVTOPFSA-N 388.428 -0.284 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(C(=O)OCC(C)C)CC1 1117634656 YJZOUJWTRJQADS-UHFFFAOYSA-N 389.474 -0.360 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCC4(CC3)OCCO4)CC2)cn1 1119012930 ZXLGEEMSSAUPGY-UHFFFAOYSA-N 385.424 -0.033 30 20 GBED C#CCCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)n1 1130213243 VRZZIAXVISRQFQ-BARDWOONSA-N 388.472 -0.179 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)C1=O 1256560253 NGYIQNLFCAGKBA-ZDUSSCGKSA-N 376.417 -0.845 30 20 GBED C#CCNC(=O)C1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 1256686487 XEMHTHGDFBXXLL-UHFFFAOYSA-N 383.408 -0.766 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NCc1ccn2ccnc2c1 1258383861 OPRIHIGHBQTCRX-NXVVXOECSA-N 382.380 -0.407 30 20 GBED C=CC[C@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)OCC 1320420419 ORTOPXOJUFJKJX-YPMHNXCESA-N 385.442 -0.224 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)CC1 1322544671 VNUHVRBRXRNTBE-IBGZPJMESA-N 391.472 -0.410 30 20 GBED CCOC(=O)C[C@H]1CCCN1C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1326598275 XAYKTYIJHKMYNQ-IUDBQGPFSA-N 392.412 -0.427 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)C1=O 1326818724 XOBUMAZRMDNAON-DOTOQJQBSA-N 392.500 -0.151 30 20 GBED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C(=O)N2CCC(CC#N)CC2)C1=O 1327242312 JAZBPMRXEWCSCC-ACJLOTCBSA-N 375.429 -0.025 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)nn1 1328105984 AMTDGAJLHDXGFY-UHFFFAOYSA-N 391.476 -0.907 30 20 GBED C=CCn1c(CCCN2CCCC2=O)nnc1N1CCO[C@H](C(=O)NC)C1 1351740329 GQSXZTUZAIRKMY-AWEZNQCLSA-N 376.461 -0.030 30 20 GBED CC[C@H]1COCCN1CCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1455478746 DKHWJZWTGXDVOH-ZDUSSCGKSA-N 380.470 -0.048 30 20 GBED N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2COCCO2)CCO1 1521122724 XRMXSZLLGBKVGB-ZIAGYGMSSA-N 376.417 -0.342 30 20 GBED C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](N)CC)[C@@H]1CCS(=O)(=O)C1 1574674437 YUWAUDCTXNIJBQ-MCIONIFRSA-N 394.501 -0.407 30 20 GBED N#Cc1ccc(N2CC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H](O)C2)nc1 1581870989 BQTZZWXJSHNTGN-GXTWGEPZSA-N 379.384 -0.169 30 20 GBED C#CCNC(=O)[C@H](C)N[C@H]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1588353334 OIRSLAAAQVGUGI-UBHSHLNASA-N 384.444 -0.037 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CNCc1cc(F)ccc1-c1nn[nH]n1 1588505290 OUEXFOZNRIZDNV-SUMWQHHRSA-N 378.408 -0.100 30 20 GBED C=CCNC(=O)CN[C@H](C)[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1588660111 WIBLILLIOBHYQX-BXUZGUMPSA-N 388.432 -0.684 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588665548 MRQPJTFRKLYMTP-DGCLKSJQSA-N 389.416 -0.257 30 20 GBED CN(C)S(=O)(=O)N(CC#N)CC(=O)NCc1cccc(-c2nn[nH]n2)c1 1591022624 DBFVZKWHADUUJO-UHFFFAOYSA-N 378.418 -0.885 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nc3)C[C@@H]2O)cn1 1602740024 USJDXXRRKKSRCC-CVEARBPZSA-N 376.380 -0.383 30 20 GBED C=C[C@@](C)(O)CC(=O)NC1(CO)CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 1602793732 OBROTGJZNNPLCX-MRXNPFEDSA-N 388.432 -0.569 30 20 GBED C=CCC[C@@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1602833350 KKYADSUDHORXKK-YPMHNXCESA-N 394.457 -0.023 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)NCCn2cc(C(=O)O)nn2)cc1 1602905153 UYJZIQCTRLNUAA-UHFFFAOYSA-N 379.398 -0.129 30 20 GBED C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@H]1CN(C)CCN1C 1610938835 YYJYOXFOPWYPTG-CZUORRHYSA-N 379.486 -0.413 30 20 GBED CS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1 1712711600 RIKKBLVYLJYCNS-LLVKDONJSA-N 378.418 -0.987 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777824868 AICQZMHXWVKLRE-IFXJQAMLSA-N 398.423 -0.394 30 20 GBED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1779176188 FIYWMLPIARRANM-UGSOOPFHSA-N 386.412 -0.662 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1781269630 DBSSOHXAHAIRNW-SFHVURJKSA-N 391.428 -0.383 30 20 GBED O=C1C[C@H](C(=O)N2CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CN1 1783162477 KXCQHUWVWAETRP-HOVJHJAMSA-N 391.472 -0.576 30 20 GBED O=C(C#Cc1ccc(Cl)cc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(O)O)C[C@@H]21 1783918520 HOKFCANUAIFBPB-BPUTZDHNSA-N 392.839 -0.018 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1784503698 HHXRYHCDTNWFOH-ABHRYQDASA-N 378.429 -0.567 30 20 GBED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1784537522 VKBHODZRCWGJBH-QNILMXGZSA-N 385.530 -0.357 30 20 GBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cc(C)c(O)nc1=O)CCO2 1785430075 PXXIRBUIPSMRHS-LJQANCHMSA-N 388.424 -0.499 30 20 GBED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1786366317 QZHAURIUHIXXAR-FGPLHTHASA-N 393.469 -0.318 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(Br)CC3)[C@H]2C1 1789933079 LCJVLYISMJXQFO-SRVKXCTJSA-N 399.241 -0.018 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nccn3)[C@H]2C1 1789968293 COTXLFQBPYIUCS-UGUYLWEFSA-N 375.429 -0.704 30 20 GBED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](COC)NC(C)=O)C3)C1 1792440871 BCLPFJZNSQNQHQ-YYIAUSFCSA-N 379.457 -0.307 30 20 GBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC(C)=O)OC(C)=O 1797790858 DOUIVCBYCTWCPK-KYHPRHEASA-N 394.424 -0.516 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2 1799391824 QKOVKALJZXSRAR-HAFSJTIUSA-N 380.445 -0.345 30 20 GBED COC(OC)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812872611 GGGKOAQENFMIMN-XJKSGUPXSA-N 375.381 -0.206 30 20 GBED CS(=O)(=O)CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1814327521 GTRRRANJIWYBJI-MRVPVSSYSA-N 385.423 -0.812 30 20 GBED N#CCCC(=O)N[C@H]1CCc2nc(NC(=O)CC[C@@H](N)C(N)=O)sc2C1 1815056731 QHUVADVLALZWNN-VHSXEESVSA-N 378.458 -0.048 30 20 GBED Cn1nncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1833239037 NMOJYCCBVLSDRA-SFHVURJKSA-N 388.428 -0.421 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)C1 1835392729 HOVBVCRBLBXMHF-HXUWFJFHSA-N 393.484 -0.259 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1840043001 BDQWERLGGJNCND-IBGZPJMESA-N 387.392 -0.832 30 20 GBED Cn1c(=O)c2c(ncn2CCC(=O)[C@@H](C#N)C(=O)Nc2ccccn2)n(C)c1=O 138938828 XWFQWZBNVZZOLA-LLVKDONJSA-N 395.379 -0.434 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)C1=O 263795684 NBHKVGXDWSTSQG-JTQLQIEISA-N 376.335 -0.036 30 20 GBED CCCn1c(=O)/c(=C/c2cnn(C)c2)s/c1=C(/C#N)C(=O)N1CCOCC1 297692085 WYTQMUDMNHMJQE-SOUBVSJWSA-N 387.465 -0.585 30 20 GBED C/N=C(/O)C1(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)CC1 329158985 XGIHHIPKULAPJS-STQMWFEESA-N 388.490 -0.149 30 20 GBED CN1CCO[C@H](C/N=C(/O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 329530898 WAPXFFIOQSMTNV-CABCVRRESA-N 390.506 -0.643 30 20 GBED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 349593701 SKSIPIIGGRYIMM-STQMWFEESA-N 392.503 -0.718 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCc1ccc(S(N)(=O)=O)s1 409552644 LLJDTWJYYRQDHX-UHFFFAOYSA-N 382.489 -0.408 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@@H](C)[C@H](CN)C1 423544024 NUXOIAJDJXDOPB-QLFBSQMISA-N 385.472 -0.171 30 20 GBED CCOc1ccc(C#N)cc1NC(=O)C(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 446514117 IZUDIWZHOASPNZ-ZDUSSCGKSA-N 395.437 -0.097 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)nn1CCC#N 447361193 WIPIHKGFPZRTLS-CYBMUJFWSA-N 381.458 0.469 30 20 GBED N#CCNC(=O)CNC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 511915548 HMSLMVBZEJKKTR-UHFFFAOYSA-N 379.851 -0.381 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)Cn3c(-c4cnccn4)noc3=O)CC2)o1 522392182 UQYCKKXMUOVJJA-UHFFFAOYSA-N 396.367 -0.190 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)cc1 535786800 UPCFKKJGERAPDK-CYBMUJFWSA-N 388.467 -0.306 30 20 GBED N#CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 561397793 ZZSQKWZFPOJRNQ-UHFFFAOYSA-N 382.417 -0.018 30 20 GBED CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 579503263 JSTKZOVOGMVUPW-OAHLLOKOSA-N 397.439 0.330 30 20 GBED CC(C)(C#N)CNS(=O)(=O)CCCS(=O)(=O)N1CCn2nccc21 594637505 XGCZRHXRRUWYQO-UHFFFAOYSA-N 375.476 -0.108 30 20 GBED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H]2CCOC2)CC1 669058835 DOKPMYMZSRADNZ-UONOGXRCSA-N 384.506 -0.015 30 20 GBED CNS(=O)(=O)c1c[nH]c(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)c1 782791092 FHRKYZONIQKGGB-UHFFFAOYSA-N 376.354 -0.100 30 20 GBED C=CCS(=O)(=O)CCNC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 783012903 JIWQSGDSXAWQNU-NSHDSACASA-N 396.512 -0.217 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 785165706 WXYSGGSMOSPHQF-UHFFFAOYSA-N 383.426 -0.350 30 20 GBED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NCCn2cnc(C#N)n2)C1=O 803554594 QDJICYCWVBSXEU-SFHVURJKSA-N 397.395 -0.258 30 20 GBED C=CCC(F)(F)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 815646114 ALBJWIMUKQEFHB-GFCCVEGCSA-N 379.429 -0.355 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cncn1 960989609 MMAOEYNPVQUOPD-MPTYRVRUSA-N 375.429 -0.303 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2c(O)nnc2O)nc1 999027685 FNJRKDHTNZHFIT-XBFCOCLRSA-N 382.380 -0.373 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@H]1O 1023939592 HNXQJIVMAIUZOX-XNISGKROSA-N 390.440 -0.593 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1O 1023959067 XLNLKDFVLHUDEO-VQHPVUNQSA-N 381.473 -0.622 30 20 GBED Cn1c(=O)ccn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)cn2)c1=O 1055235587 UFOJFURXPNTFST-ILXRZTDVSA-N 380.408 -0.260 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O 1118639180 NCLUCEUQAGUMMQ-UGSOOPFHSA-N 378.429 -0.679 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O 1323505858 XITIMUYFMUEWPP-BZIRYSOJSA-N 392.456 -0.080 30 20 GBED COc1cc(C#N)ccc1NC(=O)C(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 1326016771 VBFPQDKVFNWEJK-GFCCVEGCSA-N 381.410 -0.487 30 20 GBED N#CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 1333365975 VNYNMMFGFHELJL-HNNXBMFYSA-N 389.456 -0.568 30 20 GBED C#CCN1CCC[C@H]1c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C 1338106840 ISUVHRGQFQZBIR-INIZCTEOSA-N 399.499 -0.144 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 1346262436 HEZJFKJASATSPD-CABCVRRESA-N 387.502 -0.081 30 20 GBED C[C@@H](N)CN(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1351686225 WWZRKQZICIAORZ-CYBMUJFWSA-N 393.469 -0.803 30 20 GBED CCN1CCN(CC(C)(C)NC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1570410212 UFPPUVAHOGNRQA-UHFFFAOYSA-N 376.461 -0.257 30 20 GBED N#Cc1nc(N[C@H]2CCCN(CCN3CCOCC3)C2)cnc1-c1nn[nH]n1 1571245554 JWEKCXWJJXRDJP-ZDUSSCGKSA-N 384.448 -0.263 30 20 GBED C#CCCCCn1c([C@@H]2CCCNC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1574545048 MEZOOPJQFLTLGY-HZPDHXFCSA-N 399.499 -0.304 30 20 GBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CCNC(=O)C1CCN(Cc2cnn[nH]2)CC1 1575005115 VBXFBWJJMQLIHH-LSDHHAIUSA-N 389.504 -0.361 30 20 GBED C#CCOCCC(=O)N1CC[C@@]2(CN(C(=O)CCCc3cnn[nH]3)CCO2)C1 1575013492 PUQHNHFLDGZWRO-IBGZPJMESA-N 389.456 -0.003 30 20 GBED Cc1cc(=NC[C@H](O)CN(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)c(C#N)c[nH]1 1581015919 WVGUOGKQCPMTJG-LBPRGKRZSA-N 381.400 -0.263 30 20 GBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)cn1 1581871308 PJEVUPIEVREQTE-HIFRSBDPSA-N 379.384 -0.169 30 20 GBED N#Cc1cn(CCC(=O)N2CC[C@@H](OCCN3CCCC3)C2)c(=O)nc1O 1588256027 IOFGBNGHPXVJNR-OAHLLOKOSA-N 375.429 -0.076 30 20 GBED C#CCNC(=O)CN[C@H](C)[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588354593 QXBIODFSIDCMJH-CHWSQXEVSA-N 384.444 -0.226 30 20 GBED N#C[C@]12CN(C(=O)c3ccc(-c4nn[nH]n4)c(Cl)n3)C[C@H]1CS(=O)(=O)C2 1592681344 RWGRONNLJSXWPB-RMLUDKJBSA-N 393.816 -0.075 30 20 GBED N#Cc1nccc(N2CCOC[C@H]2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 1592708621 DMXIMUBGNMFILY-LLVKDONJSA-N 380.372 -0.508 30 20 GBED Cc1ccc(C(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)cc1S(=O)(=O)NCC#N 1600331790 DELRIUUMRJOHBB-QWHCGFSZSA-N 381.410 -0.296 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[nH]n3)C[C@H]2O)nn1 1602882316 HUOQNFFRRYAMJG-DGCLKSJQSA-N 382.388 -0.981 30 20 GBED C#CCNC(=O)CN1CCN(CCCNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 1752348439 DTGVTTBSWOLHCE-JENIJYKNSA-N 376.501 -0.325 30 20 GBED CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CCC#N)C(=O)O)cc1C 1777099252 KSUFGCKWHGJJIA-LLVKDONJSA-N 375.428 -0.062 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1778778761 BLUYANHAGQPCIF-SJCJKPOMSA-N 382.417 -0.569 30 20 GBED CN1C(=O)CC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1781368724 GJVZYQCFXLDOPQ-HNAYVOBHSA-N 385.424 -0.049 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)nn1C)C2 1793340886 PTMLLOWEPGYKPC-ZJOBFFGXSA-N 390.440 -0.330 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1793360556 TXCCUNJILMFBCG-SVZOTFJBSA-N 379.457 -0.307 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)c1cccnc1 1794227607 ICDCYPSUCCLUJC-QDMKHBRRSA-N 384.392 -0.462 30 20 GBED CN(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797811874 SWHQTPKOTXHQSS-GGMLEPMZSA-N 382.461 -0.333 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS[C@@H]1CCCCO1)C2 1800777312 PKBVZLKYSKTSOC-JGTCGTHISA-N 396.465 -0.076 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4nccn4)C3)C2)C1 1829670539 BAIKTZMPUXRMSL-GOSISDBHSA-N 375.429 -0.299 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835850147 UIJGCRAJEKTXNS-SCLBCKFNSA-N 394.428 -0.224 30 20 GBED C[C@@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837442147 QBNMPBWGNIQJNY-WKWJGNFBSA-N 395.504 -0.491 30 20 GBED C=CCOCCCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039948 KMCKOWDPKOCVPH-LJQANCHMSA-N 394.424 -0.486 30 20 GBED Cc1nscc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041243 ZUOPSTNVHXACBM-KRWDZBQOSA-N 393.421 -0.390 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1840166885 JPLUEJLJQWGGCP-SFHVURJKSA-N 375.429 -0.311 30 20 GBED C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CCS(=O)(=O)CC2)C1 1847223584 SPGZDFAFWNIHRK-HOTGVXAUSA-N 381.498 -0.115 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCS(=O)(=O)N(C)C 290286498 CTCKYIICPFUIJG-UHFFFAOYSA-N 398.441 -0.470 30 20 GBED C[C@H](/C(O)=N/C1CCCC1)N1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 329016295 QNLAAVVDPNPOPE-CQSZACIVSA-N 391.472 -0.021 30 20 GBED CN1C(=O)[C@]2(CCN(/C(O)=N/C[C@H](N3CCOCC3)C(F)(F)F)C2)N=C1O 329295363 KBPXBAYXBSQVNO-IINYFYTJSA-N 393.366 -0.006 30 20 GBED C[C@@H]1CN(C(=O)C/N=C(/O)c2cccc(S(=O)(=O)N(C)C)c2)C[C@@H](CO)O1 331010966 ZMFMDEPRRKKCDQ-OCCSQVGLSA-N 399.469 -0.150 30 20 GBED C[C@H]1[C@H](C)[S@@](=O)CCN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N 349481255 OEWOCYXOEMSXQC-BSAWIPCISA-N 399.560 -0.279 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3COCCO3)CC2)c(F)c1 551526169 FBMHYHGHKPVGOO-CQSZACIVSA-N 376.388 -0.122 30 20 GBED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 555249270 JAZJKBLIQUEDCH-HNNXBMFYSA-N 381.440 -0.013 30 20 GBED CN(C)S(=O)(=O)N(C)CC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 568031031 LXGZKKNEOXXEMR-HNNXBMFYSA-N 393.469 -0.092 30 20 GBED CC[C@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N 583945572 ZXWLQBKKBJHSEA-NSHDSACASA-N 380.492 -0.862 30 20 GBED C=CCOC[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)OC 589509586 ZULDZTBIDLLXSN-CQSZACIVSA-N 381.410 -0.303 30 20 GBED CCNC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC#N)cc1 594626210 BUOHNSVZZDIWFA-UHFFFAOYSA-N 388.471 -0.365 30 20 GBED N#CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 609541665 CKBJHDAWPFUWHK-UHFFFAOYSA-N 390.443 -0.682 30 20 GBED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 783413295 HDSGBZNJPJQHPV-NSHDSACASA-N 384.389 -0.054 30 20 GBED Cn1cc(CN2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)cn1 787775251 CCGOSYCJUHUSGJ-UHFFFAOYSA-N 396.455 -0.441 30 20 GBED COC(=O)[C@@H]1[C@H]2CN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)C[C@H]21 815705386 IYJFOPUYGVUADI-HBYGRHMLSA-N 380.364 -0.045 30 20 GBED O=C(N[C@@H]1CCCN(O)C1=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 816758905 ABQZUVOJVKAJJR-LLVKDONJSA-N 388.471 -0.138 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 893293203 FLPGDVVQPZIHTN-GJKBLCTNSA-N 375.381 -0.263 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc3nccnc3c2)C1 967283732 MUIFGTUELCUXOV-OJLVUWQFSA-N 383.408 -0.083 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccoc2CC(N)=O)C1 970130075 BOFFLCQBGYLLND-KBXIAJHMSA-N 391.424 -0.410 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nonc2C)C[C@@H]1n1ccnn1 990964095 YIOMJQFYUUDNIV-MQYQWHSLSA-N 387.400 -0.257 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)nc1 1006255106 JNPDIBNXQCDFJX-FMPTWSOUSA-N 382.420 -0.043 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccnc2C(N)=O)C[C@H]1O 1023960351 GUYBOMPTWDXZMT-NGFQHRJXSA-N 388.424 -0.537 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C[C@H]2O)nc1 1024926767 PAMQRDXFTZGYAO-GZOSKZMVSA-N 379.420 -0.098 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@]1(C)CNC(=O)C1 1110841269 ZDEUHCHOEQKVBS-ZIVKBKJYSA-N 377.445 -0.754 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N[C@H]1COc2ccccc2C1 1117060327 WFXCUPXVIQMLSU-VLUKHXRESA-N 384.392 -0.251 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1 1321608569 ZQSWUVWYAGZZGG-CJNGLKHVSA-N 393.444 -0.318 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N(C)CC(=O)N1CCCC1 1330420360 UOOOKKHLOGAFJN-CQSZACIVSA-N 399.455 -0.534 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCC[C@@H]3O)CC2)CCN1C1CC1 1332617842 TXQZGFHIFKQLEC-SQNIBIBYSA-N 389.500 -0.321 30 20 GBED COCCO[C@@H]1CCCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1342101525 VMYKYUIFMPJILJ-UWZWCOGJSA-N 394.428 -0.717 30 20 GBED C=CCN(C(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C1CC1 1344969980 JSGABUUNTLTDFU-OAHLLOKOSA-N 385.486 -0.184 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2COCCN2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1574936928 PYBXJLPAHZRVMR-ILXRZTDVSA-N 394.476 -0.519 30 20 GBED COCCN(CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1nccnc1C#N 1579802796 UYXGTINRWWXCAR-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED CC(C)C(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1598150875 VTUGKHRHVKMVBO-CQSZACIVSA-N 389.460 -0.099 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)CC1 1602718545 XNCKKVLOXAZZFP-UKRRQHHQSA-N 395.471 -0.057 30 20 GBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1602791718 AGQRHILNWFTVQR-MRXNPFEDSA-N 377.405 -0.927 30 20 GBED Cc1nsc(N2CCN(S(=O)(=O)N(C)CCC#N)CC2)c1-c1nn[nH]n1 1609464924 IUFLFBMPCOWKKE-UHFFFAOYSA-N 397.490 -0.156 30 20 GBED N#CCC1(O)CN(C(=O)CS(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)C1 1609494681 KHPGVYHKXHVPGJ-UHFFFAOYSA-N 376.398 -0.732 30 20 GBED Cn1cc(S(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(O)nc1=O 1662241117 PRCOYLFGPHAQGN-LLVKDONJSA-N 377.382 -0.405 30 20 GBED CC(=NNCCS(N)(=O)=O)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 1776046813 JGUDZOHZMGBEGS-UHFFFAOYSA-N 392.459 -0.958 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778357274 QZXMFDLRBOTPFS-HXUWFJFHSA-N 390.484 -0.606 30 20 GBED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)Cn1cncn1)CCO2 1779016876 RKKIRMXQMQNQFB-SVYXSEEQSA-N 389.460 -0.420 30 20 GBED COC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1784260686 XSLZANLXJYRFAX-TYJAPOHBSA-N 395.460 -0.356 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784592564 PGIWJLLWEKXFPJ-XJKSGUPXSA-N 380.474 -0.017 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(C)(C)O)[C@H]2C1 1786649118 ZATQPNIIYBONFS-FCLICNRPSA-N 393.484 -0.015 30 20 GBED COCc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1 1791076647 BYBAZGZJNLDJQA-DZKIICNBSA-N 389.408 -0.158 30 20 GBED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2 1792835587 YHVNTZBFQOGDDN-YWVIFJGQSA-N 378.812 -0.408 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(F)(F)C(=O)O 1796348578 KDDOUYLNLPHAJU-FMSGJZPZSA-N 388.367 -0.276 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1 1797624691 KEEGWKIZHZEULL-DRXBFXEBSA-N 394.501 -0.172 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(C)=O)C2 1799307013 VJYLWESDSMLOPK-XOIINTDNSA-N 381.429 -0.779 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnn1C)C2 1799389940 BOXADQNEJLCKGK-GUIRCDHDSA-N 378.433 -0.181 30 20 GBED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1 1807144099 VRNVYMMSMKXVCP-HUUCEWRRSA-N 389.456 -0.320 30 20 GBED N#CCC(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810351128 WMCNIOOOYSEWFC-SZVBFZGTSA-N 387.440 -0.348 30 20 GBED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819673416 VZPBFNPNIPZHJF-ZETCQYMHSA-N 375.366 -0.981 30 20 GBED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1829855467 BLJGYRKBVUZCPA-MAUKXSAKSA-N 380.445 -0.339 30 20 GBED CC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1830520872 HDYICIGYQUZQNQ-QZAHWVOCSA-N 393.440 -0.074 30 20 GBED CC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1834715994 HMTKDYHEAMNSRR-ABQTWSPHSA-N 377.397 -0.256 30 20 GBED CC[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674856 GPBLFJYQFZHOHV-KXBFYZLASA-N 396.488 -0.504 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C(O)O)CC2)CC1 1835713977 GFCVBEJQQFRXLO-OAHLLOKOSA-N 383.489 -0.558 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836417787 MIZOWSBGHXWLTM-QGZVFWFLSA-N 376.369 -0.524 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837254159 UNPXSRWSNPWWRV-WQEAVSRRSA-N 397.497 -0.404 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)=O)C2)C1 1839174077 DMRRECHRQMXYQD-SFHVURJKSA-N 382.413 -0.459 30 20 GBED Cc1noc(N)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840159523 GQXJHQCKOBEPKF-ZBEGNZNMSA-N 384.458 -0.046 30 20 GBED Cn1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)n1 1840813141 HABPOUFJQOZFHF-GOSISDBHSA-N 388.428 -0.421 30 20 GBED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(N)=O)CCO2 1840918031 CCSXLDPSQLTWLW-SFHVURJKSA-N 398.460 -0.906 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)NC(=O)OCC)C1 1844159001 DLVCOSSELQGHCN-CQSZACIVSA-N 397.428 -0.236 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1 139200542 IEETUMWFDXYDTD-AWEZNQCLSA-N 399.494 -0.248 30 20 GBED CC/N=C(/NC[C@@H]1CN(C)CCN1C)N1CCN(C(=O)[C@H]2CCCO2)CC1 262772191 JCULUIPKQKVRCY-IAGOWNOFSA-N 380.537 -0.479 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)nn1CCC#N 271036801 QKVVBPYWTZVZFU-UHFFFAOYSA-N 389.460 -0.288 30 20 GBED COCCN(CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CCS(=O)(=O)C1 290075715 WIMLSXXTXSFESU-AWEZNQCLSA-N 387.483 -0.138 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 290129304 SYTBHZITWLGSKP-CZUORRHYSA-N 389.408 -0.698 30 20 GBED CCN1CCC[C@@H]1CN/C(N)=N/CCS(=O)(=O)NC[C@@H]1CCCCO1 304762244 VKXQRNSEYGVQIT-CABCVRRESA-N 375.539 -0.137 30 20 GBED CC/N=C(/O)N1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 329306543 XYJHOOBICFONTQ-OLZOCXBDSA-N 386.474 -0.900 30 20 GBED O=C(CC/N=C(/O)N1CCS(=O)(=O)CC1)N1CCN(c2ccccn2)CC1 329848815 ZBRRWOCPLWLXMO-UHFFFAOYSA-N 395.485 -0.235 30 20 GBED C[C@@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 349477768 QUNNBLSVQYORNA-JTQLQIEISA-N 379.464 -0.934 30 20 GBED CO[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@H]2C#N)C1 349499178 DAHLTFGCFNGIMF-OLZOCXBDSA-N 397.544 -0.302 30 20 GBED CNS(=O)(=O)C1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 378434210 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N#Cc1ccc(S(=O)(=O)CCNCCNS(=O)(=O)Cc2ccon2)nc1 566109547 AFAUMOKYKLBWSD-UHFFFAOYSA-N 399.454 -0.576 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)C[S@](C)=O 570741054 UDEWZOROPPKUIE-UTSGRSJNSA-N 393.512 -0.078 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2COCCO2)cc1 583882738 QVHRKVMJDDYIHJ-NSHDSACASA-N 375.428 -0.818 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3CCO[C@@H](C(=O)O)C3)CC2)c1C#N 591568335 RJHRPKPNPZXGJA-GFCCVEGCSA-N 393.425 -0.716 30 20 GBED CCNC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 594626503 XNRXAPMBXUJYOK-UHFFFAOYSA-N 399.454 -0.861 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC[S@@](C)=O)CC2)cc1 741140862 NCJJDUVPONKUEI-RUZDIDTESA-N 397.522 -0.266 30 20 GBED CCOCCCNC(=O)[C@H](C#N)C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744024497 YPZGFHDLFRWZNI-BTAUDXDXSA-N 391.424 -0.209 30 20 GBED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 785211180 KEBZJORXPJYSTQ-RYUDHWBXSA-N 385.380 -0.915 30 20 GBED CC(=NNC1=NC(=O)C(=O)N1)c1cnn(-c2ccc(-c3nn[nH]n3)cc2)c1C 823953734 NTGBFFCRWOXKJE-UHFFFAOYSA-N 378.356 -0.313 30 20 GBED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN(CC#N)CC(=O)O)C2=O)cc1 832265838 SZQUZWYHICCHNN-QGZVFWFLSA-N 389.368 -0.596 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](OC(=O)N(C)C)C2)c1=O 840107114 WFVAZTCYZVSQLD-ZDUSSCGKSA-N 379.417 -0.726 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)Cc3cn(CC)nn3)C[C@@H]21 960976765 ARIGWEJOPADIBS-LTIDMASMSA-N 389.456 -0.130 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(C)c2OC)C[C@@H]1O 964477346 WCRUNILYJGBTRT-ATGSNQNLSA-N 378.429 -0.289 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2cn(CC)nn2)C1 969643566 VLFPWMAMNAKEAQ-DFGXFYAUSA-N 391.472 -0.100 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)co2)C1 1025669531 WSKSYVDKTFAGMU-JLNYLFASSA-N 377.397 -0.339 30 20 GBED C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1065153093 QFVOKOOABDMGOG-NBOOPKSLSA-N 380.441 -0.579 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)Nc2ccnn2CCC)C[C@H]1O 1077699127 ROTFOZHYEGRIML-FPCVCCKLSA-N 391.472 -0.016 30 20 GBED N#Cc1ccc(CN2C[C@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)c(F)c1 1083775639 BKWSJTAGLMKLHR-FXUDXRNXSA-N 376.388 -0.608 30 20 GBED N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)N3CCNC(=O)C3)CC2)c1 1117823006 STZWBMRHMGWNBK-UHFFFAOYSA-N 383.408 -0.306 30 20 GBED N#Cc1cn(CCC(=O)NC[C@@H](O)COc2ccc(F)cc2)c(=O)nc1O 1137402745 RJWYIQOXHQDVSC-CYBMUJFWSA-N 376.344 -0.094 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1185495628 IZVXSKMOGWVDAV-CYBMUJFWSA-N 399.517 -0.099 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCCCN2CCN(C)CC2)C1=O 1321752619 QLXBDDVVCOYFNI-MRXNPFEDSA-N 379.505 -0.625 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1 1325147799 XGUHGXBCTLMJPF-AWEZNQCLSA-N 382.438 -0.061 30 20 GBED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)CN(C)C)cc1 1332596427 QHDACRGIVIHLSD-YVEFUNNKSA-N 396.469 -0.260 30 20 GBED CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)NCc2cc(C#N)ccc2F)C1 1333951428 YAOWWFJGKXNAPC-LBPRGKRZSA-N 382.417 -0.289 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1342099733 PUANZMFKWIGHNY-DHGBBHQJSA-N 376.413 -0.274 30 20 GBED C=CCCC(=O)N1CCN(C(=O)CCCc2cnn[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 1575085045 DLCLSLVWYVQCDZ-CABCVRRESA-N 395.485 -0.070 30 20 GBED C#CCNC(=O)CNC1(CC)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1588354203 IAHVKBXLBAJOIZ-UHFFFAOYSA-N 384.444 -0.081 30 20 GBED C#CCOCCC(=O)N[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2F)C[C@@H]1O 1588362504 HCYAQONGGPFOGA-OLZOCXBDSA-N 375.364 -0.894 30 20 GBED C#Cc1cncc(C(=O)NC[C@H]2COCCN2c2nccnc2-c2nn[nH]n2)c1 1588380401 DOSAUHCDHMBLDK-AWEZNQCLSA-N 391.395 -0.332 30 20 GBED CN(C[C@@H](O)CN(C)c1ncccc1-c1nn[nH]n1)C(=O)CSCC#N 1591046144 JJFOCLXKWYIIBV-LLVKDONJSA-N 376.446 -0.226 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)O)C2)C1 1603130057 QHHRHDLYUWNDGD-ATWGWHJKSA-N 393.487 -0.277 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](CO)CN1CCCC1 1628964521 OSYBAXCBOFHXNH-ZFWWWQNUSA-N 380.470 -0.202 30 20 GBED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778358799 MVCFTSSDIOEHDS-IBGZPJMESA-N 378.473 -0.444 30 20 GBED C[C@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019202 NITGNZDCQDCIDV-WLJAYZHCSA-N 379.461 -0.578 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CNC(=O)C2)C1 1781774568 OZUMHBRLVYKNRQ-UIVXKWKOSA-N 391.468 -0.325 30 20 GBED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2 1793317271 AHJLIYAMPLWVAA-RXGFPQBGSA-N 393.531 -0.778 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCN(C)C1)C2 1793344476 APZOMPIAWYKJCN-RZFLPCETSA-N 377.485 -0.044 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CC(=O)NC2=O)c1 1794086603 JNSKZCOTRNZZJD-CLLJXQQHSA-N 384.396 -0.310 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1831425287 SJFQHEGCQMCOJG-QFBILLFUSA-N 392.456 -0.069 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1832454454 OOAFMVWSNLFKHN-KRWDZBQOSA-N 395.485 -0.196 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833840332 NUJYIWHPSARFGK-GUYCJALGSA-N 397.501 -0.161 30 20 GBED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835344595 MALDOUXCGKNWMT-LIRRHRJNSA-N 390.440 -0.563 30 20 GBED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835567785 LZUOTDIPQBSDEU-LJQANCHMSA-N 393.488 -0.306 30 20 GBED CNC(=S)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1837464239 NHLGVJLMIHWXAY-KRWDZBQOSA-N 397.501 -0.769 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1839840986 PFGQVVCMNPAHAR-ZRGWGRIASA-N 379.457 -0.066 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839862085 RQQDHVHQBXYFNY-RDTXWAMCSA-N 383.445 -0.701 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839882868 BOCDIIHWNYTXPM-BEFAXECRSA-N 395.456 -0.993 30 20 GBED CSCC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840164495 LSGVDHUXVRAEJX-XEZPLFJOSA-N 392.543 -0.125 30 20 GBED CN1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 267509652 PTINVBKTWRCQGC-CQSZACIVSA-N 391.453 -0.195 30 20 GBED CN(CCCNC(=O)CO/N=C(\N)c1ccc2c(c1)CCO2)S(C)(=O)=O 269870773 MSCNFOITNGCFPC-UHFFFAOYSA-N 384.458 -0.344 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 272940313 IMBQORZOSIUXND-UHFFFAOYSA-N 381.458 -0.387 30 20 GBED CC(C)NC(=O)/C(C#N)=c1/s/c(=C\c2cnn(CC(F)F)c2)c(=O)n1C 292367987 GHBCDPYTOCIVBX-QCRGVSCGSA-N 381.408 -0.064 30 20 GBED CN1CCC[C@@H]1C(=O)N1CCN(/C(O)=N/C[C@H]2CCCS(=O)(=O)C2)CC1 329718767 ZJCBGFLASMFBMC-HUUCEWRRSA-N 386.518 -0.036 30 20 GBED CC(C)C/N=C(/O)NC(=O)[C@H](C)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 330643669 RWFDZQZLNZTQTR-ZDUSSCGKSA-N 395.460 -0.646 30 20 GBED CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)[C@H]31 349480007 MERAQMWJGKOIKW-BTFPBAQTSA-N 391.515 -0.153 30 20 GBED C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 349484356 YIYWCKWQCJWFFD-SAHAZLINSA-N 393.512 -0.124 30 20 GBED CCn1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)ccc1=O 349505183 RNVRYKOWEVYMPF-UHFFFAOYSA-N 388.471 -0.215 30 20 GBED N#CCN1CCC(CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 464802317 NPRSCUFYTRWWGK-QGZVFWFLSA-N 377.489 -0.481 30 20 GBED COCCNS(=O)(=O)c1c[nH]c(C(=O)NCC2CCN(CC#N)CC2)c1 464971671 JQGYWOBRDADFGS-UHFFFAOYSA-N 383.474 -0.095 30 20 GBED CNC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 468051381 GGBRJTYGEWAAMW-LBPRGKRZSA-N 382.384 -0.393 30 20 GBED COCCCNC(=O)CN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 481132793 CCXXPDDLRKZXBN-ZDUSSCGKSA-N 396.469 -0.164 30 20 GBED CN1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 498848896 FSXBSNWRSUXLRI-JKSUJKDBSA-N 397.435 -0.093 30 20 GBED COCCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 520429470 POUMSDWAJYQZNT-UHFFFAOYSA-N 391.471 -0.540 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCN4CCCC[C@@H]34)CC2)c1C#N 560029599 QZMIYRBKURLNPY-IRXDYDNUSA-N 399.499 -0.008 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 563892917 DUWXGDCEUDKKIG-KBPBESRZSA-N 387.444 -0.476 30 20 GBED CCn1ncc(C#N)c1NS(=O)(=O)c1ccc(S(=O)(=O)NCCO)cc1 572735640 BNGHJYZYXYQEKI-UHFFFAOYSA-N 399.454 -0.154 30 20 GBED CN(C1CC(O)C1)S(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 575195131 CQUPNNOIEWIQQF-UHFFFAOYSA-N 398.466 -0.132 30 20 GBED COc1ccc(CNS(=O)(=O)N(C)[C@H](C)CC#N)cc1S(N)(=O)=O 576021838 IYVBYHKXVNNWSJ-SNVBAGLBSA-N 376.460 -0.089 30 20 GBED C[C@@H](CO)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 579612116 YUIKHGZVBXXRCQ-LBPRGKRZSA-N 386.455 -0.274 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1)c1ncnn1C 581083085 UAQKRWZWUMQJSB-LLVKDONJSA-N 398.470 -0.001 30 20 GBED CN(C)S(=O)(=O)N1CCCC[C@H]1CNc1c(C#N)c(=O)n(C)c(=O)n1C 588857365 BFMAAFKFXVZYLA-NSHDSACASA-N 384.462 -0.972 30 20 GBED COCCc1ccc(OC[C@H](O)CNc2c(C#N)c(=O)n(C)c(=O)n2C)cc1 596311662 PBWOXKZXYXYKOV-CQSZACIVSA-N 388.424 -0.004 30 20 GBED CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 597402330 QHNYADHCNVBOSN-OAHLLOKOSA-N 387.488 -0.151 30 20 GBED C=CCn1c([C@H]2CCO[C@@H]2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 647370578 ZHNLPDWGWJMZGX-KGLIPLIRSA-N 387.448 -0.308 30 20 GBED C=CCN(C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@@H](C)COC 658371154 HMRRZFZOZIAGIC-NSHDSACASA-N 389.412 -0.380 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)c1 804059888 KRQMMQLGKDEECN-DLBZAZTESA-N 398.467 -0.419 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1cn(CC(=O)O)nn1 820148629 QIMGUPNMJBEQDN-SNVBAGLBSA-N 393.381 -0.355 30 20 GBED CN(C)CC#CCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 823674782 AAGFJJAJJRKXCK-UHFFFAOYSA-N 378.454 -0.898 30 20 GBED Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)Nc1cccc(C#N)c1)c(=O)n2C 825375042 FYCAMKUGTASGPH-UHFFFAOYSA-N 396.363 -0.513 30 20 GBED C=CCCn1cc(CN2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)nn1 846965239 QIHXEZPVCYLBFI-UHFFFAOYSA-N 376.508 -0.056 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1NCCO 857303367 RKXZAFPQPPCUGK-GFCCVEGCSA-N 397.453 -0.364 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C)c2)CC1 872515972 ZKIHTWVPOIJXPN-UHFFFAOYSA-N 375.447 -0.092 30 20 GBED Cn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2c[nH]c(C#N)c2)c(O)nc1=O 1002142213 DYLKVOHOZDPYAY-BNOWGMLFSA-N 382.380 -0.139 30 20 GBED Cc1ccc(C#N)c(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2cnc(C(N)=O)n2)n1 1055461832 VQKWGAAPAUIVSG-MCIONIFRSA-N 380.412 -0.122 30 20 GBED N#Cc1ccccc1CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1070027580 ODVKKMIYQHOROI-TWMKSMIVSA-N 379.424 -0.187 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCc2nnn(C)n2)[C@H](c2cnn(C)c2)C1 1086998114 TZFYVKFOOYZDEK-QXSJWSMHSA-N 386.460 -0.381 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCCOCCOC)C1 1130009268 GDYVDJLQYMBTKB-NCOADZHNSA-N 379.461 -0.126 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)CCO1 1321577718 IFLMAJZLLZUFKM-GOSISDBHSA-N 385.468 -0.329 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCC(=O)N3CCCC3)C2=O)cc1 1327079253 WSXMPKNZCDOVQB-MRXNPFEDSA-N 397.435 -0.486 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)CCN1C1CC1 1351849902 VJUNWGQXJCQYBG-WBVHZDCISA-N 387.484 -0.050 30 20 GBED C=CCSCCn1nnnc1N1CCN(S(=O)(=O)NC(C)C)CC1 1355442638 WFWALNPESFMYNR-UHFFFAOYSA-N 375.524 -0.043 30 20 GBED C=CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1519552203 SDNJIECYAYOKKO-CHWSQXEVSA-N 382.490 -0.072 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1nnc2n1CCNC2=O 1581856147 UUMYOQPDTVHEPJ-LBPRGKRZSA-N 392.383 -0.800 30 20 GBED C#CCNC(=O)CN1CCCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC1 1588354112 FVUSENDJAIUWLV-UHFFFAOYSA-N 399.415 -0.381 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@H]1O 1588443566 UCYNCFNBKJEZGF-SFTQSGBHSA-N 386.416 -0.696 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Oc2ccc(-c3nn[nH]n3)cc2OC)C1=O 1588654836 OYSYRLMIQRUHJN-UHFFFAOYSA-N 386.324 -0.243 30 20 GBED N#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C12CCC2 1592678073 NUKRUWNNFPZGSA-STQMWFEESA-N 383.416 -0.535 30 20 GBED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N(CC#N)CCC(=O)O)cc1 1606000135 GHUVGLTVHSOEAG-UHFFFAOYSA-N 381.410 -0.011 30 20 GBED N#CCOc1cccc(CC(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)O)c1 1608188838 OMMVKIBCQZJOHA-JSGCOSHPSA-N 386.364 -0.263 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](CO)CN1CCCC1 1628964518 OSYBAXCBOFHXNH-DZGCQCFKSA-N 380.470 -0.202 30 20 GBED C=CCN(CC=C)S(=O)(=O)N1CCO[C@H](CN(CC(=O)O)C(C)=O)C1 1776177425 VTJUQJAVPMAIFU-CQSZACIVSA-N 375.447 -0.461 30 20 GBED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)Cn1ccnn1)CCO2 1779137584 VZEPUYMAPKHQLV-HRYJJRBTSA-N 386.412 -0.180 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)cc1 1780695836 FURAEWHHQYNYGH-FQEVSTJZSA-N 396.451 -0.158 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782673182 MHXPMCNRKUHXRI-QGZVFWFLSA-N 375.385 -0.305 30 20 GBED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1790880222 YULDPHOSDXWLFM-YTFOTSKYSA-N 387.427 -0.100 30 20 GBED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21)n1cnnn1 1791685072 IRSWPRYBTQQLPN-RFGFWPKPSA-N 375.433 -0.236 30 20 GBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1795417169 UCWHYFXLHKSSTP-DRXBFXEBSA-N 376.373 -0.315 30 20 GBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCN(C)CC1 1799183757 DZGKESZXSARWBX-VXIBKDFQSA-N 376.501 -0.375 30 20 GBED C[C@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1799289554 IBCXSZQDGFZLJK-HXLZKSIXSA-N 396.444 -0.761 30 20 GBED N#CCC(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1806281271 ZEQMCGGFMNKWII-DYVFJYSZSA-N 384.396 -0.447 30 20 GBED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1826015830 SZLLFCLCZWZAOH-CIUDSAMLSA-N 385.515 -0.034 30 20 GBED O=C1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CN1 1831207484 NSKYJRSXNRFDPD-UZLBHIALSA-N 389.452 -0.618 30 20 GBED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1831404269 LUKVHJJOOCKMRW-IBGZPJMESA-N 397.472 -0.438 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CC(N)=O)CCO2 1831616249 STXAENPIXWXINE-HNAYVOBHSA-N 379.457 -0.242 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[nH]n3)CCO2)C1 1831758282 KAPDXAPWMJJULP-RDTXWAMCSA-N 376.413 -0.482 30 20 GBED C[C@@H](NC=O)C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834601665 BJMDWIHDIMLHJU-CQSZACIVSA-N 375.473 -0.004 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834848174 JFTXNKGPKTVMPQ-BEFAXECRSA-N 398.456 -0.013 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O 1848034089 SDSMKVUSVVOFEB-AGIUHOORSA-N 379.417 -0.459 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 263825733 ZTIHDCQDIYBLDS-UHFFFAOYSA-N 385.424 -0.517 30 20 GBED CN(C)S(=O)(=O)CCN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 285917023 HUDZEBFPNPSKNP-UHFFFAOYSA-N 386.499 -0.244 30 20 GBED C#CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 298082841 GTOXATSSZQTWMT-LBPRGKRZSA-N 391.453 -0.700 30 20 GBED C#CCN(CC)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 299211979 UTEDLEMYOCEWCK-UHFFFAOYSA-N 392.437 -0.773 30 20 GBED CS(=O)(=O)N1CCC[C@@H](N/C(O)=N/CC2(OCCO)CCOCC2)C1 328735676 ZDLUMNUWBCLWGH-CYBMUJFWSA-N 379.479 -0.528 30 20 GBED Cc1nc(C)n(C2CN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)C2)n1 349480339 MURVSKGKHMGDRL-UHFFFAOYSA-N 390.491 -0.743 30 20 GBED N#Cc1cccc(NS(=O)(=O)CCCCS(=O)(=O)N2CC[C@@H](O)C2)n1 349593760 SXVPMOKWUZAOMG-CYBMUJFWSA-N 388.471 -0.128 30 20 GBED Cn1cc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C)(C#N)C2)nn1 349616598 MKHQSSWVPMFYEV-UHFFFAOYSA-N 376.464 -0.488 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@H]5O)n2)cc1 374488216 LLTGMYZKSHNAFJ-SIRPWMCASA-N 392.419 0.364 30 20 GBED CN(C(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1)[C@H]1CNC[C@@H]1O 423664479 IDSXLGTZQOBQML-HOTGVXAUSA-N 375.404 -0.863 30 20 GBED C[C@@H]1CC(=O)C[C@H](C(=O)N2CC(O)(CC#N)C2)[C@@H]1C(=O)N1CC(O)(CC#N)C1 476815717 HKDFMCXXKQRXLB-VHDGCEQUSA-N 388.424 -0.808 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCCS1(=O)=O 484122579 HKTOKUHBMHBURG-FZMZJTMJSA-N 385.467 -0.082 30 20 GBED CC#CCN(C)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 492056554 XMZNERROUSSUOJ-OKILXGFUSA-N 375.429 -0.061 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)CC)cc1 506339340 MJMWVMZNKZQEQV-UHFFFAOYSA-N 375.472 -0.180 30 20 GBED CN(CCC#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 549709162 CIEDRMFVMINIEY-UHFFFAOYSA-N 393.425 -0.882 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NCCNC(=O)C2CC2)cc1 563428526 YJYCZRJUHVYXEZ-UHFFFAOYSA-N 386.455 -0.707 30 20 GBED CC(=O)NCCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 563897995 BGUIEITYMJUUJK-NSHDSACASA-N 388.471 -0.366 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)c1 568651241 PVABRLUJEBGLCW-ZLKJLUDKSA-N 389.455 -0.695 30 20 GBED CN(C)CCn1ccc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 579503262 JSTKZOVOGMVUPW-HNNXBMFYSA-N 397.439 0.330 30 20 GBED N#Cc1cnn2cc(CN3CCN(C(=O)CN4C(=O)CCC4=O)CC3)cnc12 582547220 RIMHBFSVLUUTKZ-UHFFFAOYSA-N 381.396 -0.606 30 20 GBED CCNC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)C#N)cc1 594626473 UVIHEFNNFCSAGS-LLVKDONJSA-N 388.471 -0.366 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](O)[C@H]2CCCO2)cc1 600764646 TYNKJQPMUSEPRQ-ZIAGYGMSSA-N 389.455 -0.693 30 20 GBED C=CCN(C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)[C@@H]1CCS(=O)(=O)C1 608116122 VUUNAPCLORRGCR-FWZIUSJTSA-N 382.438 -0.650 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(C)(C)CO)CC3)CC2)o1 610481041 FCFIIKGJPTXNFT-UHFFFAOYSA-N 390.488 -0.108 30 20 GBED CS(=O)(=O)N1CCN(CCNC(=O)NCc2ccc(OCC#N)cc2)CC1 727844553 YCZYFZZPIGNUCV-UHFFFAOYSA-N 395.485 -0.035 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 730276724 BBNRGFFWYHFZFJ-ZACQAIPSSA-N 398.529 -0.418 30 20 GBED COC(=O)CN(CCN1CCOCC1)C(=O)CCN/C(O)=C1\N=CC=CC1=O 746238977 XIKRYOWYXJDTHV-ISLYRVAYSA-N 394.428 -0.763 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](c2ncon2)C1 771472233 FWKQMBWTMDCOCE-NSHDSACASA-N 377.382 -0.292 30 20 GBED C[C@H](CC(=O)NN1CC(=O)N(C)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 776247020 WLAQHRSSUALESH-SECBINFHSA-N 379.398 -0.571 30 20 GBED C=C(CNC(=O)/C=C1/SCC(=O)N1C)CNC(=O)/C=C1/SCC(=O)N1C 824735816 IWOSUXSNRKWWLM-PGCXOTJKSA-N 396.494 -0.132 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C[S@](=O)c2cccc(OC)c2)CC1 831580004 VAFWFXJQKAXNEP-VWLOTQADSA-N 399.494 -0.585 30 20 GBED CC(C)(C)OC(=O)N1CCO[C@@H](CNS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 841528981 XKRYZDORVZEZNF-STQMWFEESA-N 390.462 -0.319 30 20 GBED CN(C)S(=O)(=O)N1CCN(C(=O)NCCNc2ccc(C#N)cn2)CC1 916520297 GAYOVFVIGLCNNZ-UHFFFAOYSA-N 381.462 -0.501 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)C(C)(C)C(N)=O)C[C@@H]21 960459423 YCPAZSICRZTHGP-CBBWQLFWSA-N 379.457 -0.083 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)Cn3cncn3)C[C@@H]21 960459483 YJAKNQGFGLPYFK-FXUDXRNXSA-N 375.429 -0.303 30 20 GBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)cn1 970852736 TZASPFLXUVTMCL-MLHJIOFPSA-N 379.420 -0.098 30 20 GBED CN1CCN(CCNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1116911804 VKEUKJGESJZTJI-FOCLMDBBSA-N 378.477 -0.162 30 20 GBED C#CCOCCNC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1 1116967904 HZJUCESTNUAGEQ-SFHVURJKSA-N 389.452 -0.049 30 20 GBED CC(C)C(=O)NC1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1118937734 LUODTRJXFUXMGQ-MRXNPFEDSA-N 375.473 -0.052 30 20 GBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 1193849974 SZNLFJBZYPCIEG-TVFCKZIOSA-N 376.457 -0.301 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 1261181537 YSHPZCKJKIKWQO-HNNXBMFYSA-N 387.502 -0.726 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN(CC(F)(F)C(F)F)CC2)C1 1261484559 DFDLTBCFUJNIRA-CQSZACIVSA-N 380.342 -0.092 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCCn1ccnc1 1325329195 RZSSZDDZEJNTKC-AWEZNQCLSA-N 382.428 -0.212 30 20 GBED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)NC[C@H]1CCCO1 1326698617 OQRQJCJLFZXPND-GFCCVEGCSA-N 392.441 -0.010 30 20 GBED CN(C)C(=O)COc1cccc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)c1 1329322735 SNGWRACSNWDOGA-IBGZPJMESA-N 388.424 -0.353 30 20 GBED C=C(C)Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@@]1(C)CNC(=O)C1 1342358049 IBRRQALQLPHALH-LJQANCHMSA-N 389.504 -0.158 30 20 GBED C=CCn1c(-c2cn(CCO)nn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1342468284 UZRQJSIQPWRXNV-HNNXBMFYSA-N 388.476 -0.127 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2CC2(SCC)CC2)CC1 1352590253 ZYAQRHJBCIKIFQ-UHFFFAOYSA-N 385.519 -0.452 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CC(=O)NC[C@H]2c2ccccc2)CCN1C1CC1 1356396477 JYURSCZERVOLAF-IRXDYDNUSA-N 381.436 -0.115 30 20 GBED C=CCNC(=O)Cn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@H]1C[C@@H](N)C1 1574935778 CJYCBFZQNKHQGG-MQYQWHSLSA-N 389.460 -0.280 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CCCN(c2cnc(-c3nn[nH]n3)cn2)CC1 1588351424 TYKJDNFYLWJXRK-HNNXBMFYSA-N 381.444 -0.207 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C[C@@H]1O 1588505872 YREBAMIPBOCQLK-RVKKMQEKSA-N 390.419 -0.006 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 1589331834 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C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815333201 JPNFFPUTUFECCR-QMMMGPOBSA-N 383.393 -0.267 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)C(C)C)CCO2 1830858763 BCINLFGVKCGCQZ-MDZRGWNJSA-N 382.457 -0.502 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OC)c(F)c1)CCO2 1833487712 VLUGQRQTFICGHI-SFHVURJKSA-N 377.372 -0.068 30 20 GBED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834767189 ADQCQYGADJUWHR-SFHVURJKSA-N 381.429 -0.054 30 20 GBED C[C@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835101545 GNEMLSUJWCXMBT-UWJYYQICSA-N 399.447 -0.371 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)c4ccccn4)C3)C2)CC1 1835342772 PKAYCESTRIKHJV-OXJNMPFZSA-N 399.451 -0.158 30 20 GBED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835359366 GAAGSWYUKMTFAJ-KSSFIOAISA-N 378.429 -0.563 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1835360251 XZESOKCESQZOSJ-QGZVFWFLSA-N 375.385 -0.444 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837296846 KVKHOTMIGCHLRJ-PMACEKPBSA-N 399.403 -0.189 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1837397364 PJYJKKGOPGUWII-SCLBCKFNSA-N 393.444 -0.552 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1839810389 VBSFSIQWPVOEBZ-GHTZIAJQSA-N 396.447 -0.158 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840380078 RUCPBVNBULDETE-HNNXBMFYSA-N 380.430 -0.733 30 20 GBED N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 21915055 GWDGKVVYPRQJLY-UHFFFAOYSA-N 385.409 -0.445 30 20 GBED COCC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 49246980 PBXDJBUALMOGID-UHFFFAOYSA-N 394.453 -0.504 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N(CC(=O)OC)CC(=O)OC)c1 67404132 ZOMSLQWBCSJUCK-UHFFFAOYSA-N 384.410 -0.061 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 264211765 VZNQZEROXHJCPT-UHFFFAOYSA-N 377.466 -0.013 30 20 GBED CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 267519551 JBCHEZKZFIRUEC-AWEZNQCLSA-N 381.396 -0.126 30 20 GBED N#Cc1cccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 271694356 JJEYQHQLINWYER-UHFFFAOYSA-N 385.424 -0.500 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@](COC)(C(=O)OCC)C2)C1=O 281833099 YCAVGMBVAUYZCJ-SFHVURJKSA-N 395.412 -0.219 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(c2ncnc3c2cnn3C)CC1 283062732 UBHPZRHUHURJCX-LBPRGKRZSA-N 378.462 -0.036 30 20 GBED CS(=O)(=O)N1CCC[C@H](N/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)C1 328816018 PQLULNZALFBOHZ-NWDGAFQWSA-N 382.508 -0.662 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)CCO1 332124695 IUZYORUQNKMJDF-CQSZACIVSA-N 378.410 -0.084 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)[C@H](C)C1=O 349479641 UZUDDHGZSYBTMB-GFCCVEGCSA-N 380.492 -0.956 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCOC1 349548674 GAZXLZNEQRPOKW-NEPJUHHUSA-N 383.517 -0.644 30 20 GBED CN1CCN(Cc2ccc(CNS(=O)(=O)N3CCO[C@H](C#N)C3)cc2)CC1 409546275 CPLHPFSMLGBEJZ-GOSISDBHSA-N 393.513 -0.007 30 20 GBED CN(C)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 471332540 YSMVAIFEQIYKCP-UHFFFAOYSA-N 381.414 -0.139 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CC(O)(CC#N)C2)cc1 476816423 DBABTWBBMFSVAP-UHFFFAOYSA-N 380.426 -0.248 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)NCC(=O)N3CCNCC3)C2=O)cc1 516025856 RBINHBZPZWUVGS-INIZCTEOSA-N 384.440 -0.215 30 20 GBED C[C@@H]1CN(CCNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCO1 531406142 UCHQLKVFMIYYHO-CQSZACIVSA-N 397.439 -0.027 30 20 GBED Cc1sccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c1=O 573779895 FPCFFCCRTJTGQL-UHFFFAOYSA-N 390.490 -0.207 30 20 GBED CN(C)C(=O)CN1CCC(NCCS(=O)(=O)c2ccc(C#N)cn2)CC1 578980962 BDDKCXXPAJHQRW-UHFFFAOYSA-N 379.486 -0.131 30 20 GBED CCOC(=O)CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 594623681 WEBYUVCMIVLLDG-UHFFFAOYSA-N 375.428 -0.328 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccn(C(C)(C)C(=O)OC(C)(C)C)n1 595000156 JLEVYWSYAAANQA-UHFFFAOYSA-N 393.444 0.317 30 20 GBED CSCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(N)=O 600257440 MHOCUAMMRWYSMA-MFKMUULPSA-N 384.483 -0.052 30 20 GBED C[C@@](C#N)(NC(=O)COC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1 785654586 GJSQGLMDRQFCEP-KUHUBIRLSA-N 392.456 -0.481 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)[C@@H](F)C(=O)N(C)[C@@H]2CCN(CC=C)C2=O)C1=O 868015659 BOXMZMZJQIVDHR-FICVDOATSA-N 394.447 -0.185 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(CC(F)F)c2)CC1 878788877 LBSDWRDLOKECGF-UHFFFAOYSA-N 376.389 -0.235 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cncnc2O)C1 967750876 BDOWLBUOLZHRRN-ATGSNQNLSA-N 376.413 -0.145 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2noc3c2COCC3)C[C@@H]1O 970711558 HOGNIVMKPBURLU-ZZVYKPCYSA-N 377.397 -0.360 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nnc(O)nc2O)nc1 1004742316 MVSHBZFFQZMMDQ-RTXFEEFZSA-N 380.364 -0.165 30 20 GBED C=C(Br)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNS(=O)(=O)NC 1110859706 JWODFNDZIGLSGC-MXWKQRLJSA-N 381.296 -0.330 30 20 GBED C=C(C)COCCNC(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 1117558114 RMXPMYUJTXTTJV-UHFFFAOYSA-N 391.490 -0.794 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCC3(CC2)C[C@@H](O)CCO3)CCN1C1CC1 1262524106 BOYXQUSAURDPDO-HOTGVXAUSA-N 376.457 -0.282 30 20 GBED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N1CCOCC1 1303412569 YVDFGHUDPODDOY-ZDUSSCGKSA-N 391.432 -0.996 30 20 GBED CN(C(=O)COC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(C)(C)C#N 1317823715 XGOVPCURVFUTBA-NWDGAFQWSA-N 385.442 -0.674 30 20 GBED CO[C@]1(CNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCOC1 1322491212 PIHCZINRUGJHCD-IBGZPJMESA-N 387.440 -0.040 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NCc1cccc2c1OCO2 1323434466 NRZIOPOVKCHNNV-JQIJEIRASA-N 386.364 -0.326 30 20 GBED CS(=O)(=O)N1CC(CNC(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 1323528798 BWXDBPMSCDSXMC-HNNXBMFYSA-N 376.438 -0.331 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCC(N(C)S(=O)(=O)CC)CC1 1327473640 UFBWXGQTZYBFLE-UHFFFAOYSA-N 387.502 -0.243 30 20 GBED CCN1C(=O)[C@@H]2CN(C(=O)C(=O)NCc3ccc(OC)c(C#N)c3)CCN2C1=O 1331701756 KIVGYVIWASMNET-AWEZNQCLSA-N 399.407 -0.322 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCCN2CCCCC2=O)CC1 1341866336 OYOAQVUMFCPMKU-UHFFFAOYSA-N 376.457 -0.507 30 20 GBED COC(=O)CCN1CC[C@H](OC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1=O 1350050063 IZXAZTVMGXGGKY-SUQMRRJOSA-N 379.369 -0.390 30 20 GBED C=CCn1c([C@H]2CC(=O)N(C)C2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 1350531236 UAYPXHYJJMTDTL-ZDUSSCGKSA-N 397.505 -0.662 30 20 GBED Cn1cc(N2C[C@@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC2=O)cn1 1351735608 LECJXTMYCIWQPA-NSHDSACASA-N 384.400 -0.157 30 20 GBED Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCNS(C)(=O)=O 1554350168 QSAVWVXMWISROR-LBPRGKRZSA-N 379.446 -0.438 30 20 GBED C=CCn1cc(C(=O)N[C@H](C)C2CN([C@@H](C)C(=O)NCc3cnn[nH]3)C2)nn1 1575112191 QPEORDDIHFQQNF-NEPJUHHUSA-N 387.448 -0.663 30 20 GBED N#Cc1ccc(N[C@@H](CO)CNC(=O)C2CCN(Cc3cnn[nH]3)CC2)nc1 1577715451 OJNMHKKHLIVAJX-MRXNPFEDSA-N 384.444 -0.127 30 20 GBED C#Cc1ccc(C(=O)NC[C@@]2(O)CCN(c3nccnc3-c3nn[nH]n3)C2)nc1 1588371361 DXAAFIKJSBZGPG-SFHVURJKSA-N 391.395 -0.596 30 20 GBED C=CCN1CC[C@@H](N2C[C@H]3[C@H](NC(=O)c4ccc(-c5nn[nH]n5)[nH]4)[C@H]3C2)C1=O 1602862535 JMWHXVXMXCHWKG-BVIHXZOGSA-N 382.428 -0.358 30 20 GBED N#CCSCC(=O)NC[C@H]1COCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1606351248 QZDWOHQWWKORQS-NSHDSACASA-N 390.429 -0.591 30 20 GBED N#Cc1nc(NC(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)[nH]c1-c1nn[nH]n1 1606354973 ZPJXJNZYAJQAPY-WHFBIAKZSA-N 390.307 -0.377 30 20 GBED C#CCNC(=O)CNS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 1776135055 SVEYRLLVJPVUHG-LLVKDONJSA-N 379.394 -0.848 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1778968592 UNHKRXHNJNBBDM-KSSFIOAISA-N 377.445 -0.168 30 20 GBED O=C1C[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)CN1 1779020859 CYDHMGDBKLOBHR-HOVJHJAMSA-N 391.472 -0.576 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1783106221 AIULWWQUJUPWOT-VDZJLULYSA-N 381.473 -0.321 30 20 GBED CCCNC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783558151 OXGHHCBXRDNGKT-GOSISDBHSA-N 379.413 -0.789 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)C3CN(C)C3)C2)C1 1784784215 MNKJQMLDKLPPGJ-IBGZPJMESA-N 379.457 -0.113 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21 1791072950 IVVSNYBIJGQWMM-GVXVVHGQSA-N 391.336 -0.131 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)OC)[C@H]2C1 1791475519 VBWKQEPSAPFSJN-QPSCCSFWSA-N 381.429 -0.640 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC)C2 1792488728 OTADBOGNOHYPIN-ZRWBKPHVSA-N 378.473 -0.568 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(CO)on1)C2 1793358489 HZXJDJLELNYZTQ-JFILPPLUSA-N 379.413 -0.039 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccc(O)nn2)C3)CC1 1795412373 CSAHLRLBOSCBED-DRXBFXEBSA-N 387.396 -0.546 30 20 GBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cscn1 1796307277 NXLSSTGNAQAPCR-ZCURGHERSA-N 384.527 -0.079 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(CO)on1 1798729761 DFQYJWQBJNAAIT-JFILPPLUSA-N 377.397 -0.592 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)NC)C2 1799301588 BNJPAXNBGUKVSP-FVCICTRLSA-N 381.429 -0.779 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1812880414 NFUQDWFPVDKEAT-SUNYJGFJSA-N 384.392 -0.689 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)C1 1829944935 QJGKGRYVRJOCKS-FOIQADDNSA-N 391.468 -0.065 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1830061493 HUPWKVKDPDTNHD-ACJLOTCBSA-N 378.429 -0.871 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)OC)CCO2 1840209855 AZADHZGMBPVQQG-KXBFYZLASA-N 398.456 -0.013 30 20 GBED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840429833 FOAFZKBOHOOPBB-QAPCUYQASA-N 375.429 -0.111 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1840844776 LBLQTOXLXWJKLV-IBGZPJMESA-N 388.424 -0.275 30 20 GBED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)CN(CCO)CCO)C3)c1 1844895688 MZPPYKPZZTXRJI-UHFFFAOYSA-N 386.452 -0.338 30 20 GBED N#CCN1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 266808734 CFOLYYRQJUTMDY-ZDUSSCGKSA-N 391.453 -0.645 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)c1 267230113 KQUVNDOGIJAAFX-AWEZNQCLSA-N 377.422 -0.136 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)c1 267230116 KQUVNDOGIJAAFX-CQSZACIVSA-N 377.422 -0.136 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3nc(C)cc(C)n3)CC2)C1=O 270909080 UJHNVMRDRBVGLA-UHFFFAOYSA-N 386.412 -0.281 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCNC(=O)c1ccn[nH]1 272529943 BCCRDZOEYBBWPZ-NSHDSACASA-N 390.425 -0.506 30 20 GBED N/C(=N\CCS(=O)(=O)NC[C@@H]1CCCCO1)NCCCN1CCOCC1 304740501 BQVSBLMECWZCCW-HNNXBMFYSA-N 391.538 -0.899 30 20 GBED Cc1ccc(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)cc1S(=O)(=O)NCC#N 332201888 IBCIHYYHKVOSOO-GJZGRUSLSA-N 378.454 -0.048 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CCC2)nn1C 349544141 PNMGGXBXNMKHRF-UHFFFAOYSA-N 390.491 -0.131 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCCS(=O)(=O)N[C@H]1CCOC1 349564633 KOHKZSUYZXLPOV-STQMWFEESA-N 397.544 -0.254 30 20 GBED CC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 422391364 UZHGPUKMSCHUKA-NVXWUHKLSA-N 397.435 -0.093 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CCN([C@@H]3CCNC3)CC2)CC1 423055605 DMNIBAUYZRSOGW-GOSISDBHSA-N 396.495 -0.287 30 20 GBED Cc1cccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C#N 443094366 OIYJTIPTWRGJNQ-GFCCVEGCSA-N 385.467 -0.162 30 20 GBED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)N(C)C[C@H](C)C#N 499748737 LMZXUESPCQAMPQ-CQSZACIVSA-N 375.495 -0.955 30 20 GBED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CC1 502296290 YTRNMOHSPPLNCO-JKSUJKDBSA-N 396.451 -0.129 30 20 GBED COc1cc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)ccc1NS(C)(=O)=O 536947749 OGCZLBOFZTYASH-NSHDSACASA-N 382.398 -0.244 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](CO)Cc2ccncc2Cl)C1=O 550105483 IPKJZPIODQPRJT-NSHDSACASA-N 394.815 -0.021 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCNC(=O)c2ccco2)c1 554488481 WYJTVCLRJCYBIF-UHFFFAOYSA-N 376.394 -0.024 30 20 GBED CC(=O)N1CCN(C(=O)CCNCCS(=O)(=O)c2ccc(C#N)cn2)CC1 565654910 ONWGUPFHJFTBGJ-UHFFFAOYSA-N 393.469 -0.603 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)CC1 741211980 NEVGYSBLRCJODW-QGZVFWFLSA-N 391.516 -0.042 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cc3c(N(C)C)ncnc3n2C)CC1 747381198 DTUPIGVIKJXXEI-UHFFFAOYSA-N 383.456 -0.459 30 20 GBED C#CCOCCC(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 756315519 VEARTPDIZOSVOV-UHFFFAOYSA-N 399.403 -0.057 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NCCOc2cccc(F)c2)CC1 761038617 OPBKAMDKIBWRPX-UHFFFAOYSA-N 398.460 -0.594 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCOC[C@H]1c1ncon1)c1cc[nH]n1 772489849 YBCDKWXJBKZCHJ-NSHDSACASA-N 378.345 -0.323 30 20 GBED N#CCOc1ccc(CC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 787997402 FBUWTTMHCOLBMT-DLBZAZTESA-N 393.465 -0.566 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@]2(c3ccccc3)CNC(=O)C2)CC1 826549393 FVLUVUJCZXMNNW-NRFANRHFSA-N 382.464 -0.272 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H](c3ccccc3)OC2=O)CC1 831574548 IWBXHTOECVRCNI-HOTGVXAUSA-N 391.449 -0.097 30 20 GBED COCCN1C(=O)c2ccc(C(=O)N[C@H]3CNC[C@H]3C#N)cc2S1(=O)=O 834493130 AYWKKVBKZASRDD-YPMHNXCESA-N 378.410 -0.681 30 20 GBED C#CCOc1ccccc1CNC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 841821797 IDNQYAPCKYXAGP-UHFFFAOYSA-N 392.481 -0.173 30 20 GBED CN(CCOCCNC(=O)OC(C)(C)C)c1c(C#N)c(=O)n(C)c(=O)n1C 858784308 OPMKOLVWXWCVJR-UHFFFAOYSA-N 381.433 -0.067 30 20 GBED CCN1CCN(CC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2F)C(=O)C1=O 861013045 BWPISQRTTFCALY-UHFFFAOYSA-N 396.400 -0.666 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1OC 946822440 VTVYMYDXIZXTIW-LVQVYYBASA-N 379.457 -0.068 30 20 GBED C=CCn1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)nn1 960701345 VPRBAGRXJYTQNC-VXNIMSTFSA-N 399.451 -0.061 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccc(O)nc2)C[C@@H]1O 964615285 MCVRDCWMTUJREV-WCVJEAGWSA-N 375.425 -0.001 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C2CC(=O)NC(=O)C2)cn1 1004122048 XWQGOZWUBHPHRC-OAGGEKHMSA-N 380.404 -0.023 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nc2ncc(C)cn2n1 1109434345 KKVPNDAUGWQBGM-XGUBFFRZSA-N 381.440 -0.094 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1c[nH]nc1-c1cnn(C)c1 1109961887 ISWFPABCZYCAQZ-KBMXLJTQSA-N 381.440 -0.105 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCN(C)[C@@H]3C)[C@@H]2C1 1187958409 UFDHHDMJXLYDIO-QKPAOTATSA-N 377.489 -0.129 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCS(=O)(=O)CC1 1254883217 XLVHILIVSJMLEK-UHFFFAOYSA-N 388.409 -0.357 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)CCO1 1261232039 SOMKEEUCSVPDSY-GDBMZVCRSA-N 386.408 -0.467 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C)c1ncc(C(=O)OC)s1 1261448168 OYFDSOQJRKESLK-VIFPVBQESA-N 389.455 -0.176 30 20 GBED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)C1 1288977377 MQJQGGUGMXLVGR-BLLLJJGKSA-N 395.489 -0.092 30 20 GBED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNS(C)(=O)=O 1297289057 CHADCYDMSSONQS-AWEZNQCLSA-N 397.505 -0.460 30 20 GBED COc1ccc(OC)c(CN(CCO)C(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 1331083863 RWHMOTHKDXSDCV-HNNXBMFYSA-N 377.397 -0.224 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)Cn2ccnc2C)CC1 1334937882 ZAEVVIUTTDZRIJ-CQSZACIVSA-N 382.490 -0.378 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 1353684990 IXSDLMGQSKZSKW-QGZVFWFLSA-N 394.516 -0.561 30 20 GBED C=CCn1c([C@@H](CC)CO)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1356056326 SVJAKBGJDVZCJU-INIZCTEOSA-N 392.504 -0.069 30 20 GBED COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1Cc1cnnn1C 1504885446 ZRHCEJPCUOYVHR-UHFFFAOYSA-N 375.437 -0.040 30 20 GBED C#CCN(C(=O)[C@H]1CCCCO1)C1CCN(CC(=O)NCc2cnn[nH]2)CC1 1574895071 MPKYLAAGECFRQF-QGZVFWFLSA-N 388.472 -0.084 30 20 GBED N#Cc1ccc(N2CC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)cn1 1581871310 PJEVUPIEVREQTE-ZFWWWQNUSA-N 379.384 -0.169 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCNc1ncccc1-c1nn[nH]n1)[C@@H]1CCCO1 1588327441 JEDUBMLTFOODQX-STQMWFEESA-N 384.400 -0.913 30 20 GBED C[C@H](C(=O)NCC(=O)O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1603160930 KWKPJPVKYXKIDB-GFCCVEGCSA-N 380.426 -0.546 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)s1 1607038040 OHGCOMIVKZXYKU-ACCUITESSA-N 395.426 -0.267 30 20 GBED N#Cc1cn(CCNC(=O)NCCn2cc(Br)cn2)c(=O)nc1O 1686411908 UBOMYAOZVGYRDA-UHFFFAOYSA-N 396.205 -0.221 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccn4nccc4c3)C2)C1 1778740951 ZOMGHSHIXXFUFK-IBGZPJMESA-N 382.376 -0.134 30 20 GBED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1784495141 XJOTXQNRWSDKER-DZKIICNBSA-N 392.456 -0.175 30 20 GBED NC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1785628977 GQNSUXBXUIKWNB-ZOSAASJSSA-N 397.432 -0.986 30 20 GBED CC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792559312 VCHGYDSLHOQAHG-XEMDLRDOSA-N 384.436 -0.174 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1793342270 CATBYASYJNVENR-DPYKFYPSSA-N 389.408 -0.266 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn(C)c1 1794748086 IYYGUMNWICJRJC-FKJOCPDWSA-N 387.440 -0.518 30 20 GBED CN1CCN(C2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)CC2)CC1 1795085385 GNQMDAFPNDKGDL-SCAQPMJSSA-N 375.473 -0.730 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn2cncc2c1 1797506808 XCHWHUICZNJCBR-ZSBFGKGUSA-N 382.376 -0.375 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1797709408 FIBQNFBPIUICOA-XGYYKPKNSA-N 393.484 -0.325 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(=O)Nc2cccnc2)CC1 1797886523 OVCSYAKOWYCOJQ-AGGWBTHJSA-N 383.408 -0.087 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C2 1800452181 XSYCSMRIYKRMCJ-CCWDJLKJSA-N 390.461 -0.145 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]1C1CC1)CCO2 1830505876 RTKLTYGKFGFHTR-KHYOSLBOSA-N 376.409 -0.423 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1831421339 IIHXAVHEZLGEAX-KBXCAEBGSA-N 393.444 -0.524 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)C1 1831563578 NTFLJKMVZRENBJ-KSSFIOAISA-N 379.413 -0.483 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2 1831733119 ZTBDQFLKGMHFCJ-KRWDZBQOSA-N 375.385 -0.444 30 20 GBED Cc1cccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831842162 QTYGPDKFRRJYQC-IBGZPJMESA-N 387.392 -0.452 30 20 GBED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835575626 VSUSYPNZOXSDSO-IBGZPJMESA-N 395.504 -0.082 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1837396614 HOKBFGMTZNFUGF-FTRWYGJKSA-N 393.484 -0.456 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1839845897 BUMYREMQAKBJLR-DOXZYTNZSA-N 379.457 -0.209 30 20 GBED C[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840024616 FTTVFGMGENSHSF-VVXQBARXSA-N 399.444 -0.647 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCSC3)C2)C1 1840045111 RLTOCKGHCLRPJN-RDTXWAMCSA-N 396.465 -0.326 30 20 GBED COc1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840157797 AWXCGCBOKUMFIO-YVEFUNNKSA-N 396.469 -0.127 30 20 GBED CN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1=O 267381966 OYKROPIAARQSHF-SNVBAGLBSA-N 379.373 -0.622 30 20 GBED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCn2cnc(C#N)n2)[C@@H](C)O)cc1 287064179 XMCFEEYVRZBPIK-IUODEOHRSA-N 392.441 -0.698 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NC[C@H]1CCCS(=O)(=O)C1)c1cc[nH]n1 291900724 PWQFLXHNOULUFZ-NUSFMGPTSA-N 386.430 -0.366 30 20 GBED CN1CCO[C@@H]2CN(/C(O)=N/CCS(=O)(=O)NC[C@@H]3CCCCO3)C[C@H]21 329966185 RRLONLZJOFLHHY-RRFJBIMHSA-N 390.506 -0.596 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1 330642805 GIQNOQKWUDVNMF-SFHVURJKSA-N 379.461 -0.956 30 20 GBED CN(C)S(=O)(=O)c1cccc(/C(O)=N/CC(=O)N2CCO[C@@H](C#N)C2)c1 330660364 SCAAKFHJBIXFIL-ZDUSSCGKSA-N 380.426 -0.008 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCNC(=O)C1 349475634 XUAHEGNXZGWGDN-NSHDSACASA-N 386.455 -0.660 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)s1 408402541 IMPOJKPXMCYEGO-UHFFFAOYSA-N 398.466 -0.689 30 20 GBED N#Cc1ccc(N2C(=O)C[C@H](N3CCN(C(=O)C(=O)NC4CC4)CC3)C2=O)cc1 477036574 UOEJRECLEVPJPM-INIZCTEOSA-N 395.419 -0.387 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccn(CC(N)=O)n1 480654723 UGLGEKDNZPNJHO-SNVBAGLBSA-N 376.398 -0.454 30 20 GBED N#CCNC(=O)CNC(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 511900093 DATBYLTWIGXWQN-INIZCTEOSA-N 386.456 -0.177 30 20 GBED CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)N=c1ccnc2n(C)[nH]cc1-2 515339192 AXAIVRDBGLWTAE-UHFFFAOYSA-N 399.498 -0.242 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC([C@H]3NC(=O)C3(C)C)CC2)C1=O 581151297 AEBMRIIKJGVXQN-CYBMUJFWSA-N 376.413 -0.274 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2[C@H]3COC[C@H]32)c1 594631546 PLGSIVDDEXUSNY-FICVDOATSA-N 396.450 -0.352 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 594822819 PNYOGTJJQFKMBS-KOLCDFICSA-N 375.384 -0.443 30 20 GBED N#Cc1ccc(CCNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 595689930 FZKTVBFHZMARIC-UHFFFAOYSA-N 399.451 -0.187 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2COCCN2)cc1 626880184 XTRNROBHDHSENJ-AWEZNQCLSA-N 396.469 -0.464 30 20 GBED CCN(CCC#N)C(=O)COC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 748419659 ZKTXKCKFTISUNU-UHFFFAOYSA-N 387.396 -0.140 30 20 GBED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)N(CCC#N)CCC#N 756749088 KUEXNTSZTQDSIW-GFCCVEGCSA-N 396.429 -0.714 30 20 GBED CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1 796217786 OQPYVWVVASMLHZ-UHFFFAOYSA-N 389.455 -0.582 30 20 GBED C#CCOCCNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ncn(C)n2)cc1 848929624 HMDNFJSWVWRJJN-UHFFFAOYSA-N 399.454 -0.456 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](C)C1 959681989 DHVBROOMFRYNGW-NGFQHRJXSA-N 377.445 -0.556 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@H]21 1022750157 PZWRCBYJLXRBCK-LOWDOPEQSA-N 377.401 -0.660 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CC)nn2)C[C@H]1O 1023916196 PFAFNDJFOLACIR-XNISGKROSA-N 377.445 -0.029 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@H]1O 1023942968 XLEOVGHRIQVWPI-NHIYQJMISA-N 386.470 -0.910 30 20 GBED C#CCNC(=O)CC(=O)NC1(CO)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1080824478 NZYLHDAOLXZBRG-JSEZXORMSA-N 389.452 -0.981 30 20 GBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(CC(=O)NC)no1 1109270186 VJGGACJRKJASOW-MQYQWHSLSA-N 375.429 -0.382 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCNS(=O)(=O)CC)nn1 1109813900 AVTZAIZCNRRWAO-IPYPFGDCSA-N 382.490 -0.262 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CC(=O)N(CCOC)C1 1110615384 QHPXIRGUOIWJPO-FPCVCCKLSA-N 378.473 -0.495 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1)[C@@H]1CCCO1 1117544892 RDCPHBBITBEAHZ-IPYPFGDCSA-N 389.412 -0.475 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 1117584173 NGNAADKBIVPMFU-IUODEOHRSA-N 376.500 -0.126 30 20 GBED CC(C)N1CCC(N2CCN(C(=O)C(=O)N3CCO[C@H](C#N)C3)CC2)CC1 1117921212 NZVBHAOZSJKIKM-QGZVFWFLSA-N 377.489 -0.246 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1c1cncn1C 1131074018 VCEJTVHFKVNDES-HBPKQKSZSA-N 385.468 -0.379 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 1324414676 WYCRFGOTHRUDAB-LSDHHAIUSA-N 398.485 -0.448 30 20 GBED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C(=O)N(C)C)cc1 1326465256 XEXBSPKLZMGYFA-WDEREUQCSA-N 380.426 -0.096 30 20 GBED N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)NC[C@H]3COCCN3)CC2)c1 1331621277 QYFLJBPRTFNRSM-KRWDZBQOSA-N 399.451 -0.160 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CC(OCC(F)F)C1 1338719540 MCGQCUHIJXJVLJ-UHFFFAOYSA-N 382.371 -0.001 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 1345220512 LZQLPTWCQRHMKQ-MRXNPFEDSA-N 390.465 -0.494 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCOCC2(CCC2)C1 1346277903 SCLSSYLGMBYSLF-PFONDFGASA-N 376.413 -0.342 30 20 GBED C[C@@H](C#N)C(=O)N(C)CCN1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1530113266 QJAPQGYSMRBCNU-LUKYLMHMSA-N 378.473 -0.200 30 20 GBED C[C@H](C#N)C(=O)N1CC[C@@H](N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 1571205710 KYHRCBVQAKRCMZ-CHWSQXEVSA-N 382.432 -0.461 30 20 GBED C[C@@H](C#N)C(=O)N1CCC[C@H](N(CCO)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573568172 YWSQFODWHJWELH-AAEUAGOBSA-N 386.416 -0.220 30 20 GBED N#Cc1ncn(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)c1-c1nn[nH]n1 1581885523 CNOTZOLBHNPGPO-UHFFFAOYSA-N 383.416 -0.204 30 20 GBED C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[nH]n2)c(C)c1 1588349393 CRSYSXINXWTTAL-GFCCVEGCSA-N 395.466 -0.014 30 20 GBED C#CCNC(=O)[C@@H](C)NC[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588353508 VROMXFIUDLZDTF-TZMCWYRMSA-N 384.444 -0.083 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 1592665244 NBFCCLZUOJQKBA-CHWSQXEVSA-N 380.368 -0.688 30 20 GBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1602722395 PPUCVHWKJUUOMF-LBPRGKRZSA-N 377.430 -0.953 30 20 GBED C=CCn1c(C[C@@H]2SCCNC2=O)nnc1N1C[C@@H](C(=O)O)O[C@H](C)C1 1602935212 BMFWKMXQPOTFQS-WOPDTQHZSA-N 381.458 -0.084 30 20 GBED N#CCSCC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[nH]n3)nn2)C1 1606351204 PLOMDBTVNXFMEU-OAHLLOKOSA-N 389.445 -0.321 30 20 GBED CO[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@](C)(C(=O)O)C1 1606762324 BIHYPAFYBVIHAG-WBMJQRKESA-N 381.410 -0.073 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](O)NC(=O)OCC)C3)C2)C1 1778779925 XTTJQHUBOXCKQU-RDTXWAMCSA-N 381.429 -0.153 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)ccn3C)C2)C1 1780101198 BCQSYTSDEHJOSN-FOIQADDNSA-N 387.436 -0.133 30 20 GBED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]3C2)C1 1786886471 YAUBPSWUZSHOKA-TUUVXOQKSA-N 378.473 -0.475 30 20 GBED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795358527 XCWVLCCEDKPIRY-XOIINTDNSA-N 388.486 -0.397 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2[nH]ccc2n1 1797399214 ZLOHZLLLDQYUEN-KSPBDQMDSA-N 382.376 -0.146 30 20 GBED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)nn1 1800203959 KWUBATIJBCQPDP-DRXBFXEBSA-N 389.412 -0.300 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3c[nH]c(=O)cn3)sc2C1 1821474299 NFRCZWKSUMVUIJ-MRVPVSSYSA-N 387.377 -0.460 30 20 GBED CN(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC#N)CC2)C(=O)C(=O)O 1824670047 NBJAJFOVOFTFJZ-QMMMGPOBSA-N 379.398 -0.488 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cocn3)C2)C1 1831391341 NRWYPYJYXJOZGA-KBXCAEBGSA-N 377.397 -0.217 30 20 GBED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC(N)=O)CC2)CC1 1833468781 FZVVBIXCBJEXFT-OAHLLOKOSA-N 392.500 -0.138 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)cn1)CCO2 1834480114 FCGPKAJVJDKNNM-SFHVURJKSA-N 391.355 -0.621 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1835354588 PKRUGWGCPBCAEQ-INIZCTEOSA-N 383.474 -0.237 30 20 GBED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835358391 AMAHBAHLMHHLCS-KSSFIOAISA-N 378.429 -0.633 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839859116 QXPKLWCWGPGVQN-BEFAXECRSA-N 397.472 -0.848 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840234400 OWZHDSHLAGYSPM-HNAYVOBHSA-N 377.441 -0.618 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840568994 ZVMPGBSRKFSZAA-BEFAXECRSA-N 381.473 -0.405 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1840844677 HRGOCBZPLBBPTR-RHSMWYFYSA-N 376.417 -0.896 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CCNC(=S)NC)C2 1841055138 YISQIQCWTQTPJN-WAYWQWQTSA-N 393.513 -0.468 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CCN(C)C)CC2)c1 193158571 GIHROJWLKZCPFM-UHFFFAOYSA-N 378.498 -0.083 30 20 GBED COCc1ccc(/C=c2/s/c(=C(/C#N)C(=O)N3CCOCC3)n(C)c2=O)cc1 266075716 JNWVJXTZQYIRMK-IJKLSFDZSA-N 399.472 -0.045 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@@H](C)CC(=O)OC)CC2)C1=O 266912704 JKFDBOUUNQMARX-LBPRGKRZSA-N 380.401 -0.941 30 20 GBED C[C@H](O)C(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 270786205 BFPUPHNWYMSGST-OLZOCXBDSA-N 394.453 -0.723 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CC[C@@H](CN2CCOCC2)C1)c1cc[nH]n1 276586667 MNLUNRJNQHNCSK-HGNXGAGXSA-N 393.444 -0.126 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCN(C[C@@H]2CCOC2)CC1)c1cc[nH]n1 277911653 FZERKUDNQOESFG-HGNXGAGXSA-N 393.444 -0.126 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)C1=O 283636491 UIUCWXHOVUVIAT-IAGOWNOFSA-N 393.532 -0.380 30 20 GBED CNS(=O)(=O)C1CCN(/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)CC1 328748573 QLIYNUMEMSDZQW-LLVKDONJSA-N 382.508 -0.662 30 20 GBED CN(C)[C@]1(C/N=C(/O)N2CCN(C(=O)CN3CCOCC3)CC2)CCSC1 330073995 KXVDCJXEVJCXBJ-SFHVURJKSA-N 399.561 -0.186 30 20 GBED C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 330241648 FUMSASDPRHUSEG-HZPDHXFCSA-N 386.518 -0.396 30 20 GBED CN(CC(=O)N1CCN2C(=O)NC[C@@H]2C1)S(=O)(=O)c1ccc(C#N)cc1 332150982 MZQNQHSXXLGNGQ-CYBMUJFWSA-N 377.426 -0.585 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCOCC(F)(F)C1 349507285 VMBKERBDKIPYEN-NSHDSACASA-N 389.446 -0.105 30 20 GBED C=CCN1CC[C@@H](N(C)CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1=O 499984976 ATVGSBZNOTVLNV-OAHLLOKOSA-N 388.534 -0.119 30 20 GBED N#C[C@@H](c1ccccc1)N1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)CC1 501883823 CIZXJNFJBPKLNG-INIZCTEOSA-N 398.510 -0.156 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCNC(=O)N(C)C 537214050 IIMOIKASOVCLLS-LBPRGKRZSA-N 381.458 -0.045 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(CCN(C)C)CC2)C1=O 559701634 APPYECUUTKUDIK-MRXNPFEDSA-N 379.505 -0.626 30 20 GBED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NCC(=O)N1CCNCC1 570619603 UAFJWJAHBYYTAX-IAGOWNOFSA-N 383.452 -0.167 30 20 GBED CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 576025439 GEYMXKODKZNARH-LSDHHAIUSA-N 384.440 -0.367 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCN2C(=O)CCCC2=O)cc1 583433715 VYOMLIYEGYWSBC-UHFFFAOYSA-N 378.410 -0.508 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1csc(N(C)C)n1 588322836 XGWSSDMVGOFEDR-UHFFFAOYSA-N 390.473 0.093 30 20 GBED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NC[C@@H]2COCCN2)CC1 599961922 JJLPIAOLJVNYEN-CYBMUJFWSA-N 388.428 -0.823 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 613260824 JHZZNPVOLDMWBK-INIZCTEOSA-N 390.465 -0.381 30 20 GBED Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cn1C 727006496 MGRBXOYXJZUBHR-HNNXBMFYSA-N 383.430 -0.642 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 758040266 HXTNZCDCWJJQTE-UHFFFAOYSA-N 398.444 -0.315 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 761031282 PSUOSYNHQLTMOM-CYBMUJFWSA-N 393.469 -0.802 30 20 GBED N#CC1(CS(=O)(=O)NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCC1 771070573 GQDZDKCDGOZVEL-RFHZTLPTSA-N 395.437 -0.321 30 20 GBED COC(=O)Cn1cc(CCSc2nc(N)c(C#N)cc2-c2nn[nH]n2)nn1 821663762 NDOGXOKSBIGELH-UHFFFAOYSA-N 386.401 -0.185 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)/C=C\CN(C)CC(F)(F)F)CC1 831574951 SXFDWRNAYYMKMS-PLNGDYQASA-N 382.408 -0.352 30 20 GBED C#CC[C@@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC 837938012 CRFWHFRXCMJSBJ-CYBMUJFWSA-N 383.382 -0.056 30 20 GBED C=CCCn1cc(COC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)nn1 848726176 LECQHIKNCANAKN-UHFFFAOYSA-N 382.402 -0.697 30 20 GBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1Br 848966873 FGQUVQXYVOOECY-UHFFFAOYSA-N 399.292 -0.133 30 20 GBED N#CCCN1CCN(C(=O)C(=O)NC2CCN(C[C@H]3CCCO3)CC2)CC1 875040892 YFCQHYMXDRVQKW-QGZVFWFLSA-N 377.489 -0.196 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N(CCN2CCOCC2)[C@H]2CCSC2)CCO1 882372135 DCZFBPKEGJMSRC-LSDHHAIUSA-N 390.531 -0.405 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc([S@@](C)=O)cc2)CC1 893491942 WQXJVKLCIJWXHD-RUZDIDTESA-N 398.510 -0.281 30 20 GBED C#CC1(O)CN([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 934445407 XFHVARMEXXJSHV-AWEZNQCLSA-N 393.465 -0.286 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C[C@H]2OC)c1 946644170 QILZGTJUQBCCIO-BASLNEPJSA-N 384.436 -0.067 30 20 GBED C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2n2ccnn2)O1 990897170 ATZLMDRQTDIAJJ-MXASKKJJSA-N 386.456 -0.721 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C[C@H]2O)nn1 1023918950 CVXYYAZPXWHPAQ-AZGDMVHKSA-N 389.456 -0.029 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn(CCOC)n2)C1 1024888084 ASQAURDETKTMRE-MIGQKNRLSA-N 378.429 -0.578 30 20 GBED CON(C)C(=O)[C@H](CCSC)NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1116297688 QFPQGNDHGIPHKG-IVPXEPLCSA-N 399.473 -0.047 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@@H]1n1ccnn1 1129939657 QGJNRDJZLISKIL-RNGZQALNSA-N 386.456 -0.816 30 20 GBED CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCc2ccc(OCC#N)cc2)C1 1324327566 YHNVUMWNPIZGMP-AWEZNQCLSA-N 380.426 -0.645 30 20 GBED C#CCSCCNC(=O)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 1325434277 SCYBQRYQHYXIGF-UHFFFAOYSA-N 383.495 -0.165 30 20 GBED CC1(C#N)CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 1326994115 ZTOSPHKCKBWAFT-UHFFFAOYSA-N 375.473 -0.095 30 20 GBED O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cccc(C#CCO)c1 1331909408 GGRYGPRJFBASPG-IRXDYDNUSA-N 378.450 -0.742 30 20 GBED N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(S(N)(=O)=O)CC3)CC2=O)cc1 1333558374 XKAUXWVVNBHRET-ZDUSSCGKSA-N 377.426 -0.741 30 20 GBED COC[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C[C@H](C)O1 1335898171 BJKLXCGZBJUKCY-WMLDXEAASA-N 387.440 -0.136 30 20 GBED Cc1cc(NC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)nn1CCC#N 1343349585 GRLXZNIYCQHBCU-CQSZACIVSA-N 378.433 -0.805 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC[C@H]1N1CCN(C)CC1 1345974163 VZMDXOCAFAOUCU-GPMSIDNRSA-N 377.489 -0.652 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)C(=O)NCCN3CCCC3=O)CC2)nc1 1346357350 IMMRUCJLXCTFHM-UHFFFAOYSA-N 384.440 -0.223 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2cc(C)ncc2-c2nn[nH]n2)C[C@H]1OC 1573287998 QYFXBTBHMIFWRV-XNRPHZJLSA-N 385.428 -0.072 30 20 GBED C#CCNC(=O)[C@H](C)N1CCCO[C@H](CNC(=O)CCOCc2cnn[nH]2)C1 1574986092 RNZLOUVMFBSTPP-GOEBONIOSA-N 392.460 -0.944 30 20 GBED N#CCNC(=O)CN[C@@H]1CN(C(=O)CCCc2cnn[nH]2)C[C@H]1C(F)(F)F 1577710264 VELQOGPBVYORII-VXGBXAGGSA-N 387.366 -0.254 30 20 GBED C[C@](O)(CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)O 1589139219 OTDXJANVKMIVQY-KRWDZBQOSA-N 395.437 -0.089 30 20 GBED O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1 1592980233 ABKSDEYDHPEPJH-DGCLKSJQSA-N 385.384 -0.284 30 20 GBED C=CCOCC(=O)N1CCOC2(C1)CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 1602868613 RAHJHOMFTQHICR-UHFFFAOYSA-N 387.400 -0.549 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)nn1 1602882245 DPRWYUBEUVDAKF-GDBMZVCRSA-N 395.427 -0.381 30 20 GBED N#CCc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CNC(N)=O)CCO3)C2)cc1 1781794321 VPUJACMETOTEEY-IBGZPJMESA-N 385.424 -0.136 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3[nH]nnc3C)[C@H]2C1 1787183722 SHFFCJJRTIFJHV-AJNGGQMLSA-N 375.429 -0.255 30 20 GBED C=CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1797947243 ZBHHYTJRXMGNSN-DPYKFYPSSA-N 385.424 -0.220 30 20 GBED COC(=O)[C@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800774092 BZKLHIGFJVYMSR-CGEFAEBTSA-N 392.408 -0.747 30 20 GBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1800985917 QWLGQKFNERMARV-YFKTTZPYSA-N 376.442 -0.354 30 20 GBED C[C@@H](Cc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1801226967 AKWCAOPTRAZUJM-ZTENYAIWSA-N 385.420 -0.062 30 20 GBED CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1)C(=O)O 1801980393 XNMXKMDESBETHC-QVHKTLOISA-N 378.429 -0.667 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1 1831392009 HQDMUNYZEKBEOR-KDOFPFPSSA-N 376.413 -0.482 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1831424232 FJLURSZVSHKURD-SUMWQHHRSA-N 379.417 -0.534 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)ncn4)CCO3)C2)CC1 1831732659 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GBED N#Cc1cc(F)c(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c(F)c1 274651588 DNDAQYSDGJAVET-ZIAGYGMSSA-N 385.392 -0.248 30 20 GBED CCN1C[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)C[C@H]1C 349472702 HDQKEHPCVZPSFN-MJBXVCDLSA-N 380.536 -0.048 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CCCO1 349600798 JBJMAFYJOJVUPQ-OLZOCXBDSA-N 397.544 -0.254 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CC(=O)NCC1(C)C 349616518 LYHAKZYOVFROJN-GFCCVEGCSA-N 394.519 -0.520 30 20 GBED Cn1c(N)c(C(=O)CN2CCC[C@@]3(CCCCO3)[C@H]2C#N)c(=O)n(C)c1=O 366099418 YLYBLWHJVLKRNC-ACJLOTCBSA-N 375.429 -0.224 30 20 GBED C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 409556584 XOJXPHXKOBLDFL-AAEUAGOBSA-N 388.471 -0.204 30 20 GBED CCCCn1c(N)c(N(CC)C(=O)CN2CCO[C@@H](C#N)C2)c(O)nc1=O 436133783 SAROSJPPJRHNHO-LBPRGKRZSA-N 378.433 -0.092 30 20 GBED C=CCNC(=O)NC(=O)CN[C@@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C 471020798 VSKIGFDBVSAVNG-MRXNPFEDSA-N 391.476 -0.191 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(CC#N)CC(=O)OC)c1 524836865 ZNOMMPREJVRSJY-UHFFFAOYSA-N 398.441 -0.596 30 20 GBED CN(CCO)S(=O)(=O)c1ccc(C(=O)NCCn2cnc(C#N)n2)cc1 560757310 XGBQGENFNNSQQD-UHFFFAOYSA-N 378.414 -0.807 30 20 GBED CO[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C[C@H]1O 579250594 ZHWVXCIQEBLFCQ-LERXQTSPSA-N 381.410 -0.471 30 20 GBED Cc1nc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)cn1C 583846700 IUUKAZKPTZLEDC-ZDUSSCGKSA-N 394.501 -0.014 30 20 GBED CC1(C)CN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)C[C@@H](CO)O1 591545758 ZECCAGFUFGEBAP-HNNXBMFYSA-N 387.440 -0.400 30 20 GBED C[C@H](O)CN1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1 592792217 DNTVSKLYQKZIEV-KGLIPLIRSA-N 380.470 -0.250 30 20 GBED COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCO[C@@H](C#N)C2)cc1 611642920 BJMWQXDLQXREHL-INWMFGNUSA-N 395.437 -0.430 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CC1 728589353 BRUUURIPZWKYSD-UHFFFAOYSA-N 387.465 -0.072 30 20 GBED C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C 735375435 ZVHJDIIHSNVKQP-CYBMUJFWSA-N 395.466 -0.014 30 20 GBED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CO)C(=O)O 739234805 XLHZWWHFHNSPJA-LBPRGKRZSA-N 383.426 -0.153 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cc(=O)n(-c3ccc(C)cc3)[nH]2)CC1 746215771 PJLXWATUKRQSGZ-UHFFFAOYSA-N 381.436 -0.019 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)CC2(CC(=O)OC)CC2)CC1 752256920 YCUMANJEUKJSRI-UHFFFAOYSA-N 385.486 -0.583 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCNS(C)(=O)=O 766344298 YTMKZXXIBJLXAO-SNVBAGLBSA-N 375.428 -0.683 30 20 GBED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 773942350 CDSIEQACIQPLFG-GFCCVEGCSA-N 392.437 -0.774 30 20 GBED C=C(Br)CNC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 808471175 WXYWMAWEZXEKCX-NNYUYHANSA-N 396.241 -0.066 30 20 GBED C#CCN(CC(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1)C(=O)OC(C)(C)C 822266550 ZWAXZIMUTLEIBO-ZDUSSCGKSA-N 388.490 -0.112 30 20 GBED COCCN1C(=O)c2ccc(C(=O)N[C@@H]3CNC[C@H]3C#N)cc2S1(=O)=O 834493128 AYWKKVBKZASRDD-DGCLKSJQSA-N 378.410 -0.681 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CC1 841481496 VFDGKDJSTYKNDL-UHFFFAOYSA-N 396.400 -0.684 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1CCC[C@]12CCOC2=O 848970199 QATPWEVPYPZWAL-CQSZACIVSA-N 393.487 -0.337 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](C)C1 949470079 BDLDDMPKIVFADY-OEUWWYETSA-N 392.456 -0.175 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2coc(C(N)=O)c2)C1 1024736349 OFCOBPYWHGNQEP-JLNYLFASSA-N 377.397 -0.339 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 1024997323 KSLPWTRNNDMUME-TUVASFSCSA-N 386.412 -0.593 30 20 GBED C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCO[C@H]3CC)C2)CC1 1025047705 CLIRNHNOKNJYQO-TVFCKZIOSA-N 377.485 -0.165 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@H]1O 1025710594 XHUYMYTZZUAHPB-SYQHCUMBSA-N 386.470 -0.767 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(O)(CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1 1074736252 LMXWWDCCUUNLPP-FPCVCCKLSA-N 393.484 -0.038 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCC(=O)NC1 1110751659 ZNTVFNDNPWJKNE-SYQHCUMBSA-N 377.445 -0.754 30 20 GBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1117533467 BREFFPVJJHRANB-XJKSGUPXSA-N 397.435 -0.536 30 20 GBED C#CCNC(=O)CN1CCn2ncc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)c2C1 1128410378 LIZABIMWTMHXGF-KSTXQTNUSA-N 383.452 -0.512 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)N2CCC(O)(CO)CC2)CC1 1261626226 NDJSXPZBHCXNAF-UHFFFAOYSA-N 378.454 -0.386 30 20 GBED N#Cc1cn(CCNC(=O)CC2(N3CCOCC3)CCCC2)c(=O)nc1O 1301212721 XLWITWOJJAURQB-UHFFFAOYSA-N 375.429 -0.028 30 20 GBED Cc1ccc(C(=O)NC[C@H](O)CN2CCCC2=O)cc1S(=O)(=O)NCC#N 1319299316 NLXMRVKXWDFUPE-AWEZNQCLSA-N 394.453 -0.490 30 20 GBED O=C(COC(=O)CC#Cc1ccccc1)NC(=O)N[C@H]1CCS(=O)(=O)C1 1319993218 DFWBJVVSAQVPLP-AWEZNQCLSA-N 378.406 -0.016 30 20 GBED CCN(C[C@@H](C)C#N)C(=O)Cn1cnc2c(c(S(C)(=O)=O)nn2C)c1=O 1321036348 WIOJUNCAIJQUHW-JTQLQIEISA-N 380.430 -0.458 30 20 GBED C[C@H](O)CN1CCN(C(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CC1 1327220841 NCZGQLOXIJGOQD-YJBOKZPZSA-N 386.452 -0.017 30 20 GBED COc1ccc(CNC(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1C#N 1338593710 XXZVTJVONWUHEB-LBPRGKRZSA-N 394.453 -0.325 30 20 GBED C=CCn1c(C2=NNC(=O)C2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1338946137 LNRBPVFGECPNDX-UHFFFAOYSA-N 388.476 -0.322 30 20 GBED C#CCN1CCC(C(=O)NC[C@@H](C)N[C@H](C)C(=O)NCc2cnn[nH]2)CC1 1574966412 BJZUHOYESZBPRX-ZIAGYGMSSA-N 375.477 -0.751 30 20 GBED C#CCNC(=O)[C@@H](C)N1CCCC2(CN(C(=O)[C@@H](C)OCc3cnn[nH]3)C2)C1 1574985895 ONEQOVSUNLXVOM-HUUCEWRRSA-N 388.472 -0.228 30 20 GBED C#CCO[C@H](C)C(=O)N(CC)[C@H]1CCN(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575004946 QIOUCJDKEVANCP-HIFRSBDPSA-N 390.444 -0.701 30 20 GBED C#CCO[C@H](C)C(=O)N[C@H]1C[C@H](NC(=O)C2CCN(Cc3cnn[nH]3)CC2)C1 1575013809 UQILBRYEAQNFFC-FVQBIDKESA-N 388.472 -0.182 30 20 GBED CCO[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1CNC(=O)[C@@H](C)C#N 1578382013 NNIKELIBIFDYJW-ZKYQVNSYSA-N 386.416 -0.052 30 20 GBED Cn1ncnc1C1(O)CN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 1592606812 LCKHFJUGFKZTOL-CYBMUJFWSA-N 379.384 -0.593 30 20 GBED O=C(NCCN1CCN(C(=O)C#CC2CC2)CC1)c1ccc(-c2nn[nH]n2)[nH]1 1593082236 MSZKTTWMQVEKTD-UHFFFAOYSA-N 382.428 -0.518 30 20 GBED C[C@@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3cncc(-c4nn[nH]n4)n3)C2)CC1 1602982135 PCFDWDHLXXCDTK-QWHCGFSZSA-N 382.432 -0.461 30 20 GBED C=C(C(=O)N1CC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1)C(F)(F)F 1783203121 SZSIRDIYBUAMRR-XHDPSFHLSA-N 392.378 -0.472 30 20 GBED C=CC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1790826101 NVVCHCPCIUGTLX-QPSCCSFWSA-N 392.456 -0.270 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2 1793355990 WVLZILZMIPFYBC-FMSGJZPZSA-N 392.412 -0.318 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2cnccc2n1 1796893934 LAUXYLPIDCJHMD-HBCWATKFSA-N 394.387 -0.079 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nncn2c1 1797462301 GWDYSZFPJPIYGM-SCNOPHJPSA-N 397.435 -0.029 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n(C)n1)C2 1797707363 KFRROMVGBTVUFM-FAXLKDOZSA-N 392.456 -0.098 30 20 GBED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2)C(F)(F)F 1800548429 GUAIBRUCAIBXSL-PEGIJTEDSA-N 384.376 -0.261 30 20 GBED CC[C@@H](NC(N)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1817996025 DIROYVMZRZDMQO-ZYHUDNBSSA-N 390.400 -0.063 30 20 GBED CC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)C(C)(C)C 1834755971 PAKKJQDQMBTMBD-QFBILLFUSA-N 394.472 -0.093 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)C1 1836203960 UQTWCSRFKOCRFL-GOSISDBHSA-N 375.429 -0.299 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836206527 QOHPGNPVNHYCSA-QAPCUYQASA-N 393.444 -0.674 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1837396557 JELHMWYRLQYUME-QOIOWGMHSA-N 396.484 -0.213 30 20 GBED CO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742075 PPEQJJZUJDQHHG-SCLBCKFNSA-N 376.413 -0.009 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1840158376 KUXFMDMYTCHOHS-FZKQIMNGSA-N 395.481 -0.226 30 20 GBED COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840319877 NZKDPHUJFSRZFI-QGZVFWFLSA-N 380.401 -0.897 30 20 GBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845825392 XDVYEAUGJAXAFA-UHFFFAOYSA-N 388.336 -0.952 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 268710903 DQZJGOLLMOBQNT-ABAIWWIYSA-N 385.467 -0.082 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(OCC)nc2)CC1 273189773 MUWDZTJODOGIJU-UHFFFAOYSA-N 380.470 -0.074 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCc1ccc(S(N)(=O)=O)c(C)c1 282280844 KUTUUIOENQEQBS-UHFFFAOYSA-N 390.487 -0.161 30 20 GBED C=CCn1c(=O)/c(=C/c2ccnn2C)s/c1=C(\C#N)C(=O)N[C@@H](C)COC 298325702 VYHXERSREQNHIN-ZUSTZUTDSA-N 387.465 -0.517 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)NCCCN2CCCCCC2=O)c1=O 298792491 QDIHWFJIZXEMMZ-UHFFFAOYSA-N 375.429 -0.190 30 20 GBED C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)C1CC1 349476727 PMVIIOYXEJLSKA-GFCCVEGCSA-N 392.503 -0.813 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)N2CCC(O)(CN3CCOCC3)CC2)cc1 368735507 CFHAFWYMBHLILB-UHFFFAOYSA-N 386.452 -0.026 30 20 GBED C[C@H](O)CN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H](C)CO 372737240 IFUOVQPBRNBCCY-RYUDHWBXSA-N 389.387 0.412 30 20 GBED Cc1cccc(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)c1C#N 415848900 DPUNDYIVYOOCBE-UHFFFAOYSA-N 391.453 -0.749 30 20 GBED CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 420145201 NGSDWPRIVWWRQI-AWEZNQCLSA-N 375.477 -0.118 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCC(C)(C)C(=O)O)CC2)c1C#N 424477883 CAEJLBSBTVQRTK-UHFFFAOYSA-N 390.444 -0.134 30 20 GBED CN(C)S(=O)(=O)N[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)C1CCCC1 450803135 AHPSTYICCYEUBT-CYBMUJFWSA-N 398.489 -0.678 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)CCSc3nnnn3C)CC2)c1C#N 472666922 BQKFMKAXMDDQIY-UHFFFAOYSA-N 375.462 -0.045 30 20 GBED COc1ccccc1NC(=O)CN1CCN(C(=O)NCC(=O)NCC#N)CC1 511924115 SLJHETQFXWKDRC-UHFFFAOYSA-N 388.428 -0.399 30 20 GBED CCC1(CC)NC(=O)N(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1=O 530264782 DAFKLIXHTXRSHJ-UHFFFAOYSA-N 388.384 -0.686 30 20 GBED CN(CCC#N)S(=O)(=O)N1CCN(C(=O)N2CCC(C(=O)O)CC2)CC1 548216269 IZZSZYJRXAQFDY-UHFFFAOYSA-N 387.462 -0.389 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)OC)cc1 583510189 JWGKYQXRCOLZLU-UHFFFAOYSA-N 375.428 -0.328 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCO)CCOCCO 600116749 NSYJKFUWMQKANV-CYBMUJFWSA-N 385.442 -0.945 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1C[C@@H](O)C1 600762377 WWNYIVYTRUYSHZ-BETUJISGSA-N 398.466 -0.226 30 20 GBED Cc1nc(S(=O)(=O)NCCC(=O)NCCNc2ccc(C#N)cn2)cn1C 725883642 LYRRERFJSBVBHR-UHFFFAOYSA-N 391.457 -0.108 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](CCC(N)=O)C2)c1=O 727167413 OAOXFBVNXBSCJZ-AWEZNQCLSA-N 377.445 -0.521 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCNC(=O)c2n[nH]c3ccccc23)CC1 728608631 LKVQXGXMLDKPRD-UHFFFAOYSA-N 396.451 -0.424 30 20 GBED CNC(=O)C1(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 730043115 UGELQWOASYJODK-UHFFFAOYSA-N 375.385 -0.427 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NC[C@H]2Cc3ccccc3O2)CC1 761029017 MNYRXJGJGILRGH-MRXNPFEDSA-N 392.481 -0.809 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)NN=Cc2cn(CC(=O)O)nn2)cc1 768485164 RWQMDFIUSHAJKR-UHFFFAOYSA-N 381.370 -0.148 30 20 GBED CCOC(=O)CON=C(C(=O)N1CC(=O)N(CC(F)(F)F)C1)c1cc[nH]n1 772655206 GJTDGEYYHMIZMW-UHFFFAOYSA-N 391.306 -0.116 30 20 GBED CN(C)S(=O)(=O)CCCOC(=O)CNS(=O)(=O)c1cccc(C#N)c1 795325176 VJRAVHMXSJOHKC-UHFFFAOYSA-N 389.455 -0.339 30 20 GBED Cn1cc(S(=O)(=O)NN=C2CCCc3nc(N)sc32)c(=O)n(C)c1=O 814883611 TYCSNUXLFRJHAG-UHFFFAOYSA-N 384.443 -0.858 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CO)CN1CCCC1 816626071 UNFZQHDHGBRVJD-CYBMUJFWSA-N 380.470 -0.312 30 20 GBED C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 824397861 BCCOCPBHBJTDFG-GFCCVEGCSA-N 389.412 -0.434 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C23CCC(C(=O)OC)(CC2)C3)CC1 831574484 ILMSBBGMRGAPLK-UHFFFAOYSA-N 383.470 -0.278 30 20 GBED S=C(NCCCN1CCOCC1)NN=Cc1cn(C[C@@H]2CCCO2)nn1 872330267 KIMSCXSKVMMKAV-HNNXBMFYSA-N 381.506 -0.023 30 20 GBED CCN1CCN(CC(=O)[C@@H](C#N)C(=O)NCc2ccc(OC)cc2)C(=O)C1=O 917038342 MHTCHKZFHDMLSV-OAHLLOKOSA-N 386.408 -0.289 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)nc2OC)C[C@@H]1O 964615337 NGTOAILPIOLKIH-RZFFKMDDSA-N 378.429 -0.289 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 981448004 KXBDKOYJSHTXEO-IVSAIRAKSA-N 391.472 -0.036 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(S(C)(=O)=O)o2)C[C@H]1O 1077698873 DNSGCQKWXMBKGY-TUVASFSCSA-N 384.454 -0.065 30 20 GBED Cn1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)n1 1298843571 ZURVVXASLOFWRL-GXTWGEPZSA-N 391.457 -0.309 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCC[C@H]1CN1CCCC1 1326596066 IGEDGDIFLULFOJ-VUAZUDAXSA-N 389.456 -0.284 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H]2OC(=O)c3ccccc32)CC1 1332384815 QZRMHRVYCUTXCT-HNNXBMFYSA-N 377.422 -0.100 30 20 GBED N#CCN1CCC(NC(=O)C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC1 1341933589 HOQBLYDLHPGIET-LJQANCHMSA-N 399.495 -0.026 30 20 GBED C#CCO[C@H](C)C(=O)N1CC2(CCCN([C@@H](C)C(=O)NCc3cnn[nH]3)C2)C1 1575005104 UVIRNEXAMDEIED-LSDHHAIUSA-N 388.472 -0.228 30 20 GBED COCC#CCN1CC[C@H](N2CCN(C(=O)[C@H](C)OCc3cnn[nH]3)CC2)C1 1576953480 OBRASPZJQOEGGJ-WMZOPIPTSA-N 390.488 -0.422 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(N(CCO)C2CCN(C(=O)[C@H](C)C#N)CC2)n1 1580642935 JHBYJPXAQKBUFI-LLVKDONJSA-N 385.432 -0.086 30 20 GBED C=C[C@@](C)(O)CC(=O)NC1(CO)CCN(c2cncc(-c3nn[nH]n3)n2)CC1 1588500771 CSHRTQSVXUJERI-MRXNPFEDSA-N 388.432 -0.569 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)NCc1cc(-c2nn[nH]n2)ccc1F 1588502537 SZNXUVDEMXETES-CXAGYDPISA-N 378.408 -0.100 30 20 GBED C[C@@H](NC(=O)COC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N(C)C 1589923005 FKKPIBCFSVJSPK-RISCZKNCSA-N 399.411 -0.315 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C 1602721765 VMIFLHZBWGNSAA-MCIONIFRSA-N 381.444 -0.305 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(-c4nn[nH]n4)ccc32)C1=O 1602862043 AEJNRLUIYIFBMI-UHFFFAOYSA-N 381.352 -0.267 30 20 GBED C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccnc1-c1nn[nH]n1 1609020742 GEFXPYBTRDVGRD-JTQLQIEISA-N 382.427 -0.927 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](CC)NC(N)=O)CCO2)C1 1778971311 NDIAYJRJTCAGML-TYILLQQXSA-N 396.488 -0.164 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2 1781267936 BMFOSOLINXYYRG-HNAYVOBHSA-N 377.441 -0.146 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CC)C[C@@H]21 1783528200 IKBCVVIKNFQTMZ-VIDVPJGOSA-N 379.457 -0.405 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cnnn3)C[C@@H]21 1784481358 OIBNLUISXBNHFC-QRJUGERDSA-N 390.444 -0.748 30 20 GBED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nccnc4C(N)=O)[C@H]3C2)CC1 1789091154 OKCINEVBGPXIIU-AVGNSLFASA-N 398.423 -0.527 30 20 GBED Cn1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)n1 1794592041 VHSBBGIVCMVIHF-BTTYYORXSA-N 389.460 -0.700 30 20 GBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnncc1C(=O)O 1798103485 QWIXVMSXVNNEDP-XHSYRHOGSA-N 380.426 -0.304 30 20 GBED C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2)n1cnnn1 1826985642 WACLZRNGMRTCTB-IUCAKERBSA-N 389.397 -0.609 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NNC(=O)C4)C3)C2)C1 1829669214 RYTAFMHBBXCSFI-SFHVURJKSA-N 376.413 -0.715 30 20 GBED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835355249 ZRGKBWBSTAJSRS-IBGZPJMESA-N 394.472 -0.091 30 20 GBED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)nn1 1838346944 AHSDBMZASGFQTO-QGZVFWFLSA-N 375.385 -0.531 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(CC)COC1)CCO2 1839775711 QHLCBHSONBUTGI-OXQOHEQNSA-N 394.468 -0.092 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1840161777 ALLUIHFNNJWDFQ-BZNIZROVSA-N 382.442 -0.430 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1840164527 MZTRBQDOJLYJPC-IAQYHMDHSA-N 392.499 -0.421 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2 1845253851 HVVYHAPOHYEYLO-GOEBONIOSA-N 382.461 -0.359 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846460360 FTFBCQWUCWCBHP-ZDUSSCGKSA-N 375.425 -0.312 30 20 GBED COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 264201245 UKRXVALGMOAVDU-LBPRGKRZSA-N 395.437 -0.293 30 20 GBED N#C[C@@H]1CN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 269469641 UFTRRSXUZIMPES-OAHLLOKOSA-N 394.453 -0.130 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)C1=O 283636503 UIUCWXHOVUVIAT-SJORKVTESA-N 393.532 -0.380 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)C1=O 286312173 FGXWPHQUWLPVMX-SNVBAGLBSA-N 392.334 -0.658 30 20 GBED C=CCn1c(=O)/c(=C\c2ccncc2)s/c1=C(/C#N)C(=O)N1CCOCC1 298753479 NEZQSVXGLVGLLS-DWDLIVHFSA-N 382.445 -0.147 30 20 GBED C[C@H]1CN(C(=O)Cn2cc(N/C(O)=N/C[C@]3(O)CCOC3)cn2)C[C@@H](C)O1 328835553 MIOLFVYLUYCPJH-IIYDPXPESA-N 381.433 -0.004 30 20 GBED C[C@H](/C(O)=N/[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 329135343 QNYFJLPVPLRGPI-CPUCHLNUSA-N 387.502 -0.032 30 20 GBED CN1C(=O)[C@]2(CCN(/C(O)=N/[C@@H]3CCCN(c4cnn(C)c4)C3=O)C2)N=C1O 329282844 NCBBNUGFGVUUTF-SJKOYZFVSA-N 389.416 -0.340 30 20 GBED CC[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)C[C@H]1O 349468927 WDZGGXGLYQDWCN-QWHCGFSZSA-N 381.520 -0.027 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@]2(CCOC2)C1 349496357 MVCOLMXCEATSLC-UONOGXRCSA-N 379.504 -0.008 30 20 GBED C[C@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)Nc1ccc(=O)n(C)c1 349571672 FYPLNLPPJOAKFB-LLVKDONJSA-N 376.460 -0.404 30 20 GBED COc1ccccc1N1CC[C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1=O 409516321 WWIFYRZRYFMEGW-QWHCGFSZSA-N 380.426 -0.141 30 20 GBED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1CNCCCO1 420179390 BOPGNKPCQFUDGL-SFHVURJKSA-N 387.484 -0.057 30 20 GBED C[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CCS1(=O)=O 429842334 CRAHAXRNHDHAED-LLVKDONJSA-N 381.458 0.484 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H](S(N)(=O)=O)C2)n1 437355158 UGQNMIFXHFLOFX-NSHDSACASA-N 382.446 -0.272 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN(CCO)C3CCOCC3)CC2)o1 444761892 XYDKXXCIWJTEGX-UHFFFAOYSA-N 377.445 -0.023 30 20 GBED Cc1cc(C#N)cc(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 453732387 VSWNHYOJHGUGIQ-UHFFFAOYSA-N 382.384 -0.837 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CC(=O)N(C(C)C)C1 460687971 HCTQDBLTGWIFMK-AWEZNQCLSA-N 395.423 0.511 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)c2nnn(Cc3cc(C)on3)c2C)CC1 503694370 FZFCIMCJGKOAJJ-UHFFFAOYSA-N 387.444 -0.009 30 20 GBED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)cn1 514664141 FKMRQJGELVYWBB-CYBMUJFWSA-N 394.457 -0.331 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1 545370624 WENSURBUCVCWFZ-CYBMUJFWSA-N 378.410 -0.473 30 20 GBED C[C@H]1CC(=O)NCCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 588866441 XJVRWGQFXLCKJF-XJKSGUPXSA-N 397.435 -0.093 30 20 GBED COCc1n[nH]c(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n1 598049203 GSYIDJXLTCNFGE-JTQLQIEISA-N 378.414 -0.194 30 20 GBED N#CCN1CCN(C(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)CC1 737695181 KKUFGZQLLFYIAR-UHFFFAOYSA-N 378.400 -0.084 30 20 GBED N#CCn1cc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cn1 746354501 TXNNVOPBMGYZFY-QGZVFWFLSA-N 382.424 -0.119 30 20 GBED COC(=O)[C@@H](O)CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 765388603 ISMKTWJIJYIVEE-ZDUSSCGKSA-N 397.453 -0.064 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCN1C(=O)CNC1=O 767628342 QLLCWXTZRJEHCA-SNVBAGLBSA-N 380.382 -0.680 30 20 GBED C#CCN1CCN(C(=O)CN2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)CC1 779841631 HZMDRWRRPKRSSV-INIZCTEOSA-N 399.455 -0.379 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cnc(N3CCOCC3)s2)C1=O 786150654 PQGPDWCFQGZUQV-UHFFFAOYSA-N 393.425 -0.427 30 20 GBED COC(=O)C[C@H]1CCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1C 794524380 XVZHOCIABJSIAU-NXEZZACHSA-N 386.430 -0.673 30 20 GBED N#CCN(CC(=O)O)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 833065545 CQABCOVONABPBG-UHFFFAOYSA-N 398.416 -0.431 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCN1C[C@@H]2CC[C@H](C1)O2 836863823 FBSYYDHLEQKSHL-BETUJISGSA-N 378.454 -0.296 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(F)C(=O)N(C)[C@H]2CCN(CC=C)C2=O)C1=O 868015660 BOXMZMZJQIVDHR-KBPBESRZSA-N 394.447 -0.185 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@]2(Cc3ccccc3)CCN(C)C2=O)CC1 874342774 JRSOIGORHQBAMC-JOCHJYFZSA-N 396.491 -0.029 30 20 GBED C#CCSCC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 895777421 SVAFYZAVLCWMCS-GFCCVEGCSA-N 380.513 -0.986 30 20 GBED CNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918245121 KSGOIEJPERPPKW-MOSHPQCFSA-N 395.441 -0.700 30 20 GBED Cc1nc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)nn1-c1nc[nH]n1 1004560815 KLRRWEXQJNSZBJ-MCIONIFRSA-N 380.412 -0.031 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3nc(O)[nH]c3n2)C1 1025325917 IPJQLCAEUUSDLH-JXJLXUTGSA-N 387.396 -0.444 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(C)c(O)n1 1109672604 MNYVKUATWRZRKT-MDZLAQPJSA-N 376.417 -0.527 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnn(C)n1 1109841568 TYYTWUXRPONJJI-OPDFLTKYSA-N 375.433 -0.450 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCNC(=O)C2CC2)C[C@@H]1n1ccnn1 1129266996 SSNBWLQEQORVPU-NCOADZHNSA-N 388.472 -0.263 30 20 GBED CC(=O)N1CCN(c2ccccc2CNC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1257617186 CDNXULJCYZLTRJ-QGZVFWFLSA-N 399.451 -0.278 30 20 GBED C=CCn1c(C2CC(O)C2)nnc1N1CCN(CC(=O)NCCOC)CC1 1262960079 SEDUWQBSHZTVCJ-UHFFFAOYSA-N 378.477 -0.413 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 1319862116 BBIVUYUWXAABIF-UHFFFAOYSA-N 388.424 -0.048 30 20 GBED C=CCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1327781503 AINHPXOLKMAKSN-UHFFFAOYSA-N 395.481 -0.021 30 20 GBED C=CCN(C)C(=O)C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1328821345 CEHVUOQLBKYTSC-UHFFFAOYSA-N 384.414 -0.024 30 20 GBED CN(C)C(=O)CC1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1330470390 DNFJHFSUQFDHCD-MRXNPFEDSA-N 375.473 -0.098 30 20 GBED CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1349259346 OCHGGQRSRLSEHU-UGSOOPFHSA-N 396.444 -0.384 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCS(=O)(=O)[C@H]3COCC[C@@H]32)CC1 1473537300 UQTAAQMFIKLYTN-ULQDDVLXSA-N 398.529 -0.433 30 20 GBED C#CCNC(=O)[C@@H](C)NC[C@@H](C1CC1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573285444 IEXLTNMYTLBVJQ-ABAIWWIYSA-N 384.444 -0.227 30 20 GBED C=CCOCC(=O)N1CCC(N(Cc2cnn[nH]2)C(=O)Cc2nc[nH]n2)CC1 1575108255 IRMMANLTBKQFBT-UHFFFAOYSA-N 388.432 -0.312 30 20 GBED C=CCOCC(=O)N1CCCO[C@@H](CNC(=O)[C@@H](C)OCc2cnn[nH]2)C1 1575108927 RZLWPXXIEALPBL-HIFRSBDPSA-N 381.433 -0.354 30 20 GBED CCCS(=O)(=O)NC1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1577694656 PFWPMFIJGGRKIC-UHFFFAOYSA-N 377.434 -0.173 30 20 GBED COC[C@]1(C(=O)O)CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 1593961411 BCDOVODCQUZSMN-INIZCTEOSA-N 381.410 -0.214 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1 1603131956 OYUMKZFMSZPAPN-VHSXEESVSA-N 375.428 -0.029 30 20 GBED O=C(O)[C@@H]1C[C@H](O)CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1608603466 XQVUDLFZIQWGLR-MNOVXSKESA-N 381.410 -0.591 30 20 GBED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H](NC)C(=O)O)C2 1783164606 NUPKKQXWCNZHJA-QMTMVMCOSA-N 379.457 -0.024 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn3ccsc3n1)CCO2 1783565060 OYTNQUXICHIJKJ-QGZVFWFLSA-N 388.405 -0.073 30 20 GBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@H]2C1 1784805648 NUXKDINKGXORGW-JYJNAYRXSA-N 387.436 -0.305 30 20 GBED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 1791260781 UGVHRTDBGBSHCE-RFGFWPKPSA-N 395.481 -0.401 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)c1ccc(C)cc1)C2 1800451691 CAOFNDMTACCJLO-CCWDJLKJSA-N 390.461 -0.008 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)n[nH]2)[C@H]1c1cccnc1 1812877818 ARUWEUYSEWOZST-SJCJKPOMSA-N 383.364 -0.082 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)C[C@@H](NC)C(=O)O)C3)C2)C1 1829666351 CJSUHIGRLODHEF-BEFAXECRSA-N 395.456 -0.528 30 20 GBED Cc1occc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834142554 BQRKVKDZSOJQSJ-GOSISDBHSA-N 376.365 -0.254 30 20 GBED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)o1 1836022744 OOFLEUGRCKZOOS-GOSISDBHSA-N 389.412 -0.319 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)n3ccnc3n1)CCO2 1839550415 IQTPYSNENBHMAR-IBGZPJMESA-N 383.408 -0.259 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839767130 XZBWAAPHMZVCAN-UJUYVFTQSA-N 395.431 -0.341 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cncn3)C2)C1 1840844554 BPPNLPFEJYRGRN-YJBOKZPZSA-N 375.429 -0.291 30 20 GBED N#Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)C[C@H]3NC(=O)NC3=O)C2)cc1 1841957966 OXNYAJGUVKQWPT-OAHLLOKOSA-N 395.419 -0.098 30 20 GBED C#CCCN1CCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 127269527 XVHPYZCVNSBSGZ-UHFFFAOYSA-N 376.482 -0.136 30 20 GBED CNC(=O)[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCO1 272764825 GKMJFEVDTQAEDU-BXUZGUMPSA-N 380.426 -0.802 30 20 GBED C#CCN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 283626526 OCGIAAYVWYSVQC-UHFFFAOYSA-N 395.437 -0.254 30 20 GBED CCOC(=O)C1=C(Cn2c(=O)c(C#N)cn(C)c2=O)NC(=O)N[C@H]1c1ccco1 298302640 KWCHHXSCHQZESG-AWEZNQCLSA-N 399.363 -0.117 30 20 GBED CCNC(=O)CN1CCN(/C(O)=N/[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 330733525 KEIAYGHJRQJJKS-LLVKDONJSA-N 379.383 -0.183 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](N2CCCC2=O)C1 349463297 MDYKMTKWCVRVIB-ZDUSSCGKSA-N 392.503 -0.812 30 20 GBED CN(C1(C#N)CCC1)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](CO)C1 349500005 CJVOZHURXUHJED-CYBMUJFWSA-N 379.504 -0.272 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C2(C#N)CCC2)C[C@H]1CO 349525674 PBKJJTABMDSSAZ-KGLIPLIRSA-N 393.531 -0.026 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)CCO1 409589654 VHQMOPMGBOXDCX-HZPDHXFCSA-N 378.454 -0.065 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCO[C@@H](COCC3CC3)C2)C1=O 410883218 MERWBCBCVZUZTE-CVEARBPZSA-N 379.457 -0.114 30 20 GBED COC(=O)[C@H]1CN(C)CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 411919158 PMURXKJYPTULBO-IRXDYDNUSA-N 379.505 -0.285 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@@H]4CNC[C@@H]43)C2=O)cc1 418904087 IQERKPLDPBMKNB-PVAVHDDUSA-N 381.436 -0.010 30 20 GBED C=CCOC[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)OC 481605239 NJINTVRLQMJOBE-CYBMUJFWSA-N 382.394 -0.065 30 20 GBED CN(C)C(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 564407366 HRZYCWYWBHOSOU-UHFFFAOYSA-N 379.442 -0.338 30 20 GBED O=C(NCC#CCNC(=O)c1cc2n(n1)CCCO2)c1cc2n(n1)CCCO2 683337102 XNMSLAIBNHAOSE-UHFFFAOYSA-N 384.396 -0.192 30 20 GBED N#Cc1ccc(NC(=O)COC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1 749327817 NUMLQJMTVZACNF-UHFFFAOYSA-N 377.382 -0.026 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)OC)CC1 772689653 BTGRQFJAGXWCHD-HOTGVXAUSA-N 399.513 -0.195 30 20 GBED Cn1c(=O)c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccn3)n(C)c2n(C)c1=O 789404906 KKYKHAICKJRGQQ-LLVKDONJSA-N 380.364 -0.068 30 20 GBED C=C(Br)CNC(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 805368507 GKKDCZYVYWOXMB-UHFFFAOYSA-N 375.267 -0.320 30 20 GBED C#CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 806914766 YUDBYJLDRZUMDN-UHFFFAOYSA-N 381.458 -0.909 30 20 GBED C#CC[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C(=O)OC 841540626 NIMJODVPTWDLRB-CQSZACIVSA-N 386.451 -0.030 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCc2cnnn2C)cc1 848942489 MXFIRFZFMOTNRE-UHFFFAOYSA-N 384.443 -0.562 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)NCC)cc1 848943313 UCVNJPUMIOOUDS-UHFFFAOYSA-N 398.466 -0.752 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CCN1CCOCC1 960636537 XJBNBYKHVDGMCF-VSZNYVQBSA-N 393.484 -0.262 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2ccon2)C1 990833267 JCOROULMJSKIKL-WCVJEAGWSA-N 386.412 -0.032 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCCOCC 1109414783 KVNNJJCTHZYTIV-OWSLCNJRSA-N 376.501 -0.042 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@H](C)NC(N)=O 1110557987 YWVFPEMRHWVKFU-YJNKXOJESA-N 378.477 -0.083 30 20 GBED C[C@@H]1CC[C@@H](C)N1CCN1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1117854276 MOLXFMJLBTUOEK-BRWVUGGUSA-N 377.489 -0.246 30 20 GBED CN(C)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1298003213 FYKDRAYWQRTRAY-KBPBESRZSA-N 386.460 -0.506 30 20 GBED Cc1ccc(C(=O)NCc2nnc3n2CCOC3)cc1S(=O)(=O)NCC#N 1321853969 LHVUNMPEDRUEDG-UHFFFAOYSA-N 390.425 -0.151 30 20 GBED CCOC1CC(CNC(=O)NCCn2cnc(C#N)n2)(N2CCOCC2)C1 1322853391 BUOYPJQHCVMUPK-UHFFFAOYSA-N 377.449 -0.281 30 20 GBED C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)[C@H]1CCCO1 1323573176 XUJIFFYXMQMIMW-JWXAPSBJSA-N 376.413 -0.880 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)CC1 1324039418 PDRBKCHMIPVIKV-INIZCTEOSA-N 392.500 -0.409 30 20 GBED 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C#CCO[C@H](C)C(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nn[nH]n2)s1 1588355252 GHUIJVVQVISWMG-HTQZYQBOSA-N 385.837 -0.096 30 20 GBED C#CCO[C@@H](C)C(=O)NC1(CN=c2cc[nH]c(-c3nn[nH]n3)n2)CCOCC1 1588355477 INOWMWDZGCLZNW-LBPRGKRZSA-N 386.416 -0.806 30 20 GBED Cc1c(-c2nn[nH]n2)c(=O)n(Cc2cn3ccccc3c2C#N)c(=O)n1CCO 1591794737 CQBQTJHFQAXUHM-UHFFFAOYSA-N 392.379 -0.337 30 20 GBED COC(=O)C1(C#N)CCN(C(=O)N[C@H]2CCCCN(CC(=O)O)C2=O)CC1 1593814044 YALUOLFPJJNLMU-LBPRGKRZSA-N 380.401 -0.060 30 20 GBED C#CCOCCC(=O)N[C@@H]1CCN(c2cc(C)ncc2-c2nn[nH]n2)C[C@H]1O 1602729312 ODXQNIPZDNKRDT-GDBMZVCRSA-N 385.428 -0.334 30 20 GBED C=CCc1cc(C(=O)O)cc(OC)c1OC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 1602925867 DXUYQSMUOIFDAE-NSHDSACASA-N 383.378 -0.060 30 20 GBED Cn1c(=O)[nH]c(N2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)c(C#N)c1=O 1606202050 IBQMPADSJXETNS-UHFFFAOYSA-N 379.384 -0.548 30 20 GBED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC(=O)N(C)C[C@@H]1C(=O)O 1607968860 TURRTBJVVMYPOC-CQSZACIVSA-N 384.396 -0.096 30 20 GBED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)C(O)O)CCO3)c(C#N)c1 1781170873 BWVMSOJVSXOTKF-IBGZPJMESA-N 389.408 -0.750 30 20 GBED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782013335 GDPUPTLFKHUYFT-IQUTYRLHSA-N 391.424 -0.721 30 20 GBED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]2C1 1786645314 YBGCDEDYUHHNOO-ABHRYQDASA-N 392.543 -0.035 30 20 GBED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCN(C)CC3)[C@H]2C1 1786729617 SEDIPZOVXQPEFI-QZWWFDLISA-N 398.573 -0.078 30 20 GBED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CC(=O)NC2=O)C3)C1 1792437043 HFDVTAHSXFZIIC-YWVIFJGQSA-N 376.413 -0.906 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(COC)CC1 1793333948 FYYULVBPTWRYNX-FKJOCPDWSA-N 391.468 -0.139 30 20 GBED CS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)nc1 1794426067 MJGUYPLHPOOACP-DRXBFXEBSA-N 392.437 -0.398 30 20 GBED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)[C@@H]1C=CCN1 1796312165 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C[C@](O)(C/N=C(/O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)CN1CCOCC1 330109660 PLYFFAMWPRDOEQ-FZQIUNFVSA-N 377.441 -0.167 30 20 GBED C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ccc(C#N)cn1 349469686 RGYNSBZAMGVXIQ-DGCLKSJQSA-N 388.471 -0.130 30 20 GBED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C)C[C@H]1C 349481094 ZDXOISIFAXGSGL-OLZOCXBDSA-N 394.519 -0.664 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 349521543 TZYZXUSWCYXWDP-LLVKDONJSA-N 388.475 -0.155 30 20 GBED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 367165676 PAICTROFDIGTAB-ZIAGYGMSSA-N 396.535 -0.162 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)NC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 376365214 MEHDBPABUQBAQZ-LLVKDONJSA-N 389.478 -0.223 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 430401275 BPNYQFSYUUZGEB-AEFFLSMTSA-N 392.500 -0.150 30 20 GBED C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnc(OC)n2)c1=O 459796573 QZDNDAQBGRYBMG-UHFFFAOYSA-N 385.449 -0.078 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H](C)[C@](C)(C(=O)OC)C2)CC1 459881560 DKNPRUVOIDTHIA-AUUYWEPGSA-N 394.472 -0.910 30 20 GBED C=CCOC[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)OC 481562690 CUMYBHDLOSZNIZ-GFCCVEGCSA-N 383.382 -0.761 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 559536008 XLVONLVYFSTNBE-GREKMHCPSA-N 382.424 0.062 30 20 GBED CN(CCOCCO)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 566995416 GXAPJQBPBLEKDQ-MRXNPFEDSA-N 388.424 -0.757 30 20 GBED N#CCCN(C(=O)CCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O)c1ccccc1 576765752 PVEWNVHQJAITCE-HUUCEWRRSA-N 379.438 -0.012 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)O1 589478906 SOOURWUBYIDJHX-ZFWWWQNUSA-N 394.453 -0.411 30 20 GBED N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCOCCS(N)(=O)=O)C2)nc1 596623129 QVLPDHBYMHGNNB-CYBMUJFWSA-N 383.430 -0.579 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1C[C@H](O)COc1ccccc1C#N 599366621 QSGZVQNSPQGXSB-HOTGVXAUSA-N 391.424 -0.322 30 20 GBED 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ALOLXAYOLMYIEN-XBFCOCLRSA-N 382.380 -0.289 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1058918901 ONTFFOULDWFHSR-NCOADZHNSA-N 381.473 -0.038 30 20 GBED CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 1093004996 IAKXOWRLNHTZBY-MCIONIFRSA-N 378.458 -0.144 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCN(C)C1=O 1109622272 IYULYVSHFCNOMT-WCVJEAGWSA-N 375.473 -0.052 30 20 GBED Cc1nn(CCS(C)(=O)=O)c(C)c1C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 1116285239 BYVBZBZRVLMJFP-VOTSOKGWSA-N 394.453 -0.162 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)Cc1ccc(S(=O)(=O)CCO)cc1 1116838307 CYKIWYJAXMTICM-GFCCVEGCSA-N 398.437 -0.061 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1218657635 HWOGBZYRHRUNAY-RBGFHDKUSA-N 392.456 -0.523 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)CCN1C1CC1 1261924634 AYTHFBJSUFTXSN-YJBOKZPZSA-N 389.500 -0.198 30 20 GBED N#Cc1cn(CCC(=O)NC2CCN([C@H]3CCOC3=O)CC2)c(=O)nc1O 1295431430 ZQTHVOPBIYUSNV-ZDUSSCGKSA-N 375.385 -0.893 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)nn1CCC#N 1323256846 WHFZINVXGCCVGF-ZDUSSCGKSA-N 396.473 -0.169 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)C1 1326249894 QJTGAAPXPBNJHV-IBGZPJMESA-N 388.399 -0.013 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 1343080084 LPLWNURUHJSYGQ-MRXNPFEDSA-N 380.489 -0.150 30 20 GBED C#Cc1cncc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)c1 1573292705 ZYWXRXGHOREHFX-UONOGXRCSA-N 391.395 -0.597 30 20 GBED C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)CCOCc3cnn[nH]3)[C@H]2C)nn1 1575112205 QUAOXBCLISNVPO-TZMCWYRMSA-N 388.432 -0.092 30 20 GBED C[C@@H](C#N)C(=O)N1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H]2CCC(=O)NC2)CC1 1575176261 FJHLGWYAZHIDAI-QWHCGFSZSA-N 387.444 -0.190 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2O)cc1 1588370059 KUPOIQJUTYSMQU-CVEARBPZSA-N 391.391 -0.209 30 20 GBED C=CCCn1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[nH]n4)n3)C2)nn1 1588620814 IHEFHCOUURUFFT-NSHDSACASA-N 381.404 -0.167 30 20 GBED N#CCSCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O 1592679673 ZCSBUYSHBTYDLR-CABZTGNLSA-N 390.429 -0.857 30 20 GBED N#CCNC(=O)CN1CC=C(CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1606349930 LLBGEUOQPANNTN-UHFFFAOYSA-N 383.416 -0.413 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)Cn3cnc(C#N)c3-c3nn[nH]n3)CC2)o1 1609446695 NATDEIDXMLVTQF-UHFFFAOYSA-N 393.371 -0.548 30 20 GBED CS(=O)(=O)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CC1 1750191825 VPXYSOVOCULCEY-RYUDHWBXSA-N 394.457 -0.465 30 20 GBED CC(C)NC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1761261747 RBLRAAPUADTPBB-CYBMUJFWSA-N 375.433 -0.346 30 20 GBED CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1779035444 HKWMNFJZJXQSCZ-KRWDZBQOSA-N 381.502 -0.150 30 20 GBED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)C(F)(F)F 1781048467 QFCKDSYZTVDTJD-SLEUVZQESA-N 377.363 -0.342 30 20 GBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1783046138 JTCLFQOLDAHHNK-KUHUBIRLSA-N 395.456 -0.275 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784591181 AGSLDXCLTSOQCV-CPUCHLNUSA-N 378.433 -0.345 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnnn3C)C[C@@H]21 1788572074 ZVZMSUJLFZMWGR-DARAHFNDSA-N 391.472 -0.019 30 20 GBED C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNCP(=O)(O)O)C2 1793581376 MQFKSFBHJSULSG-YIYPIFLZSA-N 389.389 -0.060 30 20 GBED NC(=O)[C@H](N)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C/N=C/c1ccco1)C2 1796082376 AXBOEKUZMQHDDK-RQZFCFCASA-N 389.456 -0.071 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2 1800774353 WCXBGWWKUMQBBB-DBWKPXFBSA-N 397.391 -0.891 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)C1 1806003663 WQPNENNUJHHJGO-HOTGVXAUSA-N 392.500 -0.151 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)Cn2cncn2)[C@H]1c1cccnc1 1807604273 IGJPLSNJCGQSCA-KBXCAEBGSA-N 382.380 -0.533 30 20 GBED NC[C@H](N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/N1CCCCC1)CC2 1817071042 JLQXMLVKFGJDTE-VSGAHKJISA-N 393.517 -0.187 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)C1 1829661374 XDSWNQPEMKWKQO-YWZLYKJASA-N 391.468 -0.065 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@H]3F)C2)C1 1829762259 AXUTXNILHFVKDG-PHSMMYOYSA-N 395.431 -0.341 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1830064738 OVWLEPFRVVYPHY-SFHVURJKSA-N 390.444 -0.326 30 20 GBED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1831182532 KLIDBWIWVNGWBM-AUUYWEPGSA-N 392.456 -0.339 30 20 GBED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 1831673350 HVDHZFDYPUTQSG-HUUCEWRRSA-N 375.425 -0.170 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc[n+]([O-])cc4)CCO3)C2)CC1 1838333400 AGWBJUPXNGGJKB-LJQANCHMSA-N 386.408 -0.306 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3)C2)C1 1840044271 SIWBZQWNIYJSDF-DYVFJYSZSA-N 382.438 -0.574 30 20 GBED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1840292510 VBCFDALYZFESEQ-IBGZPJMESA-N 379.457 -0.275 30 20 GBED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840429831 FOAFZKBOHOOPBB-CRAIPNDOSA-N 375.429 -0.111 30 20 GBED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840920650 CQVSKLMDLMBOSQ-DNVCBOLYSA-N 394.472 -0.121 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](O)c1cnn(C)c1 268858869 DHALICFCQAGJGE-XHDPSFHLSA-N 377.426 -0.192 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1c1nncn1C 349508657 WRRPQKILHWIERR-NWDGAFQWSA-N 390.491 -0.497 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccc2C#N)CC1 349534476 GWPUBNNRIPJMMK-UHFFFAOYSA-N 387.487 -0.338 30 20 GBED CN1CCN(S(=O)(=O)CCCCS(=O)(=O)NCC#N)C(C)(C)C1=O 349624542 ULVUUFOFGMEGKJ-UHFFFAOYSA-N 380.492 -0.908 30 20 GBED C=CCNC(=O)CNC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 367607511 ICPFLFHSZBOGNP-BETUJISGSA-N 378.433 -0.057 30 20 GBED CNS(=O)(=O)c1ccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)s1 409580215 FDJMPRMVTVLPMI-SECBINFHSA-N 380.473 -0.785 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 460597291 IWFQUWRHFHUSRB-ZIAGYGMSSA-N 395.423 0.546 30 20 GBED N#Cc1cc(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)ccn1 476079920 MCBGUGVNACNQLD-UHFFFAOYSA-N 379.442 -0.276 30 20 GBED C=CCOC[C@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)OC 481589347 RRWAAESXYOKLIM-LBPRGKRZSA-N 378.428 -0.644 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)Cc1ccc(S(N)(=O)=O)cc1 520234610 UPEQBKKTLNRJLX-UHFFFAOYSA-N 380.470 -0.049 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(N)(=O)=O)cn1 539530084 IPQGKLZDRRQPPG-NSHDSACASA-N 387.425 -0.258 30 20 GBED CS(=O)(=O)N1CC[C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 566326765 DYOYFEWNJXAREB-CQSZACIVSA-N 378.458 -0.181 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)CC[S@@](=O)C1 579613696 ZQNQUMYDHDUWPW-VERVWZFWSA-N 399.560 -0.372 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)c1 581579834 SQJCFGHXKKTLKP-ZDUSSCGKSA-N 376.438 -0.036 30 20 GBED C[C@H](O)CN(C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1)[C@@H](C)CO 590993213 JCOKADFSPKUGHQ-KBPBESRZSA-N 375.429 -0.808 30 20 GBED COCCCNC(=O)[C@H](C#N)C(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744024313 RAIPBMWWAGQHLL-OLOXDWRXSA-N 377.397 -0.600 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@H](O)COc2cccc3[nH]ccc23)CC1 761029414 PDYBEFVPJGSMKF-HNNXBMFYSA-N 392.481 -0.007 30 20 GBED C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NCCNc1ncccc1C#N 787775498 PXESIQRNWLCNEA-NWDGAFQWSA-N 381.458 -0.239 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(/C=C\C(=O)O)cc2)CC1 825618918 HNQYUWNCMZJEJF-YVMONPNESA-N 391.449 -0.160 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CCCN2CCN(C(C)C)CC2)CC1 913788839 OVHWPNWCOOIFQH-UHFFFAOYSA-N 399.561 -0.596 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cn2c(O)nnc2O)[C@H](C)C1 949470444 YFDAXCCTAMXALZ-CZXHOFHRSA-N 379.417 -0.366 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(C)C(=O)C1 976877778 FFRIOVJEHKGGQU-VQHPVUNQSA-N 392.500 -0.105 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCC2)C[C@@H]1n1ccnn1 990962739 HCXSFASTVKZHJV-NCOADZHNSA-N 388.472 -0.167 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C)nc1 994388948 FFPBVUGDJFMJMB-QIJZBDPFSA-N 384.436 -0.080 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C(F)(F)F 1008579542 MQHJNMONFPMKNS-KKOKHZNYSA-N 388.350 -0.230 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@H]1C 1103450621 ZQUYVRJGBDQCFY-VQHPVUNQSA-N 392.500 -0.390 30 20 GBED CCc1noc(COCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)n1 1109959575 RAIYNARSPXMFPP-AGIUHOORSA-N 376.417 -0.490 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@]1(C)CCC(=O)N1 1110989807 WLZRFEKUTUWUBN-SDFXEEBMSA-N 377.445 -0.612 30 20 GBED N#CCc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 1116705710 QZLOQGAQTYALKG-JKSUJKDBSA-N 399.494 -0.471 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)C1 1118187878 SIXXAAHSQIGZBN-OAHLLOKOSA-N 390.362 -0.219 30 20 GBED C=CCN(C(=O)C(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1)[C@H](C)COC 1118467843 JIUYPUAUBFOFHP-OLZOCXBDSA-N 379.417 -0.112 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC2CCN(CCOC)CC2)CC1 1321772284 FDWNMPBHLVJHPS-UHFFFAOYSA-N 378.473 -0.799 30 20 GBED C=CCOCCNC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1327818887 OZTVVJMXEIUYPY-IAGOWNOFSA-N 394.516 -0.046 30 20 GBED CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)NCCc2ccc(C#N)cc2)CC1 1328861064 QLTBPCOAAUMUMH-UHFFFAOYSA-N 399.451 -0.586 30 20 GBED Cc1nccn1CCNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1341166439 YHMIRBDYFZELQL-CYBMUJFWSA-N 382.428 -0.293 30 20 GBED C#CCN1CCN(c2nnc(CN3CCC(C(N)=O)CC3)n2CCOC)CC1 1341601337 JSBQJSFXNOJYQY-UHFFFAOYSA-N 389.504 -0.623 30 20 GBED C=CCn1cc(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)nn1 1349015965 KVDMWOGHHFCKAM-UHFFFAOYSA-N 383.412 -0.345 30 20 GBED C=C(C)Cn1c(CN2CCC(O)CC2)nnc1N1CCO[C@H](C(=O)NC)C1 1524120704 ZLYXCTHPBDJGQU-HNNXBMFYSA-N 378.477 -0.238 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1c1nc(C)ccc1-c1nn[nH]n1 1573286581 FJUUUPKUBBLJCI-KGLIPLIRSA-N 385.428 -0.070 30 20 GBED C=C(Cl)CN1CC(N2C[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2=O)C1 1573294929 JURJPKJBFPSXSP-LLVKDONJSA-N 390.835 -0.038 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)CCOCc1cnn[nH]1 1576523170 OLCLWXOGOKAWHV-HOTGVXAUSA-N 389.460 -0.241 30 20 GBED N#Cc1cc(C(=O)NCC2[C@H]3CN(c4cnc(-c5nn[nH]n5)cn4)C[C@H]23)c[nH]1 1581865634 MOJVJSBAKFMWKG-CHWSQXEVSA-N 376.384 -0.031 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588351184 IISWYEQFEAXQKV-WFASDCNBSA-N 384.444 -0.083 30 20 GBED C#CCOc1ccccc1NC(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O 1588363157 NRXQZDYTZOQHEI-UHFFFAOYSA-N 396.367 -0.037 30 20 GBED C=CCOC[C@@H](NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1)C(=O)O 1588856427 IQDBAGLQYMNVMU-LLVKDONJSA-N 390.389 -0.204 30 20 GBED N#CCSCC(=O)NC1(CO)CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 1592679342 NJAMNTDQDZBPDV-UHFFFAOYSA-N 388.457 -0.034 30 20 GBED Cn1nccc1[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O 1594588007 ARMDLYNUOXSGGF-CYBMUJFWSA-N 377.382 -0.599 30 20 GBED CN1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C(=O)O)C1 1598607147 IGZSEVRKPSCDCH-ZDUSSCGKSA-N 380.426 -0.689 30 20 GBED N#CC1(C(=O)O)CCN(C(=O)C(=O)N2CCC(N3CCOC3=O)CC2)CC1 1601047966 AXUYWOWHGWUTRQ-UHFFFAOYSA-N 378.385 -0.353 30 20 GBED C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)C1 1649446715 NGVYUOCJJHOHNE-OKILXGFUSA-N 388.472 -0.428 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccn(C)n1 1723955679 OTUSTOIMFDIADW-YPMHNXCESA-N 394.461 -0.601 30 20 GBED CCOc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nn1 1780429608 UQPYJTAZTILGAO-GOSISDBHSA-N 388.380 -0.593 30 20 GBED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)n(C)n1 1785616513 GUHGBDWEUGMRBM-OBJOEFQTSA-N 390.396 -0.890 30 20 GBED N#CCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CNC(N)=O)C3)C2)cc1 1785631214 OLOZLPGLSQFKDW-LJQANCHMSA-N 385.424 -0.136 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nnc4cc(C)nn4c3C)[C@H]2C1 1787910803 IJDGWADRPUFHTB-KKUMJFAQSA-N 382.424 -0.032 30 20 GBED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O 1793764279 MDLOBUBEGTZUBZ-NFFDBFGFSA-N 378.429 -0.660 30 20 GBED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)[C@@H]1C=CCN1 1796312218 QOTZBJQORDTHCH-FNATUEMYSA-N 375.473 -0.424 30 20 GBED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1797646200 CYGYUSOWNSRRQC-IWSXDTNSSA-N 392.500 -0.063 30 20 GBED N#CCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1806282767 VGTDEGNCKYPUAH-SZMVWBNQSA-N 387.440 -0.348 30 20 GBED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1829846093 NFRFFFKKVNRBCK-BEFAXECRSA-N 394.472 -0.093 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835397240 AHEICJUNDFAUPB-FXAWDEMLSA-N 395.500 -0.013 30 20 GBED C=CCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)N3CCOCC3)CC2)CC1 1835765776 ZPYUENFIJNARSH-FQEVSTJZSA-N 394.516 -0.215 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837794486 UXZLWZRLZYNKIU-OAHLLOKOSA-N 378.345 -0.698 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N(CC(N)=O)CC(=O)OCC)c1 60194027 BVZWVCQRNJYYPH-UHFFFAOYSA-N 383.426 -0.359 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)N(C)C 291473924 FKVOLFCDPYSPCN-LLVKDONJSA-N 388.471 -0.767 30 20 GBED COCCNC(=O)/C(C#N)=c1/s/c(=C/c2ccc(OC)c(F)c2)c(=O)n1C 297546721 CWNCSUBJPYZDTA-VJUQUMAZSA-N 391.424 -0.140 30 20 GBED CC[C@H](/N=C(/O)N1CCC[C@](O)(C(=O)N2CCCC2)C1)C(=O)N1CCOCC1 329078839 QQEFPIWPRPGLNI-HNAYVOBHSA-N 396.488 -0.013 30 20 GBED CN1C(=O)[C@]2(CCN(/C(O)=N/[C@@H]3CCN(CC(F)(F)F)C3=O)C2)N=C1O 329469039 XSWYWWCLGHHJRV-AMIZOPFISA-N 377.323 -0.106 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 330939742 DCDLEGJXDQYONG-SCLBCKFNSA-N 391.476 -0.608 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CO[C@H](C)C2)c1C#N 349579060 SORTWPLBVXNRTJ-MWLCHTKSSA-N 391.475 -0.182 30 20 GBED COC(=O)[C@H]1[C@H](O)CCCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 444437968 NCJRHFLSYXKKBU-GDBMZVCRSA-N 395.437 -0.296 30 20 GBED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@H](CO)[C@H]2CCCO2)n1 448412141 YYEDIOSKCRMTMD-UKRRQHHQSA-N 387.371 0.478 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)NCCS(=O)(=O)NC(C)C)CC2)c1C#N 472107971 JRRVUPRJFZLKQO-UHFFFAOYSA-N 397.505 -0.240 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCCS1(=O)=O 484122581 HKTOKUHBMHBURG-SMDDNHRTSA-N 385.467 -0.082 30 20 GBED C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 484410244 MUGJSTPWDLYCEQ-DOMZBBRYSA-N 384.396 -0.255 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H](CC(N)=O)C2CCOCC2)CC1 542568126 FJVNTHQYJTYFFH-IRXDYDNUSA-N 379.505 -0.061 30 20 GBED CS(=O)(=O)N1CC[C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 566326764 DYOYFEWNJXAREB-AWEZNQCLSA-N 378.458 -0.181 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)NC(C)(C)C#N)CC(=O)N1 570695969 DLIUAECOARSIRM-NSHDSACASA-N 380.492 -0.862 30 20 GBED COC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)C#N)cc1 571061269 RYBRPMRWRWBUQR-NSHDSACASA-N 391.471 -0.447 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](CO)CN2CCCCC2)cc1 582610093 NMPZYKIONWAGCS-OAHLLOKOSA-N 380.470 -0.200 30 20 GBED C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 590993215 JCOKADFSPKUGHQ-UONOGXRCSA-N 375.429 -0.808 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)OC3)CC1 728589829 KZULFRNGXLMGOC-UHFFFAOYSA-N 377.422 -0.587 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc(OC)cc(OC)c2)CC1 761030023 DDULYYQJHSSUSR-UHFFFAOYSA-N 396.469 -0.273 30 20 GBED CCOC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2OC)CC1 766508512 DKRVFNHKMOTULP-UHFFFAOYSA-N 381.410 -0.037 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(F)cc1N(C)C 771892690 UMBIUJKILLUVOD-UHFFFAOYSA-N 397.432 -0.008 30 20 GBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1 787741312 WLOVOVVZEASXNY-QWRGUYRKSA-N 383.430 -0.419 30 20 GBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O)[C@@H]1CCCO1 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FVFYCWAMLICDEL-SYAUCNOPSA-N 388.424 -0.244 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(O)nc(C3CC3)n2)C1 966906779 WWRIZJVAZUIDAP-RZFFKMDDSA-N 388.424 -0.048 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2cc(C)nn2C)C1 968844470 HEFSTZUBUOQNBV-DFGXFYAUSA-N 376.457 -0.060 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 972829069 GAXNGNBNGYBNEG-VQHPVUNQSA-N 390.484 -0.589 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 977190661 HJCJLTRJZCITRZ-RMCNWUJSSA-N 391.468 -0.036 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 992071494 RLQLJVNDCXAZMM-FXUDXRNXSA-N 379.457 -0.070 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cn(C)cn1 993557730 SESVWAMQJVNHKB-OSRDXIQISA-N 385.428 -0.146 30 20 GBED CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1042979143 MHJCUXRZDCGETH-APIJFGDWSA-N 388.428 -0.696 30 20 GBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)c(C#N)cn1 1090561201 NXJOYUVRJADMRZ-SRABZTEZSA-N 387.440 -0.260 30 20 GBED C=CCN1CC[C@@H](N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2c(O)nnc2O)C1=O 1098287889 ZBLHUHCVUAZZTD-FVCCEPFGSA-N 376.417 -0.802 30 20 GBED C#CCNC(=O)CN1CC(OC2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 1105724893 ZLOMZOXMFCBVBA-NXHRZFHOSA-N 375.469 -0.005 30 20 GBED COc1ccccc1CONC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1117359591 MRWZWYAHAZLVFN-FOCLMDBBSA-N 388.380 -0.114 30 20 GBED Cn1c(Cc2cccc(C#N)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1123071480 ZCHVCJNBNKSJIC-UHFFFAOYSA-N 392.427 -0.387 30 20 GBED CN1CCC[C@H](CN(C)C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1258383198 MQJYCLGITYUTLM-PVEMMZBWSA-N 377.445 -0.571 30 20 GBED CNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 1261324401 HBPMFWPXBYEJCK-GJZGRUSLSA-N 385.424 -0.082 30 20 GBED C#CCn1cc(CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cn1 1322359835 XTAMXDUUGMGXTP-ZDUSSCGKSA-N 377.426 -0.702 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C2CCN(c3ccc4nnnn4n3)CC2)C1=O 1325140060 QPSLFYQSLWZCRJ-AWEZNQCLSA-N 384.444 -0.019 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)N[C@H]1CCS(=O)(=O)C1 1340246234 PXTWXLWHSDNHOW-OLZOCXBDSA-N 378.458 -0.838 30 20 GBED C#CC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1)c1ccccc1 1342006826 MAJUKRLMICBMDB-MRXNPFEDSA-N 393.465 -0.355 30 20 GBED C=C(C)Cn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CC(=O)N(C)C[C@@H]1C 1343905785 AFXNXYVUVUJXSH-LBPRGKRZSA-N 387.444 -0.415 30 20 GBED CN1CCN(c2ccnc(NC(=O)CCn3cc(C#N)c(O)nc3=O)c2)CC1 1557907259 UECUGWQRLICUQP-UHFFFAOYSA-N 383.412 -0.004 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@](C)(CNC(=O)CC(=O)NCc2cnn[nH]2)C1 1575013563 RPMIXVBETYHXEL-FZKQIMNGSA-N 390.444 -0.796 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@H](C)C1CN(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575075143 ZOLPVVOOQGEFIQ-PIGZYNQJSA-N 378.433 -0.899 30 20 GBED C=C[C@@H](CC)CC(=O)NC[C@]1(O)CCN(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575077926 DIAANWFBGXOMHF-SCLBCKFNSA-N 392.460 -0.507 30 20 GBED C=CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)[C@H]2CCNC2=O)CC1 1575104391 QCFVCIKVCQGKSS-HNNXBMFYSA-N 389.460 -0.964 30 20 GBED N#Cc1c[nH]c(C(=O)NCC2[C@@H]3CN(c4cncc(-c5nn[nH]n5)n4)C[C@@H]23)c1 1581862756 LXXBVQAPVFUALO-RYUDHWBXSA-N 376.384 -0.031 30 20 GBED C#C[C@@H]1COCCN1C(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 1588330390 AYDULWZESFNYPQ-CQSZACIVSA-N 375.410 -0.358 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588353140 IBHSFAGBWWJDII-OPQSFPLASA-N 382.428 -0.332 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2O)cn1 1588368715 XGYDRFPEQMDAPH-UKRRQHHQSA-N 391.395 -0.597 30 20 GBED C#CCN(CC(=O)O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 1588408542 RFBPGNVGFSDHOR-UHFFFAOYSA-N 375.353 -0.028 30 20 GBED C=CCn1cc(C(=O)NC[C@@H](C)N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)nn1 1588713869 XBVWUEJGICGCLX-SNVBAGLBSA-N 384.404 -0.137 30 20 GBED CC(C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC(C#N)(C(=O)O)CC2)C1 1591657413 PUVFJQIPHBBBHT-CYBMUJFWSA-N 378.429 -0.033 30 20 GBED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779021610 QXGSKLNLAMCOCA-SRKDWSFESA-N 393.488 -0.187 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781424283 KHFZERQVXCJBSG-GOSISDBHSA-N 391.428 -0.383 30 20 GBED COc1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1F 1783556931 FZHBHVPXXMIPKI-SFHVURJKSA-N 391.355 -0.239 30 20 GBED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3nc4ncccn4n3)CCO2)C1 1783895597 YAZSSQSSSFNZRS-MEDUHNTESA-N 376.442 -0.114 30 20 GBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(=O)c1cc(C)on1)CCO2 1785423872 GHACMOYJMMTHNA-IBGZPJMESA-N 388.424 -0.044 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnn1)C2 1793346702 JOZFDLYJHSUYBX-AFIMGQEJSA-N 388.424 -0.517 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)ncn1 1793486750 CCKXEJNWCVIKQA-NFFDBFGFSA-N 376.413 -0.024 30 20 GBED C[C@H](Nc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1795611323 OBZKZQMCVANDIG-FLTUCWPJSA-N 386.408 -0.440 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1 1795852479 NOLPYVASILPUJH-HLPPOEQASA-N 377.445 -0.559 30 20 GBED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2 1797811037 FPKFRUGEDFLFKT-UNQNCOHGSA-N 392.456 -0.367 30 20 GBED Cn1nncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797836283 JFBIFSZDPUIMSO-UADDQELFSA-N 386.412 -0.270 30 20 GBED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)c1cccnc1)C2 1801987199 QPFXIDUJZCYVFA-QDMKHBRRSA-N 384.392 -0.462 30 20 GBED C[C@H](CC(N)=O)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812873544 MCQZQZLTYUHQCP-RVZJWNSFSA-N 386.408 -0.313 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812879596 CCTRZDDGKFLLHB-ZXYWRSMDSA-N 398.419 -0.134 30 20 GBED CC[C@H](NC(N)=O)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1817996022 DIROYVMZRZDMQO-CMPLNLGQSA-N 390.400 -0.063 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](N)CN)n[nH]1 1818012795 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390.377 -0.285 30 20 GBED C[C@H](C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)[C@H]1SC(=N)NC1=O 1846195381 KBESKQKWXZJDIU-JOYOIKCWSA-N 378.410 -0.920 30 20 GBED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN(C)CC#N)CC2)c1 68972708 KQQVQAXGNAMECC-UHFFFAOYSA-N 396.469 -0.008 30 20 GBED CN1CCN(S(=O)(=O)c2ccccc2C/N=C(/N)N2CCOCC2)CC1 262538578 QXTDRTDBCPVAIP-UHFFFAOYSA-N 381.502 -0.230 30 20 GBED CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)cc21 264395437 CXKWEASACUOENU-CYBMUJFWSA-N 387.396 -0.154 30 20 GBED COc1ccc(S(=O)(=O)N2CCOC[C@H]2C#N)cc1[C@]1(C)NC(=O)NC1=O 266132914 BJSXYGCZZWJBQA-HWPZZCPQSA-N 394.409 -0.337 30 20 GBED Cn1cc(S(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(=O)n(C)c1=O 292509490 DUORKHZAWJZKFY-GFCCVEGCSA-N 391.409 -0.807 30 20 GBED C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 298075571 RWSIZOBXGVYEER-UHFFFAOYSA-N 394.453 -0.374 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)N[C@H](C#N)C(C)(C)C)CC1=O 349487636 DCTBAYKJHYRZBB-GFCCVEGCSA-N 394.519 -0.662 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCS(=O)(=O)N1CCSCC1 410148608 FYFBEUQWTJFVQG-LBPRGKRZSA-N 384.549 -0.319 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@H]5O)CC2)c1C#N 410751632 XOSBMWGKJWYMEK-CTTHAOKLSA-N 398.467 -0.524 30 20 GBED Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)n(CCC#N)n1 533326476 UJLDNFMIQZTRGS-UHFFFAOYSA-N 396.473 -0.121 30 20 GBED C=CCN(CC(=O)c1c(O)nc(=O)n(CCC)c1N)[C@H]1CCS(=O)(=O)C1 533387412 HGJBSAODNKYOQX-NSHDSACASA-N 384.458 -0.201 30 20 GBED COC(=O)c1cccc(CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1C#N 534292206 KXKVRLFQZDASDK-IRXDYDNUSA-N 393.465 -0.380 30 20 GBED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCC(=O)NCC#N)C1 553429410 BXYIXBWWAZHNLE-LBPRGKRZSA-N 382.446 -0.817 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1 573385974 OTSGOJVTLBMPKU-NSHDSACASA-N 399.454 -0.815 30 20 GBED N#CCNC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 580415968 QTAZOFGPQVKUFU-CYBMUJFWSA-N 395.397 -0.496 30 20 GBED CCN(CCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)C1CC1 583819141 OYOXJCNIFXMLRF-UHFFFAOYSA-N 387.488 -0.151 30 20 GBED C#C[C@H](NCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 775788807 JQTGRCZIKDNREY-QAETUUGQSA-N 384.498 -0.049 30 20 GBED C=CCNC(=O)CNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 776903110 XFVNVNBXHWDEKT-UHFFFAOYSA-N 383.449 -0.333 30 20 GBED C=CCS(=O)(=O)CCNC(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 800595059 OGXXWVNLXKWJND-UHFFFAOYSA-N 382.442 -0.115 30 20 GBED COC(=O)CNC(=O)[C@H](C)OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 853669820 CFAYMTHMJZUHGS-JTQLQIEISA-N 397.409 -0.664 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2cc(C(F)(F)F)nc3ncnn23)CC1 872634303 ZXCHJYCULQKPIM-UHFFFAOYSA-N 389.363 -0.267 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCOc2cccc(F)c2)CC1 892052944 RPYIJIITTAGYRM-UHFFFAOYSA-N 384.433 -0.001 30 20 GBED C#CCN1CCC(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)CC1 969318708 SIBIHKDHRMQDAA-QXCZDIPSSA-N 389.496 -0.165 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)cs2)C1 1024145001 JLNMRJIBMRAXOB-LPWJVIDDSA-N 379.438 -0.260 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(Cc2cc(C)no2)CC1 1117633840 IHVYQYQSOMTCDS-UHFFFAOYSA-N 384.458 -0.656 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCc1ccc(C#N)c(Cl)c1 1261716978 WYMUMIQVYLJRJJ-STQMWFEESA-N 385.829 -0.244 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)nn1CCC#N 1261905968 FFLWZNZLTFWTBA-LBPRGKRZSA-N 382.446 -0.416 30 20 GBED Cn1nc(Br)cc1C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1515130494 IXHIZYOIXWRERH-QMMMGPOBSA-N 389.231 -0.238 30 20 GBED CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1544571365 FIZMGWHMPTVHEX-OCCSQVGLSA-N 380.474 -0.041 30 20 GBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CCCCc2cnn[nH]2)CCCO1 1575005266 ZAKMIHONLQUUBZ-MRXNPFEDSA-N 376.461 -0.526 30 20 GBED O=C(C#CC1CC1)NCc1nc(O)cc(CNc2cncc(-c3nn[nH]n3)n2)n1 1581912791 YVASVNKVTNFVNX-UHFFFAOYSA-N 392.383 -0.206 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2O)cn1 1588370175 REGGJLJQTSGNQH-HUUCEWRRSA-N 392.379 -0.814 30 20 GBED C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1589943789 XDPJNIBPGXFRSG-ABAIWWIYSA-N 383.412 -0.046 30 20 GBED C[C@@H](CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)C(=O)O 1592588211 CVEJTUUMIANFPJ-JTQLQIEISA-N 375.428 -0.170 30 20 GBED COC(=O)[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc(C#N)cc1C(=O)O 1598818353 JZOUOUBJMZFLNN-LLVKDONJSA-N 381.366 -0.739 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCCN1C(=O)CNC1=O 1609492877 CHWVDZJOLAHWSB-ZDUSSCGKSA-N 382.384 -0.393 30 20 GBED N#CCCN1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 1642916311 WKVJIIOQGMJHNH-ZDUSSCGKSA-N 381.458 -0.790 30 20 GBED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1729739748 QYGAVSMNMSBUCZ-UHFFFAOYSA-N 389.441 -0.698 30 20 GBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1781203323 WMKDZHPFZBOQDL-IBGZPJMESA-N 395.456 -0.009 30 20 GBED 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390.465 -0.536 30 20 GBED C#CCN1CCN(C(=O)CON=C2C(=O)Nc3cc4c(cc32)OCCO4)CC1 749874616 PCFHDFGPUGEPIO-UHFFFAOYSA-N 384.392 -0.092 30 20 GBED C[C@H](OC(=O)CNS(=O)(=O)c1cn(C)cn1)C(=O)NC1(C#N)CCCCC1 756458819 KBMJUMDGGSXVIC-LBPRGKRZSA-N 397.457 -0.027 30 20 GBED CCNS(=O)(=O)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 765475214 KCMZHZWXRUMGAP-NSHDSACASA-N 388.471 -0.719 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2nnn(Cc3ccncc3)c2C)CC1 796180199 MYBDFOOLPRCXFS-UHFFFAOYSA-N 395.467 -0.073 30 20 GBED CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 804546111 KFKSFJAQOLDPSU-INIZCTEOSA-N 392.481 -0.226 30 20 GBED Cn1cc(C#N)c(=O)n(CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1=O 822665020 GEHAJSOVULRTAX-UHFFFAOYSA-N 387.381 -0.927 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NCCC(=O)O 827753443 DHNHZFRLAMOLKD-SNVBAGLBSA-N 383.382 -0.641 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@H](O)C(=O)O)CC2)c1 833363944 FXQHCJPNAYQNSM-HNNXBMFYSA-N 380.422 -0.104 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](Oc2ccc(F)cc2)C(=O)O)C1=O 833375789 GABIGMOHXSAPOV-GFCCVEGCSA-N 393.327 -0.249 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccc(F)cc1OCC#N 850606196 RSPAIEAVXAXOLP-AAEUAGOBSA-N 385.373 -0.405 30 20 GBED C=CCNC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 912686432 SCNSJFBWZFWGHV-GFCCVEGCSA-N 395.437 -0.345 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](C)C1 940215373 XOSNXZPGDJFKNQ-SYQHCUMBSA-N 378.429 -0.518 30 20 GBED C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)c2c[nH]c(C#N)c2)O1 960269879 KPSYCNAIWDEAAZ-VJUNAUMWSA-N 387.440 -0.343 30 20 GBED C#CCN1CCC(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCO[C@H]3C=C)C2)CC1 970711297 ADZMIVUJVHFPRM-BDXSIMOUSA-N 375.469 -0.389 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@@H]1CC 985521735 LLGZZYROZYEINY-TWMKSMIVSA-N 392.500 -0.153 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)[C@@H]1C 988278851 PIJVRYGOTVXPEG-FHIRATQRSA-N 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CC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837560226 LKUDKZIZPCQQJB-YSWKSISOSA-N 393.440 -0.074 30 20 GBED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)n1ccnn1 1839707260 NXQAMDAMDMWGAU-KBXCAEBGSA-N 388.428 -0.401 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]3C3CC3)C2)C1 1840040342 VPMSJZPVUHBTSL-YZVOILCLSA-N 376.409 -0.423 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840173417 WXMOYEITQCKAJR-MRXNPFEDSA-N 379.373 -0.036 30 20 GBED O=C1NC(=O)[C@H](CC(=O)N2CC3(CCCN3C(=O)C#Cc3ccccc3)C2)N1 1842729946 QSXPRQIDUXKNHW-HNNXBMFYSA-N 380.404 -0.160 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844314402 GLLJJVDTOHUQKQ-OMPOGXFXSA-N 392.412 -0.034 30 20 GBED COC(=O)[C@H](N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cccc(C#N)c1 267619558 QDJRHZPOIVDCPF-BRWVUGGUSA-N 393.465 -0.140 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](CO)[C@H]1CCOC1 280544555 SZNLNIYHQNFCSC-AEGPPILISA-N 381.454 -0.014 30 20 GBED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cn1cc(S(N)(=O)=O)cn1 281211377 LPSDLSJHRYRDRQ-UHFFFAOYSA-N 390.469 -0.007 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)NCCn2cc(C(=O)OC)nn2)cc1 284687606 YFVWPFZSPWLZNK-UHFFFAOYSA-N 393.425 -0.041 30 20 GBED C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 288731094 CFWSASQDFDORKI-GOEBONIOSA-N 387.440 -0.088 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 330397836 PRGJPLBICZMJOZ-GOSISDBHSA-N 377.445 -0.666 30 20 GBED CCNS(=O)(=O)[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 330637269 GAEDNEPKRBNSBP-HZPDHXFCSA-N 385.534 -0.308 30 20 GBED N#Cc1ccsc1N1CC[C@@H](N2CCN(CCS(N)(=O)=O)CC2)C1=O 331605957 QRDNNUJPIAYISN-CYBMUJFWSA-N 383.499 -0.369 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)C(=O)[C@H]1C 349510334 QIFJLTFSECFCRH-NEPJUHHUSA-N 380.492 -0.910 30 20 GBED C[C@]1(O)C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2ncccc2C#N)C1 349548386 WZHCTPQTTCFWOC-XBXGTLAGSA-N 388.471 -0.082 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)N(C)C(C)(C)C#N)CC(=O)N1 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386.408 -0.299 30 20 GBED COC(=O)[C@H](CF)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 577626946 ZKIDKGHUJATCPA-CABZTGNLSA-N 393.418 -0.334 30 20 GBED C=CCNC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCCC)cc1 577877184 WDHKAUGMKYVPRI-UHFFFAOYSA-N 375.472 -0.045 30 20 GBED CO[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nn(C)cc2C#N)C1 600767472 QTGATCDUKSOGJK-HAQNSBGRSA-N 391.475 -0.480 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(O)c(S(=O)(=O)NC)c2)C1=O 673129583 IXKOZAFMGIAODB-UHFFFAOYSA-N 396.381 -0.784 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)c3ccc(C)cc3C2=O)CC1 728534722 UPINTKPODVPXOJ-UHFFFAOYSA-N 382.420 -0.515 30 20 GBED N#CCn1cc(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)cn1 746410568 BETJSYYDBPIJCI-UHFFFAOYSA-N 381.396 -0.207 30 20 GBED Cn1c(N)c(C(=O)COC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c(=O)n(C)c1=O 795823436 IGPIRKFACNLJSV-ZDUSSCGKSA-N 395.375 -0.354 30 20 GBED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 815861187 VJLXVLHOHNAWNA-UHFFFAOYSA-N 385.424 -0.252 30 20 GBED CC(=NNC(=S)NCCN1CCOCC1)c1cccc(S(N)(=O)=O)c1 915940546 BQJVFLWEGVFVQO-UHFFFAOYSA-N 385.515 -0.146 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(OC)nn2)C1 970557176 AGORAEMKNSLKOF-RZFFKMDDSA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ncn(C)c1=O 1006386129 RPNRUXHUCMEKOB-ZSAUSMIDSA-N 375.429 -0.579 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)c3nnc(O)nc3O)C[C@H]21 1021798170 HZRQCRZCAQHFNZ-LOWDOPEQSA-N 389.412 -0.063 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 1021798759 QNPKNKKCFWJQLE-YJNKXOJESA-N 390.440 -0.421 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 1024584281 YFTZHKCQPSUWJT-MIGQKNRLSA-N 388.424 -0.537 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nnc3c2CCCC3)C[C@H]1O 1025711508 XAAVWSMFWIIEKN-WNOSKKOXSA-N 389.456 -0.564 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2c(C)nn(C)c2C)C[C@H]1O 1025712016 DBTBKLLNKXPMGR-DZUCGIPZSA-N 376.457 -0.142 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc3nnn(C)c23)C[C@H]1O 1025712419 KBOHBAYLNWXGBG-MPESAESLSA-N 385.424 -0.139 30 20 GBED C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)CN1C(=O)CCC1=O 1110551058 NGFJJQBETIIHHD-FPCVCCKLSA-N 377.441 -0.742 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NCCn1cnc2ccccc21 1321691773 PEIWJOBSYWGJNC-MSUUIHNZSA-N 396.407 -0.205 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CC[C@H](N2CCCC2)C1 1322694475 NTHRBTPWVKINTM-PVEMMZBWSA-N 375.429 -0.674 30 20 GBED CN(CCCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)N1CCO[C@H](C#N)C1 1326195659 ZXIBYBDWEDVKTK-CYBMUJFWSA-N 384.392 -0.118 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@@H](C4OCCO4)C3)CC2)c1 1336419546 ATBCFBPJNZJAGL-OAHLLOKOSA-N 385.424 -0.177 30 20 GBED N#Cc1cn(CC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c(=O)nc1O 1465067156 MHSNLSNPPYPSTK-UHFFFAOYSA-N 385.355 -0.056 30 20 GBED C#CC[C@@H](COC)NC(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 1588330804 FGBKPDQYMMABGT-ZDUSSCGKSA-N 398.427 -0.935 30 20 GBED 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390.461 -0.328 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCN(C)CC1 1797834847 INYYNVOAOCEDQE-ZJPYXAASSA-N 376.501 -0.090 30 20 GBED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2 1797837303 VHOKWMJUVBXOHW-QXGBSFMGSA-N 390.396 -0.604 30 20 GBED N#CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819881043 RAMTXHDXBPSNEJ-ZUZCIYMTSA-N 379.442 -0.381 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1829709783 FJIYQQYURLFWPM-QGZVFWFLSA-N 382.486 -0.595 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1 1831394288 ZYAHFBZHBGYMPW-FRQCXROJSA-N 380.441 -0.340 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1831424278 GJUQLWDZPZHEBK-SPYBWZPUSA-N 395.456 -0.688 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1832456473 RESVIIQOTVCLIR-KRWDZBQOSA-N 396.469 -0.762 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)n(C)n1)CCO2 1833410886 UQZQTWNURLGXFR-IBGZPJMESA-N 390.440 -0.001 30 20 GBED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(C)=O)CC2)CC1 1833469460 YBXLWWXIOJJHJX-HNNXBMFYSA-N 392.500 -0.268 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1834763798 ZBELEJOKDINWAJ-MRXNPFEDSA-N 377.357 -0.093 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3C)CCO2)C1 1839216351 PBFDMDAMPBJSEV-IIYDPXPESA-N 385.486 -0.618 30 20 GBED CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839228109 SNZRPUWCOTWSRV-KSSFIOAISA-N 398.460 -0.620 30 20 GBED C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840025171 YNAJAOFOODECGM-JXFKEZNVSA-N 394.468 -0.478 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840043249 NSGRPXRCNLWADW-SFHVURJKSA-N 386.364 -0.956 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840106991 FPERBRFIPLDDTH-KBXCAEBGSA-N 399.513 -0.226 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CCN1CCN(C)CC1)C2 1841599379 PGJVCGSUUKLFBA-KRWDZBQOSA-N 376.501 -0.134 30 20 GBED C#CCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 281231701 CEMHADZBCDYMTG-UHFFFAOYSA-N 385.449 -0.150 30 20 GBED C[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)NC2(C#N)CC2)CC(=O)N1 349485151 ZSDBHITUJOWSOL-LLVKDONJSA-N 398.466 -0.470 30 20 GBED CCOC1CC(O)(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 447425979 JRRGEZOSQYPNRE-UHFFFAOYSA-N 398.423 0.183 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(CC(=O)OC)c2ccccn2)C1=O 486550121 NWCQSUSAMJSCBR-SFHVURJKSA-N 388.380 -0.047 30 20 GBED CCNC(=O)N1CC[C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 527817267 FIMFDZIMGBDBQS-LLVKDONJSA-N 375.389 -0.809 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCc4n[nH]cc4C3)CC2)c1 550889822 DXFVYBUBBZZGOG-OAHLLOKOSA-N 379.424 -0.001 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N 556374185 KGKMPMJOHOZINZ-CYBMUJFWSA-N 380.474 -0.039 30 20 GBED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(C)(C(N)=O)C2)cc1 566341924 QESRJWIKDVRXAV-JTQLQIEISA-N 378.410 -0.355 30 20 GBED CN1CCN(C(=O)CCNC(=O)N2CCN(c3cnccc3C#N)CC2)CC1 575416262 AIHLURSBUURPMN-UHFFFAOYSA-N 385.472 -0.051 30 20 GBED COCCN(CCC#N)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 610913104 RAXDXZMCOVGORP-GFCCVEGCSA-N 382.442 -0.159 30 20 GBED CN1CCN(C)[C@H](CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 731872763 GLGMZXAGVMMWHO-CYBMUJFWSA-N 379.486 -0.523 30 20 GBED CCOC(=O)C1CCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 771896589 DFVACSBWJXGYQP-UHFFFAOYSA-N 386.430 -0.528 30 20 GBED CC(=O)N1CC(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 788157493 MVOADVQVHRAIAA-UHFFFAOYSA-N 375.385 -0.475 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 803861965 OMTMHKKWNFGDJK-OAHLLOKOSA-N 384.414 -0.547 30 20 GBED CCO[C@@H]1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1SC 807979864 YPMMDIYDXGZJLY-MWLCHTKSSA-N 376.460 -0.741 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)[C@@H]1CCCO1 809312063 LJIIJFSUSDOHFB-HOTGVXAUSA-N 384.440 -0.454 30 20 GBED C#CCOCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 819701743 LWGMZSOBTDNGAR-NSHDSACASA-N 379.398 -0.274 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2oc(S(N)(=O)=O)cc2C)CC1 826549678 LGAGQPIXPOKBOZ-UHFFFAOYSA-N 382.442 -0.867 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](OC(=O)N(C)C)C2)c1=O 840107113 WFVAZTCYZVSQLD-CYBMUJFWSA-N 379.417 -0.726 30 20 GBED NC(=O)Cn1cc(C=NNc2ccc(S(=O)(=O)NC3CCCC3)cn2)nn1 841616792 ASRPGNNQLKFYGI-UHFFFAOYSA-N 392.445 -0.175 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC1 874343326 ZFLXEEZHBRUQPZ-NEPJUHHUSA-N 395.403 -0.897 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCN(C)C(C)(C)C3)CC2)c1C#N 910680706 WIUYTDQIJRWBIH-UHFFFAOYSA-N 387.488 -0.199 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCO[C@H](c3ccnn3C)C2)C1=O 910692374 KBDROFWXRNAFGR-CABCVRRESA-N 375.429 -0.435 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cn1c(O)nnc1O 977033937 FVSLTMQQLVWLFU-LPWJVIDDSA-N 379.417 -0.176 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(NC(C)=O)cn2)C1 1024222051 PLIAQVDGVSXAEO-DZUCGIPZSA-N 388.424 -0.067 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C[C@H]2O)cn1 1024928823 CCFZLSGFMUMJGT-BSDSXHPESA-N 379.420 -0.098 30 20 GBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ccc(O)nc1=O 1109491048 DTAQMXUGQOHNRY-CRWXNKLISA-N 375.429 -0.639 30 20 GBED CN(CCOCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)c1ccnc(C#N)n1 1115272684 RNZAECFTMFFQDG-GRDNDAEWSA-N 375.429 -0.031 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 1321608580 ZVSHFCSHPLNUAD-JSGCOSHPSA-N 384.458 -0.036 30 20 GBED CN(CCC#N)S(=O)(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1321967206 IWYGXIXBRPRSJF-UHFFFAOYSA-N 394.519 -0.361 30 20 GBED C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 1331859514 ZONROLLACIDJLM-MRXNPFEDSA-N 388.472 -0.632 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2Cc2cccc(Cl)c2)CC1 1334016086 MUDIWVZMKVKQAB-UHFFFAOYSA-N 395.876 -0.036 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 1337664309 HYCXGEPOBURMFY-CYBMUJFWSA-N 394.453 -0.175 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N(C)C[C@@H]1COCCO1 1340234508 LTUOONWAIQDCDC-GFCCVEGCSA-N 376.417 -0.620 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1346609664 DKRXKPSDDRAVNP-HNNXBMFYSA-N 380.514 -0.376 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCC2(N3CCCC3)CCOCC2)nn1 1349026633 VSQAHCNVUMCRIH-UHFFFAOYSA-N 376.461 -0.159 30 20 GBED C[C@@H](CC(=O)N(C)CCS(N)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 1455399827 NCTIWGDLLCMVBN-JTQLQIEISA-N 388.471 -0.749 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@H]2O)nc1 1573290993 URNQWYMIABXXIW-HUUCEWRRSA-N 394.370 -0.243 30 20 GBED C#CCOc1ccc(C(=O)NC2CN([C@@H](C)C(=O)NCc3cnn[nH]3)C2)cc1 1575012569 CGZLLDPNNYMNNH-ZDUSSCGKSA-N 382.424 -0.064 30 20 GBED N#C[C@]1(C(=O)NCCn2cc(-c3nn[nH]n3)c(O)nc2=O)CC2CCC1CC2 1581857210 TUHCRBPHSVYQAQ-NQMJSUOBSA-N 384.400 -0.035 30 20 GBED C#CCNC(=O)[C@H](C)N1CC[C@H](N(CC)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353644 ZRZMWYPSVQZQLW-JSGCOSHPSA-N 384.444 -0.131 30 20 GBED C#CCN(CC(=O)O)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O 1588407592 RKRPVSCVQADXJP-UHFFFAOYSA-N 382.174 -0.561 30 20 GBED C=CCCOCC(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588611727 WBFUNAHKDSXJCC-UHFFFAOYSA-N 389.416 -0.519 30 20 GBED Cn1cc(S(=O)(=O)N(CC#N)CC(=O)O)cc1C(=O)NCC(F)(F)F 1600967096 CYLSQPACLQRASE-UHFFFAOYSA-N 382.320 -0.084 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3snc(C)c3-c3nn[nH]n3)C[C@H]2O)cn1 1602740215 ZHVDNPJEYZYZKO-CHWSQXEVSA-N 396.436 -0.013 30 20 GBED C[C@]1(C#N)CCN(C(=O)C(=O)N2CCN(c3cccc(-c4nn[nH]n4)n3)CC2)C1 1603737588 UTCINMAWHKWKJH-GOSISDBHSA-N 395.427 -0.328 30 20 GBED COC(=O)CCN(CC(=O)O)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1604303442 NKGLHBCQWYQXRU-UHFFFAOYSA-N 382.394 -0.051 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCOCC(=O)O)CC2)cc1 1608210229 DYRGRDCAQQIHSN-UHFFFAOYSA-N 396.425 -0.325 30 20 GBED C=CCOC[C@H](NC(=O)[C@H]1CCCCN1C(=O)c1ccc(O)nn1)C(=O)O 1609432294 MYBRCMQBXBXZJF-QWHCGFSZSA-N 378.385 -0.051 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCNC[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 1609586600 MWOXTENXZCNQCK-VDMFXUGISA-N 399.411 -0.278 30 20 GBED C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1706790862 KYEVNSRECKJPHS-KFWWJZLASA-N 389.460 -0.321 30 20 GBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780158241 VVKQLCQKLAZFGZ-FQEVSTJZSA-N 386.404 -0.088 30 20 GBED COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(O)c1 1780556046 UBPVTOGIZNHKPF-IBGZPJMESA-N 388.376 -0.068 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@H](O)CN2)C1 1780597556 WYVBSISPARMVLF-YNIGFRRXSA-N 393.484 -0.739 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1783344641 QHGYXEJDTKKVFU-OXJNMPFZSA-N 386.404 -0.492 30 20 GBED Cc1cn(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)S)C3)C2)c(=O)nc1O 1783899980 ITIQJIAHPFASLG-YVEFUNNKSA-N 396.469 -0.594 30 20 GBED O=C(CN1CCOC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1784276973 WWCXEFXXOAZACW-JYJNAYRXSA-N 375.425 -0.168 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)C=C)C[C@@H]21 1784486191 ZLZVSNZMHYRPJO-WOYTXXSLSA-N 391.468 -0.305 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)CC 1793244820 VUQXJQXJWZZFMQ-LBKYZSNHSA-N 379.457 -0.471 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1=O 1795450275 CKSWUTKTWDTVQP-KRXQYRFLSA-N 393.484 -0.229 30 20 GBED N#CCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1806280788 OOBSPGBWYMPKLW-DYVFJYSZSA-N 384.396 -0.447 30 20 GBED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815676012 TXUCQLOHJBKNIA-MNOVXSKESA-N 389.441 -0.220 30 20 GBED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CC1 1831221693 YVCGHXPMISBXOZ-IBGZPJMESA-N 390.436 -0.191 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1831397631 UNNOLDCKXBCTLL-AHRSYUTCSA-N 393.484 -0.377 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1835415434 ULNCCSRNGLKCJJ-LJQANCHMSA-N 377.441 -0.521 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838535750 BQEUEUKYQZIVPF-SCLBCKFNSA-N 395.481 -0.226 30 20 GBED Cc1nnsc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042594 CNFWPLBRTDNXHO-MRXNPFEDSA-N 394.409 -0.995 30 20 GBED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1 1841958164 NRIJPHYMJYKRHS-CYBMUJFWSA-N 378.429 -0.229 30 20 GBED N#Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)CC[C@H](N)C(N)=O)C2)cc1 1842942438 CEBAQKDVGDSBPI-INIZCTEOSA-N 383.452 -0.103 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN(C(=O)CN2CCOCC2)CC1 28176623 HSESAJDXAKHTGX-QFBILLFUSA-N 379.505 -0.094 30 20 GBED Cn1ccnc1[C@@](O)(CCNc1c(C#N)c(=O)n(C)c(=O)n1C)C(F)(F)F 45802417 IYDDQALJXUWYIK-AWEZNQCLSA-N 386.334 -0.059 30 20 GBED N#C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCO1 264408179 QNYFYMARANZKIT-HNNXBMFYSA-N 396.444 -0.117 30 20 GBED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1 284063601 QXJPFRZUQYESIE-QGZVFWFLSA-N 383.452 -0.061 30 20 GBED CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CC(=O)NC1=O 299585925 ZMBWXTYAQYUVMP-CYBMUJFWSA-N 378.410 -0.244 30 20 GBED C[C@H]1OCC[C@H]1/N=C(/O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 330270817 UWHJRHSRBWSHMF-ZIAGYGMSSA-N 375.495 -0.812 30 20 GBED C[C@H](CN1CCN(C)CC1)/N=C(/O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O 330721843 XPHMMRPQVSVCIA-RBSFLKMASA-N 375.539 -0.014 30 20 GBED N#CC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc3nncn3c2)C1 349507852 WCZQDYQUUFLFLS-UHFFFAOYSA-N 384.443 -0.354 30 20 GBED C=CCN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 369020923 FCWQHEADUSJVBX-HZPDHXFCSA-N 399.513 -0.631 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)n2nnnc2C(C)(C)C)CC1 371541916 GIDZVZQFBZDEQB-CQSZACIVSA-N 375.477 -0.185 30 20 GBED CNC(=O)CCOC1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1 409496046 RQOZSORSSWWMIR-UHFFFAOYSA-N 376.479 -0.290 30 20 GBED CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 410666174 YILYEHNGCYXOLQ-KGLIPLIRSA-N 386.412 -0.537 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)CC1 459885576 MJUFKIDDEFQARD-BRWVUGGUSA-N 392.500 -0.558 30 20 GBED CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 507402959 NAMUTASAFOEOGJ-ZDUSSCGKSA-N 376.417 -0.169 30 20 GBED CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1F 511017094 ONSFHFRYTCYQRV-UHFFFAOYSA-N 392.434 -0.106 30 20 GBED COC(=O)[C@H](C)CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 594538950 DVJYSAJCVGPJIN-LLVKDONJSA-N 389.455 -0.082 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCCCn2nc3ccccn3c2=O)C1=O 736417111 VSCMZXJFDQVTNR-UHFFFAOYSA-N 387.352 -0.594 30 20 GBED CCNS(=O)(=O)CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 753129454 YTXALOMMEROKSR-HNNXBMFYSA-N 393.469 -0.102 30 20 GBED C[C@H](CC(=O)NC[C@@]1(O)CCN(C)C1)/N=C1/NS(=O)(=O)c2ccccc21 762722399 QBUNMNKAZCQZPJ-PXAZEXFGSA-N 380.470 -0.314 30 20 GBED CCc1nn(C)c(Cl)c1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771889971 CTCZLTACQQEIKG-UHFFFAOYSA-N 388.837 -0.654 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCCN2CC)C1 785644318 PWNHJJGXITXHKN-KGLIPLIRSA-N 380.445 -0.126 30 20 GBED C=CCNC(=O)CNC(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 823919394 DXMJMGKARFIABR-UHFFFAOYSA-N 384.444 -0.004 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)CCC)C2)CC1 831556077 GIGLWKZWBYWRQE-OAHLLOKOSA-N 384.502 -0.363 30 20 GBED NC(=O)CC[C@H](C(=O)N[C@@H]1CCCN(O)C1=O)N1C(=O)c2ccccc2C1=O 848136718 QHQNQZCZYIEKRZ-CHWSQXEVSA-N 388.380 -0.587 30 20 GBED C#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1nc2cccnc2n1C 848961855 QESYICWGFUXSQQ-UHFFFAOYSA-N 385.471 -0.005 30 20 GBED CS(C)(=O)=NS(=O)(=O)N1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 859179567 MVZYYQNQZFXRGO-UHFFFAOYSA-N 398.532 -0.400 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCN2CCC3(C2)OCCO3)cc1 899053329 KNDDFWGUILQZER-UHFFFAOYSA-N 393.465 -0.223 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@@H]1O 964503669 NJRTXLXLSROVFO-UKMLZYKCSA-N 375.425 -0.332 30 20 GBED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2ccc(O)nc2=O)c[nH]1 1003832892 BFDJEJZBLPBTID-MCIONIFRSA-N 382.380 -0.289 30 20 GBED C=CCN1CC[C@@H](N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CC2CS(=O)(=O)C2)C1=O 1095650398 RSUVDVBWGIILFY-FXUDXRNXSA-N 381.498 -0.071 30 20 GBED C=CC[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C)c1ccncc1 1117311181 ICDVBMDZKKTQQZ-CQSZACIVSA-N 383.474 -0.236 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCCOCCO)C1 1129856151 YOAVGMNHQOCPSZ-NCOADZHNSA-N 379.461 -0.390 30 20 GBED C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)[C@@H]1CCCO1 1323573177 XUJIFFYXMQMIMW-PAKFGRKTSA-N 376.413 -0.880 30 20 GBED CS(=O)(=O)N1CCC(CNC(=O)C(=O)NCC#Cc2ccccc2)CC1 1327378525 HRNOPFZLYSZQPY-UHFFFAOYSA-N 377.466 -0.058 30 20 GBED CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCO1 1328816759 PFOKQIXPABDRNH-JQQGEINESA-N 378.429 -0.051 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CCN)CCN1C1CC1 1330452485 JUGDIHKBYLLSJY-JKSUJKDBSA-N 390.488 -0.969 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@@H]2C[C@H]3C=C[C@H]2CC3)CC1 1334580102 GJVTVNALCQRFIV-JYJNAYRXSA-N 391.501 -0.135 30 20 GBED Cn1c(-c2ccnc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1343495350 GTKVNBHCNRYUIQ-UHFFFAOYSA-N 396.455 -0.270 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN([C@H](C)C(=O)NCc3cnn[nH]3)C2)C1 1575005101 UVIRNEXAMDEIED-CABCVRRESA-N 388.472 -0.228 30 20 GBED CCN(CCC#N)C(=O)CN[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1577909207 HFUOTMYJIKMIGB-JOCQHMNTSA-N 385.432 -0.193 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(N=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1588404781 KIYRBCPBKRFMJQ-GFCCVEGCSA-N 385.432 -0.390 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[nH]n3)s2)C[C@@H]1O 1588505936 ZQVWARUBYMBUDQ-CYVIZDSUSA-N 399.864 -0.031 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(F)c2-c2nn[nH]n2)CC1 1602722402 PTTDSMRGOPBGRK-UHFFFAOYSA-N 385.403 -0.097 30 20 GBED N#Cc1ccsc1NC(=O)CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 1652967267 MJLQTMQCTXBGDM-OLZOCXBDSA-N 384.483 -0.666 30 20 GBED CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCN(C(C)=O)CC1 1729078327 LUBFCELXTOKHHB-INIZCTEOSA-N 391.476 -0.293 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1778969638 OSGXVFWFOLNNFI-KBXCAEBGSA-N 377.445 -0.319 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccnnc2O)C1 1779966410 JUUPSDQQYCHNHG-FZKQIMNGSA-N 388.380 -0.602 30 20 GBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1CCN(C)CC1)C2 1781694213 MIVNTYCHMLJERF-YLJYHZDGSA-N 376.501 -0.229 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782658569 LHMCGYAUOWIQLE-GOSISDBHSA-N 392.481 -0.008 30 20 GBED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2 1783164412 VHARVNBEDDMRRT-AUUYWEPGSA-N 390.440 -0.535 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1783564735 KXZAFGYLCWTLCB-GOSISDBHSA-N 383.364 -0.739 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnnn3C)C[C@@H]21 1784479163 ZKZREXSAWJZJMY-YXWQFLTLSA-N 375.429 -0.553 30 20 GBED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1784954693 XEILDIJDNINMEM-QPSCCSFWSA-N 392.456 -0.270 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1 1788654267 BNSGZFQMVTXNQR-DRCYAFTPSA-N 395.500 -0.171 30 20 GBED O=C1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)N1 1795287580 KTBKQWQSWZHXFR-ZDFAKYFCSA-N 391.472 -0.674 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCc1ccccc1 1795426620 DWIPOYIFXHUCHK-CWPLJXCYSA-N 386.404 -0.119 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1 1795851047 GVUFNYSFPQVJTP-MIFYACCESA-N 389.460 -0.850 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)N1CCOCC1 1798490022 JSCANZXQFQEEFB-QEOTZNIISA-N 395.500 -0.152 30 20 GBED N#CCCC(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1807192559 QQLGIENXVYFQRD-RVKKMQEKSA-N 386.456 -0.016 30 20 GBED O=C(O)C#CC(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)n3)C2)CC1 1810891049 QENNPSKMASUQPX-UHFFFAOYSA-N 388.380 -0.179 30 20 GBED Cn1ncnc1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812876118 BVQGWIIGORYTPK-CZUORRHYSA-N 382.380 -0.382 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC[C@@H](N)C(N)=O)C3)C2)C1 1829667008 QHINBDJQSUMOFJ-DNVCBOLYSA-N 394.472 -0.998 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1831402287 SZEHQDUWGXVGRP-BEFAXECRSA-N 395.456 -0.993 30 20 GBED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1833148488 BHFJVYIUZWEDCI-IRXDYDNUSA-N 391.516 -0.169 30 20 GBED Cn1nncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1833234500 BLKHXXDGQCGZID-GOSISDBHSA-N 399.411 -0.601 30 20 GBED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)no1 1838129236 NQBDLOBWRRRCFU-SFHVURJKSA-N 391.380 -0.605 30 20 GBED CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840160348 FGBRCYOMAYZGBD-GUYCJALGSA-N 387.502 -0.467 30 20 GBED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841299526 AMEAZBPZXYBHOH-LBPRGKRZSA-N 395.412 -0.837 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1841600683 MOFIUFXPRFONPS-CZUORRHYSA-N 394.424 -0.277 30 20 GBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 56139964 OGDKVDZUQQQPPE-LLVKDONJSA-N 394.496 -0.302 30 20 GBED C/N=C(/NCCN1CCOC(C)(C)C1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 261679878 CZMQLFATXABHBS-LJQANCHMSA-N 394.520 -0.017 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCOCCS(C)(=O)=O)c1 266016875 WMQCDUYRTXCFGH-UHFFFAOYSA-N 388.467 -0.611 30 20 GBED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC)cc1C#N 276188944 SEWVEJWUWYVPBV-UHFFFAOYSA-N 397.413 -0.269 30 20 GBED O=C(C/N=C(/O)NC1CCCCC1)N1CCN(C(=O)CN2CCOCC2)CC1 328834772 LYDWQYBEILQEGA-UHFFFAOYSA-N 395.504 -0.174 30 20 GBED C[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(CC#N)CC#N)C[C@H]1O 349482470 RZIKSXMNPSALCL-CHWSQXEVSA-N 398.466 -0.274 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 349525868 RZOZZPZKFSHJCD-QWHCGFSZSA-N 392.503 -0.766 30 20 GBED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)n1 368144136 WYEYMERTMYXZEQ-CYBMUJFWSA-N 381.396 -0.380 30 20 GBED COC(=O)C[C@@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCO1 368541537 AKDMOERNDSICTN-CQSZACIVSA-N 391.428 -0.233 30 20 GBED COc1cccc(C(=O)NCCNC(=O)C(=O)Nc2ccn(CCC#N)n2)c1 444513175 PBMZOEBORMGTFV-UHFFFAOYSA-N 384.396 0.290 30 20 GBED CCn1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)ccc1=O 446533182 UTVPCHAXISKRSH-UHFFFAOYSA-N 375.429 -0.119 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N 473100329 RGVLVYVSFXZYKD-CQSZACIVSA-N 394.501 -0.632 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)NCCN(C)S(=O)(=O)N(C)[C@H](C)CC#N 509254618 MNPXHXQNSLGDKU-CHWSQXEVSA-N 394.523 -0.535 30 20 GBED COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)NCC(=O)NCC#N 562108183 VBZNMAQBRHHXMF-UHFFFAOYSA-N 381.414 -0.103 30 20 GBED COCCN1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1=O 581855561 CBHFLVCYAIXSQB-UHFFFAOYSA-N 380.426 -0.846 30 20 GBED CSc1n[nH]c(NS(=O)(=O)CCCS(=O)(=O)N2CC(CC#N)C2)n1 595964428 IXSLIFKMEILPDB-UHFFFAOYSA-N 394.504 -0.166 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 596838949 GXPBVPMVGOTRCU-CHWSQXEVSA-N 390.425 0.381 30 20 GBED C=C(CNS(=O)(=O)N1CC[C@H](C)C1)CNS(=O)(=O)N1CC[C@@H](C)C1 660128107 JPVVZVZLHSVQMM-BETUJISGSA-N 380.536 -0.105 30 20 GBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)CC1 735380130 CJDXCKOZHOKPGA-CQSZACIVSA-N 396.455 -0.439 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCN(C3CCOCC3)C2=O)C1=O 746974115 WFROMRUSGVRJGM-GFCCVEGCSA-N 379.369 -0.714 30 20 GBED CCS(=O)(=O)NCCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758355731 YJKLXOYRXHNNAT-RYUDHWBXSA-N 389.478 -0.016 30 20 GBED COCCN1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1=O 769005592 MOXFNUAETHXDNZ-UHFFFAOYSA-N 378.360 -0.016 30 20 GBED Cc1nc2sccn2c1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771891550 UQIZKLWJGWYWMV-UHFFFAOYSA-N 382.427 -0.586 30 20 GBED C=C(C)CN(CC)C(=O)COC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 786199484 ZLOYNCLEIDKNBS-UHFFFAOYSA-N 387.414 -0.375 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1)[C@@H]1CCCO1 809306431 QOMWWTUXSNKSLW-OWSLCNJRSA-N 376.501 -0.232 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)CC1 831555927 DOBQXYOOEUOGAA-GOSISDBHSA-N 391.449 -0.230 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(F)(F)C(=O)N3CCOCC3)CC2)c1C#N 836207516 USKCSQVAQXRNDP-UHFFFAOYSA-N 396.398 -0.257 30 20 GBED CN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 848942744 WDVPHHGPWYYFQN-UHFFFAOYSA-N 395.484 -0.846 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)NC1CCC2(CC1)OCCO2 848966876 FISKSNKVEYIDSB-UHFFFAOYSA-N 381.476 -0.575 30 20 GBED N#C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 859621940 ADSFBXYYHQUVER-SECBINFHSA-N 386.817 -0.532 30 20 GBED Cn1c(=O)c2ccc(C(=O)OCCOCCOCCC#N)nc2n(C)c1=O 861318991 YMZVTQYZQLAOMG-UHFFFAOYSA-N 376.369 -0.264 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(O)nn2)C[C@@H]1O 964193576 NSNNPSIPNIPACO-AEIGPULVSA-N 376.413 -0.145 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)C[C@@H]1O 964615130 IASFGTDJBARVSI-OJLVUWQFSA-N 388.424 -0.537 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)CCO2 967706767 QWZBUYHGGVFFFT-WCVJEAGWSA-N 391.468 -0.081 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C[C@@H]2O)nc1 969348502 PAMQRDXFTZGYAO-SZXPJGKVSA-N 379.420 -0.098 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CS(=O)(=O)C1 1003675843 AHZVMBVETYPIIG-WCVJEAGWSA-N 379.482 -0.623 30 20 GBED C#CCNC(=O)CC(=O)NC1(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CCC1 1063969038 LPGREKAWDDUQRB-GRDNDAEWSA-N 377.441 -0.668 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1n1ccnn1 1069929442 FLKSIEWCYYPKGC-NCOADZHNSA-N 388.472 -0.167 30 20 GBED C=CCN1CC[C@@H](N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2CCOCC2=O)C1=O 1095539915 PQGXUXHWFPHIRC-FXUDXRNXSA-N 376.457 -0.646 30 20 GBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C 1106449049 SPUKWEPUGZHAGL-FPCVCCKLSA-N 380.489 -0.214 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc(-n2cnnn2)cn1 1109548938 AYHXCSSPQOXFLS-KCXAZCMYSA-N 380.412 -0.858 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCCCOC 1111253921 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FDQSUHCZDUXELW-ZRGWGRIASA-N 390.488 -0.112 30 20 GBED N#C[C@]12CN(CC(=O)Nc3ccc(-c4nn[nH]n4)cc3)C[C@H]1CS(=O)(=O)C2 1581860439 ZXFQIWRALALRTQ-BLLLJJGKSA-N 387.425 -0.325 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[nH]n3)nn2)c1 1581863183 ZIJCTPWOMANZAK-LLVKDONJSA-N 380.372 -0.508 30 20 GBED N#Cc1ccc(C(=O)NC[C@]2(O)CCN(c3ncccc3-c3nn[nH]n3)C2)[nH]1 1581867763 UXCMDIGYOGQITM-QGZVFWFLSA-N 379.384 -0.167 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588665870 SDJTWZYUNHZKJZ-ZWKOPEQDSA-N 375.389 -0.913 30 20 GBED C[C@@]12CN(CC(=O)NCC#N)C[C@@H]1CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 1591759528 RPFJUASOMLXJAR-DIFFPNOSSA-N 383.416 -0.772 30 20 GBED C#CC[C@@H](NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O)C(=O)O 1602693615 ZPMRRZYZYYUCSY-GFCCVEGCSA-N 387.435 -0.289 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2O)cc1 1602739460 LTOKCJXVWFYEPY-CVEARBPZSA-N 391.391 -0.209 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[nH]n3)n2)nn1 1602882482 KPEIFSPHCYXHDP-WZRBSPASSA-N 393.415 -0.026 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@]1(CC(=O)O)CCOC1 1604356283 JERZRZFGZDZYLA-BZNIZROVSA-N 381.410 -0.025 30 20 GBED C[C@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)n1cnc(-c2nn[nH]n2)n1 1609069027 PICIEEQBLCKZSP-LLVKDONJSA-N 379.388 -0.365 30 20 GBED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCOC2)CCOC1 1728817385 LYHUTQUYZFICHZ-ZTFGCOKTSA-N 393.444 -0.190 30 20 GBED CC(=O)N(CC(=O)O)C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CCO1 1776202743 YXYQTNJLMDSSBO-AWEZNQCLSA-N 381.410 -0.119 30 20 GBED CN(C)C(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779137518 QGHHEZMXSYETAP-HRYJJRBTSA-N 376.413 -0.383 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ncon3)C2)C1 1779867683 QQIDFBIVLYSGMJ-KRWDZBQOSA-N 376.417 -0.205 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccn3cncc3c1)CCO2 1783565720 XZCLSPXZGPBWBX-IBGZPJMESA-N 382.376 -0.134 30 20 GBED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)CN)C[C@@H]32)cc1 1783603879 ZVQPNTPFKRLIAF-XSLAGTTESA-N 385.468 -0.634 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1783924293 OZKUVIRUGSQBQP-ZWKOTPCHSA-N 381.429 -0.018 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1784035990 YRFJRNSWULFQAS-CLCXKQKWSA-N 377.441 -0.619 30 20 GBED COC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1784261022 YTVKLXOSIBODJU-QGZVFWFLSA-N 375.385 -0.314 30 20 GBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCO2 1785423042 OGSQCXOWZRRDAF-SFHVURJKSA-N 384.396 -0.726 30 20 GBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cc(C)c(O)nc1=O)CCO2 1785430073 PXXIRBUIPSMRHS-IBGZPJMESA-N 388.424 -0.499 30 20 GBED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1789894755 APYVKPWTLQWMEO-IHRRRGAJSA-N 396.444 -0.856 30 20 GBED CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](S)C(C)C)C(=O)O 1793383254 OEXHYSHFNGBOMK-CUZKYEQNSA-N 387.502 -0.407 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2[nH]ncc12 1796160245 GFDBJQZHEZJSHO-KSPBDQMDSA-N 382.376 -0.146 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)NCC 1797695059 QRVJXGUTTFHLNQ-DGADGQDISA-N 394.472 -0.678 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCOC1 1801509720 QZNIRHGBHRRJOY-PRARKCSGSA-N 377.441 -0.529 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831894110 UOYNQYHGQCXTQV-ACJLOTCBSA-N 395.481 -0.226 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1835704943 ABIDDXMYSFTKFT-AZUAARDMSA-N 386.452 -0.049 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCO2 1837736421 JASLRMRYYWBTPW-MAUKXSAKSA-N 383.445 -0.830 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3CCCCO3)C2)C1 1840040876 CHDQAXBQBXIZNY-DNVCBOLYSA-N 394.424 -0.510 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1840041179 WSXDKQCWLBVIQH-GOSISDBHSA-N 390.348 -0.993 30 20 GBED C/N=C(/NC[C@H]1CCC[C@@H]1O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261758887 CUKIXYVEALQYGE-HIFRSBDPSA-N 385.490 -0.142 30 20 GBED C#CCNc1nc(N2CCC[C@H](C(N)=O)C2)nc(N2CCC[C@H](C(N)=O)C2)n1 287001359 OYQUFIGXRHZPHT-STQMWFEESA-N 386.460 -0.680 30 20 GBED C[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(CC#N)CC#N)C[C@H]1O 349482472 RZIKSXMNPSALCL-QWHCGFSZSA-N 398.466 -0.274 30 20 GBED N#CC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc3ncnn3c2)C1 349509906 ZQDMHRNHWGBSBN-UHFFFAOYSA-N 384.443 -0.354 30 20 GBED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 368723524 DZGGFVPSIDOBKS-HOCLYGCPSA-N 380.422 -0.002 30 20 GBED N#Cc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)cc1 469616879 DXKQDLASRWDFIT-UHFFFAOYSA-N 392.393 -0.276 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2nnnn2-c2ccccc2)C1=O 512043519 ZHMUQIGCURJNAW-UHFFFAOYSA-N 383.368 -0.702 30 20 GBED N#Cc1cccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 519152989 SEBVGJWXSYCHHB-UHFFFAOYSA-N 390.421 -0.460 30 20 GBED NS(=O)(=O)NC[C@@H]1CCCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 528381910 RSNWVSMTMLWKSB-AWEZNQCLSA-N 390.465 -0.209 30 20 GBED CN(C)S(=O)(=O)C[C@H](NC(=O)NCCn1cnc(C#N)n1)C(F)(F)F 558121877 FJXBJOKDNJVCKS-QMMMGPOBSA-N 383.356 -0.729 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)NC2(C(N)=O)CC2)c1 571894835 MNXZJKSVDKOPRS-SNVBAGLBSA-N 386.455 -0.485 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)CC1 602244103 AICDFNMWWLSASS-DLBZAZTESA-N 377.489 -0.196 30 20 GBED CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccc(F)cc2C#N)CC1 611015907 NZNDRTWXWHSRSL-UHFFFAOYSA-N 390.462 -0.447 30 20 GBED COCCNC(=O)[C@@H](C#N)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 748482311 LBXCGOLJDNKWFM-ZDUSSCGKSA-N 377.357 -0.135 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2cc(=O)n3ccsc3n2)C1=O 751093523 CHBXKFJTGAHWGL-UHFFFAOYSA-N 376.350 -0.224 30 20 GBED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCS(C)(=O)=O)[C@H](C#N)C1 757899694 VRAQIPNRHZHOJI-LLVKDONJSA-N 381.476 -0.194 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1 787757610 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C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CN(c3ncc(C#N)cc3Cl)C[C@@H]2O)O1 1044754851 CYWNEUSWSJLJQZ-QPKOPYBWSA-N 379.848 -0.009 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCNC(=O)C1 1095432924 NTZOURYLVXRBRZ-NRKLIOEPSA-N 390.484 -0.353 30 20 GBED CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)CC1 1118898885 QAVFXKLZZYCJOX-HNNXBMFYSA-N 377.445 -0.664 30 20 GBED N#C[C@@H](C(=O)CCNC(=O)OCC(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 1122496730 ORWWIIKWWYOTLS-VIFPVBQESA-N 399.347 -0.369 30 20 GBED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C2(C#N)CCOCC2)c1 1318354445 WXLWBYJJCCOJPK-UHFFFAOYSA-N 380.426 -0.030 30 20 GBED CCOCCOC1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1327233111 QOHUDQCPXHJJFR-UHFFFAOYSA-N 387.440 -0.134 30 20 GBED C=CCN(C(=O)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1)[C@H](C)COC 1329952277 PATHOPSDFBBKQC-CVEARBPZSA-N 380.489 -0.294 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CCN1C1CC1 1331882309 YZXRIESEKBASGN-HZPDHXFCSA-N 389.456 -0.965 30 20 GBED COC(=O)C1(NCC(=O)NCc2cccc(C#N)c2)CCS(=O)(=O)CC1 1344610356 IJXRSWXPAWZZEB-UHFFFAOYSA-N 379.438 -0.116 30 20 GBED CCN1CCC(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 1344844245 TXIUYXYYCCTBTR-CQSZACIVSA-N 385.472 -0.014 30 20 GBED Cn1cc(N2CC[C@H](NC(=O)C(=O)NCCNc3ccc(C#N)cn3)C2)cn1 1346580367 KPDICFHDTBUMAG-AWEZNQCLSA-N 382.428 -0.390 30 20 GBED CNC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1517596443 XSTDQAYZWAHVMW-HNNXBMFYSA-N 383.460 -0.009 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCOC1 1574936490 ANCIZLZCZXABHW-KRWDZBQOSA-N 381.400 -0.356 30 20 GBED C=C(C)CCC(=O)NC1(CO)CCN(C(=O)CC(=O)NCc2cnn[nH]2)CC1 1575050091 WTRATVOVNHRFQD-UHFFFAOYSA-N 392.460 -0.363 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)s1 1588351400 SJCBHODVZOOYEA-JSGCOSHPSA-N 389.485 -0.408 30 20 GBED C=CCCO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 1588608821 QVRGXEHHJACPPP-YVEFUNNKSA-N 388.432 -0.305 30 20 GBED C=CCOCC(=O)N1CC[C@]2(C1)CN(c1nccnc1-c1nn[nH]n1)CCO2 1588667325 WGHLOKKKJBSZDD-KRWDZBQOSA-N 386.416 -0.333 30 20 GBED COc1ccc(CCNC(=O)Cn2c(N)nc(-c3nn[nH]n3)c2C#N)cc1OC 1591584742 BLLIRIQVIANUNF-UHFFFAOYSA-N 397.399 -0.107 30 20 GBED Cn1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)n1 1767502782 URLAQMDPOXGPLK-UHFFFAOYSA-N 393.411 -0.158 30 20 GBED N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCC(=O)N2CCOCC2)CCO1 1770749503 ZKYMUEWBLOZZKW-GJZGRUSLSA-N 390.444 -0.240 30 20 GBED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779021609 QXGSKLNLAMCOCA-PNZWGNKRSA-N 393.488 -0.187 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780247646 TUUMZAGUSCBILF-LIRRHRJNSA-N 390.440 -0.214 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)n(C)n3)[C@H]2C1 1785589906 DNNMLUXZLDPQRK-HOSILWTGSA-N 390.440 -0.243 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790177376 QTXJSIOYAOBDPC-WFGGJUAMSA-N 381.429 -0.558 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793260178 FJIZRPCJCMDXAE-OCVGTWLNSA-N 379.413 -0.946 30 20 GBED Cn1ccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597707 BAMHDDDBKYQQHC-QDMKHBRRSA-N 388.472 -0.095 30 20 GBED CNC(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797781377 ZECDQVPXFMPOMS-CCWDJLKJSA-N 391.468 -0.589 30 20 GBED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H](O)CN2)c1 1799142760 FWXNIFAVFQURPP-PJVZLEMVSA-N 398.463 -0.207 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1803650428 LCXHLWMAAQDLQA-HEHGZKQESA-N 386.364 -0.716 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)CCn2cncn2)[C@H]1c1cccnc1 1813321904 QCPUDALFEVEYDJ-HNAYVOBHSA-N 396.407 -0.143 30 20 GBED Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)no1 1830053232 ILAJPDBMKQEVRB-GOSISDBHSA-N 391.428 -0.073 30 20 GBED Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)no1 1832924037 DVXKWMKSAKIVLE-QGZVFWFLSA-N 377.401 -0.319 30 20 GBED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833469284 PDVPKBGILNIWSM-HNNXBMFYSA-N 389.452 -0.316 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(C)=O)CCO2)C1 1834864927 VDFZXKBTUHTLPA-LPHOPBHVSA-N 380.441 -0.150 30 20 GBED Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1 1836196316 OFNGAIBAWHISGZ-IBGZPJMESA-N 387.440 -0.048 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1 1837397912 XOEPFMBVFNVBHY-DOXZYTNZSA-N 383.489 -0.389 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838367719 UPJUNRRBKWZXBS-GOSISDBHSA-N 389.412 -0.198 30 20 GBED CCNC(=S)NCC(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1845758988 GGVGZBDZQUTUML-UHFFFAOYSA-N 394.545 -0.044 30 20 GBED C=C(C(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1)C(F)(F)F 1845810642 PJDURMUEHUBUJR-UHFFFAOYSA-N 377.319 -0.149 30 20 GBED CCNS(=O)(=O)[C@H]1CCN(/C(=N/C2CCOCC2)NCC(=O)N(C)C)C1 262314159 QHHHTHFCCBFHLT-AWEZNQCLSA-N 389.522 -0.787 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](CO)c1cnn(C)c1 272345716 NSFQEZATMMNGGO-ABAIWWIYSA-N 377.426 -0.192 30 20 GBED CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 283613820 ZSAPIXUJFLSLFK-AWEZNQCLSA-N 395.423 -0.104 30 20 GBED CN(C)CCNC(=O)c1cccc(CNC(=O)NCCn2cnc(C#N)n2)c1 287776607 KEMCTNZUXKHHCL-UHFFFAOYSA-N 384.444 -0.059 30 20 GBED CC[C@H](CNS(C)(=O)=O)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 298215485 VDXACJNFHHTECJ-QWHCGFSZSA-N 395.489 -0.104 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCNC(=O)c2cccs2)C1=O 299667380 XQJFJXDPSSZSNT-UHFFFAOYSA-N 378.410 -0.039 30 20 GBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)NC[C@H]1CCCN1S(C)(=O)=O 328788361 KBKNLDNQRDDNSK-VXGBXAGGSA-N 382.508 -0.662 30 20 GBED CN1C(=O)CO[C@@H](/C(O)=N/CCN2C(=O)CCCC2=O)[C@@H]1c1cnn(C)c1 329982441 OWWCAXCIFKBEKL-JKSUJKDBSA-N 377.401 -0.186 30 20 GBED CC(C)C/N=C(/O)NC(=O)CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 330743030 CGURNOBGYBBIFT-CQSZACIVSA-N 390.506 -0.201 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(O)nn1 349518700 OJQHYHBHODUSOA-JTQLQIEISA-N 377.448 -0.265 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1 378530211 DOMSWFVZRUTTBI-UHFFFAOYSA-N 390.425 -0.462 30 20 GBED CC#CCCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 440735306 WJGPSTUKGDWLRV-ZIAGYGMSSA-N 375.429 -0.013 30 20 GBED CN(CC(=O)Nc1cn(C)c(=O)n(C)c1=O)S(=O)(=O)c1ccc(C#N)cc1 562909257 JQKXTRNTCMULPP-UHFFFAOYSA-N 391.409 -0.785 30 20 GBED COc1cncc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)n1 581314776 DZEIYIKIHJYVDV-LLVKDONJSA-N 382.384 -0.177 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 596750245 VBDVZHNQGLCQCU-UONOGXRCSA-N 379.442 -0.403 30 20 GBED O=C(NCC#CCNC(=O)[C@@H]1CCCc2nn[nH]c21)[C@@H]1CCCc2nn[nH]c21 613395380 QCLRPMRFYFDRJA-VXGBXAGGSA-N 382.428 -0.301 30 20 GBED C[C@H](CC(=O)NC[C@H]1CN2CCN1CC2)/N=C1/NS(=O)(=O)c2ccccc21 746915155 RDAWPTWRLXUWSO-KGLIPLIRSA-N 391.497 -0.380 30 20 GBED C#CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccnn2C)c1=O 758059701 SQKQVZQSVNVWMP-UHFFFAOYSA-N 390.428 -0.187 30 20 GBED CCCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 769775795 UEJQEGFRINRMCU-UHFFFAOYSA-N 382.398 -0.384 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)[C@@H]1CCCO1 809313797 VFBCHOFJGCHOSX-KBMXLJTQSA-N 376.457 -0.905 30 20 GBED Cc1nc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nn1C 815562001 VIRCMVRLHLIJMM-WDEREUQCSA-N 377.405 -0.063 30 20 GBED C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1S(=O)(=O)CCCC#N 820804715 XYVVDMQYIQZHJJ-LLVKDONJSA-N 377.434 -0.199 30 20 GBED CS(=O)(=O)N=S1(=O)CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 821287236 FRFUNKVSLHQGRF-UHFFFAOYSA-N 384.483 -0.082 30 20 GBED CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 827916640 KLLMNFAMKZRVMU-UHFFFAOYSA-N 384.483 -0.181 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(CO)COC(C)(C)OC1 834488760 KZJVJEIZOANIQN-GFCCVEGCSA-N 397.453 -0.145 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 949484481 IOJHRJXSDNDPAI-FXUDXRNXSA-N 379.457 -0.035 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnn2CCOC)C[C@@H]1O 964615087 FPXUOBCQFNMPBM-JHNDHUHGSA-N 392.456 -0.188 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cnc(O)n(C)c3=O)[C@@H]2C1 1022340802 ZAMJYBDGEJBVPL-MXYBEHONSA-N 388.424 -0.250 30 20 GBED CNS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 1117352696 YSBHELFFQSMGFG-HUUCEWRRSA-N 378.454 -0.050 30 20 GBED N#C[C@H](C(=O)c1ccc(N2CCNC2=O)cc1)C(=O)N1CCS(=O)(=O)CC1 1122497315 XNHMGAGAJGCUKO-CQSZACIVSA-N 390.421 -0.204 30 20 GBED C[C@H]1CN(C[C@@H]2CCCN2C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H](C)O1 1142372027 ZZVDYJBTPPKVEJ-GUTXKFCHSA-N 375.429 -0.079 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1 1194631318 BLICASNKUJWPFU-BSDSXHPESA-N 392.500 -0.027 30 20 GBED C[C@@H]1C[C@@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C(=O)N1c1cnn(C)c1 1322236769 RZNSBAUNBGWNQG-ZCVVHXNJSA-N 386.412 -0.053 30 20 GBED CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(OCC#N)cc1 1322466732 SPOLQVSFDUUPGK-CQSZACIVSA-N 394.453 -0.255 30 20 GBED CCN1C(=O)[C@H]2CN(C(=O)C(=O)NCC3CCC(C#N)CC3)CCN2C1=O 1324401587 ZSEATKAGWGYNQV-JXQTWKCFSA-N 375.429 -0.073 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N2C[C@@H](O)C[C@@H](C(=O)OC)C2)n1 1326544413 HWGRRXBNWDJJTO-HIFRSBDPSA-N 376.413 -0.753 30 20 GBED CCN1C[C@H](C)N(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1326597129 PELZVZAQOIHFFD-MMEFHMBZSA-N 377.445 -0.430 30 20 GBED CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1326597357 QLYUDTRDBFVROE-XROPSADXSA-N 392.412 -0.569 30 20 GBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC(N3C[C@@H](C(=O)O)CC3=O)CC2)C1 1326859038 PQOYCMMEUCOSFZ-RWMBFGLXSA-N 376.413 -0.281 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)CC1 1332376210 ICSSJVYZCSKSJF-MRXNPFEDSA-N 392.500 -0.414 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 1343812017 RKIRCMJOISISPN-WBVHZDCISA-N 394.472 -0.719 30 20 GBED N#Cc1cccc(NC(=O)CCN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 1345017799 QKYXTTZSETXVSI-IAGOWNOFSA-N 392.481 -0.338 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@H](CO)NCc1ccc(F)c(-c2nn[nH]n2)c1 1573286616 GHWPWZQCMLGZBE-DGCLKSJQSA-N 376.392 -0.389 30 20 GBED C=CCOCC(=O)N1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H]2CCNC2=O)CC1 1575109005 ULRZCMGCDLZDJN-OAHLLOKOSA-N 390.444 -0.537 30 20 GBED C[C@H](OCc1cnn[nH]1)C(=O)NC1(CO)CCN(c2cnc(C#N)cn2)CC1 1575843771 PLOONLULBXNLSY-LBPRGKRZSA-N 386.416 -0.481 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@]12COCCN1C(=O)OC2 1581856011 TVPJXICTOWSQMB-KSSFIOAISA-N 397.395 -0.114 30 20 GBED N#Cc1ccc(C(=O)NC[C@H]2CN(c3cncc(-c4nn[nH]n4)n3)CCO2)[nH]1 1581867302 CGBOMBBWGBBNMA-NSHDSACASA-N 380.372 -0.508 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O 1602752911 ITUGHJXRPOSWAQ-CMPLNLGQSA-N 390.404 -0.591 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1-c1nn[nH]n1 1602770279 WHHFZBZJLWIYSB-WWGRRREGSA-N 387.444 -0.104 30 20 GBED C[C@H](C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1)n1cnc(C#N)n1 1602997996 DDTURSHNYMRTKY-LLVKDONJSA-N 379.388 -0.365 30 20 GBED C#CCOc1ccccc1NC(=O)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1609021667 SBBFFPLCDWDSEO-UHFFFAOYSA-N 381.356 -0.775 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)Cn3cnc(-c4nn[nH]n4)c3C#N)CC2)o1 1609446923 XCEKACYNBZIVTH-UHFFFAOYSA-N 393.371 -0.548 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1781268477 QFPTZFCRGZZOIB-QGZVFWFLSA-N 377.401 -0.242 30 20 GBED CCN(CC)C[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565110 IMIZVZFKBMYJAX-HNAYVOBHSA-N 379.457 -0.118 30 20 GBED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)c4nccnc4C(N)=O)CCO3)C2)CCC1 1785366348 DOFHUEKMAWALFJ-IBGZPJMESA-N 398.423 -0.287 30 20 GBED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(O)O)c(C#N)c1 1792798860 AYQMSGFZEHYCCG-XOIINTDNSA-N 389.408 -0.990 30 20 GBED C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1793366879 WBJCNJHWEQOTEO-JJAZEVLHSA-N 382.482 -0.330 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 1795287448 HWRLAPNWOHQMCW-RGHULWKBSA-N 379.457 -0.572 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2 1799304184 UPMKHQDRRWAQKJ-DABQJJPHSA-N 378.385 -0.218 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nccn1 1799411785 SIWOZHBTOTVPQV-XOIINTDNSA-N 391.428 -0.623 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H](O)CN1 1799918808 KCKYZHRQBDNQGP-QRJUGERDSA-N 377.489 -0.371 30 20 GBED NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1800518174 LQOJATCHGAZITQ-AACUENJTSA-N 396.444 -0.630 30 20 GBED CCN1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CC1 1802174529 VGMQUFZYCRIGNE-JLVBRIDZSA-N 377.441 -0.604 30 20 GBED N#CCC(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1806286949 DQBOZVCQYPJUDS-LPHOPBHVSA-N 389.456 -0.712 30 20 GBED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1 1807196322 UBXIIIPFVXJIOW-DCDXPUDHSA-N 393.513 -0.002 30 20 GBED N#CCC(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810351125 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-0.524 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)CC1 1835348492 ZHWIHKQFTLCXHT-IFXJQAMLSA-N 390.440 -0.727 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1839867503 KLMYKUWRRMKFGR-KSSFIOAISA-N 397.497 -0.502 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1840175040 DEYKSDBNXBEBAT-GOSISDBHSA-N 392.412 -0.407 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NCC=C)C2)C1 1840839768 FOGXNZLUHWCEQS-WHXUGTBJSA-N 389.452 -0.285 30 20 GBED C/N=C(/NC[C@H]1CCC[C@H]1O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261758888 CUKIXYVEALQYGE-UKRRQHHQSA-N 385.490 -0.142 30 20 GBED N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H](CNS(N)(=O)=O)C2)cc1 267116406 YZDZSQAUUSDRAC-CQSZACIVSA-N 386.499 -0.163 30 20 GBED C=CCn1c(=O)/c(=C\c2cncs2)s/c1=C(/C#N)C(=O)N1CCOCC1 268937584 AJZKKCKVJOOCTE-IHRRDAEPSA-N 388.474 -0.086 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(OC)c(-n3cnnn3)c2)CC1 273070540 ZQFJNXHFOTZSIC-UHFFFAOYSA-N 397.439 -0.432 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCCNC(=O)c1ccco1)c1cc[nH]n1 276483321 FIFKNJIVUAYRSH-KGENOOAVSA-N 377.357 -0.167 30 20 GBED N#C[C@H]1CN(S(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)CCO1 295628429 FPCYFASJGIQHAJ-ZDUSSCGKSA-N 393.421 -0.147 30 20 GBED COC[C@H](C)NC(=O)/C(C#N)=c1/s/c(=C\c2cnn(C)c2)c(=O)n1C1CC1 297931779 SUWQZMNBGMSCTD-BDVLGTCHSA-N 387.465 -0.368 30 20 GBED C#CCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 298082835 GTOXATSSZQTWMT-GFCCVEGCSA-N 391.453 -0.700 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCCO[C@@H](CF)C1 349473731 ZHWZUIUHXNKEKE-STQMWFEESA-N 385.483 -0.060 30 20 GBED CCOC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2n[nH]c(C)c2C#N)C1 349524696 NVNAOTRKSDSBQN-UHFFFAOYSA-N 391.475 -0.228 30 20 GBED C[C@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)Nc1ccc2ncnn2c1 349577135 UCMHJYGUJVWGSG-LLVKDONJSA-N 386.459 -0.060 30 20 GBED Cc1nc2n(n1)CCN(S(=O)(=O)CCCCS(=O)(=O)N[C@@H](C)C#N)C2 349588754 BGHMMYRMJUIRIZ-NSHDSACASA-N 390.491 -0.656 30 20 GBED C#CCN=c1nc(N2CCO[C@H](COC)C2)[nH]c(N2CCO[C@H](COC)C2)n1 367434828 KTWJFLMAQJORMH-GJZGRUSLSA-N 392.460 -0.958 30 20 GBED CCN(CCC#N)S(=O)(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1 410158482 HGSXTQWAWZVTHY-HNNXBMFYSA-N 389.522 -0.374 30 20 GBED C=CCn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508479540 AYPTYAHXORAVGZ-QWHCGFSZSA-N 378.433 -0.665 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)C[S@@](C)=O)CC2)c1C#N 519786195 WDKPVGBRUHARSS-KPHLJTLVSA-N 380.474 -0.868 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCOC[C@H]2c2ncon2)cc1 564521540 PLNKHGAMXDJCFG-ZDUSSCGKSA-N 377.382 -0.180 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)C(=O)NCCF 569355409 KYYAWRSKCUETTC-SNVBAGLBSA-N 392.434 -0.759 30 20 GBED C[C@H](CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C(=O)O 594542512 DPDIBXYQANFCRT-SNVBAGLBSA-N 375.385 -0.091 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCN([C@@H]4CCOC4)CC3)CC2)nc1 595129599 DXNSVNLGSXDUTL-QGZVFWFLSA-N 398.467 -0.465 30 20 GBED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)CCO1 595171381 DLUFVBXWEIFBMH-CYBMUJFWSA-N 391.453 -0.758 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)OCCCN2C(=O)CNC2=O)c1 733426573 WDQNXYOLGKPGQB-UHFFFAOYSA-N 379.394 -0.303 30 20 GBED C#CCOc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 771893296 YFNRYFORURKMHG-UHFFFAOYSA-N 376.394 -0.592 30 20 GBED COC(=O)c1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)oc1C 771896662 GCOSJRFBUOUCMF-UHFFFAOYSA-N 384.370 -0.916 30 20 GBED C=CCS(=O)(=O)NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 772712252 AQEIROKGCUUHCL-UHFFFAOYSA-N 388.423 -0.277 30 20 GBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 799286311 GTMNEMBUIDMGJG-CYBMUJFWSA-N 383.426 -0.303 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 810036490 HWLNULAEHTZQKK-UHFFFAOYSA-N 387.487 -0.154 30 20 GBED CCC1(CC)C(=O)NCCC1=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 819809660 WOLAPOUFFADEPY-UHFFFAOYSA-N 385.446 -0.955 30 20 GBED CS(=O)(=O)C1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 837149293 WMOZYLJLKMQTGQ-UHFFFAOYSA-N 385.467 -0.239 30 20 GBED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(C)c2)c1=O 838244355 XDUORHBRVHORKB-UHFFFAOYSA-N 375.454 -0.683 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCOCC[C@@H]1C 848958935 NEYSCLMXYWYLRC-AWEZNQCLSA-N 377.488 -0.394 30 20 GBED C#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1c[nH]ccc1=NC(C)=O 848961551 BGJNMESXFNQFKR-UHFFFAOYSA-N 388.471 -0.512 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 875596024 GTEMSKNJPOUJGM-GJZGRUSLSA-N 385.486 -0.443 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnnn2CC)C[C@@H]1O 964193598 NZTSMADCSVBKAF-XRGAULLZSA-N 377.445 -0.029 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@@H]1O 970706113 AZQFPPYKUZEXHY-ZZVYKPCYSA-N 377.397 -0.800 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2ncn(C)c2=O)cn1 1003782937 RVXMVWSFFJLRFS-OAGGEKHMSA-N 380.408 -0.480 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CNC1=O 1006468230 GQSPMTOJIPNBNJ-RBUCKAEESA-N 390.440 -0.233 30 20 GBED C=CCN[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C[C@@H]1n1ccnn1 1070272348 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395.500 -0.086 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CNC3(C(N)=O)CCOCC3)CC2)o1 1347137331 MJNHLXGBWPTOMZ-UHFFFAOYSA-N 376.417 -0.873 30 20 GBED CO[C@]1(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CCS(=O)(=O)C1 1356277293 KVSMNYPJXCIZRL-MLGOLLRUSA-N 379.442 -0.411 30 20 GBED C#CCNC(=O)[C@@H](C)N1CCC(N(C)C(=O)CCOCc2cnn[nH]2)CC1 1574985842 MJNKCNIQQZLRNQ-CQSZACIVSA-N 376.461 -0.228 30 20 GBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cnn[nH]3)cn2)C1 1575013597 RWEKDHYWLINATL-HZPDHXFCSA-N 384.396 -0.792 30 20 GBED C[C@H](NCC(=O)NCc1cnn[nH]1)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 1575670733 JOUVJCURMOWNPH-NHYWBVRUSA-N 386.416 -0.860 30 20 GBED COCCN(CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1cncc(C#N)n1 1579801004 YDGAROUMDYGTLN-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)O)cc1 1588843643 CKQSDHBDJHTLTK-ZIAGYGMSSA-N 375.381 -0.023 30 20 GBED CN(C[C@H](O)CN(C)c1ccc(-c2nn[nH]n2)cn1)C(=O)CSCC#N 1591044277 KXJNJPMSLSEQLG-GFCCVEGCSA-N 376.446 -0.226 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)N2CCN([C@]3(C(=O)O)CCOC3)CC2)cc1 1601093568 ASCBETDMLYIHOI-LJQANCHMSA-N 386.408 -0.324 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H](CC2OCCO2)C(=O)O)cc1 1601102138 CEMRWTHKJLGPSY-CYBMUJFWSA-N 382.394 -0.195 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 1602721367 GMNHIAKMFYHTOQ-IHRRRGAJSA-N 379.428 -0.456 30 20 GBED C#CCO[C@H](C)C(=O)N[C@]1(CO)CCCN(c2ncccc2-c2nn[nH]n2)C1 1602725804 NBVBRDNOAPFTJP-FZKQIMNGSA-N 385.428 -0.253 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCO[C@@H](CNc2cnc(-c3nn[nH]n3)cn2)C1 1602726184 QEOLIZWTFMBVEB-STQMWFEESA-N 386.416 -0.276 30 20 GBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1602868697 UOIINRPQILSJNS-LBPRGKRZSA-N 375.389 -0.645 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)C[C@H]2C)nn1 1602882334 IKUVBBJEJIRRSQ-MNOVXSKESA-N 381.404 -0.429 30 20 GBED CCN(CC)C(=O)[C@@H]1CSCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1624681078 SHVGAFWARLSDLE-LBPRGKRZSA-N 379.442 -0.019 30 20 GBED N#CCC1(CS(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 1661175682 SUUODONKYILAAP-OLZOCXBDSA-N 377.488 -0.903 30 20 GBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)[C@H]2SC(=N)NC2=O)C1 1778085065 QXOQIIDEBSILDH-LZDVPDMXSA-N 392.481 -0.064 30 20 GBED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)C(O)O)CCO3)c1 1780167333 PPOHILJDVZHXET-SFHVURJKSA-N 375.381 -0.679 30 20 GBED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1783923713 GDVVXRVFTRZLRH-SJLPKXTDSA-N 379.413 -0.264 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784593013 VSDVZSHHINQPHW-CKEIUWERSA-N 376.417 -0.898 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)N(C)C)[C@H]2C1 1786743432 JPAAPOXSMIDIIK-KKUMJFAQSA-N 395.456 -0.436 30 20 GBED C[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794091987 DUGZKPOPUSOERJ-FQUUOJAGSA-N 389.543 -0.327 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccnc2C(N)=O)C3)CC1 1795409182 PEZNTGMVJQODFL-DABQJJPHSA-N 383.408 -0.313 30 20 GBED Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)S)C3)no1 1797829739 OWCOSQNWXZVTEZ-MCYUEQNJSA-N 396.469 -0.379 30 20 GBED COCCOCC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812876100 BJXFOVFCFOPLQW-BEFAXECRSA-N 389.408 -0.162 30 20 GBED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCC(=O)N2)CC1 1826539037 SGNKRUUYSLYANK-LSDHHAIUSA-N 375.425 -0.027 30 20 GBED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CNC(N)=O)sc2C1 1828317380 FPBXHGIQZYOYKA-ZJUUUORDSA-N 379.442 -0.238 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)N(C)C)CCO2 1830049112 ZQJKWQGLBOFKHW-IBGZPJMESA-N 394.472 -0.483 30 20 GBED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)Cn3cnnn3)CC2)CC1 1834875871 KLNZRACVAALIOY-GFCCVEGCSA-N 381.506 -0.437 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1836114309 GRXOYSWBYFOVTD-QGZVFWFLSA-N 376.438 -0.342 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CC)C2)C1 1837390599 CBLOYFOAHGTPHD-YZVOILCLSA-N 384.473 -0.213 30 20 GBED Cc1nn[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838736346 ZFUOTNAYEOXKQD-GOSISDBHSA-N 399.411 -0.303 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/C)CCO2 1839811754 MULAJGYATCDRPJ-DBZOAYAQSA-N 377.441 -0.123 30 20 GBED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1840296013 QCWYRQAXWWCHFU-GOSISDBHSA-N 380.445 -0.695 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840568943 XAOGXOWUDLFJST-DNVCBOLYSA-N 379.457 -0.957 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cncn4)C3)C2)CCC1 1840813028 ZEZCKKLSJCUZHP-SFHVURJKSA-N 388.428 -0.572 30 20 GBED C=C(C(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1)C(F)(F)F 1844297866 LTLIVFBVHCPKCS-ZDUSSCGKSA-N 377.363 -0.041 30 20 GBED CN(CC(=O)N1CCCC12CN(C(=O)c1ccc(C#N)cc1)C2)C(=O)C(=O)O 1845810066 AHBJSXIKKSZBFB-UHFFFAOYSA-N 384.392 -0.082 30 20 GBED C=CCN1CC[C@@H](N(C)CC(=O)c2c(O)nc(=O)n(CCOC)c2N)C1=O 281191579 BTWLBXDQATYWRU-LLVKDONJSA-N 379.417 -0.921 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)NC)CC2)c1 299211653 OCDPHXNPMBZEHP-UHFFFAOYSA-N 380.470 -0.345 30 20 GBED CC1(C)CN(C(O)=Nc2cnn(CC(=O)N3CCOCC3)c2)CCS1(=O)=O 329783211 UYAJOGDCNZBCMV-UHFFFAOYSA-N 399.473 -0.204 30 20 GBED C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)CCCS(=O)(=O)NCC#N 349463042 BEMWAMLGNJKNJA-KGLIPLIRSA-N 378.520 -0.292 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)CC1=O 349472662 GTCHVECPIZKPLN-GFCCVEGCSA-N 380.492 -0.956 30 20 GBED CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N1CC(C#N)C1 349495911 GINQJIKLZBYBNM-UHFFFAOYSA-N 386.459 -0.308 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@H](N3CCCC3)C2)CC1 349524545 PQPHUYOWHIYQTM-AWEZNQCLSA-N 390.531 -0.148 30 20 GBED Cn1cnc(NS(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CCCC2)n1 349536715 ORIVPFKQNAQGOY-UHFFFAOYSA-N 390.491 -0.050 30 20 GBED CN(CCS(=O)(=O)c1ccc(C#N)cc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 478414879 LTMOBSXZWZLTME-AWEZNQCLSA-N 399.494 -0.433 30 20 GBED CCCCn1c(=O)nc(O)c2c1nc(Cn1c(=O)c(C#N)cn(C)c1=O)n2CC 498127653 PQVWBBWRUTWZHD-UHFFFAOYSA-N 399.411 -0.101 30 20 GBED CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 502014904 KSOJJCQDNQEHRV-HOTGVXAUSA-N 387.440 -0.088 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](C)Cn3cccn3)CC2)c1C#N 551506760 FUNHPEZAOIVHFC-AWEZNQCLSA-N 398.471 -0.102 30 20 GBED C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN(C)C 552312062 OEWDJNHAOFZRHL-CYBMUJFWSA-N 395.485 -0.639 30 20 GBED N#Cc1cccnc1-n1cc(NC(=O)NCCOCCS(N)(=O)=O)cn1 588278130 QDNLYVPMUHTCRE-UHFFFAOYSA-N 379.402 -0.434 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 735382196 VWPFGNNQRFBKGY-UHFFFAOYSA-N 382.428 -0.828 30 20 GBED CS(=O)(=O)N1CCN(CCNC(=O)C#Cc2ccc3c(c2)OCO3)CC1 762061696 QCDXRFPWXGWKEI-UHFFFAOYSA-N 379.438 -0.540 30 20 GBED COCCNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)c1 764031186 VYPDVFULXDEJHY-INIZCTEOSA-N 398.441 -0.095 30 20 GBED CCOC(=O)[C@](C)(O)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 768728707 FIQHNXZLAMSEOS-MRXNPFEDSA-N 383.426 -0.455 30 20 GBED CN(CC(=O)NS(=O)(=O)CCCC#N)C1=NS(=O)(=O)c2ccccc21 776123518 NXPZMLFEWJVQSW-UHFFFAOYSA-N 384.439 -0.183 30 20 GBED N#CCc1ccccc1CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 776871867 XVSUPWJAQCYDFU-IAGOWNOFSA-N 377.466 -0.091 30 20 GBED Cc1ccc(S(=O)(=O)NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)cc1 807943085 OIHHXQVPHGMNSP-UHFFFAOYSA-N 379.442 -0.229 30 20 GBED C#C[C@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C2CCN(C)CC2)C1)[C@@H]1CCCO1 809305406 CIAJZZICWDJBGY-SQNIBIBYSA-N 376.501 -0.090 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cn(-c3cccc(OC)c3)nn2)CC1 823084693 YSNUHBCFEDAVLG-UHFFFAOYSA-N 382.424 -0.217 30 20 GBED COC(=O)[C@H]1CNCCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 843481001 ZYCSZYSOBOLVDZ-CYBMUJFWSA-N 394.453 -0.521 30 20 GBED CCN(C[C@H](C)C#N)C(=O)CN1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 846963734 BABBJBUHBUSYOH-CYBMUJFWSA-N 393.535 -0.415 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](CO)C1 848955793 DVAHLKOLNVHSTO-AWEZNQCLSA-N 397.478 -0.163 30 20 GBED C#CC[C@H](NC(=O)c1cccc(C(=O)N[C@@H](CC#C)C(=O)OC)c1N)C(=O)OC 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C=CCCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1044650615 AAALDLHHJZAXSA-FXUDXRNXSA-N 382.457 -0.291 30 20 GBED NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(CC#Cc3ccc(Cl)cc3)C[C@H]2O)O1 1077669954 XHZYQGSSJBRADV-WCXIOVBPSA-N 391.855 -0.114 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCCC1=O 1110271170 PSUYABAJCBRAMG-MCIONIFRSA-N 377.445 -0.658 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)CCOC)cc1 1116921808 JABTZNCDAUXPOI-AWEZNQCLSA-N 382.438 -0.064 30 20 GBED N#CCN1CCC[C@H](CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 1318920919 XTZPRYBNBVITMD-ZIAGYGMSSA-N 395.485 -0.496 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](O)CN1CCCC1=O 1319896376 VAWRQYSOXSSWOJ-JSGCOSHPSA-N 394.453 -0.675 30 20 GBED CS(=O)(=O)CCCNC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1322315075 HKRQGTAMIISZHO-UHFFFAOYSA-N 396.444 -0.103 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1=O 1328296550 WWKDPUOIDXNTSL-CVEARBPZSA-N 378.473 -0.399 30 20 GBED C=CCn1c([C@@H]2CCC(=O)NC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1339743851 JOHYTCUPBZWVTA-CQSZACIVSA-N 375.477 -0.332 30 20 GBED C#CCN(C(=O)C(N)=O)C1CCN(Cc2ccc(-c3nn[nH]n3)cc2F)CC1 1573283999 YVDNVAKLELUTSU-UHFFFAOYSA-N 385.403 -0.083 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OC)[C@@H](C(=O)O)C2)c1 1573311801 YTDOTWSWEPFWNH-UONOGXRCSA-N 394.405 -0.456 30 20 GBED C=CCn1cc(C(=O)N[C@]2(C)CCN(c3ccc(-c4nn[nH]n4)nn3)C2)nn1 1573351619 UOMSIBWKRHMUDU-MRXNPFEDSA-N 381.404 -0.167 30 20 GBED C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN 1574486280 MBENVQGQSGDEQH-MELADBBJSA-N 384.506 -0.336 30 20 GBED C=CCNC(=O)Cn1c([C@H]2COCCN2)nnc1N1CCOCC2(CC2)C1 1574936648 NJIMLHPMMPDKPO-CQSZACIVSA-N 376.461 -0.142 30 20 GBED C#CCNC(=O)CC(=O)N1CCO[C@](C)(CNC(=O)CCCc2cnn[nH]2)C1 1575004829 MYPNDTSWKNLCHO-GOSISDBHSA-N 390.444 -0.999 30 20 GBED C=CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1575104626 UMTRJVGBPHLQLM-CABCVRRESA-N 389.460 -0.979 30 20 GBED C#CCOCCC(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nn[nH]n2)s1 1588361393 LPHSGRYBWBDQEA-QMMMGPOBSA-N 385.837 -0.095 30 20 GBED C#CC[C@@H](NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)C(=O)O 1588407957 SFAZXVHSGCOLOT-CYBMUJFWSA-N 383.426 -0.529 30 20 GBED C=CCOC[C@H](NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C)C(=O)O 1588856561 MMOPHHNGSLIBLF-UBHSHLNASA-N 380.401 -0.520 30 20 GBED CN1C[C@@H](C(=O)O)N(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1=O 1598561708 CMSWOKUBVURGJX-ZDUSSCGKSA-N 394.409 -0.754 30 20 GBED C#CCOCCC(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1602728515 ZWCWFDWQWPFHIL-CYBMUJFWSA-N 387.400 -0.808 30 20 GBED C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@]3(C(=O)O)CCOC3)CC2)C1 1602906895 QZKKSHGJBFMOAO-KDOFPFPSSA-N 381.429 -0.822 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(=O)O)C2)C1 1608181036 DYXPJBNOTYNCCF-BFVZDQMLSA-N 377.319 -0.025 30 20 GBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)C(F)(F)F)C1 1782236126 BNPQKFMYCCPGIA-IAQYHMDHSA-N 375.347 -0.188 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC)NC(C)=O)[C@H]2C1 1783578234 QIXOFQQFBUBUFE-QSGXVVIFSA-N 393.484 -0.081 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1784035729 XCOXHXACGDVWBT-SPYBWZPUSA-N 379.457 -0.066 30 20 GBED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN)CCO2)C1 1785574784 RRHVVNFHXZEXER-IFXJQAMLSA-N 394.472 -0.308 30 20 GBED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2 1793349777 IBSKNJGCUNMWME-JLVBRIDZSA-N 396.488 -0.170 30 20 GBED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1793383665 YNDYKFIYKNTWSC-CUZKYEQNSA-N 386.518 -0.877 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795577818 MQBQLETYIULZSW-AYDFFVQHSA-N 379.461 -0.993 30 20 GBED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OCC 1797588842 YLRMMZDKILQMEG-XYFZXANASA-N 383.445 -0.147 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccc(OC)cc1)CCO2 1830219047 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N/C(=N/CCS(=O)(=O)N1CCN(c2ccccn2)CC1)N1CCOCC1 262007308 RYMUHEKTUOSACT-UHFFFAOYSA-N 382.490 -0.820 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(C(=O)C3(C#N)CCOCC3)CC2)cn1C 268997890 QDISQKODAWAVRZ-UHFFFAOYSA-N 381.458 -0.118 30 20 GBED COCCOCCOCCN(C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 290815071 VECXUZPNYJAHJE-UHFFFAOYSA-N 399.469 -0.025 30 20 GBED CN(CCN1CCOCC1)/C(O)=N/CCS(=O)(=O)N1CCSCC1 328656061 NJHCDJLSDKXTMB-UHFFFAOYSA-N 380.536 -0.457 30 20 GBED CCn1cc([C@@H]2CS(=O)(=O)CCN2/C(O)=N/C[C@H]2CN(C)CCO2)cn1 330014728 BBSRUQIMUXGEAE-GJZGRUSLSA-N 385.490 -0.081 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 330391332 HOJUPUBUWZDORO-KUHUBIRLSA-N 391.472 -0.277 30 20 GBED C[C@H]1CN(C(=O)C/N=C(/O)c2cccc(S(=O)(=O)N(C)C)c2)CC(=O)N1C 330402093 OKXSZJFEYRGLBP-LBPRGKRZSA-N 396.469 -0.069 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 349500314 PXBTXWXWKPQOIQ-ZIAGYGMSSA-N 379.504 -0.150 30 20 GBED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C[C@@H]1C 349513661 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30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3cc(C(N)=O)no3)CC2)c1 483085340 WFTWXYBMIXEPTR-UHFFFAOYSA-N 383.368 -0.995 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(C(N)=O)n3)CC2)c1 504516144 QZKCHNPNFCFPGU-UHFFFAOYSA-N 379.380 -0.266 30 20 GBED CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1=O 565841335 UHUIKTYYIGXCLQ-OAHLLOKOSA-N 383.408 -0.530 30 20 GBED CCOC(=O)c1c(NC(=O)C(=O)NC[C@@H]2CCC(=O)N2)c(C#N)cn1CC 595181889 CPJSAHAYHVWTKT-NSHDSACASA-N 375.385 -0.110 30 20 GBED CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N2CC[C@@](C)(C#N)C2)cn1 595185215 WPYGYJURGLNZCF-YOEHRIQHSA-N 393.469 -0.037 30 20 GBED Cc1nc(=NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)n(-c2ccc(C#N)cc2)[nH]1 598685619 PRBXQPNKLHUTDD-HNNXBMFYSA-N 388.453 -0.073 30 20 GBED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](O)CC(=O)OC)cc1 600057236 DETIWRQQQNRZGW-CYBMUJFWSA-N 378.385 -0.027 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2C[C@@H](O)C2)cc1 600763171 JEMAJRKAKLLDTC-BETUJISGSA-N 398.466 -0.226 30 20 GBED COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CCO[C@H](C#N)C2)cc1 611642914 BJMWQXDLQXREHL-BJJXKVORSA-N 395.437 -0.430 30 20 GBED C=CCN(CCOC)C(=O)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 674427226 ONNADMZAXPZKER-AJNGGQMLSA-N 375.425 -0.429 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCCCn2cnc3c(N)ncnc32)C1=O 726034610 CTGUCHSYYLZPAL-UHFFFAOYSA-N 387.356 -0.681 30 20 GBED CN(CCOC(=O)COc1ccccc1C#N)S(=O)(=O)N1CCOCC1 731289407 AOWFLJBYAQSDCR-UHFFFAOYSA-N 383.426 -0.011 30 20 GBED CC(=O)N1CCN(C(=O)[C@@H](C)ON=C(N)c2ccc(S(C)(=O)=O)cc2)CC1 749791652 QYXCBDITGHZQCR-GFCCVEGCSA-N 396.469 -0.194 30 20 GBED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC)n(CCCOCC)c2=O)cn1 772276145 HQNKUSUUHWNTAG-UHFFFAOYSA-N 387.465 -0.118 30 20 GBED CN1CCC(N2CC[C@H](NC(=O)C(=O)NCCNc3ncccc3C#N)C2)CC1 787756586 PQTXNPQKTMESHE-INIZCTEOSA-N 399.499 -0.234 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)cc1 811831291 DUHAEERIZJNPMG-CYBMUJFWSA-N 381.410 -0.026 30 20 GBED CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(-c3nn[nH]n3)o2)c1=O 821563802 GHYINDKWSBBANA-UHFFFAOYSA-N 397.420 -0.516 30 20 GBED C=CCOCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 823925080 CXWKJOGUYXFEBG-NSHDSACASA-N 380.430 -0.148 30 20 GBED Cn1cc(C#N)c(=O)n(CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1=O 826358048 BIDLUGMVUFSHGY-UHFFFAOYSA-N 387.381 -0.927 30 20 GBED C#CCO[C@@H](C)C(=O)NCCC(=O)N1CCN(C(=O)[C@H](C)OCC#C)CC1 827537320 HQQWGFLCLIRDAV-HOTGVXAUSA-N 377.441 -0.760 30 20 GBED CO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 942533658 IWWMFDXSIALBQQ-RAEVTNRLSA-N 375.429 -0.439 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CCO2)C1 965408116 FKTVGHGHIHFQIH-WCXIOVBPSA-N 393.484 -0.264 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CN(C(=O)[C@H]3OCCO[C@H]3C)C2)C1 965498455 QKKUPHVLSLQXEG-FZKCQIBNSA-N 380.441 -0.179 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2ccc(O)nc2)C1 968975488 UHWRLXQYFHGSTN-KRXQYRFLSA-N 375.425 -0.001 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 969235689 CVIQGEINEHXBOE-VDERGJSUSA-N 390.440 -0.593 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)COC)[C@@H]2CS(=O)(=O)C[C@@H]21 995422138 DDMGGLDNMHAABD-KBXIAJHMSA-N 386.470 -0.550 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(C)c(=O)nc1O 1000562952 HISBPGUKGCXSEA-MFHWUAJNSA-N 388.424 -0.061 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCCS1(=O)=O 1003471213 QJDBHDRBYZYFCF-SUJAAXHWSA-N 397.497 -0.139 30 20 GBED C#CCNC(=O)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1081021964 ZXPNZKUDTPKGPY-KFWWJZLASA-N 377.441 -0.837 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC1CCN(Cc2ccncc2)CC1 1117014464 CGGSYUYDOSTAPU-UHFFFAOYSA-N 394.497 -0.121 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C=C)[C@H](OC)C1 1213467774 JFSLMNQDOUVSCO-APIJFGDWSA-N 380.445 -0.595 30 20 GBED CN1CCN(CC2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)CC1 1261742695 CXTSHJFXUFKHRM-UHFFFAOYSA-N 391.497 -0.458 30 20 GBED C=CCn1c(C)nnc1S(=O)(=O)CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 1318769953 DUVOPOSRRFXVMX-LBPRGKRZSA-N 390.487 -0.418 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 1322823759 OFNLSLROPUFBDY-NSHDSACASA-N 389.378 -0.382 30 20 GBED C[C@@H](NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(C)(C)CN(C)C 1322961806 JKIGIKBCDZNUJS-XROPSADXSA-N 379.461 -0.279 30 20 GBED N#CCOc1cccc(NC(=O)C(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)c1 1324324875 NOFHXMBXHIMNKM-CYBMUJFWSA-N 381.410 -0.465 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N(C)Cc2cccc(C#N)c2)CC1 1324766768 RMPDQIOBBHXQSS-UHFFFAOYSA-N 399.451 -0.288 30 20 GBED CN(C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCNC1=O 1329444456 PNPQZJUOKFQOBR-HUUCEWRRSA-N 383.408 -0.483 30 20 GBED C[C@@H]1CN(CCCNC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCCO1 1330001640 GBENVRNPZOKWQC-WBVHZDCISA-N 377.489 -0.198 30 20 GBED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CC1(C(N)=O)CCOCC1 1516608759 JAZBBSQMGUFVTJ-CYBMUJFWSA-N 378.433 -0.175 30 20 GBED C=C[C@](C)(O)CC(=O)NCC[C@@H]1CN(CCc2cnn[nH]2)CCS1(=O)=O 1575071777 BXNPTVFXWNLNTH-ZBFHGGJFSA-N 385.490 -0.720 30 20 GBED N#Cc1nccnc1N1C[C@@H]2C(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C1 1581885249 TUCYEQWJYXSOGO-VXGBXAGGSA-N 376.384 -0.031 30 20 GBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588353467 UGOVXWHIOKEHIS-GXTWGEPZSA-N 384.444 -0.131 30 20 GBED C[C@@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@H]1CCCN(CC(=O)NCC#N)C1 1589941434 STVGSNWRAQUIFD-NEPJUHHUSA-N 385.432 -0.335 30 20 GBED CN(C[C@@H](O)CN(C)c1cncc(-c2nn[nH]n2)n1)C(=O)CSCC#N 1591046072 AVYWIUUXIOOZJS-JTQLQIEISA-N 377.434 -0.831 30 20 GBED CN(CCOCCN=c1cc[nH]c(-c2nn[nH]n2)n1)C(=O)c1ccc(C#N)[nH]1 1591111792 CIOIQOSPAMQASS-UHFFFAOYSA-N 382.388 -0.521 30 20 GBED O=C(CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1)N[C@@H]1CCCN(O)C1=O 1592899758 JIVLYLOLRHHMIP-GFCCVEGCSA-N 394.413 -0.722 30 20 GBED C=CC[C@H](CO)NC(=O)C(=O)Nc1nn(-c2ccc(-c3nn[nH]n3)cn2)cc1C 1602816876 VRERSJZBAMIIJP-GFCCVEGCSA-N 397.399 -0.252 30 20 GBED C=CCNC(=O)CN1CCCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1602862696 GPMGWCKFXBDMQJ-LBPRGKRZSA-N 388.432 -0.682 30 20 GBED C=CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1602862829 LJHAJQUSYBCNEB-LBPRGKRZSA-N 379.446 -0.400 30 20 GBED CC#CCN(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[nH]n3)cc2)n1 1602893711 FNXRIHYPCUQNGI-UHFFFAOYSA-N 379.384 -0.073 30 20 GBED CCN(CCC#N)S(=O)(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1604290252 SNTRGRAJNDGCLM-UHFFFAOYSA-N 391.461 -0.136 30 20 GBED C[C@H](CC(=O)N1CCN(C)C[C@H]1CO)/N=C1/NS(=O)(=O)c2ccccc21 1641533663 MDQHZRHZGYFYDD-OLZOCXBDSA-N 380.470 -0.361 30 20 GBED COC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779137874 KTLUJPKBEBBSAB-KDCXGNEQSA-N 392.412 -0.116 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1781400618 OBNPXLAVSPCPFS-KSSFIOAISA-N 394.476 -0.543 30 20 GBED CN(C)c1ccncc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783556911 FWAXGVVZSOTOTF-LJQANCHMSA-N 386.408 -0.321 30 20 GBED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1793999851 UPYYJJUNIMVJBD-JJLQDPRZSA-N 390.400 -0.069 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C[C@@H]2NC(=O)NC2=O)c1 1794208621 LLQFXOBNRIRPJY-OPDFLTKYSA-N 384.396 -0.264 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cncn1 1801355121 QNLLPYONIOZUNK-DGADGQDISA-N 375.429 -0.533 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1830061495 HUPWKVKDPDTNHD-SCLBCKFNSA-N 378.429 -0.871 30 20 GBED CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342838 SHOLEJNEVWULQP-RTLBZRNLSA-N 391.424 -0.134 30 20 GBED Cn1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cn1 1835984564 HHVUUPCONJRHQG-GOSISDBHSA-N 375.429 -0.277 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1837648857 WQDXKUPPVOMOOI-KEYYUXOJSA-N 397.501 -0.311 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1839806408 AAUYQGPKKHOBBQ-FQEVSTJZSA-N 395.419 -0.030 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1840158472 MVBNTXMEPCIVJT-CXAGYDPISA-N 380.470 -0.206 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2 1841600681 MOFIUFXPRFONPS-BBRMVZONSA-N 394.424 -0.277 30 20 GBED NC(=O)[C@H](N)CCC(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2 1842946220 UWFFBROGNBVBDK-SCDDIDHTSA-N 375.429 -0.505 30 20 GBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cccc(N3CCOCC3)n2)C1 1843529016 UFIMUOPYFYKZEQ-UHFFFAOYSA-N 398.419 -0.177 30 20 GBED N#Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@H](O)N3CCOCC3)C2)cc1 1844293611 UODQIIRJVJFHQE-IBGZPJMESA-N 398.463 -0.045 30 20 GBED C/N=C(/NCCN1CCCC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 179069934 UJQVNRQIDPDLFI-UHFFFAOYSA-N 384.506 -0.207 30 20 GBED C=CCS(=O)(=O)CCNS(=O)(=O)c1cccc(S(=O)(=O)NC)c1 272897877 ZINNAKVRUOZEDA-UHFFFAOYSA-N 382.485 -0.526 30 20 GBED C=CCN1CC[C@@H](N(C)CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1=O 281370530 ONERVEWWDQDXAE-CYBMUJFWSA-N 391.472 -0.313 30 20 GBED CC(=O)N1CCN(C(=O)CC/N=C(/O)NCCN2CCOCC2(C)C)CC1 329320905 RJEAFBSEVPBXHB-UHFFFAOYSA-N 383.493 -0.318 30 20 GBED CCN1C[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)C[C@H]1C 349472698 HDQKEHPCVZPSFN-BFHYXJOUSA-N 380.536 -0.048 30 20 GBED CNC(=O)Cn1cc(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cn1 364821803 LOXJYILCVSLRAM-UHFFFAOYSA-N 382.380 -0.271 30 20 GBED C[C@@H](CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)S(N)(=O)=O 409622746 PUSCIRHCMWSFCR-SMDDNHRTSA-N 379.442 -0.365 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCO[C@@H](CN)C3)n2)c(Cl)c1 415601036 PEOOEMAZXIZVBI-LBPRGKRZSA-N 388.815 0.522 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@H](C)[C@H](CN)C3)CC2)c1C#N 423452754 WVYVZAFTOMXTJZ-DZGCQCFKSA-N 387.488 -0.308 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3[C@H]4CCNC[C@H]3CC4)CC2)c1C#N 423686317 YXOBZHPGVWSBSA-HUUCEWRRSA-N 385.472 -0.398 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2C[C@H](C(=O)NC)Oc3ccccc32)nn1 425797542 WAIXGCOOKZCCQN-OAHLLOKOSA-N 384.396 -0.380 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)c3coc(S(N)(=O)=O)c3)CC2)c1C#N 471709834 UPERYPUPNVALDN-UHFFFAOYSA-N 378.414 -0.197 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](C(=O)OC)C2CCOCC2)C1=O 518616110 JDYAJMUPRYJFJT-GFCCVEGCSA-N 381.385 -0.705 30 20 GBED COC[C@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 519181539 GFPZMJZECOVQOA-LLVKDONJSA-N 389.455 -0.693 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCC(=O)NCC#N)cc1 561469680 NSOJUWSRHVQNGM-UHFFFAOYSA-N 381.414 -0.979 30 20 GBED CN1C(=O)NC2(CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)C1=O 573522163 YZPDUYCIEZNIBQ-UHFFFAOYSA-N 377.426 -0.257 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCN2CCC[C@@H]2C(N)=O)c1 579769975 QBOZBMUDSMMEHW-OAHLLOKOSA-N 393.469 -0.707 30 20 GBED COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC1(C(N)=O)CCOCC1 593528593 NRAUCEFPZFBRAH-UHFFFAOYSA-N 381.410 -0.095 30 20 GBED Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC[C@H](CC#N)C3)cnc2n(C)c1=O 595087277 QRWLQHQSGDBUBN-LLVKDONJSA-N 384.396 -0.277 30 20 GBED CCOC(=O)c1ncn(C2CCN(C(=O)NCC(=O)NCC#N)CC2)c1N 596599999 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C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CC)C(N)=O)cc1 848941716 FCGADYMCKFIPON-CQSZACIVSA-N 398.466 -0.624 30 20 GBED C#CCN1CCC[C@H](NC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1 888065777 MFGDJFAPGSHFRU-KRWDZBQOSA-N 399.499 -0.088 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCOCc2ccccc2)CC1 893389962 ASJGFBJFJSCPNY-UHFFFAOYSA-N 380.470 -0.002 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cncnc2O)C[C@@H]1O 964194039 VCPJDWXLGXGGAB-ATGSNQNLSA-N 376.413 -0.145 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(CCC)nn2)C1 1025407916 NURUEKILFQVXDG-XOUADPBQSA-N 377.445 -0.029 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(O)nc2O)C[C@H]1O 1025710215 CXSYGTDDQLXDGH-ZRJCITRHSA-N 392.412 -0.982 30 20 GBED CCc1nc(C#N)cc(N2C[C@@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@H](OC)C2)n1 1043016786 SUHWWSQETHRYTQ-DTZQCDIJSA-N 388.472 -0.050 30 20 GBED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2CCCS2(=O)=O)n1 1055465658 SOLSCIZIXUJPRY-UPJWGTAASA-N 376.442 -0.390 30 20 GBED C#CCNC(=O)CC(=O)NC[C@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CCO1 1065397042 QOAREIULRWUVGK-YRBFXIGRSA-N 377.441 -0.715 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)N2CCNC(=O)C2)nc1 1096379710 YRUGUYQQIXQWFT-PVAVHDDUSA-N 381.436 -0.644 30 20 GBED CN(CC(C)(C)C#N)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1261242077 IBTDROZEJYMZIL-UHFFFAOYSA-N 376.417 -0.311 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCCN(S(C)(=O)=O)CC2)n(CCC#N)n1 1319960918 PBSCRPROOFQEDZ-UHFFFAOYSA-N 382.446 -0.462 30 20 GBED Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCOC[C@H]3C#N)CC2)cn1C 1323768841 ALPDXEHLGYSSPL-CQSZACIVSA-N 381.458 -0.120 30 20 GBED COC[C@@H](CNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1325697138 NNKLXUFHXKIPQA-QWHCGFSZSA-N 376.417 -0.837 30 20 GBED C[C@@H](N)[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)CCO1 1325719249 WPGZXAXYESLCMN-CXAGYDPISA-N 389.431 -0.079 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)C1 1327746902 DEMWPGYTZSJNOT-LVCYWYKZSA-N 398.463 -0.025 30 20 GBED C=CCn1c(N2CCN(C(COC)COC)CC2)nnc1[C@]1(O)CCOC1 1339123736 JHXGZWYXSWNWGA-SFHVURJKSA-N 381.477 -0.145 30 20 GBED CO[C@H](CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(F)(F)F 1346328089 VEVIAWSHOFNNJC-HNLKAFMCSA-N 378.307 -0.678 30 20 GBED N#Cc1cn(CCC(=O)N2CCN(C(=O)N3CCCCC3)CC2)c(=O)nc1O 1540591708 IVFLNXHUSOPWNL-UHFFFAOYSA-N 388.428 -0.039 30 20 GBED C#Cc1ccccc1CC(=O)NC[C@@H](CO)Nc1cnc(-c2nn[nH]n2)cn1 1573289810 DGOSJQVLKDUAKN-AWEZNQCLSA-N 378.396 -0.230 30 20 GBED C=CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)CCOCc2cnn[nH]2)C1 1575109446 ZOQSBZTVTHJKSY-KSSFIOAISA-N 376.461 -0.016 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[nH]n2)nc1 1588352725 ULOOMBXBYXEBGQ-HOCLYGCPSA-N 384.444 -0.410 30 20 GBED C#CCN(CC(=O)O)C(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 1588402311 QXKCZIXMCNNYEV-UHFFFAOYSA-N 381.410 -0.188 30 20 GBED C=CCNC(=O)CN1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588659208 JFSKPHBNLZHBSA-QGZVFWFLSA-N 388.432 -0.946 30 20 GBED C=CCn1cc(C(=O)NC[C@@H](O)CNCc2ccc(-c3nn[nH]n3)cc2)nn1 1588712641 ATBXIKUVKWGHHZ-AWEZNQCLSA-N 383.416 -0.475 30 20 GBED N#Cc1cn(CC(=O)O)c(=O)n(CC(=O)NCc2cccc(Cl)c2)c1=O 1594632782 BQDMQGZVQQUUQW-UHFFFAOYSA-N 376.756 -0.064 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(NC[C@H](O)CN(C)c2nc(C)cc(C#N)n2)n1 1605576406 YXAZTCLXPLJGSJ-LBPRGKRZSA-N 381.404 -0.156 30 20 GBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cnn(-c2ncccc2-c2nn[nH]n2)c1 1609019909 LBTHUOQDXWHTMJ-GFCCVEGCSA-N 395.383 -0.724 30 20 GBED C[C@@H](C(=O)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1)n1cnc(C#N)n1 1609068494 KAOXICGFXQAWMO-NSHDSACASA-N 379.388 -0.365 30 20 GBED CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1768297788 RIBKEYFCVWKZLB-IAQYHMDHSA-N 399.452 -0.390 30 20 GBED NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779105636 GPMWCBCPCXIQJL-HUWVGRHQSA-N 396.444 -0.389 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC=O)C1 1780720772 OYULLOHDKCEECJ-YIOZNXECSA-N 379.457 -0.327 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)NC=O)C1 1780720774 OYULLOHDKCEECJ-YKTARERQSA-N 379.457 -0.327 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1792489665 FUORSGVXKUDAQJ-KQORHLAWSA-N 397.435 -0.052 30 20 GBED O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1CC1 1793466528 QVOCPPXPUUUSJB-BJWYYQGGSA-N 393.509 -0.232 30 20 GBED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CCS(=O)(=O)CC2)C3)CC1 1795845570 VPNSXMDTVVCIEU-QDMKHBRRSA-N 394.497 -0.341 30 20 GBED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOC1=O 1797165227 PREXLYSDGGKADM-AGGWBTHJSA-N 378.429 -0.032 30 20 GBED CCc1[nH]nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c1Cl 1800776110 SHFJMISWAQJBDR-KEODLESXSA-N 394.815 -0.083 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)CC2 1825664606 MFKCUSWUWUXVRK-SCZZXKLOSA-N 376.394 -0.578 30 20 GBED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1832286245 VTPCHXIHUVLCRU-IBGZPJMESA-N 394.472 -0.139 30 20 GBED C[C@@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)C(F)(F)F 1834755698 JBVTZEOOGFHKJG-KGLIPLIRSA-N 379.335 -0.330 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835114939 URSUJONYVMFNBG-VCBZYWHSSA-N 395.456 -0.688 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCOC)CCO2)C1 1835239444 FEJDKSUPBKGDNF-VQIMIIECSA-N 398.456 -0.856 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnccn4)C3)C2)CC1 1835338905 YIIDAXOETYTJPP-IBGZPJMESA-N 385.424 -0.221 30 20 GBED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835352294 RWISTSGEULXSNM-KSSFIOAISA-N 380.445 -0.339 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CSC(=N)N)CCO3)C2)CC1 1835509513 MWRMCEOBONNBCA-INIZCTEOSA-N 381.458 -0.627 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1839807471 BTZFUTAHIKAWNT-QGZVFWFLSA-N 376.438 -0.342 30 20 GBED Cc1noc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)n1 1840159739 MFYDAFJWOTYQQP-ZBEGNZNMSA-N 384.458 -0.305 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 272850295 KZRQVQLKZCWONC-AWEZNQCLSA-N 382.417 -0.037 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)OC)c1 275683883 XCRNXOKUKASMSK-GJZGRUSLSA-N 380.422 -0.263 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@](C)(O)Cn2ccc(C)cc2=O)CC1 280390236 FLVYFSSMZZNWEL-FQEVSTJZSA-N 388.468 -0.809 30 20 GBED N#Cc1cc(NC(=O)C(=O)NCCS(N)(=O)=O)ccc1OC(F)(F)F 281767474 AWFCZYKYTMNOJS-UHFFFAOYSA-N 380.304 -0.200 30 20 GBED C[C@H]1C(=O)NCCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 288703981 UTZARJBAXZIDQQ-WFASDCNBSA-N 383.408 -0.878 30 20 GBED CC(=O)N1CCN(C(=O)CC/N=C(/O)N2C[C@H](C)S(=O)(=O)[C@H](C)C2)CC1 329641450 CPCJBTLBDGENDP-BETUJISGSA-N 388.490 -0.511 30 20 GBED CN1CCCN(S(=O)(=O)CCCS(=O)(=O)N[C@]2(C#N)CC2(C)C)CC1 349534597 HHTQBDCXTLWJCH-HNNXBMFYSA-N 392.547 -0.045 30 20 GBED N#C[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CCO1 376994842 NMCIFUVPGDFUAT-NFAWXSAZSA-N 383.401 -0.299 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCc2ccccc2CN2CC[C@H](O)C2)CCO1 409491417 OZKOSZKGGYKHDZ-IRXDYDNUSA-N 380.470 -0.188 30 20 GBED CC[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1cccc(S(N)(=O)=O)c1 410144038 UYMIYPMTHDKIIA-OCCSQVGLSA-N 388.471 -0.156 30 20 GBED CN(CC(=O)NC[C@@H]1CN2CCN1CC2)S(=O)(=O)c1ccc(C#N)cc1 437327192 VMJNBMOSQUHQCF-OAHLLOKOSA-N 377.470 -0.705 30 20 GBED C=CC[C@H](CO)CNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 539267917 KJPRXGFRBBCACF-LBPRGKRZSA-N 381.454 -0.215 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@@H]3COCCO3)C2=O)cc1 560240882 KVBYYTNLOZEXJU-HZPDHXFCSA-N 386.408 -0.299 30 20 GBED CN(CCCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)S(C)(=O)=O 589305377 BBWGJWDCGHKKLX-UHFFFAOYSA-N 388.471 -0.766 30 20 GBED CC#CC[C@H](CO)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 592920936 GRZFBKGWYGJQMW-LLVKDONJSA-N 384.414 -0.065 30 20 GBED C[C@@H](CO)C1CCN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1 593733018 UNLFIPNKKIDFHX-LBPRGKRZSA-N 376.461 0.122 30 20 GBED CC1(C#N)CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncc(C#N)s2)C1 594637376 KYIUBGQUPOJTAW-UHFFFAOYSA-N 389.484 0.322 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@H]3COCCN3)C2=O)cc1 599943138 ITFZFIJQLKIZOI-GOEBONIOSA-N 385.424 -0.726 30 20 GBED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CC(N)=O 608912313 SQVZAKLHSGMOHP-UHFFFAOYSA-N 390.490 -0.268 30 20 GBED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)C(=O)O 736428845 WDCHURJSOLHVER-NWDGAFQWSA-N 383.426 -0.299 30 20 GBED CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(CCOC)c2)c1=O 743727317 JRDLXBYBHOPVBC-UHFFFAOYSA-N 389.481 -0.200 30 20 GBED C[C@@H](CC(=O)OCCNS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 744095676 DWJJUSIEXUCQGN-JTQLQIEISA-N 389.455 -0.404 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2csc(C)n2)c1=O 758088953 HXEHTMVKJMBESZ-UHFFFAOYSA-N 388.474 -0.426 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)N2CCN(C)CC2)c1 761970234 MTADZPULIQJEFU-UHFFFAOYSA-N 392.481 -0.556 30 20 GBED NC(=O)C1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 771741785 WSZBKXRYXULJIK-UHFFFAOYSA-N 394.453 -0.344 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@@H](C)S(=O)(=O)[C@H](CC)C2)c1=O 808195416 RGSZYAKXSDCJEC-ZIAGYGMSSA-N 398.485 -0.601 30 20 GBED C#CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 810214105 OPSFDLGURZPKAK-UHFFFAOYSA-N 381.454 -0.241 30 20 GBED COC[C@@](C)(CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)c1c[nH]c(C#N)c1 826148789 RCDXXOSZLIJAJT-QGZVFWFLSA-N 397.399 -0.041 30 20 GBED C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 848506273 AKMBVQYRPAHIAE-GMTAPVOTSA-N 384.380 -0.013 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 853976013 BROCZYWRZCQGRK-UHFFFAOYSA-N 391.475 -0.974 30 20 GBED CN1CCN(C(=O)CCNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1 875067692 ALAKDWDZIVAYMV-UHFFFAOYSA-N 385.472 -0.051 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](C(=O)OCC)C3(COC3)C2)CC1 875182514 QCPHTBHCQQABTE-HNNXBMFYSA-N 379.457 -0.209 30 20 GBED C[C@@H](OC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)C(=O)N(C)CCC#N 920605392 OUYMSWVHIYOVNY-SNVBAGLBSA-N 375.385 -0.507 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COC2CCOCC2)C[C@@H]1O 964613500 JQRGLIQJLKHBPJ-NCOADZHNSA-N 382.457 -0.149 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@H](c2cnn(C)c2)C1 982440721 DXPUEZSRQMMJQL-BARDWOONSA-N 385.428 -0.146 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cncnc2O)C[C@H]1O 1023919623 VCPJDWXLGXGGAB-MYPMTAMASA-N 376.413 -0.145 30 20 GBED Cc1ccc(C#N)c(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2cn(CC(N)=O)nn2)n1 1055044764 RLRSFZDSIZACNT-IPYPFGDCSA-N 380.412 -0.122 30 20 GBED C#CCNC(=O)CC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 1061514568 CBXJVWZKOKGHLG-YRBFXIGRSA-N 377.441 -0.715 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 1118987363 UAZJPBMLZWJLFB-UHFFFAOYSA-N 382.486 -0.798 30 20 GBED COC(=O)C1(C#N)CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 1272409505 ZKHYNNULPWCNSA-UHFFFAOYSA-N 378.410 -0.211 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1)[C@@H]1CCCO1 1323819824 NRSGOXJALQRDPW-CVEARBPZSA-N 397.497 -0.300 30 20 GBED C=CCn1cc(CNC(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)nn1 1329181154 YUCLEQLSFIJJON-LBPRGKRZSA-N 384.462 -0.701 30 20 GBED CN(C)C(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1516962051 NSFUNXXSAYFHOV-ZDUSSCGKSA-N 375.433 -0.279 30 20 GBED C#CCN(C(=O)Cn1cccn1)C1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 1573283474 SIIQOLOYPZKLFW-UHFFFAOYSA-N 392.427 -0.016 30 20 GBED C#CCNC(=O)[C@@H](C)N1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C(C)(C)C1 1573285450 IFRCXRONNJSNCS-RISCZKNCSA-N 384.444 -0.227 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)CCN=c1cc[nH]c(-c2nn[nH]n2)n1 1573299986 MRWMPXSLKJHWFM-AAEUAGOBSA-N 387.448 -0.144 30 20 GBED C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N)[C@@H]1CCS(=O)(=O)C1 1574673891 QWFLDVQCTDAXDD-OLZOCXBDSA-N 394.501 -0.407 30 20 GBED C#CCN1CCC(C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CC1 1588351816 LUJNQKLIWONIJJ-UHFFFAOYSA-N 381.444 -0.350 30 20 GBED C=CCn1cc(C(=O)N(C)[C@@H]2CCN(c3nccnc3-c3nn[nH]n3)C2)nn1 1588711555 RSXBPKWJRJDFEU-LLVKDONJSA-N 381.404 -0.215 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(=O)O)cc2F)CC1 1602724573 CGFVTHPRTWCIJE-UHFFFAOYSA-N 397.428 -0.030 30 20 GBED N#CCOc1ccc(CNC(=O)C(=O)N2CCC([C@H](O)C(=O)O)CC2)cc1 1610622576 AVDOTJLCCJHVOE-HNNXBMFYSA-N 375.381 -0.111 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCSC[C@@H]1c1nn[nH]n1 1616948180 XMAZZWDEQWNCSW-SNVBAGLBSA-N 393.454 -0.445 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1778968621 UAHJBVKFEWBVDM-LXIYXOSZSA-N 381.429 -0.502 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1778973430 KLTOHVGCESLOGP-KXBFYZLASA-N 381.473 -0.084 30 20 GBED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1)N1CCN(C)CC1 1781093301 BXNJTSXIXANZAZ-LPHOPBHVSA-N 377.489 -0.244 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1781269619 CDBBCJNFZBVCRT-DOXZYTNZSA-N 395.456 -0.952 30 20 GBED N#CCc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CNC(=N)N)CCO3)C2)cc1 1781785833 RHVGGZUYOSLOAD-IBGZPJMESA-N 384.440 -0.321 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2 1783565604 WGUADKYUPGBDDU-LPGQDOADSA-N 376.413 -0.624 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1783567745 XPGHUXCBRFXNOD-ORAYPTAESA-N 386.408 -0.568 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCNC4=O)[C@H]2C1 1788255190 DVGUQMFQIGKRDG-XEZPLFJOSA-N 385.424 -0.757 30 20 GBED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1793380019 JEOSSSZXMMNUPN-XBNNWQEZSA-N 398.485 -0.872 30 20 GBED CN(C)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1795433802 ACFUIBGXWGTVBJ-SCAQPMJSSA-N 379.505 -0.190 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2 1797714463 TXEIJYHRPPRKRM-HLPPOEQASA-N 377.445 -0.559 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Cn1cncn1 1797894217 GEFUBKDVGCWICQ-OVYGPGRDSA-N 389.456 -0.458 30 20 GBED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 1798632752 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CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833224546 AGQVIVQDBYMAOV-PBHICJAKSA-N 397.501 -0.161 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCOC)CCO2 1835224347 AUUZLUUJTHLVHG-HMECNJMJSA-N 395.456 -0.662 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1837397365 PJYJKKGOPGUWII-UGSOOPFHSA-N 393.444 -0.552 30 20 GBED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)C(F)(F)F 1839894635 JLIUJOFRPQRPDN-HNNXBMFYSA-N 390.314 -0.351 30 20 GBED O=C(CN1CCS(=O)(=O)CC1)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841539996 GIYRFFIQWOALTJ-UHFFFAOYSA-N 379.482 -0.666 30 20 GBED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1841746952 OZZHBWZQYPPUCC-UONOGXRCSA-N 395.504 -0.055 30 20 GBED CNC(=O)CCN(C)C(=O)C(=O)N1CCN(c2snc(C)c2C#N)CC1 297821691 STVTWKJZGFDYPZ-UHFFFAOYSA-N 378.458 -0.434 30 20 GBED CN(CCCNC(=O)CN1CCN(c2ccc(C#N)cn2)CC1)S(C)(=O)=O 299080489 RKIHCYCCCJQGNJ-UHFFFAOYSA-N 394.501 -0.527 30 20 GBED CC(C)NS(=O)(=O)[C@@H]1CCN(/C(O)=N/C[C@@H]2CCN(S(C)(=O)=O)C2)C1 328825835 SNLILPAZKASWRO-QWHCGFSZSA-N 396.535 -0.416 30 20 GBED CN1C(=O)[C@]2(CCN(/C(O)=N/[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)N=C1O 329713853 SCEXAGJTODWJAV-BDJLRTHQSA-N 399.473 -0.313 30 20 GBED CN1CCN(C(=O)c2cc(N=C(O)N3CCN4C(O)=NC[C@H]4C3)ccn2)CC1 329816194 FJVSPCUGGBEKEP-AWEZNQCLSA-N 387.444 -0.072 30 20 GBED CN(CC(C)(C)O)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 349502528 OHYLHLCYDXXHBA-LBPRGKRZSA-N 399.560 -0.320 30 20 GBED CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1CO 349514058 CXDIDBJTWYSAEU-TZMCWYRMSA-N 379.504 -0.225 30 20 GBED CC1(C)[C@H](NS(=O)(=O)CCCS(=O)(=O)NCC#N)[C@H]2CCCO[C@H]21 349558417 RVSFWCKTHUPETH-JHJVBQTASA-N 379.504 -0.058 30 20 GBED CC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)N2CCSC[C@H]2C#N)C1 349610168 JIFXQSODUJJDKQ-GFCCVEGCSA-N 397.544 -0.566 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 410133582 ITKMWMIHLTXWQS-QWHCGFSZSA-N 382.508 -0.599 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@H]3CNCCO3)C2)c(F)c1 418856372 OYLULSHBALFYDR-HUUCEWRRSA-N 389.431 -0.113 30 20 GBED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CCC#N)CCN1CCOCC1 446122008 KBLDGYPGZKLDIP-CQSZACIVSA-N 398.489 -0.839 30 20 GBED Cc1nn(C)c(N2CCN(CCNS(=O)(=O)c3cnn(C)c3)CC2)c1C#N 472165464 XBUIGOWHAIYUNQ-UHFFFAOYSA-N 392.489 -0.566 30 20 GBED Cn1ncc(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1C#N 476053579 XQIXTJZYZRYPAK-UHFFFAOYSA-N 378.370 -0.092 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)C1=O 499017921 WGNMLONPPYAYHI-SFHVURJKSA-N 399.363 -0.344 30 20 GBED CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCC(=O)NCC#N)c1 509017160 PZQUCDQXGLCBCZ-UHFFFAOYSA-N 388.428 -0.339 30 20 GBED N#CCNC(=O)CNC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 511910980 QSEYQYQGFBAWLN-LBPRGKRZSA-N 385.380 -0.667 30 20 GBED C[C@]1(O)C[C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)N(CC#N)CC#N)c2)C1 520429474 PTVKYRDGPWCRGH-JNSHFYNHSA-N 398.466 -0.084 30 20 GBED COC(=O)[C@@H](CN1CCOCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 580512636 PLCCDPMQLFVCFD-GFCCVEGCSA-N 398.397 -0.381 30 20 GBED COCC1(O)CN(S(=O)(=O)c2ccc(S(=O)(=O)N[C@@H](C)C#N)cc2)C1 581082355 QWCKKAXLQIVWNL-NSHDSACASA-N 389.455 -0.741 30 20 GBED COC[C@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@H]1CCCO1 589143724 CGGYOKZJJMPSES-UONOGXRCSA-N 378.433 -0.435 30 20 GBED COCc1noc(Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)n1 600607801 MYJWELKQLYZFMK-UHFFFAOYSA-N 377.357 -0.199 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 658916358 NJSKLOYXOLDXFL-OAHLLOKOSA-N 376.457 -0.086 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1 658916591 XYJKNRSQCHXVGF-VXGBXAGGSA-N 385.442 -0.399 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](CN3CCOCC3)C2)c1=O 742162513 URFXLCXWJNAVGH-INIZCTEOSA-N 391.472 -0.845 30 20 GBED COC(=O)c1c(S(=O)(=O)N(CCC#N)CCN2CCOCC2)n[nH]c1C 751067807 VXXFBCZMVBGWKY-UHFFFAOYSA-N 385.446 -0.259 30 20 GBED C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn(C)c2)c1=O 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RMXAVBWMGJBTEI-LVQVYYBASA-N 377.445 -0.151 30 20 GBED C#CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1049189307 XVRMCGGWGVGLFJ-IQWQSGHPSA-N 380.441 -0.892 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@@H](C)NS(C)(=O)=O)n1 1092917525 FCECWXDZPJLPJF-ZZVYKPCYSA-N 378.458 -0.180 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCNC(=O)C1 1096146259 UGTYYIOSXALHGO-CUGJGTHOSA-N 390.484 -0.353 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@]1(C)CNC(=O)C1 1110841052 OHAMNQCZUUBLQA-BKEDOTJMSA-N 375.473 -0.004 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCN(CC(F)(F)F)C1=O 1116043314 JYNQXEIEHAOSDB-ASGQQMQCSA-N 389.334 -0.025 30 20 GBED N#C[C@@H](C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)N1CCCC1 1122706584 AVLFFKIRUQUJFD-NEPJUHHUSA-N 380.426 -0.517 30 20 GBED C#CCCN[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@@H]1n1ccnn1 1129910471 UWFLZVUTNNKHCL-RQJABVFESA-N 387.362 -0.011 30 20 GBED C#CCNC(=O)CNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2CC)n1 1130237918 JYGSQSHTRLKATD-BARDWOONSA-N 388.472 -0.322 30 20 GBED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCOCC1 1288170279 OULRBCGOJJJELS-OAHLLOKOSA-N 391.476 -0.133 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 1321729491 INFAGCQYOCDMLC-AWEZNQCLSA-N 399.451 -0.069 30 20 GBED C=CCN(C(=O)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)C1CC1 1323082112 BXZKAMRUUWFBFD-UHFFFAOYSA-N 395.485 -0.134 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CCS(=O)(=O)C3)CC2)nc1 1323251781 NPRHTDGTLWTGND-CQSZACIVSA-N 391.453 -0.847 30 20 GBED CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 1323964467 MIJQTQLELOMIQK-QGZVFWFLSA-N 383.452 -0.058 30 20 GBED CCOc1ccnc(N2CCCN(C(=O)C(=O)N3CCO[C@H](C#N)C3)CC2)n1 1325888989 XHUBIDZOENEGED-CQSZACIVSA-N 388.428 -0.335 30 20 GBED C[C@]1(C#N)CCCN(C(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C1 1328304080 ZQOPQPBKWHWEBL-LJQANCHMSA-N 384.440 -0.019 30 20 GBED COCCOc1cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)ccn1 1343355555 SNHQBUOWLHOFFB-CYBMUJFWSA-N 381.410 -0.314 30 20 GBED C[C@H]1CN(C2CCOCC2)CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1568413336 LQVBAHGOCAEPIN-ZDUSSCGKSA-N 375.429 -0.078 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC/C=C\CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1573285823 OFQMISWMFLZZKP-JZIMQPMSSA-N 382.428 -0.305 30 20 GBED C#CCN(C(=O)CCOCc1cnn[nH]1)C1CCN([C@@H](C)C(=O)NC)CC1 1574894796 HKVQDPQKAJABHR-AWEZNQCLSA-N 376.461 -0.228 30 20 GBED C=CCNC(=O)Cn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@H]1C[C@@H](N)C1 1574936916 PQVBTXXTWXIHHD-QWQRMKEZSA-N 376.461 -0.219 30 20 GBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575005054 SVWAAFJGBVJHJW-MPTYRVRUSA-N 387.488 -0.609 30 20 GBED C#Cc1cncc(C(=O)NCC[C@@H]2CCN(CC(=O)NCc3cnn[nH]3)C2)c1 1575033217 XLKUYESPGYDORX-OAHLLOKOSA-N 381.440 -0.061 30 20 GBED N#Cc1cnc(N2CCOC[C@H]2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cn1 1581878148 XNJBBUNLAZPMAG-GFCCVEGCSA-N 380.372 -0.508 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2cc(-c3nn[nH]n3)sc2[N+](=O)[O-])CC1 1588353852 JQVUTPCFXOYSOZ-UHFFFAOYSA-N 398.430 -0.574 30 20 GBED C#CCOCCC(=O)NC[C@H](CO)Nc1ncc(-c2nn[nH]n2)cc1Cl 1588361758 SAXZDVNAPXSBOT-LLVKDONJSA-N 379.808 -0.156 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[nH]n2)C[C@@H]1O 1588504181 JQNSWYHFBKOVGQ-HFBDOXOYSA-N 379.446 -0.376 30 20 GBED C=CCC1(C(=O)NC[C@@H](CO)Nc2cncc(-c3nn[nH]n3)n2)CCOCC1 1588552974 HMQRCEHPKRWEDZ-LBPRGKRZSA-N 388.432 -0.081 30 20 GBED O=C(C#CC1CC1)N1CCC[C@H](N(CCO)c2cncc(-c3nn[nH]n3)n2)C1 1592766528 NBCICMFPSALLIM-AWEZNQCLSA-N 382.428 -0.140 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC([C@H](O)C(=O)O)CC3)CC2)o1 1600682665 VOVOVCBFBVQNRE-INIZCTEOSA-N 391.428 -0.339 30 20 GBED N#CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)CC1 1606345024 DOAQNFAVECCGCL-UHFFFAOYSA-N 379.377 -0.248 30 20 GBED N#CC1(NC(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CCOCC1 1609494839 NBTTWYDCNLTYNN-UHFFFAOYSA-N 391.413 -0.666 30 20 GBED CC(C)CN1CCO[C@@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1628774158 QFGGFJCJTWVHFF-AWEZNQCLSA-N 378.433 -0.523 30 20 GBED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC2CC2)C1 1771363047 QYBOZFLCFPLIFV-KGLIPLIRSA-N 396.473 -0.250 30 20 GBED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780059068 DLIDXELIHDLVCF-SFHVURJKSA-N 382.380 -0.553 30 20 GBED CC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1783139582 BPOCDQIJBSJUET-BAOGCXAUSA-N 379.461 -0.576 30 20 GBED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]32)C1 1783461429 VGOCZKZJQJZSDT-TUUVXOQKSA-N 378.473 -0.475 30 20 GBED C#CCCCCC(=O)N1CC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1784197591 MGDWFAGPDOBEGF-BEFAXECRSA-N 378.473 -0.397 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncnn3C)[C@H]2C1 1785849653 KLPXUPLNWIVMPG-ZQDZILKHSA-N 391.472 -0.019 30 20 GBED Cn1ccc(=O)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1789226231 LHWADPRACJDQBC-NOLJZWGESA-N 387.392 -0.933 30 20 GBED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1791267360 UNSJOVFNEDFRFB-XQLPTFJDSA-N 390.440 -0.632 30 20 GBED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN 1795529217 PPHBLLQSUUOMHN-FQLMCAECSA-N 394.472 -0.549 30 20 GBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2 1800999741 SQMGPFJCFKSKIF-IVWMJMPLSA-N 383.408 -0.131 30 20 GBED C#CC(=O)N1CC[C@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1806085578 WMPJHAVCMBJQNT-RDTXWAMCSA-N 392.419 -0.026 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)CCn2ccnn2)[C@@H]1c1cccnc1 1812882610 ONCJHPQXYYPEIQ-DNVCBOLYSA-N 396.407 -0.143 30 20 GBED N#CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1814487896 KBIHGLXYGZGKPY-WCBMZHEXSA-N 390.425 -0.043 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1831397137 URFXBOZQOCMYFO-ACJLOTCBSA-N 393.396 -0.512 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN(C)C)CCO2)C1 1835385870 XNFFEWSZDPLMNJ-OXJNMPFZSA-N 397.516 -0.032 30 20 GBED Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)n1 1836069480 RTASTGHHZKMHOY-QGZVFWFLSA-N 377.401 -0.319 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)ccn1C)CCO2 1838537788 ZLEMFKXPPVCCMU-HXUWFJFHSA-N 387.436 -0.131 30 20 GBED COc1ccc(CC(=O)N2CCCC23CN(C(=O)CNC(N)=O)C3)c(C#N)c1 1845140207 RVKYGCDKLTYQND-UHFFFAOYSA-N 385.424 -0.019 30 20 GBED Cn1c(=O)c2c(ncn2CCN2CCN(c3ccc(C#N)cn3)CC2)n(C)c1=O 60481282 APTFQMPEFAYYRK-UHFFFAOYSA-N 394.439 -0.477 30 20 GBED CC/N=C(/NCCN1CCOCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 261785273 PTHATWJIIVNLHT-SFHVURJKSA-N 380.493 -0.406 30 20 GBED CN(C)C(=O)CN/C(=N/C[C@@H]1CCOC1)N1CCN(c2ncc(F)cn2)CC1 262264650 FMQIPFQDVIEKQX-AWEZNQCLSA-N 393.467 -0.192 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NN2C(=O)N[C@@](C)(CC)C2=O)cc1 298102703 ZKFSCCKWWYMMBX-INIZCTEOSA-N 378.410 -0.037 30 20 GBED N#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@H](O)CC[C@H]2C1 349487914 DHYBUIDXJBHUFV-NWANDNLSSA-N 391.515 -0.273 30 20 GBED Cn1cc(NS(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CC2)ccc1=O 349579944 UKCQBXDRFACDFD-UHFFFAOYSA-N 388.471 -0.260 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nnnn1CC1CC1 474675811 KOSVXCXJUOTWPM-LLVKDONJSA-N 389.441 -0.062 30 20 GBED N#Cc1cccc(F)c1CC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 491901021 KHPDYYOLYXYIBM-CVEARBPZSA-N 381.429 -0.458 30 20 GBED CN1CCN(S(=O)(=O)c2ccc(NCCn3cnc(C#N)n3)nc2)CC1 578309364 ACPNMTPQFODGLS-UHFFFAOYSA-N 376.446 -0.407 30 20 GBED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 596691556 ZTUYADQTWLTDMJ-BSDSXHPESA-N 375.400 -0.053 30 20 GBED N#C[C@@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)N2CC[C@](F)(C#N)C2)C1 619681699 GZOFTOPDRYEDHV-STQMWFEESA-N 396.441 -0.089 30 20 GBED C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734034049 COMGQZZMPMNBEL-RYUDHWBXSA-N 395.437 -0.079 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cccc(C(=O)O)c2)C1=O 736106679 HFYKKDNRMWMHPQ-UHFFFAOYSA-N 389.320 -0.157 30 20 GBED CS(=O)(=O)CCS(=O)(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 742274484 ACSDNSSZELFZLW-UHFFFAOYSA-N 388.471 -0.080 30 20 GBED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cn(C)c(=O)nc2O)c1 749505509 VRYAKDWGJLBWSS-UHFFFAOYSA-N 396.403 -0.027 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 761036744 IOLCZLWNTIFLDR-UHFFFAOYSA-N 395.872 -0.067 30 20 GBED CNC(=O)Cn1nc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1C 767993683 CJVFQIQHUHMVQY-UHFFFAOYSA-N 390.425 -0.385 30 20 GBED Cc1cc(C(=O)[C@@H](C#N)C(=O)c2nccn2C)nc2c1c(=O)n(C)c(=O)n2C 770865769 GXHIEXKUXTZIIA-SNVBAGLBSA-N 380.364 -0.121 30 20 GBED C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 804947319 CUOGDWYXZBPSTE-HUUCEWRRSA-N 393.531 -0.299 30 20 GBED COc1ccc(CNC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)cc1C#N 809503985 NHEWEISKBVDLES-MRXNPFEDSA-N 390.440 -0.665 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCCn1cc(CO)nn1 811598128 NIUOWWYKXCITGZ-UHFFFAOYSA-N 392.441 -0.595 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CCNC(=O)c2ccc(F)cc2)CC1 831556765 SUNJKFBVFWPRJH-UHFFFAOYSA-N 396.444 -0.443 30 20 GBED N#CCCNC(=O)CN1c2ccccc2N(CC(=O)NCCC#N)S1(=O)=O 914684904 PMHVHYLSIPEBDO-UHFFFAOYSA-N 390.425 -0.382 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)C[C@H]2OC)CC1 942127876 CSIGRWPXPLZVEZ-HPBDAGMYSA-N 393.484 -0.523 30 20 GBED C#Cc1ccccc1CC(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 968407120 PGGQSIJLIJZIFT-DQEVTTJGSA-N 385.464 -0.383 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 970002587 WWTUFAUTEJHZDS-YUDUXTHKSA-N 377.441 -0.188 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cnn(C)c2C)C1 1024052894 IUWSLYUQLSZYTN-LHHMISFZSA-N 376.457 -0.060 30 20 GBED C=CCCn1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 1043228766 SHHFKRJQGJHXJS-WALBABNVSA-N 387.440 -0.419 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CN(C)C[C@@H](C)O1 1109442731 DPOXAXBDYVICQN-RBGFHDKUSA-N 393.488 -0.561 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CN(C)C(=O)N1 1110890804 IOTAAXYWRUSAJS-TUVASFSCSA-N 376.461 -0.506 30 20 GBED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(OCC#N)cc2)C1 1322724406 ZHOUEYQQWWKECY-OAHLLOKOSA-N 394.453 -0.255 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2cn(-c3ccccc3)nn2)CC1 1323850403 CVRDHEIGOMVQRM-UHFFFAOYSA-N 394.435 -0.129 30 20 GBED CN1C(=O)CC[C@@H](NC(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1=O 1325952115 FTASOEXWBLGEGT-CABCVRRESA-N 384.392 -0.278 30 20 GBED Cn1nc(Br)c2c(=O)n(CC(=O)N3CC[C@](O)(CC#N)C3)cnc21 1327191093 WXCSWHOYPQMXHD-CQSZACIVSA-N 395.217 -0.230 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)c1 1331947227 WILPDOSKNZBCQR-KRWDZBQOSA-N 393.451 -0.199 30 20 GBED CCN(C1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1)S(C)(=O)=O 1332376847 LFINLLZSMOJWGW-INIZCTEOSA-N 386.474 -0.864 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCc2cccc(NS(C)(=O)=O)c2)nn1 1349024936 CHHGXOMLRBYQHZ-UHFFFAOYSA-N 392.441 -0.232 30 20 GBED CC(C)NS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1541713099 QVGIGPVSTNYGMV-KGLIPLIRSA-N 398.489 -0.161 30 20 GBED C#CCOc1ncccc1C(=O)N1CC(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573287301 AVNFLYZDOXHDGR-UHFFFAOYSA-N 392.379 -0.144 30 20 GBED C[C@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C2)CC1 1573569634 CQWADDUPHKFYOG-CHWSQXEVSA-N 382.432 -0.461 30 20 GBED C[C@H](C#N)C(=O)NC[C@H]1CCC2(CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)O1 1573576561 HMMPWWNJVWWPBT-ZYHUDNBSSA-N 384.400 -0.156 30 20 GBED C=CCOCC(=O)N1CCC(CO)(NC(=O)[C@@H](C)OCc2cnn[nH]2)CC1 1575109377 YJOZWMZXBJQESP-CYBMUJFWSA-N 381.433 -0.618 30 20 GBED C#CCN(C)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1C[C@H]1CCCCO1 1588349872 POAMICWKJNZSKL-GFCCVEGCSA-N 383.420 -0.264 30 20 GBED C#CCNC(=O)[C@H](C)N1C[C@@H]2C(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C1 1588353256 MDOUMDSRQHEOIK-ZLKJLUDKSA-N 382.428 -0.760 30 20 GBED C#CCNC(=O)CNCC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588353951 BTKIERSQKOHUMV-ZDUSSCGKSA-N 384.444 -0.081 30 20 GBED C=CCCO[C@H](C)C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCO1 1588608146 GIHLFUVYVRKGIB-CHWSQXEVSA-N 388.432 -0.041 30 20 GBED C=CCCn1cc(C(=O)NC[C@H](CO)Nc2ncccc2-c2nn[nH]n2)nn1 1588620927 MXPGYJDCNDAFES-LLVKDONJSA-N 384.404 -0.368 30 20 GBED CN(C[C@H](O)CN(C)c1ncccc1-c1nn[nH]n1)C(=O)CSCC#N 1591046145 JJFOCLXKWYIIBV-NSHDSACASA-N 376.446 -0.226 30 20 GBED CN(c1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1591158810 VUVRTBTZMNIJKN-CYBMUJFWSA-N 393.411 -0.160 30 20 GBED C#CCOCCC(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[nH]n2)C[C@H]1O 1602729537 WGYIEZNLYYUSEZ-GHMZBOCLSA-N 377.430 -0.663 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[nH]n3)cn2)nn1 1602882830 VVRGIFHLLIWESR-SUNKGSAMSA-N 393.415 -0.026 30 20 GBED N#Cc1ncn(CCNC(=O)N2CCN(c3ncccc3-c3nn[nH]n3)CC2)n1 1609501104 BALUAPAGFKUJDU-UHFFFAOYSA-N 394.403 -0.743 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCNC[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 1609586599 MWOXTENXZCNQCK-LTRYHMRKSA-N 399.411 -0.278 30 20 GBED NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779105633 GPMWCBCPCXIQJL-CPIJOOSUSA-N 396.444 -0.389 30 20 GBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1783046131 JTCLFQOLDAHHNK-AUUYWEPGSA-N 395.456 -0.275 30 20 GBED C[C@@H]1CCc2c(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)n[nH]c21 1783561627 CLMLDDJPBYDPIL-CWTRNNRKSA-N 386.408 -0.009 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786892469 DLZPMQMHYMJRDS-GVRJEKJASA-N 380.489 -0.229 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(C)=O 1792530947 GMDGNOQJZZJXQG-USACIQFYSA-N 379.457 -0.471 30 20 GBED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C 1792625101 JNRPMMDZPJFXHS-JLVBRIDZSA-N 396.488 -0.170 30 20 GBED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793940836 IJRQMZGMXYTLRN-XBNNWQEZSA-N 398.485 -0.872 30 20 GBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CC(=O)NC2=O)C3)c1 1799417797 KRGZUWNRJFQFCW-CLLJXQQHSA-N 384.396 -0.310 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncnn3c1)C2 1800777299 OWKINBSRHZHOMW-FVCICTRLSA-N 383.364 -0.980 30 20 GBED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@](C)(O)CC(=O)O)C2 1800996184 RNDKTNSISSUWPO-FTUNRGFVSA-N 380.441 -0.005 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCNC)C2)C1 1831393983 SWNOKVTXQIBKSU-APWZRJJASA-N 381.473 -0.519 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1831420389 XXHXUVDMJPXTGA-QMTMVMCOSA-N 397.472 -0.455 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1831488073 VISWYCLSOYGRBP-NVXWUHKLSA-N 397.501 -0.311 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1834765866 WTCAIGNACFUGIZ-GOSISDBHSA-N 389.412 -0.351 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccnc1)CCO2 1836161679 JFWLSSBTFPYTBT-LJQANCHMSA-N 387.392 -0.832 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1837315325 UEIXIHGFSDDKHN-CQSZACIVSA-N 393.318 -0.538 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2 1837736417 JASLRMRYYWBTPW-CRAIPNDOSA-N 383.445 -0.830 30 20 GBED C[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840020013 KIYAJRWZFBEWKR-QRWLVFNGSA-N 387.436 -0.062 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3)C2)C1 1840044273 SIWBZQWNIYJSDF-SUMWQHHRSA-N 382.438 -0.574 30 20 GBED COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1840322682 RACNDVFKOBKWNM-ABAIWWIYSA-N 375.447 -0.883 30 20 GBED NC(=O)c1nccnc1C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259478 VCNAAOUTJPXGMW-FOKLQQMPSA-N 399.455 -0.136 30 20 GBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055743 QLWYQZAKQABUMW-UHFFFAOYSA-N 381.435 -0.862 30 20 GBED Cn1cc(N2CCN(/C(=N/C3CC3)NC[C@@H]3CCS(=O)(=O)C3)CC2=O)cn1 262340899 CPJLKELIYUVPNV-ZDUSSCGKSA-N 394.501 -0.389 30 20 GBED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cn1 264765836 PWOFPVOLCNACGJ-ZDUSSCGKSA-N 388.471 -0.280 30 20 GBED CN1CCC[C@H]1C(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 290278927 MBAOUMBLLMJPAZ-INIZCTEOSA-N 391.497 -0.035 30 20 GBED CS(=O)(=O)CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C1CC1 291029983 JSJAZXUZUNYPQO-UHFFFAOYSA-N 385.467 -0.128 30 20 GBED C#CCN(C)CCCNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 293510652 YBFJXQCMSAAIPC-UHFFFAOYSA-N 392.481 -0.445 30 20 GBED Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)nc1 349451522 BZRVVQSPQUAVKE-UHFFFAOYSA-N 388.471 -0.188 30 20 GBED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 349605573 HAPRGERGTHFUHV-AAVRWANBSA-N 375.472 -0.575 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCCO[C@@H](CN)C3)C2=O)cc1 418912126 RBFIEZVCXSWGCQ-DLBZAZTESA-N 399.451 -0.254 30 20 GBED CN(C)C(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 517204620 DTTOXDICVNSTRA-UHFFFAOYSA-N 379.442 -0.338 30 20 GBED CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588125172 ZMLJEBSSXPTEBN-UHFFFAOYSA-N 378.477 -0.257 30 20 GBED C=CCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 674901579 SFRAPYSABVYEQY-GFCCVEGCSA-N 383.426 -0.328 30 20 GBED C=CCN(C(=O)Nc1cnn(CC(=O)NCCOC)c1)[C@H]1CCS(=O)(=O)C1 678892741 PGPVKUFIHUHOCW-AWEZNQCLSA-N 399.473 -0.147 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 728536044 GJDIIQJRJIWJNN-UHFFFAOYSA-N 396.447 -0.044 30 20 GBED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCCCN1C(=O)CNC1=O 733428009 KZSULDUVLCREIL-UHFFFAOYSA-N 380.382 -0.678 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2F)C1=O 735425792 HBXUNQHWUWWOGX-UHFFFAOYSA-N 387.331 -0.401 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 748379344 LKGSCEYIMBCOCA-UHFFFAOYSA-N 393.356 -0.051 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)Cc2ccccc2F)CC1 761022726 CYAUYCIEECMOCC-UHFFFAOYSA-N 382.461 -0.131 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2cccc(C#N)c2)CC1 761031103 NMGQMKIGCQPAAK-UHFFFAOYSA-N 375.454 -0.740 30 20 GBED COCCNC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 784217655 TUWIDHANYVYIKW-RYUDHWBXSA-N 383.426 -0.081 30 20 GBED CC(C)(C)OC(=O)NCCN(CCO)C(=O)C(=O)Nc1cnn(CC#N)c1 785101373 KPCXLFOAWVCXAL-UHFFFAOYSA-N 380.405 -0.309 30 20 GBED Cc1nc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)cn1C 787681268 KWAIUJBZPBGRIM-NSHDSACASA-N 397.457 -0.109 30 20 GBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1 799285668 ASNZIPLJIXAHDG-GFCCVEGCSA-N 383.426 -0.104 30 20 GBED CCO[C@@H]1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1SC 807979862 YPMMDIYDXGZJLY-KOLCDFICSA-N 376.460 -0.741 30 20 GBED C[C@](C#N)(CC(=O)O)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 819842208 LKDLQLTWLOXBOK-CQSZACIVSA-N 384.370 -0.006 30 20 GBED C#CCNS(=O)(=O)c1ccc(S(=O)(=O)N=c2nc(C)[nH]n2CC)cc1 848943037 KNESEWUNMMOILR-UHFFFAOYSA-N 383.455 -0.259 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@]12CCOC2=O 848956411 SDLPRFIPNDMNOQ-HNNXBMFYSA-N 399.450 -0.041 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 912686521 YKWWNVNWWSOGAJ-LBPRGKRZSA-N 393.421 -0.898 30 20 GBED Cn1c(=O)c2cc(C(=O)NCCNc3ccc(C#N)cn3)n(C)c2n(C)c1=O 919712544 IXIJKNCCJPBGTP-UHFFFAOYSA-N 381.396 -0.316 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 972397049 MAXXPFMSXIYPQI-OLMMMNRUSA-N 390.484 -0.541 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1O 1023913139 CEPLMVWGTVSVFT-CRNXPOROSA-N 390.440 -0.547 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](N=c2cc[nH]c(C#N)n2)C1 1039623200 BUPZPYDCQRFDKT-KBXIAJHMSA-N 380.412 -0.183 30 20 GBED C#CCN1CCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1043650290 VDCOXSADKFDLOE-LUKYLMHMSA-N 375.469 -0.411 30 20 GBED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2CCCS2(=O)=O)cn1 1055465743 XNCFHHCAEMQVRT-MCIONIFRSA-N 376.442 -0.390 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC[C@@H]1CCCO1 1110461896 NBIRIAAHQMOFNN-QXSJWSMHSA-N 376.457 -0.857 30 20 GBED COCc1noc(CN2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)n1 1117311773 ODJUQLPGUFYIEG-UHFFFAOYSA-N 375.393 -0.793 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(CCC)[C@H]1CCS(=O)(=O)C1 1117587622 XUOGALXHKARGFA-LBPRGKRZSA-N 380.488 -0.871 30 20 GBED N#Cc1ncn(CC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)n1 1154701882 DPBZDNUUAOAIIF-UHFFFAOYSA-N 395.367 -0.873 30 20 GBED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H](C)C(=O)NC)C1=O 1324103783 RINMJVDZBNLLHK-CABZTGNLSA-N 391.453 -0.012 30 20 GBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C2CCNCC2)C1 1326583909 GMKZYGZYKASGMN-XNISGKROSA-N 388.472 -0.458 30 20 GBED C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(CCC#N)CC1 1333039622 XEDLYUJYGYRTPT-OAHLLOKOSA-N 393.513 -0.088 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CNC(=O)C2)cc1 1333040925 CFJURUQMTZGARQ-LLVKDONJSA-N 386.455 -0.755 30 20 GBED C=CCn1c(CN2CCC[C@@H](O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1340329584 GNFXMHQHOZEJLX-MRXNPFEDSA-N 391.520 -0.369 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCNS(C)(=O)=O 1340588700 DKLSATRCCGFCRU-NSHDSACASA-N 388.471 -0.767 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2CCCNC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1574937536 ZCQVVNKWCGXHLG-UONOGXRCSA-N 375.477 -0.286 30 20 GBED Cc1ccc(C#N)c(N2C[C@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 1581138075 PKBTUYQLYNIADL-KGLIPLIRSA-N 379.384 -0.251 30 20 GBED N#Cc1ccc(C(=O)N2CCO[C@@H](CN=c3cc[nH]cc3-c3nn[nH]n3)C2)[nH]1 1581868599 YFXWUWGDOSHPEJ-LBPRGKRZSA-N 379.384 -0.164 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCCO1 1588356290 BGAOPFSXKVIKFH-STQMWFEESA-N 386.416 -0.594 30 20 GBED C#CCOCCC(=O)NC[C@@H]1CN(c2snc(C)c2-c2nn[nH]n2)CCO1 1588362284 YNTFILBWOVFWCG-GFCCVEGCSA-N 391.457 -0.007 30 20 GBED CCCNC(=O)CN(C)C(=O)CSc1nc(N)c(-c2nn[nH]n2)cc1C#N 1590637094 LYUBBPRJGJTTAB-UHFFFAOYSA-N 389.445 -0.208 30 20 GBED COC(=O)c1cc(-c2nn[nH]n2)c(=O)n(CC(=O)N(CCC#N)CCC#N)c1 1591286317 DRGXDXBBAFPDMX-UHFFFAOYSA-N 384.356 -0.529 30 20 GBED N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(-c3nn[nH]n3)n2)C1 1592670617 IECMJTLTVHHWDT-INIZCTEOSA-N 396.346 -0.150 30 20 GBED N#CCSCC(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)c(F)c1 1592679150 HGFVBQOYNKMDLN-NSHDSACASA-N 379.421 -0.171 30 20 GBED C=CCOC[C@@H](NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)O 1602910475 ZCTOOWQLBKBCAB-BDJLRTHQSA-N 383.401 -0.626 30 20 GBED N#Cc1cn(CCNC(=O)[C@@H]2COCCN2CC(F)(F)F)c(=O)nc1O 1641034241 WMMFLRKAOUJUOG-JTQLQIEISA-N 375.307 -0.800 30 20 GBED CN1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)CC1 1778258950 ZLYBZTKHZYVFOF-LJQANCHMSA-N 375.473 -0.633 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1778780942 JJNZJZQZZZHFDY-YJBOKZPZSA-N 379.413 -0.706 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1778970401 ZCIDUVFRPVYSAO-GUYCJALGSA-N 388.486 -0.566 30 20 GBED CC(=O)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779021676 SLLHLLSFRUQLRY-DBRLUCFCSA-N 393.488 -0.186 30 20 GBED CNC(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779099346 FKEVJNCGFXZPSB-CLBJDOSESA-N 396.444 -0.519 30 20 GBED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1781854583 MZTXCQJOZXZQRP-KBXCAEBGSA-N 396.444 -0.037 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1 1784575241 KXMBNZYUFPPUFN-YTFOTSKYSA-N 379.413 -0.887 30 20 GBED CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21)C(=O)O 1786893964 KWSKJVSYKVXWGZ-FQUUOJAGSA-N 380.445 -0.421 30 20 GBED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21 1789952519 KXHTWFAPBNBPDW-QTVXIADOSA-N 396.444 -0.125 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncccc3F)C[C@@H]21 1791077280 UCCBILQYEAXAFC-OBJOEFQTSA-N 375.356 -0.098 30 20 GBED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C[C@@H]21 1791263762 MUQLNUQGHYYJFN-NRKLIOEPSA-N 398.573 -0.080 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(C)noc1N 1795569974 SPKUPWRKARKDKJ-XPCVCDNBSA-N 376.413 -0.193 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2 1831012824 HSKMNXPDBUEXJK-LJQANCHMSA-N 391.424 -0.692 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOC)C2)C1 1831391791 VRHMNWIIZQIMEH-QFBILLFUSA-N 398.456 -0.856 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]nc3C)C2)C1 1831397807 XGRJCCVLCZFZKP-BEFAXECRSA-N 390.440 -0.174 30 20 GBED CN(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1834940408 DSRBVIPERRYJQM-FUNKKEAFSA-N 395.504 -0.524 30 20 GBED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1835098985 WCGBHCCQJMWAOJ-FQEVSTJZSA-N 395.419 -0.074 30 20 GBED CC(C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733199 SGGCDNFNTIFLDH-VQIMIIECSA-N 390.440 -0.027 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC[C@@H]1CCOC1)CCO2 1840590025 AUAHDYQCPSIIGB-DNVCBOLYSA-N 394.424 -0.653 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CC1)CCO2 1840633566 OOQZQZFVPZPEBG-SFFCAUCYSA-N 377.441 -0.289 30 20 GBED COc1ccc(CC(=O)N2CCCC23CN(C(=O)Cn2cnnn2)C3)c(C#N)c1 1845138823 XSVJBKOJVAFMRH-UHFFFAOYSA-N 395.423 -0.001 30 20 GBED Cn1c(=O)c(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)nc2ccccc21 1846195558 FICDGTGDNQNVCQ-UHFFFAOYSA-N 394.387 -0.162 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(=O)NC3CC3)CC2)cc1 25172736 HNBDAHAIPIXPQZ-UHFFFAOYSA-N 391.453 -0.147 30 20 GBED C/N=C(/NC[C@H]1CCCN1C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 153586050 UDXJJQJDIHVILD-OAHLLOKOSA-N 384.506 -0.208 30 20 GBED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 275469915 DZQNPVOAPXBHHA-DFBGVHRSSA-N 395.437 -0.250 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCCN(c3ccnn3C)C2)C1=O 289592538 JOMAICZPLOHLKY-GJZGRUSLSA-N 388.472 -0.250 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)N(C)C)cc1 291427531 AVBMTFPPWQZMAU-UHFFFAOYSA-N 375.472 -0.228 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H]1COC[C@H]1O 349444065 CCFIDODOHMUTMO-QJPTWQEYSA-N 389.455 -0.743 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 349472638 XEPBHSJPKTVSEU-XJFOESAGSA-N 375.472 -0.623 30 20 GBED CN1C[C@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCC1=O 363688588 MWTKLNFNZJGTJB-GFCCVEGCSA-N 384.371 0.559 30 20 GBED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC(O)(CC#N)C2)C1 373591258 DZRZRBBNYQIXGO-ZDUSSCGKSA-N 381.458 -0.086 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)CCO1 409503326 SCDFDHXJZQEVBM-BRWVUGGUSA-N 380.470 -0.319 30 20 GBED C[C@H](CN1CCN(c2ccccn2)CC1)NS(=O)(=O)N1CCO[C@H](C#N)C1 410127563 BIMCOWOLGYZUBN-HZPDHXFCSA-N 394.501 -0.349 30 20 GBED CN(C[C@H](O)CN1CCOCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443375060 MUFGTHBXOYMXFV-LBPRGKRZSA-N 384.414 -0.220 30 20 GBED Cc1cc(=NC(=O)N=c2ccn(CC(=O)N3CCOCC3)[nH]2)[nH]n1CCC#N 446189997 ZUSNPWWWAQKVSE-UHFFFAOYSA-N 386.416 -0.352 30 20 GBED CNC(=O)CCN(C)C(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 460083635 ZGHXYDLGASVTLG-UHFFFAOYSA-N 375.404 -0.060 30 20 GBED COC(=O)C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 478261629 YCMAUFKLWXNIKR-ZDUSSCGKSA-N 397.409 -0.600 30 20 GBED CC(C)(C#N)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 481259419 QDJDHWJRGDAHSQ-UHFFFAOYSA-N 383.430 -0.056 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3cc(C(N)=O)no3)CC2)nc1 483164650 FUYLPYZSYMEZJJ-UHFFFAOYSA-N 383.368 -0.995 30 20 GBED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)NC)C2)cc1 541966929 PABTUIWYVKDHKL-CQSZACIVSA-N 389.412 -0.094 30 20 GBED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccccc2)c(=O)n1CC(N)=O 547961855 PBPHAWQGJOVHID-CYBMUJFWSA-N 383.429 -0.496 30 20 GBED N#Cc1ccc(S(=O)(=O)CCN2CCN(CC(=O)NC3CC3)CC2)nc1 567391421 FMAFZKPKLRBLMR-UHFFFAOYSA-N 377.470 -0.377 30 20 GBED N#CCC1(O)CN(S(=O)(=O)c2ccc(S(=O)(=O)NC3(C#N)CC3)cc2)C1 568768329 OZWLNCFOEKPMEO-UHFFFAOYSA-N 396.450 -0.330 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCn2cc(CO)nn2)c1 578104547 GNTJNRGATLBATM-UHFFFAOYSA-N 378.414 -0.873 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncc(C#N)s2)C[C@@H]1O 594637106 MAFUUVQGGRQKHN-ONGXEEELSA-N 394.500 -0.211 30 20 GBED CN(CC(=O)Nc1ccn(CCC(N)=O)n1)S(=O)(=O)c1ccc(C#N)cc1 609788924 ORJFCDLPMJNFPG-UHFFFAOYSA-N 390.425 -0.111 30 20 GBED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](CO)[C@@H](O)C1 799002997 NJMVDOHEXWECIG-OCCSQVGLSA-N 381.454 -0.293 30 20 GBED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cnn(C)c2N)CC1 814850862 HKLQJLADFZYEAN-UHFFFAOYSA-N 378.462 -0.221 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ncn(C)n1)[C@H]1CCCO1 848963214 MKTSZYIIGUBWQT-NWDGAFQWSA-N 391.475 -0.953 30 20 GBED C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1nnc([C@H]2CCCO2)o1 848964529 AUCJVWSSBWAUMP-WDEREUQCSA-N 392.459 -0.006 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O 860004695 LOUQVTJXKSBKOX-JTQLQIEISA-N 384.433 -0.261 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1O 964193568 NPYYIEGCYOLPGL-YVSFHVDLSA-N 375.425 -0.007 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2ncc3cccnc32)C1 969311237 XSSHVZPQVFBAEG-WCVJEAGWSA-N 385.424 -0.290 30 20 GBED C=CCCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 969331379 CIPGTIABHCVQOL-PYIKXHKCSA-N 387.440 -0.421 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2CCOCC2=O)cn1 997560622 NJXRLYLDYGXMRK-IKGGRYGDSA-N 382.420 -0.217 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[nH]cnc2n1 1000559741 LEFSGKLPOKTOQA-MUGBGTHKSA-N 398.423 -0.130 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2nc(C)no2)C[C@H]1O 1023960658 QYAQMZHAKYMJEH-TUVASFSCSA-N 378.429 -0.020 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCCC1=O 1108910464 PSUYABAJCBRAMG-RDBSUJKOSA-N 377.445 -0.658 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C[C@@H]1n1ccnn1 1130015258 OLPWUFFIDUNMNY-MLHJIOFPSA-N 393.451 -0.432 30 20 GBED COc1cc(C#N)ccc1C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1154339799 YGCNSWFSQQBFKO-UHFFFAOYSA-N 384.396 -0.331 30 20 GBED N#Cc1cn(CC(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c(=O)nc1O 1157850885 WNJFJUOWAFMCBI-GXSJLCMTSA-N 399.329 -0.310 30 20 GBED Cc1ccc(C(=O)NC[C@@H](O)CN2CCCC2=O)cc1S(=O)(=O)NCC#N 1319299317 NLXMRVKXWDFUPE-CQSZACIVSA-N 394.453 -0.490 30 20 GBED Cn1ccnc1CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1322554282 PMBNUMCHKGWKRX-OAHLLOKOSA-N 380.408 -0.175 30 20 GBED COCCN(CCNC(=O)C(=O)N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1325647294 OUCAPDDLINLNFC-CYBMUJFWSA-N 384.433 -0.263 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CCS(=O)(=O)C3)CC2)c1C#N 1326477599 VMNVCPWZVNLDHY-CYBMUJFWSA-N 380.474 -0.134 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CCN1C1CC1 1331882308 YZXRIESEKBASGN-HOTGVXAUSA-N 389.456 -0.965 30 20 GBED C=CCn1c(Cc2nc[nH]n2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1339641738 OBSVMPJSASMVPB-UHFFFAOYSA-N 385.476 -0.083 30 20 GBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1341315614 BRYDTLPSIQNSTN-AWEZNQCLSA-N 396.455 -0.112 30 20 GBED N#CCCCCNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 1346116293 ADSMXRUFYXSWGE-UHFFFAOYSA-N 383.430 -0.541 30 20 GBED Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)no1 1349044914 GSNQIUVAGKGEPH-UONOGXRCSA-N 388.428 -0.126 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(CNC(C)=O)cc2)CC1 1352261107 LMCMGNYKOMYJBI-UHFFFAOYSA-N 378.454 -0.452 30 20 GBED N#CCNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(OCc3cnn[nH]3)cc2)C1 1577710244 UCTZJKVQPUJHQI-CQSZACIVSA-N 383.412 -0.172 30 20 GBED CN(C[C@H](O)CN(C)c1cnc(C#N)cn1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1579030418 SUBCBKAKHFDRMF-GFCCVEGCSA-N 382.388 -0.574 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCC(O)(CN=c2cc[nH]cc2-c2nn[nH]n2)CC1 1588357252 JRMLXHMJCUVHER-ZDUSSCGKSA-N 385.428 -0.513 30 20 GBED C[C@H](NC(=O)CSc1nc(N)c(-c2nn[nH]n2)cc1C#N)C(=O)N(C)C 1589926304 KXOMUUCJHABAPU-ZETCQYMHSA-N 375.418 -0.599 30 20 GBED N#CCSCC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[nH]n3)nn2)C1 1592679704 ZXKDUIHDGQJPMO-OAHLLOKOSA-N 389.445 -0.639 30 20 GBED CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)O)C1 1596496054 SOHUERYXHOMQHY-NSHDSACASA-N 387.439 -0.041 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)O)cn2C)CC1 1602725214 QLPVSRVLEWUKFE-UHFFFAOYSA-N 382.442 -0.831 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nn[nH]n2)C1 1602885632 HAINDYFKVLCALJ-IAISJRAMSA-N 385.428 -0.090 30 20 GBED CN(C[C@@H](O)c1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1604720421 HWKTWWGUTDSXKG-RDTXWAMCSA-N 399.411 -0.764 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)C2CCC2)C[C@@H]1O 1757178073 SJRCCFYQFGNOTP-IVSAIRAKSA-N 379.457 -0.428 30 20 GBED CCN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1764691642 QIVKYWRDUUAHQN-QWHCGFSZSA-N 396.473 -0.613 30 20 GBED CN(C)C(=O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779016888 SOVSXLFWNIPWJX-LPGQDOADSA-N 379.461 -0.624 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cnc3ccccn13)CCO2 1783558214 QAJLKRQDLYXFFP-HXUWFJFHSA-N 396.403 -0.205 30 20 GBED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C(=O)O)ncn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c1cc(O)n(C)n1 1794322281 CRSZIAIWFIXVGJ-JFILPPLUSA-N 378.429 -0.080 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)NC(=O)OCC 1798263628 XHADQARDJMBMBY-SSZWKKLZSA-N 381.429 -0.273 30 20 GBED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(O)O)C3)c(Cl)c1 1799750738 NLPMRIAOBVFHCA-GNXNZQSNSA-N 379.800 -0.274 30 20 GBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1800987711 VNEBXFLGZYDASF-ZVXAKGHKSA-N 382.442 -0.531 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)n2)C3)CCC1 1801981302 SDJOCGWNFNSSFF-GNXNZQSNSA-N 387.396 -0.215 30 20 GBED C=CCC(=O)N1CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812716396 OKXIRXWDJAJLKH-YLJYHZDGSA-N 390.484 -0.050 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1831435532 UGRCNRISMJFUSH-RKVPGOIHSA-N 383.445 -0.832 30 20 GBED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3csnn3)CC2)CC1 1833558762 BRPHZQFWLKZVLO-UHFFFAOYSA-N 391.453 -0.189 30 20 GBED Cc1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1834288781 WGYGCEZIXOHUJT-IBGZPJMESA-N 387.392 -0.452 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2 1835427214 DLVLHKHRCRXWSS-QGZVFWFLSA-N 385.486 -0.550 30 20 GBED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1836347563 JBODIWWNNNVNSD-GOSISDBHSA-N 393.444 -0.143 30 20 GBED Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)cn1 1840464422 RAIMGJWRNHNJHI-GOSISDBHSA-N 375.429 -0.277 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC(N)=O)C2)C1 1840842061 KZHNEJZWVYKQBO-KBXCAEBGSA-N 380.445 -0.697 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](COC)NC(C)=O)C2 1841054651 AKRRFFYIMSIUBW-IDTUSYRASA-N 392.456 -0.801 30 20 GBED COC[C@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1844384277 DOZXUHAZUFRPDA-HNNXBMFYSA-N 393.488 -0.377 30 20 GBED C#Cc1cccc(NC(=O)CNC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)c1 264448968 GHGGWEIRDIHUGQ-UHFFFAOYSA-N 399.451 -0.014 30 20 GBED C#CCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 264794868 WSBWEEXTCVOGOM-UHFFFAOYSA-N 398.419 -0.414 30 20 GBED COC(=O)[C@H]1CS(=O)(=O)CCN1CCS(=O)(=O)c1ccc(C#N)cc1 274021901 LSUPQUQRCXVNEG-CQSZACIVSA-N 386.451 -0.396 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)cc1 275940130 ASZCYHOEIDHFLY-KBPBESRZSA-N 397.453 -0.614 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N(CC)CC)CC2)CC1 286752398 STPLDJFIDSJKDV-UHFFFAOYSA-N 393.532 -0.234 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)C1=O 288599710 WIEUEUYFSNLBOH-ZDUSSCGKSA-N 391.428 -0.240 30 20 GBED CS(=O)(=O)N1CCC(C/N=C(/O)N2CCCN(S(C)(=O)=O)CC2)CC1 328678704 MOWGAKREQDJGOI-UHFFFAOYSA-N 396.535 -0.461 30 20 GBED Cc1c(NS(=O)(=O)CCCS(=O)(=O)N(C)C[C@@H](C)C#N)nnn1C 349514876 GANQMZJUSHIDCA-JTQLQIEISA-N 378.480 -0.323 30 20 GBED C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N2CCSC[C@@H]2C#N)CO1 349579076 SQWMGBSLDIIHAK-UPJWGTAASA-N 397.544 -0.256 30 20 GBED CCC[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)CCN1C(=O)Cn1cnc(C#N)n1 426877771 ZRFOXQYWSFAMPL-CYBMUJFWSA-N 396.415 -0.847 30 20 GBED CN(CC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)S(=O)(=O)c1ccc(C#N)cc1 470235971 FDWMNZICJNLMDK-JSGCOSHPSA-N 380.426 -0.672 30 20 GBED N#CCCN(C(=O)CN1C(=O)[C@@H]2CN(C(N)=O)CCN2C1=O)c1ccccc1 482081653 ZCYZYNGYWIARFT-AWEZNQCLSA-N 384.396 -0.040 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(CC(=O)NC3(C#N)CCC3)CC2)cn1C 527376932 HQWVRCXLFZZZJO-UHFFFAOYSA-N 380.474 -0.403 30 20 GBED C[C@H](N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)NC1(C#N)CCCCC1 533383540 PDGMULYFEGPSPX-JYJNAYRXSA-N 398.529 -0.195 30 20 GBED CCn1ncnc1CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 567521063 OGFSVGFWFXFIKT-UHFFFAOYSA-N 384.443 -0.422 30 20 GBED C[C@@H](NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1cccc(C#N)c1 587671972 AYAUZAMNGWRWBP-CYBMUJFWSA-N 396.411 -0.907 30 20 GBED N#CC[C@]1(O)CCN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1 591943107 FSYCAIDTOPRGPF-SFHVURJKSA-N 387.444 -0.425 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC2(C(N)=O)CCC2)cc1 594623485 KCWMWMRIWXXSNS-UHFFFAOYSA-N 386.455 -0.483 30 20 GBED Cc1nc(=NS(=O)(=O)c2ccc(S(=O)(=O)NC[C@H](C)C#N)cc2)n(C)[nH]1 594629633 KVKORKTVLUJYNV-SNVBAGLBSA-N 398.470 -0.216 30 20 GBED C=CCNC(=O)CN1CCN([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 735432818 WJELWKQMNPQIIN-MRXNPFEDSA-N 384.444 -0.687 30 20 GBED CC[C@H](C)NC(=O)CN1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 735846417 UIBRCKJGXBQSGN-JGWKNBOWSA-N 391.472 -0.038 30 20 GBED C[C@](C#N)(NC(=O)COC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C1CC1 745587050 QIQGOZRVWQLRFU-QGZVFWFLSA-N 393.421 -0.089 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)[C@@H]1CCCO1 773797496 ODDLPJRXMJRNRB-HOTGVXAUSA-N 375.429 -0.549 30 20 GBED CC(CN1Cc2ccccc2C1)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 792635249 PPNFQURZJRLIBW-UHFFFAOYSA-N 391.453 -0.246 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)CC2(C(=O)OC)CCCC2)CC1 809819190 WYUNUMVAOSOUHF-UHFFFAOYSA-N 399.513 -0.193 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2Cc2ccccn2)CC1 831561560 ZTBDMAQCXCXRFT-KRWDZBQOSA-N 391.497 -0.342 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 949529691 CCTJIRKHCMUXIM-COMQUAJESA-N 390.444 -0.679 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 970676542 HUYSRHJRNVYSIV-MWNCTCPHSA-N 390.440 -0.214 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 973410386 JOPCVQCSKYYXFE-UGDFAFBOSA-N 375.469 -0.101 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H]1CC 985074580 SKSLYOOOKHHFLL-BARDWOONSA-N 377.445 -0.331 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1O 1023960497 NUZZSDCVVPPHCO-QZKOUSHUSA-N 376.413 -0.604 30 20 GBED C=CCOCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1056042202 NDPKRHKSANTTBS-BVYOLEPJSA-N 382.457 -0.290 30 20 GBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CC(=O)N(C)C1=O 1111272647 ZAPMBSFDSAIECL-SYQHCUMBSA-N 377.445 -0.707 30 20 GBED CN(C)CC#CCNC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 1119812323 PUJSYNYAORTHLC-UHFFFAOYSA-N 394.501 -0.150 30 20 GBED N#Cc1cn(CCC(=O)NC[C@H](O)COc2ccc(F)cc2)c(=O)nc1O 1137402746 RJWYIQOXHQDVSC-ZDUSSCGKSA-N 376.344 -0.094 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2C=C)C1 1193075501 GNBLMQREHMZTQA-TUVASFSCSA-N 380.445 -0.859 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CCN(C)CC2)C[C@H]1C 1214654236 XKBNBEBHNSXVLC-UIXUWTQFSA-N 390.528 -0.081 30 20 GBED C#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1C[C@H]1C1CCOCC1 1218281474 FBJVUPAQWUHUOW-XWTMOSNGSA-N 375.469 -0.290 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 1261227454 UYKCOOSGVCHARA-HXUWFJFHSA-N 380.404 -0.158 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CO[C@H]3CCOC3)CC2)o1 1319058551 ZWDTUXGDWHGBIV-ZDUSSCGKSA-N 378.385 -0.148 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 1319063522 ZSPGZKCCDPRFDF-DDHJSBNISA-N 396.407 -0.341 30 20 GBED C#CCN1CCN(C(=O)CSc2nnc([C@H]3CCS(=O)(=O)C3)n2C)CC1 1319370258 WIFIUCFLFFBTGZ-ZDUSSCGKSA-N 397.526 -0.413 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1322967195 RCTDUZCJZVZRJT-UHFFFAOYSA-N 388.380 -0.355 30 20 GBED CCO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@H]1OC 1323808687 RGERGJVSHBUVPB-BFYDXBDKSA-N 387.440 -0.090 30 20 GBED Cc1nc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nn1C 1324964225 FXAJJJHKISVWCA-CQSZACIVSA-N 381.396 -0.149 30 20 GBED CN(c1ccccc1NC(=O)C(=O)N1CC[C@](O)(CC#N)C1)S(C)(=O)=O 1326086892 HMSZOYQXRHRTCN-MRXNPFEDSA-N 380.426 -0.102 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(C3CC3)c(C)cc2=O)CC1 1330917927 WUGVPGAZFUBRRF-UHFFFAOYSA-N 378.454 -0.283 30 20 GBED C#CCOCCNC(=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1334096419 QDCSCNITAPXXRB-UHFFFAOYSA-N 393.465 -0.696 30 20 GBED Cc1cn(C)c(CC(=O)N2CCO[C@H](C#N)C2)c1C(=O)N1CCO[C@@H](C#N)C1 1339392524 IOSUGZGQRIHIRR-CABCVRRESA-N 385.424 -0.008 30 20 GBED C=C(C)Cn1c(C[S@](C)=O)nnc1N1CCN(CC(=O)NCCOC)CC1 1343617148 CZVUFJOOMVLGCF-MHZLTWQESA-N 398.533 -0.383 30 20 GBED CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C(=O)N2CCC[C@](C)(C#N)C2)C1=O 1347029229 VYQHKDZGMLAITB-RZAIGCCYSA-N 375.429 -0.025 30 20 GBED CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)CCn1cc(C#N)c(O)nc1=O 1466220241 RLZVFEQAJQFECY-KFWWJZLASA-N 375.429 -0.079 30 20 GBED CO[C@]1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CCOC1 1554725369 YKQXGJIJKLAYBP-KDOFPFPSSA-N 390.444 -0.065 30 20 GBED C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1NCC[C@H]1C 1574614983 PZCIUUQUDYVVOS-KFWWJZLASA-N 396.517 -0.322 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C1 1588351919 AEVIEFOTJSSGTH-HIFRSBDPSA-N 381.444 -0.209 30 20 GBED CC(C)(C)OC(=O)N1CCO[C@@](C(=O)O)(C(=O)N[C@@H]2CCCN(O)C2=O)C1 1588693973 LZDDEFHCISPSNU-QLJPJBMISA-N 387.389 -0.427 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1nnc2c(=O)[nH]ccn12 1592665600 HYKOPYRNIJJCCT-LBPRGKRZSA-N 390.367 -0.404 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC1(C(=O)OC)CCC(C(=O)O)CC1 1599235570 DBXVJAGCNQCPBB-UHFFFAOYSA-N 391.446 -0.131 30 20 GBED C=CCCOCC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1602845071 WAYFCRZKSZWKNS-QGZVFWFLSA-N 389.416 -0.519 30 20 GBED CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@](F)(C#N)C1 1711417324 ILUJPVUYRRWSJC-AWEZNQCLSA-N 387.441 -0.593 30 20 GBED CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783679756 MWUZYIINMCRLPG-IHRRRGAJSA-N 385.486 -0.049 30 20 GBED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1783895787 TXYFQCXTTUPHKC-ZOWXZIJZSA-N 376.500 -0.288 30 20 GBED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1783898440 RRHMOZDXERHWGZ-ZANVPECISA-N 383.392 -0.187 30 20 GBED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2 1783908101 ZWEHRVYLAAPCGN-CRAIPNDOSA-N 381.429 -0.316 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CS(C)(=O)=O)nc1 1796081246 ZILGRTLHARZFGA-XOIINTDNSA-N 391.449 -0.537 30 20 GBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1cnccn1 1797871157 BSHPLHJKZUQQLE-AFIMGQEJSA-N 399.451 -0.402 30 20 GBED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OCC)C2 1801166839 FEWYZHCISXSSIT-YALNPMBYSA-N 395.456 -0.166 30 20 GBED C#CC(=O)N1CC[C@@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1809677148 FRUNGQPLLNNCLV-RXVVDRJESA-N 397.479 -0.115 30 20 GBED N#CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822024631 GXKQMCXNTIRSCR-CQSZACIVSA-N 378.433 -0.398 30 20 GBED Cc1cc[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1833547512 FGWWHKRSSOVZTE-GOSISDBHSA-N 375.381 -0.519 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1834759944 CGHDKDHBCNWJPN-GOSISDBHSA-N 384.396 -0.287 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1834760356 KYECBYDYNFEDPV-QGZVFWFLSA-N 380.401 -0.801 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)F)C2)C1 1835673197 YIUZVOOKFTUMDO-KRWDZBQOSA-N 388.415 -0.010 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1839809222 UVOPXONIAJSYLB-CQSZACIVSA-N 387.318 -0.473 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC(C)=O)CCO2)C1 1839874234 URYCDIFMZJTELI-SPYBWZPUSA-N 397.472 -0.442 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)C2)C1 1840044768 WRBZCYNVKXUUBD-LMWIJYBJSA-N 392.433 -0.594 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1840164297 FGARYAJZBUKZOK-OGHNNQOOSA-N 385.486 -0.713 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1840844060 BNUYZHXDCDZQSS-LSSBLYJVSA-N 377.441 -0.104 30 20 GBED N#Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@@H](N)CCC(N)=O)C2)cc1 1842879050 MDZKGBRQAIPUES-INIZCTEOSA-N 383.452 -0.103 30 20 GBED N#Cc1cc(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)ccc1F 264079752 NTQLBIQAKBTXJB-UHFFFAOYSA-N 380.401 -0.191 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC1 264087638 AHDAFAHXNFGFBG-INIZCTEOSA-N 386.452 -0.088 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CCCNC(=O)c2cccnc2)CC1 269362711 DDOFZEGXCSBDHV-UHFFFAOYSA-N 385.468 -0.125 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nnc(CC(=O)OCC)s2)C1=O 269781056 FQPXYDHVSCWOSL-UHFFFAOYSA-N 381.370 -0.441 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@](C)(O)Cn2ccc(C)cc2=O)CC1 280390242 FLVYFSSMZZNWEL-HXUWFJFHSA-N 388.468 -0.809 30 20 GBED CCCN(C(=O)/C(=N/OCC(=O)OCC)c1cc[nH]n1)[C@@H]1CC(=O)N(C)C1=O 283337031 AOYAUORNCYNLBT-FTRNENOISA-N 393.400 -0.311 30 20 GBED CN(C)c1cc(C#N)cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 293486344 SIZWICQRDMRTGC-IRXDYDNUSA-N 392.481 -0.148 30 20 GBED COc1ccc(/C=c2/s/c(=C(/C#N)C(=O)N3CCOCC3)n(C)c2=O)cc1 298655114 BADYIAHGNHSEGW-SRDSUALGSA-N 385.445 -0.183 30 20 GBED C=CCN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)[C@@H]1CCS(=O)(=O)C1 299161263 OWRAVVRPVXBDDF-GFCCVEGCSA-N 385.467 -0.314 30 20 GBED C=CCN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)[C@H]1CCS(=O)(=O)C1 299161268 OWRAVVRPVXBDDF-LBPRGKRZSA-N 385.467 -0.314 30 20 GBED C[C@@H]1C[C@H](/N=C(/O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CCN1C 329817450 WQUPNVBQQQYXMO-CHWSQXEVSA-N 379.465 -0.655 30 20 GBED CNS(=O)(=O)CC/N=C(/O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 331265202 PHZZSALEMKGQLZ-ZDUSSCGKSA-N 375.495 -0.922 30 20 GBED Cn1cc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cn1 374776824 GZCAIIOFKMBVFB-UHFFFAOYSA-N 389.441 -0.686 30 20 GBED COC(=O)[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)Oc1ccc(F)cc1 409505421 AFDQMNSWTYMNRH-ZIAGYGMSSA-N 387.389 -0.195 30 20 GBED COc1ccc(OC)c(CN(CCO)S(=O)(=O)N2CCO[C@H](C#N)C2)c1 410124660 KZFWAVMPUQDBIU-OAHLLOKOSA-N 385.442 -0.033 30 20 GBED CCN(CCC#N)S(=O)(=O)NCCN(C)S(=O)(=O)N(CC)CCC#N 410387862 OLRUPARGCDDUDR-UHFFFAOYSA-N 394.523 -0.531 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@@]4(CCCN4)C3)CC2)c1C#N 423447391 OWKNPSBOHVFFPA-IBGZPJMESA-N 385.472 -0.397 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)OC)C2)cc1 503640647 BTAXCAMUZLLQTA-AWEZNQCLSA-N 375.381 -0.059 30 20 GBED CN(CC(=O)NCc1cccc(C#N)c1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 532665424 LZQURAWMBWMSMK-OAHLLOKOSA-N 378.454 -0.590 30 20 GBED C=CCN(CC(=O)c1c(O)nc(=O)n(C2CC2)c1N)[C@@H]1CCS(=O)(=O)C1 533387946 SOFREXVKOAHLMP-LLVKDONJSA-N 382.442 -0.276 30 20 GBED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@H](S(N)(=O)=O)C2)CC1 539449863 KFDTZQADWQOBGT-KBPBESRZSA-N 397.526 -0.180 30 20 GBED CN1CC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)N(C)CC#N)cc2)C1=O 582072777 IESOJHQMZBAVDR-ZDUSSCGKSA-N 386.455 -0.660 30 20 GBED COc1ncc(NC(=O)C(=O)NCC(=O)NCC#N)c(C)c1Br 595030997 ZPUBJGIERVERLX-UHFFFAOYSA-N 384.190 -0.144 30 20 GBED N#Cc1ncn(-c2ccccc2NC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)n1 597662285 MHEIGGQTYFRPET-LLVKDONJSA-N 375.414 -0.007 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 733148732 JYZCEEGZGDYKKX-UHFFFAOYSA-N 398.510 -0.778 30 20 GBED C#CCN1CCN(C(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 746257719 DVXXDZFOTJRKCH-INIZCTEOSA-N 382.420 -0.306 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2nc(C(=O)OCC)n[nH]2)c1 787906438 PYGHNEOJEAHWCH-UHFFFAOYSA-N 391.409 -0.177 30 20 GBED Cn1nc(C(=O)N2CCN(CCOC(=O)c3ccc(C#N)o3)CC2)ccc1=O 796833807 FACQMQKVVMHFER-UHFFFAOYSA-N 385.380 -0.140 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nn[nH]n3)o2)c(=O)n1C1CC1 821630016 JAZOTRFUIJPVIG-UHFFFAOYSA-N 383.393 -0.733 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(OC)c(-c3nn[nH]n3)c2)CC1 823849941 DJGFSKYBWLLYTQ-UHFFFAOYSA-N 391.457 -0.540 30 20 GBED C#CCC[C@@H](O)CNS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O 831380772 IGRDSDYCUGJCBT-CQSZACIVSA-N 394.449 -0.007 30 20 GBED C#CC[C@@H](NC(=O)c1ccnc(C(=O)N[C@H](CC#C)C(=O)OC)c1)C(=O)OC 837942259 DASHAWZIKLUGCI-ZIAGYGMSSA-N 385.376 -0.329 30 20 GBED CC(C)(C)NS(=O)(=O)c1ccc(NN=Cc2cn(CC(N)=O)nn2)nc1 841617567 IWZKGFQTNYRAIG-UHFFFAOYSA-N 380.434 -0.319 30 20 GBED CC(C)(C)n1nnc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 847189303 PDCQXNMQCCRFEH-UHFFFAOYSA-N 377.430 -0.217 30 20 GBED CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@@]1(C)CCOC1=O 848963622 XHPGMIYUMCTXKT-KBPBESRZSA-N 393.487 -0.387 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 850711217 QLBOMVZTXXIMQP-INIZCTEOSA-N 380.489 -0.456 30 20 GBED COC(=O)N1CCC(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 858452731 NTBUWFOLRFWUTH-UHFFFAOYSA-N 390.400 -0.135 30 20 GBED C#CC1(O)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1 934441534 SOJSBZOVYLOWIK-UHFFFAOYSA-N 393.465 -0.792 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1044222019 VHDOAKYYONJXRZ-NEMWNAMBSA-N 391.468 -0.430 30 20 GBED Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)cn2)c(=O)n(C)c1=O 1055387635 JMSFAHMZSUTUQA-YUELXQCFSA-N 380.408 -0.110 30 20 GBED C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1117697976 UAQLKSZVQBLLIS-KBPBESRZSA-N 394.453 -0.389 30 20 GBED Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCN(O)C3=O)CC2)cn1C 1117737708 QKHLFUPYWMBHJR-ZDUSSCGKSA-N 399.473 -0.374 30 20 GBED CC(=O)NCCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 1118245539 GSRQYJHSWFBAHN-LLVKDONJSA-N 380.426 -0.095 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1Cn1nnnc1N1CCN(S(=O)(=O)N(C)C)CC1 1120114396 JAKMXGUDTOMGKR-KGLIPLIRSA-N 385.494 -0.417 30 20 GBED C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1174913361 WEQZJPJELPPJFK-AWEZNQCLSA-N 387.318 -0.120 30 20 GBED N#Cc1ccc(S(=O)(=O)CCN2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)nc1 1195002958 YFPGPRZXTCRBDQ-UONOGXRCSA-N 385.467 -0.385 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1 1321573991 QKQWPQWNEITFJX-CQSZACIVSA-N 387.527 -0.810 30 20 GBED CC(C)CN1C[C@@H]2CN(C(=O)C(=O)NC3CCN(CC#N)CC3)CCN2C1=O 1322562611 MJCSTWSPMFYUDM-INIZCTEOSA-N 390.488 -0.305 30 20 GBED N#Cc1ccncc1C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1322641719 MZMRRXNKHGGFTQ-AWEZNQCLSA-N 392.437 -0.559 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1 1329790098 ATEZYNMFSUXYDP-UHFFFAOYSA-N 395.416 -0.056 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)CCN1C1CC1 1332036471 ILUWLPKCGFQTDC-AEFFLSMTSA-N 389.500 -0.244 30 20 GBED C#CCOCCNC(=O)C(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1 1342429028 DQRNLOIIPJYLCL-HNNXBMFYSA-N 378.498 -0.081 30 20 GBED Cc1c(C#N)c(=O)n(CCOc2ccc(-c3nn[nH]n3)cc2)c(=O)n1CCO 1580526008 HBCFCXTYECCJSM-UHFFFAOYSA-N 383.368 -0.559 30 20 GBED N#CC1(C(=O)N2CC(n3cc(-c4nn[nH]n4)c(O)nc3=O)C2)CCSCC1 1581857022 MTZALISQHMHCQT-UHFFFAOYSA-N 388.413 -0.451 30 20 GBED C#C[C@H](C)N(C)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1C[C@H]1CCCO1 1588326893 XQNYDPJDNFICBR-NWDGAFQWSA-N 383.420 -0.265 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588406975 ZGQSRAZZHULMQB-YGRLFVJLSA-N 388.432 -0.100 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O 1588504215 JSGJVOJQDIOOOG-IIDMSEBBSA-N 390.419 -0.006 30 20 GBED CNC(=O)CNC(=S)NN=Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 1591209118 VGCYEGQEQNVHAX-UHFFFAOYSA-N 398.456 -0.189 30 20 GBED O=C(CC#Cc1ccccc1)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)nn1 1592803346 UAICVIREFRAFCT-AWEZNQCLSA-N 378.396 -0.013 30 20 GBED O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1 1592980235 ABKSDEYDHPEPJH-WCQYABFASA-N 385.384 -0.284 30 20 GBED CC(C)(C)C#CC(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1603051841 ZMWYNIVIIFHGTE-GOSISDBHSA-N 385.428 -0.063 30 20 GBED Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)N[C@H]3CCN(O)C3=O)CC2)o1 1609445894 ZFILZBWERUPQPB-JTQLQIEISA-N 376.377 -0.514 30 20 GBED CC(=NNCCS(C)(=O)=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)O)cc1 1776054142 FYTZFUOPCVWMQR-NSHDSACASA-N 391.471 -0.204 30 20 GBED NC(=O)c1ccccc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781761783 SFAZLADTWSRPJN-LJQANCHMSA-N 385.376 -0.683 30 20 GBED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)n1cnnn1 1784598227 QORVOEVSLNFZFM-SJKOYZFVSA-N 384.400 -0.422 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)nn3)[C@H]2C1 1785843802 IOCMYMSRTPLKOQ-HOSILWTGSA-N 388.424 -0.186 30 20 GBED CC(C)n1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)n1 1787671118 BZHIGJKWWLRVIZ-IHRRRGAJSA-N 389.412 -0.460 30 20 GBED CN1CCN(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)CC1 1793256872 XNOGATOUQSBPDC-RMFSNUHRSA-N 388.512 -0.373 30 20 GBED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793945930 BXXASIIXNASPMQ-LOUJCGABSA-N 390.440 -0.632 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(OC)OC)C2 1799302041 VHOOTFOQQBZUGA-AGGWBTHJSA-N 384.429 -0.296 30 20 GBED N#CCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813173092 SBMQWUXFIGJAQC-AUUYWEPGSA-N 381.392 -0.074 30 20 GBED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831208226 JBEJGOFDWBMFBU-YWZLYKJASA-N 391.468 -0.229 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1831487818 SCUHGRIOBDPCPH-GOEBONIOSA-N 398.489 -0.916 30 20 GBED Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1O 1833401471 YVQJXVWDASKXOV-IBGZPJMESA-N 388.424 -0.391 30 20 GBED N#CCC(=O)NC1CCN(C2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1834398052 LJXGPZWBTITWOW-CQSZACIVSA-N 390.444 -0.930 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1834761175 SFQYGRQQVKMGMA-SFHVURJKSA-N 384.396 -0.287 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839085191 ZZDSBWYJMFPYRH-QINHECLXSA-N 389.452 -0.523 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1C(N)=O)CCO2 1839350058 GPFPYJVODDBFTM-IBGZPJMESA-N 386.408 -0.231 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1839807718 KDWXXDWTJGBSNX-WIYYLYMNSA-N 383.448 -0.210 30 20 GBED CC(C)O[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042207 GRUORZANYZSDCV-KBXCAEBGSA-N 382.413 -0.656 30 20 GBED C/N=C(/NCCNC(=O)c1ccco1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 262513942 CFFGWRJWFCWHSR-HNNXBMFYSA-N 377.445 -0.092 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](O)c2cc(OC)cc(OC)c2)C1=O 265580973 YGMFLMHWYDDCEA-AWEZNQCLSA-N 391.380 -0.170 30 20 GBED N#Cc1ccc(N2CCN(C(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)nc1 266242820 FQIBNPUQVOBSMB-DTDBQYNISA-N 395.419 -0.236 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)cc1 270868065 MSASYNHAQAZHTK-CYBMUJFWSA-N 381.454 -0.184 30 20 GBED C=CCNC(=O)CNS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 272051102 NFSKCSGBMRMXFW-UHFFFAOYSA-N 393.462 -0.332 30 20 GBED COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)O/N=C(\N)CCO 275467043 LDLKLCWNLRMSAI-JTQLQIEISA-N 388.446 -0.056 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 292281842 IHXVZRAELUHHSC-DOTOQJQBSA-N 380.489 -0.247 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(/C(O)=N/Cc3ccn(C)n3)CC2)cn1C 328948852 HBXTYIFHVOUWQL-UHFFFAOYSA-N 381.462 -0.117 30 20 GBED C[C@H](C(=O)N1CCCC1)N1CCN(/C(O)=N/CCNS(C)(=O)=O)CC1 331283096 DSHYSSJRBQXYER-CYBMUJFWSA-N 375.495 -0.922 30 20 GBED N#C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CCO1 332529830 FHBMPWGFWFRVFK-OAHLLOKOSA-N 396.444 -0.117 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N)[C@@H](C)C1=O 349472719 HEVWJYZAWJMCEG-STQMWFEESA-N 394.519 -0.567 30 20 GBED CO[C@@H]1COC[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 349476199 ZIJUIPCIAIZOPJ-GHMZBOCLSA-N 375.428 -0.819 30 20 GBED CN([C@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@H]1O 349537359 PYYYUGJIDGXINX-MCIONIFRSA-N 395.503 -0.846 30 20 GBED CNC(=O)[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1cccc(C#N)n1 349556314 WHGRZEDDGVMVDM-SNVBAGLBSA-N 389.459 -0.861 30 20 GBED C=CCNC(=O)NC(=O)CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 421034444 YJMZNGUWODXODZ-UHFFFAOYSA-N 399.429 -0.183 30 20 GBED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC1 422484430 ZWHHXWBRGOXLPY-HNNXBMFYSA-N 393.488 -0.566 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1C[C@H]2[C@@H](N)CCC[C@H]2C1 423540979 KHISVVRPAMMKHF-QXSJWSMHSA-N 397.483 -0.029 30 20 GBED CN1CCN(C(=O)CN2CCC(N(C)C(=O)[C@H](N)CCCC#N)CC2)CC1 424192931 QDQVBUMVTWKRPB-QGZVFWFLSA-N 378.521 -0.296 30 20 GBED CC[C@H](C)[C@H](NC(=O)c1cnn(C)c1C#N)C(=O)NCCN1CCOCC1 475921754 RVXZKKREWWNXRX-BBRMVZONSA-N 376.461 -0.115 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)C1=O 523002513 CZAXUXGNLARUQR-UHFFFAOYSA-N 399.363 -0.346 30 20 GBED CNC(=O)c1cc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cn1C 548370166 MLWZVBXIEBNGNP-UHFFFAOYSA-N 393.429 -0.383 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)C2=O)cc1 567521961 BEPAKVQTBOLJJW-IKGGRYGDSA-N 396.451 -0.387 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)CC1 590991448 OBNOEYJTHBYSHE-DTJSUFBGSA-N 381.436 -0.170 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H](n2cc(C(=O)O)nn2)C1 593274535 SWIPYISLFNCRMH-GFCCVEGCSA-N 386.434 -0.280 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)c3cnn(C[C@@H](O)CO)c3)C2=O)cc1 597563155 QKUNJOIRSBKKCK-SJORKVTESA-N 383.408 -0.361 30 20 GBED CN(CCOCCN)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 599942316 AGTYZONMCBNYGC-INIZCTEOSA-N 387.440 -0.396 30 20 GBED COCCc1noc(Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)n1 600605621 PFVDXGRXWRLHNQ-UHFFFAOYSA-N 391.384 -0.156 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 619711159 KSXHVXAUJGIQAT-OCCSQVGLSA-N 384.462 -0.390 30 20 GBED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H]2CCOC2)CC1 669058834 DOKPMYMZSRADNZ-KGLIPLIRSA-N 384.506 -0.015 30 20 GBED CCn1nccc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c1=O 677124064 YHIFWIQXEKXQJM-UHFFFAOYSA-N 387.465 -0.270 30 20 GBED N#CCNC(=O)COC(=O)CNS(=O)(=O)c1cccc(Br)c1 731238379 YKNVWYXAMJQZRP-UHFFFAOYSA-N 390.215 -0.090 30 20 GBED C=CCNC(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 758095673 ZOMIWLCTKBFBPV-LBPRGKRZSA-N 376.818 -0.175 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)c(=O)n(C)c1=O 771888829 HKRMOYKIELVVED-UHFFFAOYSA-N 383.342 -0.990 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)[C@H]1CCCO1 809313795 VFBCHOFJGCHOSX-CWRNSKLLSA-N 376.457 -0.905 30 20 GBED C#CC[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)C(=O)OC 837947824 OHLLRKABYDRGKD-YUELXQCFSA-N 398.412 -0.369 30 20 GBED CN(C)S(=O)(=O)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 845720496 QGGJTAOORKLLHE-LBPRGKRZSA-N 389.478 -0.304 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H]3NC(=O)CC[C@H]3C2)c1=O 853554787 DHOZNUPJFBAYMC-KBPBESRZSA-N 375.429 -0.898 30 20 GBED O=C1CC[C@@H]2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC[C@@H]2N1 855678293 XGOJAIXBHKIKAJ-YPMHNXCESA-N 376.438 -0.148 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCN2Cc3ccccc3C2)CC1 892437707 ASQXWNFUOMKRRD-UHFFFAOYSA-N 391.497 -0.203 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCN(C)[C@@H]3C)C[C@H]2O)CC1 1024131863 OADRTLKCIXVSOE-VDHUWJSZSA-N 376.501 -0.640 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CS(=O)(=O)C1CCCC1 1110731052 LXBNCPRUNJFYMQ-YUELXQCFSA-N 382.486 -0.295 30 20 GBED CNS(=O)(=O)CCNC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 1117352431 UBLTWVGDVITLOI-UHFFFAOYSA-N 394.453 -0.407 30 20 GBED C#CCNC(=O)CN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)C[C@@]3(C1)O2 1131244541 RJMQRPMIVTUCQH-VNWOMNPOSA-N 385.464 -0.539 30 20 GBED O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCN/C(O)=C1\N=CC=CC1=O 1318695015 SDOUTPNZENOMLH-FITGRYRNSA-N 384.392 -0.564 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccnn2-c2ccc(C)nn2)CC1 1321272794 AGDUUFPZMFNNLH-UHFFFAOYSA-N 395.423 -0.103 30 20 GBED C#CCNC(=O)C1CCN(C(=O)NCC2CCN(S(C)(=O)=O)CC2)CC1 1321309890 KREUXZSANMUGLK-UHFFFAOYSA-N 384.502 -0.171 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CCC[C@H](OCCO)C3)CC2)c1 1326851439 GNRZWDRQFVPQOC-INIZCTEOSA-N 387.440 -0.398 30 20 GBED C=CCn1c(CN2CCC[C@H](O)C2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1339598051 JOABWBKAHPNHGR-HOTGVXAUSA-N 378.477 -0.238 30 20 GBED CNS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@H](C#N)C1 1503838891 UWTWVPSVVRJVED-GFCCVEGCSA-N 379.446 -0.438 30 20 GBED C#CCN(CC(=O)O)S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O 1588425484 USHOKGPRWPNTHE-UHFFFAOYSA-N 394.405 -0.351 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588436330 NKZJKBRTNPVOOA-DYEKYZERSA-N 389.416 -0.617 30 20 GBED N#CCNC(=O)CNC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 1592677282 APSWKAPFPWYTJK-UHFFFAOYSA-N 397.443 -0.276 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@]1(CO)CCCN(c2ncccc2-c2nn[nH]n2)C1 1602725807 NBVBRDNOAPFTJP-UGSOOPFHSA-N 385.428 -0.253 30 20 GBED CCOC(=O)[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC12COC2 1633933390 ASSSDCPRDWPLHK-LBPRGKRZSA-N 376.369 -0.751 30 20 GBED CCN(C)C(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1695505073 WIXLEDVWMCGESC-NWDGAFQWSA-N 385.494 -0.038 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778263848 MNJMPBFSCMHKDY-FQEVSTJZSA-N 376.501 -0.133 30 20 GBED CNC(=S)NCCC(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1779035386 VCBSQRLWKBYFMX-GOSISDBHSA-N 378.498 -0.286 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(Cl)cnc1O)CCO2 1783556021 NDXNITHZGPNDJV-KRWDZBQOSA-N 393.783 -0.028 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783979899 QRVOSYMOYHLAKA-CQSZACIVSA-N 376.335 -0.201 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]nnc3C)C[C@@H]21 1784482012 AUMYPNGQCZBKHY-AJNGGQMLSA-N 375.429 -0.255 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1784847798 XFTJUMPLNKYFTJ-VLFBVMIHSA-N 389.452 -0.433 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C[C@@H]21 1790792825 ULIUWPSIPDFIAP-QEJZJMRPSA-N 383.408 -0.442 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)[C@H](C)CC 1793391628 QTKBUGOLOKZAQQ-WYVRYXJRSA-N 393.484 -0.159 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncnn1C 1794571104 QGMSBNMNWRRGNS-AGGWBTHJSA-N 391.428 -0.472 30 20 GBED CCN(CC)C[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778813 HUHBVQDZXDDYFK-ZXFNITATSA-N 379.457 -0.358 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@](C)(O)CC(=O)O 1801002665 GLYXWOKLGIKUCM-QJZXKKCJSA-N 398.456 -0.217 30 20 GBED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3n(n1)CCCNC3=O)C2 1801989476 AGJCWPJNKRBUCR-CLLJXQQHSA-N 399.407 -0.644 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@H]2CCNC(=O)C2)[C@@H]1c1cccnc1 1813137340 WWNAGYBNOFAPJJ-OHNRDTAOSA-N 398.419 -0.298 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830055637 BILTZYAJCHGPHJ-UGSOOPFHSA-N 395.460 -0.561 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCC)C2)C1 1831403240 ZGPFDKHQMBNJCT-QFBILLFUSA-N 382.457 -0.092 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC=CC[C@@H]1C(=O)OC)CCO2 1840143012 GYXFDVXMMQUYPB-GUXCAODWSA-N 390.436 -0.169 30 20 GBED CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840160347 FGBRCYOMAYZGBD-DYVFJYSZSA-N 387.502 -0.467 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 268720050 IEIQICNREMGQRG-IAQYHMDHSA-N 385.467 -0.082 30 20 GBED C=CCCOCCNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 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COC[C@@](C)(C#N)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 821680145 AHBBWWYIASVQIP-ZUZCIYMTSA-N 393.429 -0.422 30 20 GBED C[C@@H]1CC(=NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)NO1 824885352 SDCHXFCWKHUIPZ-RKDXNWHRSA-N 379.402 -0.228 30 20 GBED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 918409250 HZQKORAESXVWRY-UHFFFAOYSA-N 395.441 -0.522 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2OC)c1 946643844 BEUFDBKDNBRLQO-BNEJOLLZSA-N 386.452 -0.262 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@H](OC)C2)nn1 946784493 UCYQKCPHOHMUAT-KYEXWDHISA-N 390.444 -0.856 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)nn1 960336035 WULQXNCEKFJDNJ-HNKHHVNMSA-N 375.429 -0.152 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CN1CCNC(=O)C1 976754270 ODORFFVXXVZBMY-VQHPVUNQSA-N 392.500 -0.057 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C[C@H]2C1 986703560 VBILOELEPBUYFD-CLWVCHIJSA-N 382.482 -0.071 30 20 GBED C=CCCn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 1044233279 WWRWRCPGZAEEBT-WALBABNVSA-N 387.440 -0.419 30 20 GBED C=CCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@@H]31)C2 1068764278 NMWATIGKUNJJGF-QSJFSLAZSA-N 380.441 -0.273 30 20 GBED N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)cc1F 1077669673 GDZXTPDRTFDGME-LVQVYYBASA-N 376.388 -0.608 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(=O)n(C)o1 1109195831 GRVUSDBPFIVHPH-WOPDTQHZSA-N 377.401 -0.675 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](C1CC1)N1CCOCC1 1110129291 ZFJMOTJMQNVOCN-MUQADHOPSA-N 375.473 -0.542 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC1(CS(C)(=O)=O)CC1 1110563546 LHCKCKXVBZDDLH-KFWWJZLASA-N 381.498 -0.328 30 20 GBED CN(C[C@H](O)CN(C)c1ccc(C#N)nn1)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1125352672 JNGKZFZJJUZAOU-PWXKEOIMSA-N 375.429 -0.345 30 20 GBED Cn1cc([C@H]2C[S@](=O)CCN2C(=O)CCn2cc(C#N)c(O)nc2=O)cn1 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30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccnn1-c1ccc(C)nn1 1342893538 KFSHAXDTCPGNRR-UHFFFAOYSA-N 378.414 -0.374 30 20 GBED N#Cc1ccc(N2C[C@@H](C(=O)NC[C@@]3(O)CCS(=O)(=O)C3)CC2=O)cc1 1569155413 YRVWVAXTNRANCP-GUYCJALGSA-N 377.422 -0.423 30 20 GBED CN(C)CCCC(=O)N(Cc1cnn[nH]1)C1CCN(CC(=O)NCC#N)CC1 1576751209 CENZFGCJFCLKHI-UHFFFAOYSA-N 390.492 -0.421 30 20 GBED CN(C[C@H](O)CNC(=O)OC(C)(C)C)c1cnc(C#N)c(-c2nn[nH]n2)n1 1579034561 LDNBTVZKYQDHJL-SECBINFHSA-N 375.393 -0.150 30 20 GBED N#Cc1cn(CC(=O)NCc2ccccc2CN2CCOCC2)c(=O)nc1O 1587313334 YKUADDLTUTYLSU-UHFFFAOYSA-N 383.408 -0.031 30 20 GBED C#CCNC(=O)[C@H](C)NC1CCC(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1588353335 OIRSLAAAQVGUGI-XGNXJENSSA-N 384.444 -0.037 30 20 GBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC[C@H]21 1588354045 DWJZFRVSCOWBBB-IUODEOHRSA-N 382.428 -0.519 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)C2CCC(C(=O)O)CC2)CC1 1588484216 UWNPMQGFHYFWOR-UHFFFAOYSA-N 385.486 -0.283 30 20 GBED 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C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC)NC(C)=O)[C@H]2C1 1788776690 GUHVZRHGJNPKQU-FJIDUMEYSA-N 393.484 -0.079 30 20 GBED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(O)O)C[C@@H]32)c1 1790226006 XPBUJRRSAZKAER-WHOFXGATSA-N 377.372 -0.399 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cnnn3)[C@H]2C1 1791683341 WTQVTMIMSMVCPL-YXMSTPNBSA-N 390.444 -0.748 30 20 GBED CS(=O)(=O)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)c1 1794318916 LPXPFXNMOBXWSZ-YWVIFJGQSA-N 392.437 -0.398 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCOCC2)CC1 1795468613 NVHGCOJJOIWUJH-SCAQPMJSSA-N 376.457 -0.398 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)NCC(C)C 1796465373 QTOODTJRPDEOJB-QKPAOTATSA-N 395.500 -0.079 30 20 GBED C[C@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797815223 KYKBMSGTCQTCCN-HXLZKSIXSA-N 396.444 -0.761 30 20 GBED Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)S)c(=O)nc1O 1800990300 NLCGVWMDNRHKQG-NRWUCQMLSA-N 396.469 -0.835 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](N)CN)n[nH]1 1818012796 FABKZBDBQWYGPQ-JSGCOSHPSA-N 390.492 -0.030 30 20 GBED CC(=O)NCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1825245851 APNANQGGWLPMJJ-SNVBAGLBSA-N 378.410 -0.331 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CC)CCO2)C1 1830521988 YZDMQIXIILSUFX-DOXZYTNZSA-N 384.473 -0.213 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnsn3)C2)C1 1831386489 GWYGLQVRIVYSTN-DYVFJYSZSA-N 394.453 -0.354 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)[C@H](C)CC)C2)C1 1831393368 KPGQJJNHGBTDRJ-PDOICOKGSA-N 395.500 -0.146 30 20 GBED Cc1noc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834068614 WWBVLXHSPBCYBN-GOSISDBHSA-N 391.380 -0.551 30 20 GBED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1837479771 RGWFPWBHYNIPJZ-KDOFPFPSSA-N 388.428 -0.353 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncon3)CCO2)C1 1838320315 HUACBMLYFWNYSF-DYVFJYSZSA-N 395.416 -0.060 30 20 GBED NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838753504 AKGJTRDHTLLHTC-UHFFFAOYSA-N 379.413 -0.662 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn(C(C)(C)C)nn1)CCO2 1838760101 JFXPVOJNPYJCKS-SFHVURJKSA-N 375.429 -0.264 30 20 GBED CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840159041 VSWYJDPDOBNKQZ-LJTORXTESA-N 386.470 -0.120 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCOC2)CCO3)c1 1840537494 CMEKVCMNHSJNAV-DNVCBOLYSA-N 388.424 -0.007 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(N)=O)C3)C2)CCC1 1840816367 OYWXMQPYIFADIR-SFHVURJKSA-N 378.429 -0.598 30 20 GBED CCS(=O)(=O)CC(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842919067 RSSKAYCCSMRFSQ-UHFFFAOYSA-N 384.502 -0.094 30 20 GBED Nc1n[nH]c(CCC(=O)N2CCCC23CN(C(=O)/C=N/N2CCCCC2)C3)n1 1844183473 AJEVEFVFZIJSIB-RGVLZGJSSA-N 388.476 -0.005 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 15406809 JZJGOBKNECDOKU-UHFFFAOYSA-N 380.426 -0.041 30 20 GBED CCc1nn(CCn2cnc3c2c(=O)n(C)c(=O)n3C)c(=O)c(C#N)c1CC 110148006 CXCUWMNHVIWZHP-UHFFFAOYSA-N 383.412 -0.313 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1CCOC 255891739 GWYKFSWMZAIETI-UHFFFAOYSA-N 379.463 -0.125 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCC(=O)N1CCOCC1 268746536 HXBJGZDFSNGIQO-ZDUSSCGKSA-N 394.453 -0.410 30 20 GBED CC[C@H](/N=C(/O)N(C)[C@H]1CCN(S(C)(=O)=O)C1)C(=O)N1CCOCC1 330162099 ADIRASDQBYAQKF-STQMWFEESA-N 376.479 -0.497 30 20 GBED CC(C)N1C[C@@H](/N=C(/O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1=O 330243184 JOXUTLICEZUWCX-HNNXBMFYSA-N 381.477 -0.614 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]1CO 349466855 GPJAXKLXSAUFFG-CYBMUJFWSA-N 398.466 -0.130 30 20 GBED CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@H]1O 349534334 HTSJPHUPIQQFKX-BZPMIXESSA-N 379.504 -0.179 30 20 GBED COCCO[C@H]1C[C@@H](CO)CN(S(=O)(=O)N(CCC#N)CCOC)C1 410423405 ROTFOIDBFKNSJD-CABCVRRESA-N 379.479 -0.561 30 20 GBED CCOC(=O)c1c(NC(=O)C(=O)N2C[C@@H](O)[C@H](OC)C2)c(C#N)cn1CC 421235522 PEJDVOSVWIKEEO-VXGBXAGGSA-N 378.385 -0.287 30 20 GBED C[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CCS1(=O)=O 429842335 CRAHAXRNHDHAED-NSHDSACASA-N 381.458 0.484 30 20 GBED N#Cc1ccc(NC(=O)CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 436217280 IGOXOXSYZCFXMM-UHFFFAOYSA-N 383.408 -0.210 30 20 GBED C=CCC[C@H](NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)OCC 456627017 MIRBCPJYQDCWKV-LBPRGKRZSA-N 391.428 -0.162 30 20 GBED CCN1CCCN(C(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 459917076 GLUKQGODYFRJSD-UHFFFAOYSA-N 387.488 -0.197 30 20 GBED N#Cc1cccc(CCNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)c1 467778647 XQRLRFMFPYNXCW-UHFFFAOYSA-N 376.394 -0.113 30 20 GBED C[C@H]1CN(Cc2ccccc2NC(=O)C(=O)NCC(=O)NCC#N)C[C@H](C)O1 508965384 FMKAJWWOFMNEFL-KBPBESRZSA-N 387.440 -0.010 30 20 GBED N#CCNC(=O)CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 511037398 YRFHPBVVXHFUGY-UHFFFAOYSA-N 386.455 -0.611 30 20 GBED COC(=O)CN(CC#N)S(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1 525476558 KCBJTOVVUKAWJD-UHFFFAOYSA-N 384.366 -0.053 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](C)Cn3cccn3)CC2)c1C#N 551506761 FUNHPEZAOIVHFC-CQSZACIVSA-N 398.471 -0.102 30 20 GBED CN1CC[C@@H]2CN(S(=O)(=O)CCCCS(=O)(=O)NC(C)(C)C#N)C[C@@H]21 564226555 AWSWPUKGINFUSB-KGLIPLIRSA-N 392.547 -0.046 30 20 GBED C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 571779056 FXSQMRCDXMLYPZ-AWEZNQCLSA-N 387.448 -0.307 30 20 GBED CN(C)S(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 588956836 LKHNTTBROSPGJY-UHFFFAOYSA-N 387.487 -0.849 30 20 GBED COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 592326491 ZFYLWQUKPHKVIJ-GXTWGEPZSA-N 398.379 -0.540 30 20 GBED COC(=O)[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccnn1C 592892908 WFIZRJQDEUGKSZ-OAHLLOKOSA-N 391.409 -0.399 30 20 GBED CSCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(N)=O 600257438 MHOCUAMMRWYSMA-GWCFXTLKSA-N 384.483 -0.052 30 20 GBED CN1C(=O)C(=O)N(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1=O 609581397 UXHYGJHIZFNFIB-CQSZACIVSA-N 387.371 -0.045 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC(=O)[C@@H]2c2cccc(C)c2)C1=O 620355714 JMIOIOIIDBGGHH-HNNXBMFYSA-N 384.392 -0.029 30 20 GBED CN1CCN(c2ncc(C=NNc3ccc(S(N)(=O)=O)cn3)cn2)CC1 755636741 VKCNTUNZKHIEIC-UHFFFAOYSA-N 376.446 -0.283 30 20 GBED C[C@H](CC(=O)NC[C@@H](C)S(N)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 768607067 WXVSMANOEXOXSW-NXEZZACHSA-N 388.471 -0.703 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](C3(C)OCCO3)C2)c1=O 784035214 CSGQRIRBJCPTMN-OAHLLOKOSA-N 392.456 -0.024 30 20 GBED CN(C)c1c(C=NN=C2NS(=O)(=O)c3ccccc32)c(=O)n(C)c(=O)n1C 807963193 XPSMUJLGISYICA-UHFFFAOYSA-N 390.425 -0.777 30 20 GBED C=C[C@@H](O)C(=O)OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 814548322 SMVXVDLCLLZIIS-CZUORRHYSA-N 390.392 -0.413 30 20 GBED C=CCNC(=O)CNC(=O)CCc1c(C)nc2c(-c3nn[nH]n3)cnn2c1C 823919485 HSGSMEGLFDPEJA-UHFFFAOYSA-N 383.416 -0.123 30 20 GBED Cc1cc(-c2nn[nH]n2)ccc1C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 826243338 DRLWTOLJAODHCH-ZDUSSCGKSA-N 388.409 -0.245 30 20 GBED COCCN(CC#N)CC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O 839086756 GNGMNOYUMWEDDL-GOSISDBHSA-N 389.412 -0.035 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CO)C2CC2)cc1 848638725 KHXDVPVWTRHNSS-OAHLLOKOSA-N 398.466 -0.226 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H]1CO 848956360 PSLZKSQEXCEMAO-AWEZNQCLSA-N 397.478 -0.021 30 20 GBED Cn1c(=O)c2cc(C(=O)OCC(=O)N[C@@](C)(C#N)C3CC3)n(C)c2n(C)c1=O 920605297 HWPNJIAQVWCBPD-SFHVURJKSA-N 387.396 -0.459 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)C[C@H]1OC 946822290 ONQPIGTYNRAZIC-RUZUBIRVSA-N 392.412 -0.967 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@@H]1O 964476965 ROLXQXQFJRHVOK-ATGSNQNLSA-N 386.412 -0.593 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 969236371 QOADVRORSIHXHU-XRGAULLZSA-N 390.440 -0.593 30 20 GBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 1006253054 PNGSKMOTRIVFEJ-UHDSXZAQSA-N 382.420 -0.043 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@@H]1n1ccnn1 1069929513 HHZQRAPJGNHKSC-NCOADZHNSA-N 386.460 -0.071 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1CCN(C(N)=O)CC1 1111372882 MDCZYNYLCFJKOS-MIGQKNRLSA-N 375.473 -0.364 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O 1117587494 VRGLQBWPJZYFOZ-JTQLQIEISA-N 399.391 -0.675 30 20 GBED C=C(C)CN(CC)C(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1117822856 OVXNVHNCFKHPSE-UHFFFAOYSA-N 378.429 -0.769 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCn2c(nnc2C(C)(C)C)C1 1118711071 IPGSVSABTNMVJL-UHFFFAOYSA-N 383.474 -0.365 30 20 GBED C#CCN1CCN(c2nnc(CNS(=O)(=O)CC)n2C[C@@H]2CCOC2)CC1 1123235975 JTFNZDCDMGMYNG-HNNXBMFYSA-N 396.517 -0.491 30 20 GBED C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1C 1215184786 SXPBWFJBAAFRRY-ZTFQOWAKSA-N 376.457 -0.142 30 20 GBED C#CCN1CCN(c2nnc(C3CCN(CCS(N)(=O)=O)CC3)n2C)CC1 1263488237 DGAXLCLJCZGFCB-UHFFFAOYSA-N 395.533 -0.962 30 20 GBED C#CCOCCNC(=O)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 1323262918 VKALTAOPIFQCBT-UHFFFAOYSA-N 387.440 -0.835 30 20 GBED CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@@H]1OC 1323808691 RGERGJVSHBUVPB-UXLLHSPISA-N 387.440 -0.090 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N(C)[C@H]2CCN(C3CCN(C)CC3)C2)nn1 1326251093 ROWJOOOCRKCBDR-KRWDZBQOSA-N 389.504 -0.293 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC2(CC1)[C@@H](OCC)C[C@H]2O 1329802983 VCXQIWBUWAYEID-KGLIPLIRSA-N 388.486 -0.518 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCO[C@H](COC)C1 1340358327 HFHHGQCTHIFMAW-LBPRGKRZSA-N 376.417 -0.620 30 20 GBED N#C[C@@H](C(=O)c1ccc(Cn2ccnn2)cc1)C(=O)N1CCS(=O)(=O)CC1 1343500979 MOWWLVRFEHFCDZ-HNNXBMFYSA-N 387.421 -0.094 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)C1 1353828497 YIQUAMZVKGDDGY-MAUKXSAKSA-N 381.452 -0.637 30 20 GBED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC(O)(CC#N)C1 1567758174 YIUBKFJSVDIRAH-NSHDSACASA-N 375.447 -0.199 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573285509 IOEYZWMARQCLRZ-ZFWWWQNUSA-N 382.428 -0.377 30 20 GBED C=CCn1cc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)nn1 1573351317 QMVMWIPIRIIQSM-VXGBXAGGSA-N 395.431 -0.064 30 20 GBED C#CCCCC(=O)NC[C@]1(C)CN(C(=O)CC(=O)NCc2cnn[nH]2)CCO1 1574866147 BBWQUDMLLHAYDQ-GOSISDBHSA-N 390.444 -0.652 30 20 GBED C#CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)C1CCN(Cc2cnn[nH]2)CC1 1574986170 UHJIOHYTOOTCFR-UONOGXRCSA-N 375.477 -0.751 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H]2CCCN(CC(=O)NCc3cnn[nH]3)C2)nc1 1575022966 WUTQKTJVCDSBAG-HNNXBMFYSA-N 381.440 -0.061 30 20 GBED C=CCCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H](C)OCc3cnn[nH]3)C2)nn1 1575100157 LXKGCMOWJFKEOR-JHJVBQTASA-N 388.432 -0.045 30 20 GBED C=C[C@](C)(O)CC(=O)N1CCC(O)(CN=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1588499541 JSFXKSNYNNRUMI-INIZCTEOSA-N 388.432 -0.829 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)NCC(=O)N(C)CC 1588638418 CCHALVZKIBZTCK-UHFFFAOYSA-N 385.428 -0.024 30 20 GBED C=CCNC(=O)CN[C@]1(CO)CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588659439 LROHSPSVEKLTAJ-QGZVFWFLSA-N 388.432 -0.946 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(-c3nn[nH]n3)cn2)cc1 1592696381 CMZQLDPYHZCTBG-UHFFFAOYSA-N 398.408 -0.272 30 20 GBED COC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@H]1N2C(=O)CCN/C(O)=C1\N=CC=CC1=O 1610164647 PXTYGCXUBNVMRO-CGALGANJSA-N 391.380 -0.234 30 20 GBED Cc1cn(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)S)C3)C2)c(=O)nc1O 1783899972 ITIQJIAHPFASLG-SJCJKPOMSA-N 396.469 -0.594 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)C(C)C)[C@H]2C1 1784180253 QOPKLVGERYCDQS-DRGZHYIVSA-N 393.484 -0.159 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(C)c1)C2 1792485819 RVSLWCLRNKUJFH-FKJOCPDWSA-N 387.440 -0.518 30 20 GBED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2 1793317265 AHJLIYAMPLWVAA-NWBUJAPZSA-N 393.531 -0.778 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(C)=O 1797964268 PNCDAZOOLIZXML-RDDKANTKSA-N 397.472 -0.682 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2 1799389513 NVJYVOBJXRGBJL-JGFGOLAASA-N 394.472 -0.097 30 20 GBED CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)ON=C(C)C)C(=O)O 1799393427 FTOGHEJEHUJPKP-JAAXMTQOSA-N 398.460 -0.560 30 20 GBED COC(=O)NCC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812883041 URKTVDRAVYHSHI-GUYCJALGSA-N 388.380 -0.469 30 20 GBED CN(C)c1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)o1 1834760934 WMOXIHQYKGIQTD-KRWDZBQOSA-N 377.401 -0.276 30 20 GBED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834761115 QKORDYOJXHRFRX-WMLDXEAASA-N 376.417 -0.716 30 20 GBED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835339317 METSEJDDUZUDKO-DNVCBOLYSA-N 392.456 -0.339 30 20 GBED C[C@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838734816 LZVUUNJXRSLPSN-FZKQIMNGSA-N 375.429 -0.449 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cc[nH]n4)C3)C2)c1 1838740209 HQGZDMUKQZLMDU-IBGZPJMESA-N 398.423 -0.078 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1839224767 OMRPZUFQAUZUBQ-BXWFABGCSA-N 394.472 -0.228 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839371296 NVMKBIRUBYAFIE-GOSISDBHSA-N 391.380 -0.213 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=S)NCC)C2)C1 1840175649 WMLDZOBDJUVBOJ-KRWDZBQOSA-N 384.502 -0.497 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O 1848132058 VVIUPKUEMBBPJS-CYDGBPFRSA-N 378.429 -0.641 30 20 GBED CCc1nsc(N2CCN(/C(=N\C)NC[C@@H]3CN4CCN3CC4)CC2)n1 261839737 WKGBENKIBZDOOG-CQSZACIVSA-N 378.550 -0.202 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1=O 281465519 SXMAIRVBSAIXTM-IAGOWNOFSA-N 392.500 -0.055 30 20 GBED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCC#CCO)c1 283192793 HZHRPWAZDQHAJC-UHFFFAOYSA-N 381.454 -0.501 30 20 GBED C#CCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 283621821 NUMFBZKODQORML-UHFFFAOYSA-N 378.454 -0.347 30 20 GBED C#CCNc1nc(N2C[C@H](OC)[C@H](OC)C2)nc(N2C[C@H](OC)[C@H](OC)C2)n1 287525709 AXRLFTMNYZWIPH-NMWPEEMBSA-N 392.460 -0.383 30 20 GBED C=C[C@H](CO)NC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 290841870 BVXQTGXSVASSIE-OAHLLOKOSA-N 382.486 -0.031 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(/C(O)=N/CCCN2CCCCC2=O)CC1 330657252 RHGXBKAORVQLAL-UHFFFAOYSA-N 381.477 -0.028 30 20 GBED CSc1n[nH]c(NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)n1 349478860 STALWBHEKMAGOE-UHFFFAOYSA-N 394.504 -0.166 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)CCO1 410126716 CXVCCJBHLTZZEP-YPMHNXCESA-N 385.398 -0.786 30 20 GBED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NC[C@@H]3CNC(=O)C3)CC2)cc1 422505700 UJOBJVBFUTYFAV-KRWDZBQOSA-N 383.452 -0.155 30 20 GBED Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(CCS(N)(=O)=O)CC1 431752797 TYSXVSURNNXWAD-UHFFFAOYSA-N 379.442 -0.762 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 463800723 PTSMQKJPXYVGKF-UHFFFAOYSA-N 386.368 -0.589 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 519768351 HUKLEVORTQKIPZ-HPCHECBXSA-N 391.515 -0.371 30 20 GBED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)nc1 531884211 YBLNFTOZCNDAPJ-UHFFFAOYSA-N 397.460 -0.776 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)cc1 534352651 JHULAPMIVURUET-KRWDZBQOSA-N 397.453 -0.301 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cnn(CC(N)=O)c3)CC2)c(F)c1 549384899 KMQFAIKKHUVTHM-UHFFFAOYSA-N 399.386 -0.334 30 20 GBED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@@H](O)COCC2CC2)n1 568070664 BKBHQWOZZWIWFK-CYBMUJFWSA-N 384.396 -0.019 30 20 GBED C[C@]1(O)C[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)N(CC#N)CC#N)cc2)C1 568646024 AFYAONVRWAFECN-JNSHFYNHSA-N 398.466 -0.084 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@]1(O)CCOC1 582857457 QOYRMSOSBPXBEJ-FZMZJTMJSA-N 389.455 -0.693 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 589397915 IIMXGULGVHGKKB-IAGOWNOFSA-N 392.481 -0.106 30 20 GBED COC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C#N)C(C)C)cc1 594538952 DYHRQZGQSHVBOJ-CYBMUJFWSA-N 389.455 -0.036 30 20 GBED N#Cc1ccc(NCC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)nc1 597562325 KUCKSYLOAJXESF-UHFFFAOYSA-N 375.414 -0.379 30 20 GBED CC#CC[C@H](CO)NC(=O)[C@@H]1CC(=O)C[C@H](C)[C@H]1C(=O)N[C@@H](CO)CC#CC 649181914 LKAYYAWEVXAFOJ-LHXSAFEUSA-N 390.480 -0.001 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC(=O)NCc2ccco2)C1=O 726043827 SCXFQSRLZXFHFX-UHFFFAOYSA-N 392.324 -0.875 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)CCC)CC1 728531319 HGVYENOHHKHHJT-INIZCTEOSA-N 398.529 -0.526 30 20 GBED C[C@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C)CC1 733977884 UDPODNYBLHYRRY-CQSZACIVSA-N 393.513 -0.133 30 20 GBED CCN(C[C@H](C)C#N)C(=O)COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745479209 RXZSULWHKCIBOG-ZQGUGBBBSA-N 377.397 -0.300 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C3CCOCC3)CC2)c1=O 747465890 FSTDUBQHMIWJHQ-UHFFFAOYSA-N 391.472 -0.702 30 20 GBED C#CCNC(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O 748767241 VWOBBKAFIFDRTP-IINYFYTJSA-N 388.829 -0.340 30 20 GBED C#CCN1CCN(C(=O)CN2CC[S@](=O)C[C@H]2c2cnn(CC)c2)CC1 753810303 IWQWJRPPPVZVGO-QLXKLKPCSA-N 377.514 -0.214 30 20 GBED Cc1nn2c(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)c(C)nc2s1 765582978 DBCJUAVDJZTWEM-UHFFFAOYSA-N 397.442 -0.883 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 785157073 LUXTYYLQZAOOJB-UHFFFAOYSA-N 379.438 -0.408 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)CC2(C(=O)OC)CCCC2)CC1 809815022 LIIHGAJVDIEYHO-UHFFFAOYSA-N 385.486 -0.583 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 821038791 OJEFXCLKSFXOOY-CYBMUJFWSA-N 397.453 -0.440 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2C(=O)O)CC1 825618518 CQXGIYLRKSZOSV-UHFFFAOYSA-N 379.438 -0.418 30 20 GBED C[C@@H](Oc1ccc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)cc1)C(=O)O 827890613 VSPIELFGDQNYIF-SNVBAGLBSA-N 398.400 -0.726 30 20 GBED C/N=C(/NCCN1CCOCC1)NCC1CCN(S(=O)(=O)C(F)F)CC1 849100187 BJMRXQJQBZRUHH-UHFFFAOYSA-N 397.492 -0.252 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C)nn1 959645514 WNTSLXKUMJFAIZ-MHDGFBEUSA-N 376.417 -0.926 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2CC(=O)NC2=O)cn1 1005107019 FEFCPQTXXZFWHJ-KFWWJZLASA-N 381.392 -0.524 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2nnnc2C(C)C)C1 1023903566 WQCLUHHWRQCMFX-TUVASFSCSA-N 392.460 -0.534 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc2c(=O)[nH]c(C)cn2n1 1110857670 MKIUHHKSKVTGDS-NFAWXSAZSA-N 382.424 -0.584 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCCN(C)C 1111277308 LHCYNSXQCGLIMI-KFWWJZLASA-N 381.477 -0.702 30 20 GBED C#CCN1CCC[C@H]1c1nnc(N2CCN(C(=O)COC)CC2)n1CCOC 1122401681 RJWOZOQLQDIQNH-INIZCTEOSA-N 390.488 -0.010 30 20 GBED C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O 1317692191 YPKOUKVAXDCXST-CXAGYDPISA-N 390.421 -0.371 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 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C=CCN1CC[C@H](N2CC[C@](O)(CNC(=O)CCCCc3cnn[nH]3)C2)C1=O 1575105062 ZUQHJCAZBUJCBJ-LPHOPBHVSA-N 390.488 -0.143 30 20 GBED CN(C)S(=O)(=O)C[C@@H](Nc1cnc(-c2nn[nH]n2)c(C#N)n1)C(F)(F)F 1578996440 NXBBLSKIYLSAKS-SSDOTTSWSA-N 391.339 -0.237 30 20 GBED CS(=O)(=O)NCC[C@H]1CCCCN1c1cnc(-c2nn[nH]n2)c(C#N)n1 1580167529 GXQMDRFBMMDMGR-SNVBAGLBSA-N 377.434 -0.173 30 20 GBED C#CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588353357 PLANVRPIKRIDOC-JHJVBQTASA-N 384.444 -0.370 30 20 GBED C=CCOCC(=O)N[C@@H]1CCN(c2ncc(-c3nn[nH]n3)cc2F)C[C@@H]1O 1588674044 HJALJYXTVKMILH-OLZOCXBDSA-N 377.380 -0.341 30 20 GBED CC(C)C#CC(=O)N1CCOC2(C1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 1589384236 DFJSNOLKOJNWEJ-UHFFFAOYSA-N 383.412 -0.092 30 20 GBED CCCN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@H]1CCN(CC(=O)NCC#N)C1 1590618617 YKGOMFQGJKSIDQ-ZDUSSCGKSA-N 385.432 -0.239 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCc3cc(-c4nn[nH]n4)ccc32)CCO1 1592672110 XNCCXXNETDNSTF-OCCSQVGLSA-N 375.414 -0.087 30 20 GBED 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30 20 GBED C=CCn1cc(C(=O)NC[C@@H]2CN(C(=O)c3cn(CC=C)nn3)CCN2C)nn1 652497762 GRJZRXIPXPNCNC-CQSZACIVSA-N 399.459 -0.572 30 20 GBED N#Cc1cccc(S(=O)(=O)NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 744014130 NFRHNLINZNXQBQ-UXOAXIEHSA-N 389.389 -0.474 30 20 GBED C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCNC1=O 767638499 TUSLUSCXNBVVFK-MNOVXSKESA-N 394.409 -0.291 30 20 GBED C[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 783398208 ZCZWADPWNDHODZ-SMDDNHRTSA-N 393.421 -0.477 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](Cc2ccc(F)cc2)C(N)=O)C1=O 785283151 KOWHCEJCMSSUQK-LBPRGKRZSA-N 377.328 -0.258 30 20 GBED Cc1nc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)cn1C 787682806 VERIZPWTRZNEHH-JTQLQIEISA-N 383.430 -0.499 30 20 GBED C#C[C@@H](NC(=O)C(=O)NC1CCN(C2CCN(C)CC2)CC1)[C@@H]1CCCO1 804009671 XQHWNIFCEIRWHP-MSOLQXFVSA-N 376.501 -0.042 30 20 GBED CC#CCS(=O)(=O)NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 810778974 SYFMUWIFZVZNTB-UHFFFAOYSA-N 386.451 -0.210 30 20 GBED C#Cc1cccc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 817843103 PEWMLTZAWVORNZ-UHFFFAOYSA-N 398.463 -0.713 30 20 GBED C#CC[C@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OC 839799349 KAPQCAJDNJBXCC-ZDUSSCGKSA-N 396.421 -0.193 30 20 GBED C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc(N(C)C)ncn1 848961322 URIMLDFLUDVPPG-LBPRGKRZSA-N 389.503 -0.042 30 20 GBED CCOC(=O)CON=C(C(=O)N1CC[C@H](N2CCOC2=O)C1)c1cc[nH]n1 855503488 PDXZPJGPTUHGTP-NSHDSACASA-N 379.373 -0.253 30 20 GBED CC(C)(C)OC(=O)N1CCOC[C@@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 859338983 ZGGKFNHSFWRROR-QWHCGFSZSA-N 390.462 -0.319 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1O 1023942153 NAZXJCSBBZZESY-DCDXPUDHSA-N 376.413 -0.442 30 20 GBED C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)CC1 1024379068 FZQPHMONKGLPKB-JOCBIADPSA-N 385.468 -0.454 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CCS(=O)(=O)CC2)C1 1025752233 VHBAKQVLWBDXOI-TUVASFSCSA-N 386.470 -0.910 30 20 GBED C#CCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)n1 1070587694 CUEVOURCZQLQLL-RZLSGREXSA-N 375.429 -0.521 30 20 GBED C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)CN1C(=O)CCC1=O 1110181281 ANXAGBFHDFMDDY-UGUYLWEFSA-N 379.457 -0.190 30 20 GBED C#CCN1CCN(c2nnc([C@@H]3SCCNC3=O)n2C[C@@H]2CCOC2)CC1 1123049316 HBVCBNNAOUQRAQ-GJZGRUSLSA-N 390.513 -0.026 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1n1ccnn1 1128993530 CLZQCRYTXIOLRZ-WCVJEAGWSA-N 387.444 -0.759 30 20 GBED CN(C)C(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 1323963501 HPEJWDLLDGLGOY-KRWDZBQOSA-N 383.452 -0.106 30 20 GBED CCn1nc(C)c(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)n1 1325976061 ZQNDTNNUUVRUEG-UHFFFAOYSA-N 382.428 -0.162 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CC(=O)NC[C@@H]2c2ccccc2)CCN1C1CC1 1356396475 JYURSCZERVOLAF-DLBZAZTESA-N 381.436 -0.115 30 20 GBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1O 1573337004 SPAPSYYZXNOCRY-GDLCADMTSA-N 389.416 -0.523 30 20 GBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c(C#N)cn1 1580974155 OPOVTKABOGQEQM-UKRRQHHQSA-N 379.384 -0.251 30 20 GBED C#CCNC(=O)[C@H](C)N[C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1588352937 ATMMUNMXKICWQP-AVGNSLFASA-N 384.444 -0.037 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cccc(-c3nn[nH]n3)c2)C1=O 1588654249 BYJAPSZABWNFLQ-CQSZACIVSA-N 383.412 -0.272 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@]3(CC(C(=O)O)=NO3)C2)c1 1608218637 UGKKYRLLXITRBO-INIZCTEOSA-N 392.393 -0.331 30 20 GBED Cc1c(C#N)c(=O)n(CC(=O)NC[C@H]2CN(CC(C)C)CCO2)c(=O)n1C 1644133706 IMDIXWPENDSTNG-AWEZNQCLSA-N 377.445 -0.800 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(CO)o2)C1 1779713527 VCLYIQAUQHRAOK-DNVCBOLYSA-N 390.392 -0.013 30 20 GBED COCCn1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n1 1783561885 NZCIOZOXMHKZPH-SFHVURJKSA-N 390.396 -0.939 30 20 GBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1783919641 GLIPKSJOVZPJJS-VQIMIIECSA-N 389.456 -0.137 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccc4nc[nH]c34)C[C@@H]21 1791075741 ULSBIWDAINGNHN-OBJOEFQTSA-N 397.391 -0.361 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1cccn1C)C2 1793347056 WSULICDUAKZCTG-PNBKFKSVSA-N 387.436 -0.164 30 20 GBED C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 1793579044 FJZGZFRPBXYBDN-HPCHECBXSA-N 378.429 -0.186 30 20 GBED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O 1793764278 MDLOBUBEGTZUBZ-JFILPPLUSA-N 378.429 -0.660 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCNC(=O)C2)C3)c1 1798695253 WOKOUXSJEDEZCP-ZJOBFFGXSA-N 385.424 -0.384 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C(=O)C(=O)O 1801329191 RXMCGSVNEJTSHM-CRWXNKLISA-N 395.456 -0.259 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)C(O)O)[C@H]1c1cccnc1 1802917620 WRJCLFWKOXABTN-LSDHHAIUSA-N 389.456 -0.320 30 20 GBED N#CCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813173094 SBMQWUXFIGJAQC-IFXJQAMLSA-N 381.392 -0.074 30 20 GBED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)CSCC(=O)O)sc2C1 1826119279 QZVVQSYGQFXLFS-QMMMGPOBSA-N 397.434 -0.039 30 20 GBED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)n(C)n1 1833442783 QNNRTFYFQISRFC-GOSISDBHSA-N 391.428 -0.198 30 20 GBED CS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1 1834604594 CIFDZDFKNQECPA-UHFFFAOYSA-N 384.502 -0.094 30 20 GBED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)nn1C 1835359093 XFYVEUIFCHZILC-GOSISDBHSA-N 391.428 -0.198 30 20 GBED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)C3CC(O)C3)CC2)CC1 1836683406 BHNYEVHYDGQYOA-UHFFFAOYSA-N 378.425 -0.156 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837255990 FBAWFPBIXQHNPO-WHXUGTBJSA-N 389.452 -0.309 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccoc3)C2)C1 1840040994 KCEDJFBYTPDGFM-VQSDEBNRSA-N 388.376 -0.163 30 20 GBED Cc1occc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041606 XBQDHGYPCLWMEF-SFHVURJKSA-N 376.365 -0.254 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1840041903 OMNQYSBCOITKER-IBGZPJMESA-N 387.392 -0.832 30 20 GBED C[C@@H](C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)[C@@H]1SC(=N)NC1=O 1846195382 KBESKQKWXZJDIU-SKDRFNHKSA-N 378.410 -0.920 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CS(=O)(=O)N1CCCC1 1847799839 BCEYHKNUGVQDOI-JYJNAYRXSA-N 397.497 -0.348 30 20 GBED CN(CCCc1n[nH]c(N)c1C#N)CCn1cnc2c1c(=O)n(C)c(=O)n2C 153308978 AOKKCTRLANPLRW-UHFFFAOYSA-N 385.432 -0.825 30 20 GBED CCn1c(=O)/c(=C/c2cc(C#N)n(C)c2)s/c1=C(/C#N)C(=O)NCCOC 189556688 RMFAJUBVARQOHE-VWJASPTNSA-N 385.449 -0.594 30 20 GBED C/N=C(/NC[C@@H]1CCS(=O)(=O)C1)N1CCN(C(=O)[C@H]2CCCN2C)CC1 262344573 DCSRXMHVNUUKPM-LSDHHAIUSA-N 385.534 -0.765 30 20 GBED C/N=C(/NCCN1CCOC(C)(C)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 262604549 ZMUWVWKTSYWCAJ-INIZCTEOSA-N 381.521 -0.004 30 20 GBED C=CCNC(=O)CNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 272284782 UJDPNDYOKKNKGX-UHFFFAOYSA-N 383.426 -0.455 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 281815310 SGPSCPWGXOLJML-QWHCGFSZSA-N 378.462 -0.029 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CC[C@@](COC)(C(=O)OC)C1)c1cc[nH]n1 296747773 BIWXKFKMMVSNJW-HDAKKWKLSA-N 396.400 -0.268 30 20 GBED C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CC1 298185676 VUFDBPQFGRXUFC-MRXNPFEDSA-N 385.468 -0.268 30 20 GBED C/N=C(/O)N[C@@H]1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 329821705 GYGQUSUJPWNTNB-CYBMUJFWSA-N 375.433 -0.289 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@](F)(C#N)C2)nn1C 348338041 DYSZTVWCKDOYDN-LBPRGKRZSA-N 394.454 -0.477 30 20 GBED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 415610991 WVTBNOXYVJNKDI-CQSZACIVSA-N 385.424 -0.072 30 20 GBED C=CCn1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)nn1 424909211 SFLOPMRUKFOLAT-NSHDSACASA-N 381.462 -0.202 30 20 GBED COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)N(C)CCC#N)C1 486624977 CCCMMIBATVTUIR-ZDUSSCGKSA-N 382.508 -0.551 30 20 GBED CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 502335556 VWIVCTYVIAKPSY-UHFFFAOYSA-N 397.482 -0.045 30 20 GBED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C(N)=O)C1 508999909 ICQTVUWLZXLLJJ-CQSZACIVSA-N 381.400 -0.203 30 20 GBED Cn1cc([C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C[C@H]2N)cn1 516293305 HTSXKVRHOQSLBM-JKSUJKDBSA-N 388.453 -0.477 30 20 GBED Cn1c(NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)c(C#N)c(=O)n(C)c1=O 516397489 CFERIGBPAFMXJG-GFCCVEGCSA-N 399.407 -0.308 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 562004116 ILIHXZJJZQXLIM-JSQNDZKTSA-N 389.456 -0.047 30 20 GBED Cc1ccc(C(=O)NC[C@]2(O)CN3CCC2CC3)cc1S(=O)(=O)NCC#N 565547576 BGJJMGQGYCJEDL-SFHVURJKSA-N 392.481 -0.017 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)c1ccc(S(=O)(=O)NCCO)cc1 568251943 CCMSTFZHXBGHPD-LLVKDONJSA-N 391.496 -0.413 30 20 GBED CNC(=O)CCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)C#N)cc1 571821158 NUSPKYHAGAJDQK-NSHDSACASA-N 388.471 -0.366 30 20 GBED CC(C)[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1)C(N)=O 572497564 VQVZWPGMJHXOOQ-CYBMUJFWSA-N 388.471 -0.381 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCn1cccnc1=O 582673133 CQTRLFIWOMWXAZ-CYBMUJFWSA-N 389.437 -0.012 30 20 GBED CN(C)S(=O)(=O)N1CC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 600084405 CQKMUAOSJRDFES-UHFFFAOYSA-N 397.461 -0.945 30 20 GBED C=CCNC(=O)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1 654985248 HNKRNFHFQWGGPX-JSGCOSHPSA-N 385.417 -0.632 30 20 GBED C=C(C)Cn1c(COC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 670199467 OMAAIEFJJSSQKM-UHFFFAOYSA-N 378.477 -0.019 30 20 GBED C#CCCN1CCN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 776593451 XCUWEDNUFJQBGV-UHFFFAOYSA-N 377.533 -0.314 30 20 GBED COC(=O)C[C@@H]1CCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C 794524381 XVZHOCIABJSIAU-UWVGGRQHSA-N 386.430 -0.673 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2cc(Cl)c(F)cc2O)c(=O)n(C)c1=O 814883717 XSCKSTKUHJIGHU-UHFFFAOYSA-N 390.780 -0.106 30 20 GBED Cn1cnc(S(=O)(=O)NCC(=O)O[C@H](C(=O)O)c2ccc(C#N)cc2)c1 833058201 SUYDCELUFCOZFF-AWEZNQCLSA-N 378.366 -0.061 30 20 GBED N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 834489202 KOQBHBBCFPARFO-UGFHNGPFSA-N 393.425 -0.024 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)[C@@H](C)[C@H]1C 848958349 LMESUWBWQJGAAQ-LSDHHAIUSA-N 390.531 -0.481 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCCOC[C@@H]1C 848959059 XDHICBNPOCQAAI-AWEZNQCLSA-N 377.488 -0.394 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2ccccc2OCC(=O)N(C)C)CC1 895915870 NINDRMOKNKCWMQ-UHFFFAOYSA-N 394.497 -0.261 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 898141007 VWSFRKWYURHGHL-QZTJIDSGSA-N 394.516 -0.556 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3CCCC3=O)CC2)o1 915383711 OOLSUOGEYKLDKM-UHFFFAOYSA-N 375.385 -0.331 30 20 GBED C[C@@]1(C2CC2)NC(=O)N(CC(=O)OCC(=O)N(CCC#N)CCC#N)C1=O 916523946 XJJYFWFJERTJFF-KRWDZBQOSA-N 375.385 -0.094 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2c(C)nn(C)c2C)C1 969199252 WTMANSSZJJEXMA-SIXLDLHFSA-N 376.457 -0.142 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCCN2CCNC2=O)C1 1070278175 UFHWUDLFINYUAB-WCVJEAGWSA-N 389.460 -0.764 30 20 GBED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 1092922493 VPBUCOKFTWHEHZ-GHYVTOPFSA-N 378.458 -0.098 30 20 GBED C=CCN(C(=O)COCC(=O)NCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1115999661 FQMNDGLJPCRZEU-OAHLLOKOSA-N 381.454 -0.084 30 20 GBED N#CCN1CCC[C@H](CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 1318920912 XTZPRYBNBVITMD-KGLIPLIRSA-N 395.485 -0.496 30 20 GBED CCS(=O)(=O)N(C)C1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 1319357094 BVNLKFKYTFQYNN-UHFFFAOYSA-N 382.446 -0.382 30 20 GBED C=C[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 1320584214 RFRPIVKKEPCXCN-LLVKDONJSA-N 386.430 -0.405 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCNC(=O)[C@@H]1c1c(C)nc2ccccn12 1329100359 UELFLSQDSUYQFI-INIZCTEOSA-N 383.408 -0.592 30 20 GBED CN(CCCO)C1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1330453663 KQEKJBOWVTWGHK-KRWDZBQOSA-N 377.489 -0.510 30 20 GBED COc1ccc(CNC(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)cc1C#N 1334538944 UJFVLKBAJBHTSM-ZDUSSCGKSA-N 380.426 -0.667 30 20 GBED N#Cc1cccc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CCS(=O)(=O)C3)CCO2)c1 1337881447 UMIMGKGBPGLQDU-CABCVRRESA-N 377.422 -0.239 30 20 GBED C=CCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@@]1(C)CNC(=O)C1 1342026919 SVKMZKPAKGPQLN-GOSISDBHSA-N 375.477 -0.548 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 1342174742 OIWKCNCLCMXVDI-UHFFFAOYSA-N 379.438 -0.030 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCCN2C(=O)COc3ccccc32)C1 1349221419 JZXIMJFNIKECSA-LJQANCHMSA-N 386.408 -0.205 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc(C(=O)NC(C)C)n1CC[S@](=O)CC 1574938434 ZJDTXHXLKVGXDU-HHHXNRCGSA-N 392.489 -0.057 30 20 GBED C#CCNC(=O)CC(=O)N(C)C[C@H]1CCCN(C(=O)CCCc2cnn[nH]2)C1 1575004959 QPGJQJSNADEXAL-OAHLLOKOSA-N 388.472 -0.036 30 20 GBED C#Cc1cncc(C(=O)NC[C@H]2CCN([C@H](C)C(=O)NCc3cnn[nH]3)C2)c1 1575032432 CUIQYIHNNYVSOR-UKRRQHHQSA-N 381.440 -0.062 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@]12COCCN1C(=O)OC2 1581856012 TVPJXICTOWSQMB-RDTXWAMCSA-N 397.395 -0.114 30 20 GBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C(C)(C)C1 1588352925 AKGKRWSZIQSVBO-SMDDNHRTSA-N 384.444 -0.227 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](OC)C1 1588356645 YXPLHWAHTRFTHZ-ZLKJLUDKSA-N 387.400 -0.811 30 20 GBED C#CCOCCC(=O)N[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2F)C[C@H]1O 1588362503 HCYAQONGGPFOGA-CHWSQXEVSA-N 375.364 -0.894 30 20 GBED CCc1nc(-c2nn[nH]n2)cc(N2CC[C@](O)(CNC(=O)C#CC3CC3)C2)n1 1590906180 WHMKPOPMNHYQMO-SFHVURJKSA-N 382.428 -0.310 30 20 GBED CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)O)CC1 1596461634 HRNAUBVTLRJOEX-UHFFFAOYSA-N 380.426 -0.301 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCO1 1741944287 LRZLKQPILWBJTQ-RWMBFGLXSA-N 384.462 -0.204 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1779311701 XOPSMRRJRFOZEG-MAUKXSAKSA-N 399.513 -0.113 30 20 GBED NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1783148224 MXMKDUQIXRFHSG-TYJAPOHBSA-N 379.461 -0.447 30 20 GBED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)C[C@H]4NC(=O)NC4=O)CCO3)C2)CCC1 1785363207 RCTJQXFQIVBJFM-KZULUSFZSA-N 389.412 -0.892 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1793344100 HVEFYDAYVSICRQ-FMSGJZPZSA-N 391.384 -0.441 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 1794592418 ZSCLIXYBKJBYON-AGGWBTHJSA-N 391.428 -0.472 30 20 GBED O=C(Cn1ccnn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1795891420 RRIPPPIJUUNSFS-VJDUQAHASA-N 386.412 -0.420 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn2nccc2c1 1797557410 NVBKKFWTGMARHL-ZSBFGKGUSA-N 382.376 -0.375 30 20 GBED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2 1797783075 BWEIJLHVXLPHQS-ZMMAXQRCSA-N 387.480 -0.197 30 20 GBED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2C[C@H](O)CN2)C3)c1 1798863007 IDMHSMDKGWRTQK-ADHGMGHFSA-N 384.436 -0.516 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C2 1799389809 RZJIBFMLIPDGQW-IPVBOJNNSA-N 382.461 -0.112 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C(=O)O 1800259263 SYKHVESZABVDRX-JJLQDPRZSA-N 399.469 -0.962 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCn1ccnn1)CC2 1825675145 VNNZKNBYUKKERX-JTQLQIEISA-N 388.409 -0.175 30 20 GBED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)n1cncn1 1830064298 IJPYVGFOSDRKNB-KDOFPFPSSA-N 390.444 -0.155 30 20 GBED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831208222 JBEJGOFDWBMFBU-MGPUTAFESA-N 391.468 -0.229 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CC(N)=O)CCO2 1831597914 NDSPAQKCGPLOQO-KSSFIOAISA-N 399.513 -0.127 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3)C2)C1 1840041309 DTNWLRGMRVSSHL-FQEVSTJZSA-N 386.404 -0.227 30 20 GBED Cc1c[nH]cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042740 MVVIPWAVSOIAQX-SFHVURJKSA-N 375.381 -0.519 30 20 GBED Cc1ccn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)n1 1840158202 IVIYQYHNMZMDDS-PBHICJAKSA-N 382.486 -0.034 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840484617 AFGXNROQNIONGI-UGSOOPFHSA-N 395.481 -0.018 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1840841762 UOYVSPHASMJEHM-LJQANCHMSA-N 379.457 -0.812 30 20 GBED C=C(C(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1)C(F)(F)F 1846034644 PFLYFCWWSRILFD-UHFFFAOYSA-N 379.379 -0.405 30 20 GBED C/N=C(/NCc1nnc2n1CCCCC2)N1CCN(C(C)(C)C(N)=O)CC1 261773078 PJWZVXCWLZJLAV-UHFFFAOYSA-N 376.509 -0.039 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)C1=O 269394285 BATMMFPDAREAIU-VIFPVBQESA-N 390.318 -0.367 30 20 GBED COC[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C[C@H](C)O1 298096763 NQEXTWGNALGMLE-HOCLYGCPSA-N 387.440 -0.136 30 20 GBED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cn1cc(S(N)(=O)=O)cn1 299526373 MDZMOPPFUGSDIN-UHFFFAOYSA-N 390.469 -0.007 30 20 GBED Cn1nccc1[C@H]1[C@H](/N=C(/O)N2C[C@@H](O)C[C@H]2CO)CCC(=O)N1C1CC1 329356672 WITLDNGUDXRVHL-SZOQZIPDSA-N 377.445 -0.044 30 20 GBED CC(=O)N1CCN(C(=O)CC/N=C(/O)[C@@H]2COCCN2CC(F)F)CC1 329961691 OVBODSDJQVTPDK-ZDUSSCGKSA-N 376.404 -0.010 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)CC[S@@](=O)C1 349464298 WBLMDSYKJOPUNL-LAJNKCICSA-N 385.533 -0.808 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2CO)n1 349519716 PSFYMUDGBZONAJ-GFCCVEGCSA-N 391.475 -0.790 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CCN3CCOCC3)CC2)C1=O 363639931 RPOFJNVNRZELLG-UHFFFAOYSA-N 392.456 -0.076 30 20 GBED C=CCCS(=O)(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 408334797 CMNSPVLGYRWJGC-OKILXGFUSA-N 381.520 -0.136 30 20 GBED CNC(=O)N[C@H]1CCN(C(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 410666173 YILYEHNGCYXOLQ-KBPBESRZSA-N 386.412 -0.537 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@@H]3CNCCO3)C2)c(F)c1 418856370 OYLULSHBALFYDR-CABCVRRESA-N 389.431 -0.113 30 20 GBED COCCO[C@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 445184063 OYSZDAPERDZFJC-INIZCTEOSA-N 398.423 0.400 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1C 461367203 RARNLALJDPRBTC-UHFFFAOYSA-N 387.461 -0.141 30 20 GBED C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@@H](C(N)=O)O1 516517508 RMYNLFYJMPAACK-MFKMUULPSA-N 383.368 -0.821 30 20 GBED C=CCN1CCC(NC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 517341172 HDHPRCGBKXYMIY-UHFFFAOYSA-N 391.472 -0.360 30 20 GBED CN(CCNC(=O)NCCn1cnc(C#N)n1)S(=O)(=O)c1ccc(F)cc1 554136191 HXCNNPVUEWKVHS-UHFFFAOYSA-N 395.420 -0.091 30 20 GBED COc1cc(C#N)ccc1NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C 568347149 BSQQQNMHLVDPSO-UHFFFAOYSA-N 383.430 -0.546 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)cc1 575182581 GHLNYUMHNPQYOY-CYBMUJFWSA-N 376.394 -0.757 30 20 GBED N#C[C@]1(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCOC1 584353012 KIRIFUYTMIFKPD-MRXNPFEDSA-N 381.410 -0.075 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1 733150176 DOROJHSDAFVOCM-QGZVFWFLSA-N 397.479 -0.286 30 20 GBED C#CCNC(=O)CN1CCN(C[C@@H](O)COc2ccc(C(=O)O)cc2)CC1 736076355 MWYVGOLMEAVAGR-MRXNPFEDSA-N 375.425 -0.509 30 20 GBED COC(=O)[C@H](OC(=O)Cn1cc(S(N)(=O)=O)cn1)c1cccc(C#N)c1 751657255 OSISJEHWPPVTAH-CQSZACIVSA-N 378.366 -0.140 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 758084829 VMOXWQHOUOBNCX-UHFFFAOYSA-N 398.444 -0.313 30 20 GBED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)[C@@H](C#N)C1 800075155 ZWIXPXZGOCZVRZ-STQMWFEESA-N 385.446 -0.100 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)C[S@@](=O)c2cccc(OC)c2)CC1 819238479 GPMPTTICGOXBKY-AREMUKBSSA-N 377.466 -0.304 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1 839528145 ORLJQWJQJRQZIM-UHFFFAOYSA-N 396.469 -0.314 30 20 GBED CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1 854832822 KFUSJRMTGLPCTP-UHFFFAOYSA-N 386.455 -0.006 30 20 GBED CCOC(=O)N1CC[C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 858366366 AXMFLFQXEFUTOM-LLVKDONJSA-N 376.373 -0.382 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 968470404 LDCBYSATIIVHKS-UKMLZYKCSA-N 388.424 -0.537 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 994077207 WRQPNBPMAJLLCV-WVZRYYJFSA-N 392.456 -0.270 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(CCOC)c2)C[C@H]1O 1023939578 HDLNKCHEPVKZOH-HZMVEIRTSA-N 392.456 -0.188 30 20 GBED NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#Cc1ccccc1 1111025197 QSLPZWVCFRXNAN-FQBWVUSXSA-N 394.475 -0.003 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCS(=O)(=O)c3ccccc3C2)C1 1118187391 OMSLZTVAFWSUMF-QGZVFWFLSA-N 377.422 -0.320 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCCn3cncn3)C2=O)cc1 1119129681 YFRDALIUYLBVGI-INIZCTEOSA-N 395.423 -0.427 30 20 GBED C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1nnnn1C 1262648805 RVMZAPGGKFBYFV-ZJUUUORDSA-N 377.430 -0.095 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCC[C@H](C)CO)CC2)c1C#N 1323966565 VXSMUYZWCZEYIS-ZDUSSCGKSA-N 376.461 -0.226 30 20 GBED C=C(C)COCCNC(=O)C(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 1325550317 KFECZDHBIAQVRZ-UHFFFAOYSA-N 375.491 -0.032 30 20 GBED CN(C)C(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OCC#N)cc2)CC1 1326407617 IMFMWOLLZZDTQS-UHFFFAOYSA-N 387.440 -0.562 30 20 GBED CCCS(=O)(=O)NC1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1328427033 WBUJPMBAIHVNOM-MRXNPFEDSA-N 386.474 -0.816 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CCN1C1CC1 1331031863 XTJPTCONMSSTJP-JKSUJKDBSA-N 389.456 -0.919 30 20 GBED N#CC[C@H](C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1)c1ccccc1 1457600145 NOUMDHDGTTYXNI-ULQDDVLXSA-N 377.466 -0.014 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCS(=O)(=O)[C@@H]3COCC[C@H]32)CC1 1473537299 UQTAAQMFIKLYTN-IXDOHACOSA-N 398.529 -0.433 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)Nc1ncc(-c2nn[nH]n2)cc1F 1588351444 UWRKLOWGQKEZGT-OCCSQVGLSA-N 388.407 -0.613 30 20 GBED C#CCN1CCC(C(=O)N[C@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C2)CC1 1588352193 VGQZQLXLGPZHHW-AWEZNQCLSA-N 381.444 -0.303 30 20 GBED C#CCN1CCN(c2nnc(-c3ccc(-c4nn[nH]n4)[nH]3)n2CCOC)CC1 1588353626 ZEEVHYRCRKBTCF-UHFFFAOYSA-N 382.432 -0.145 30 20 GBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC[C@@H]21 1588354349 LFECXHVLAAYMEG-DOMZBBRYSA-N 382.428 -0.519 30 20 GBED C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)nn1 1588712656 AYZCCPLRKXNGOV-NSHDSACASA-N 382.388 -0.383 30 20 GBED C=CCn1cc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)[C@@H]2C)nn1 1588713727 QZTJXAWVGWGBDJ-MNOVXSKESA-N 381.404 -0.169 30 20 GBED CN(C)S(=O)(=O)NCCNC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1591023490 PTWONSVUVUXSOF-ZDUSSCGKSA-N 392.445 -0.939 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCc2ccc(C(=O)O)cc2C1 1602924707 BZCKADGQCLTDHX-UHFFFAOYSA-N 380.422 -0.014 30 20 GBED O=C(COCCO)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1789916921 FONOHPIWEZSNPD-DAOKTODISA-N 393.440 -0.313 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1 1797681756 BBVNRUGGBRLHPR-NDPMZMCLSA-N 378.429 -0.975 30 20 GBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2 1800999119 ARFMXAHVFDXREW-IVSAIRAKSA-N 382.413 -0.353 30 20 GBED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1)C(F)(F)F 1801439098 SAOLGXDHBPLBTR-YFKTTZPYSA-N 388.350 -0.058 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCOC1 1801509718 QZNIRHGBHRRJOY-BUVHPWJSSA-N 377.441 -0.529 30 20 GBED CC(C)[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801731994 APDOHEMBHAUAGD-JYYAWHABSA-N 387.546 -0.134 30 20 GBED CS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1806771014 DFJCMBLDBZIYFN-GUYCJALGSA-N 393.421 -0.780 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)CN2CCCC2=O)[C@H]1c1cccnc1 1812876608 QLSANHHXAYNEAA-QRWLVFNGSA-N 398.419 -0.202 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)CCn2cncn2)[C@@H]1c1cccnc1 1813321902 QCPUDALFEVEYDJ-BEFAXECRSA-N 396.407 -0.143 30 20 GBED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1829847957 ADAABISFRUULBY-YLJYHZDGSA-N 391.468 -0.229 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccco1)CCO2 1833052274 LTTRYUPBRTUYMT-LJQANCHMSA-N 390.392 -0.243 30 20 GBED CC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835673242 ZEKHEEDZQLHMPC-GOSISDBHSA-N 380.445 -0.686 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837254161 UNPXSRWSNPWWRV-YFKXMMLCSA-N 397.497 -0.404 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)OC)C2)C1 1840840481 BPHMSUKRRJADGF-SFHVURJKSA-N 398.481 -0.238 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccc1)CCO2 1840902556 FDWVJOCLZPTLDE-KKSFZXQISA-N 399.447 -0.106 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccnc2)CC1 29820315 NIPLKPPGHTUEFX-CYBMUJFWSA-N 381.458 -0.212 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCOCCS(C)(=O)=O 266756453 YPOHSBUQXGXMLZ-UHFFFAOYSA-N 386.401 -0.046 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCS(=O)(=O)C[C@@H]1C 268865334 SRIBUVSUPVWCIM-RYUDHWBXSA-N 385.467 -0.129 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 281896842 WVBKGNZSIYSJMK-HOTGVXAUSA-N 394.472 -0.320 30 20 GBED CC(C)(C)OC(=O)N1CCN2/C(=N\CCOCCS(C)(=O)=O)NC[C@H]2C1 305040762 VJLAJULWISJCPY-ZDUSSCGKSA-N 390.506 -0.072 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C(C)(C)C(N)=O 349482228 QWCWARXNZXWCCV-JTQLQIEISA-N 388.471 -0.239 30 20 GBED CC(C)(O)[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 349496326 HAVVXFZFHASFPX-GFCCVEGCSA-N 379.504 -0.083 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)CC[C@@H]2C1 349528704 YDQXMODOPKOGND-QWHCGFSZSA-N 392.503 -0.813 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 349529163 YZQKMVIWDQTIQH-AVGNSLFASA-N 392.503 -0.719 30 20 GBED CC(=O)N1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)CC1 349542906 YOMUSUOHFKNVOL-UHFFFAOYSA-N 394.519 -0.566 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 349622328 RAECXQFVJHEPBW-STQMWFEESA-N 392.503 -0.766 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCN1CCN(c2ncccn2)CC1 409571922 BVQKTZGPTQTGDS-HNNXBMFYSA-N 381.506 -0.085 30 20 GBED CCCN1C[C@H](CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1=O 422618585 LVCHQAUERYJTSS-INIZCTEOSA-N 398.467 -0.023 30 20 GBED COC[C@H](C)NC(=O)NC(=O)CN1CCN(c2c(C#N)c(C)nn2C)CC1 472165053 WWMCBJNPVMSWHJ-LBPRGKRZSA-N 377.449 -0.417 30 20 GBED CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)CCO1 588129004 XMLYXBVUKIWONF-AWEZNQCLSA-N 380.445 -0.340 30 20 GBED C[C@H](C[S@](C)=O)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 594627430 ZBDWQJPDTALNSP-UZJPJQLHSA-N 379.485 -0.466 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 597510431 GZRNTTRIJGQSHI-CYBMUJFWSA-N 389.441 0.301 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCS(=O)(=O)C[C@H]2C2CC2)cc1 597722667 GYFFWJHYPPMMPS-HNNXBMFYSA-N 397.478 -0.128 30 20 GBED CN1CCN(c2cc(CNC(=O)C(=O)N3CCN(CCC#N)CC3)ccn2)CC1 602230089 JQOCHAJUYFRUIH-UHFFFAOYSA-N 399.499 -0.493 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCN(C)S(C)(=O)=O 610683461 LHAQVYMRAWYAIO-CYBMUJFWSA-N 395.489 -0.150 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1 748538852 YEPQTWYNLCLMTM-HXUWFJFHSA-N 397.435 -0.752 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)CC1 756825529 YMXUPMUTVOGNFG-OAQYLSRUSA-N 398.463 -0.713 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(C)nn(C)c2C)c1=O 758078071 GXAXWNALWWKRCV-UHFFFAOYSA-N 399.476 -0.841 30 20 GBED C[C@H](CC(=O)N1CCO[C@H](C(=O)O)C1)/N=C1/NS(=O)(=O)c2ccccc21 769521484 HDOKRUIDWHVYMH-PWSUYJOCSA-N 381.410 -0.184 30 20 GBED CC[C@@H](C#N)Oc1cccc(CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c1 781967904 RYONZRVCMUJQHC-AAEUAGOBSA-N 382.442 -0.223 30 20 GBED Cc1nn(C)c(N2CCN(CN3C(=O)NC4(CCOCC4)C3=O)CC2)c1C#N 788044800 NAINJDAUUAWKHX-UHFFFAOYSA-N 387.444 -0.219 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccnc(OC)n2)c1=O 839240864 UMYOCCJNTSQHFX-UHFFFAOYSA-N 397.460 -0.383 30 20 GBED Cn1nnc2c1CC[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)C2 848308956 FQYMIKFQZAKOAL-LLVKDONJSA-N 388.453 -0.083 30 20 GBED C#C[C@H](CO)NC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 854778848 JLSAEMOJVTWASI-LLVKDONJSA-N 384.414 -0.196 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 883563770 XUOOCVVHXZSHFX-INIZCTEOSA-N 388.534 -0.317 30 20 GBED C#Cc1cccc(NC(=O)CNC(=O)CNS(=O)(=O)c2cnn(C)c2)c1 918343923 RTJHJYBNUADQMW-UHFFFAOYSA-N 375.410 -0.565 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(N(C)C)nn2)C1 969110051 JIQVVRRCXQTZPC-GUSZCTEKSA-N 389.456 -0.175 30 20 GBED C=CCn1cccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1025677555 UNECLTYXFLNPOM-REBRKWNGSA-N 376.413 -0.992 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nnn(CC)c2CC)C[C@H]1O 1025710506 SLAXCEASHLAZQA-GBOPCIDUSA-N 377.445 -0.247 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1C[C@@H](C)CC(=O)N1 1057732625 RPDRNLHZPFNDGD-DLTWYDFYSA-N 381.473 -0.181 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1117580267 BXERAONCKCHTGC-CQSZACIVSA-N 399.444 -0.024 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@@H]1n1ccnn1 1129858015 KVFIGICWJBBUNY-ILOCAZANSA-N 382.468 -0.029 30 20 GBED CN1C[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1=O 1322649949 NYBBLKIPYOVXBC-ZFWWWQNUSA-N 383.408 -0.483 30 20 GBED CN(CC(C)(C)C#N)C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 1328336175 GIPRWBKHPUXKJC-UHFFFAOYSA-N 377.445 -0.712 30 20 GBED C=CCn1c(CCOC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1339528771 MTYZJPYJKHZMJP-UHFFFAOYSA-N 392.460 -0.840 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3nnc4n3CCC4)CC2)nc1 1340309974 ZZRQYSLDOOFJJX-UHFFFAOYSA-N 380.412 -0.544 30 20 GBED CN(C[C@H](O)CNC(=O)CCOCc1cnn[nH]1)C(=O)c1ccc(C#N)[nH]1 1576771683 XWLAROYHBPSVHL-CYBMUJFWSA-N 375.389 -0.840 30 20 GBED N#C[C@]1(F)CCN(c2nnc([C@H]3C[C@@H](N)C3)n2CCN2CCCS2(=O)=O)C1 1580040137 FMNMFCOESWDWRF-DVOMOZLQSA-N 397.480 -0.040 30 20 GBED C#CCOCCC(=O)N1C[C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]21 1588358925 CXTNBJSCNBUUAP-IUODEOHRSA-N 383.412 -0.092 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 1593377379 FIJXXILILDVHSS-UMWKZLPKSA-N 383.368 -0.457 30 20 GBED C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCO1 1609018722 DRQIYXLARRULRV-UONOGXRCSA-N 390.425 -0.558 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1778968277 OKPGAFXJNWXPMW-CKFHNAJUSA-N 381.473 -0.099 30 20 GBED O=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)=NN1 1779019108 MGLHGCQIYIITGH-PYJSORCASA-N 390.444 -0.836 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](O)N4CCOCC4)C3)C2)C1 1779085556 WYSBYYRHNYJFAJ-IEBWSBKVSA-N 379.457 -0.567 30 20 GBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1783047440 DDEOHUSQGQJOAE-BUXKBTBVSA-N 386.408 -0.544 30 20 GBED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1783901709 UVKNQKOBLCDXJC-MAUKXSAKSA-N 396.557 -0.085 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@H]2C1 1786674700 NRLLOMPCABADEW-CWVYHPPDSA-N 379.457 -0.164 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCNC4=O)C[C@@H]21 1790792700 XKLANCMOMLVTLA-XEZPLFJOSA-N 385.424 -0.757 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(O)C(F)(F)F 1793689496 JRYJHADWWPAVPY-CQUYNDQOSA-N 392.374 -0.072 30 20 GBED Cn1nncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1794228350 QXZPPMBTCULQCS-VSZVZYARSA-N 389.460 -0.510 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CSc2nc[nH]n2)C3)CC1 1795412261 HPDYAFZTAYVLCO-PTEHBNRSSA-N 376.442 -0.210 30 20 GBED COCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598037 XHPXGWSIOKUXNX-SCAQPMJSSA-N 396.488 -0.479 30 20 GBED N=C1NCCN1CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/N1CCCCC1)C2 1796024861 UARGPCMRBPMFNK-KEBARPIWSA-N 389.504 -0.064 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)N(C)C)C2 1799303846 GESMGVFDRDGQGO-AGGWBTHJSA-N 381.429 -0.826 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C)C1)C2 1799305348 BQCXSTGFEXSUPZ-SCAQPMJSSA-N 379.457 -0.353 30 20 GBED CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1800183551 YSFJNKNNENLNQU-XOIINTDNSA-N 378.498 -0.527 30 20 GBED Cc1nn[nH]c1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1807806702 WPAFOYTZHMLARK-DYVFJYSZSA-N 382.380 -0.084 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccon3)C2)C1 1831391473 OYPLGMIKCXWBCI-RDTXWAMCSA-N 377.397 -0.217 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1834758364 MRUYRUQJAOLBKE-INIZCTEOSA-N 381.820 -0.093 30 20 GBED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O 1847803714 KZJAABUDQSSKDG-IHRRRGAJSA-N 378.429 -0.231 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)OC)c1 25022168 OVOXVLRGFQYBAO-CQSZACIVSA-N 395.437 -0.345 30 20 GBED CN(C)C(=O)C/N=C(/NCC(=O)N(C)C)N1CCN(C(=O)c2ccco2)CC1 262279374 IQRAWIFVHHNYJV-UHFFFAOYSA-N 392.460 -0.841 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 267331732 HTHDCBDIIKZUHG-MRXNPFEDSA-N 393.469 -0.209 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC(=O)N3CCOCC3)C2=O)cc1 277077906 CBNCEJKIODQTNK-MRXNPFEDSA-N 385.424 -0.183 30 20 GBED C=CCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@@H]1CCS(=O)(=O)C1 328799090 GVRMTYMEBXQYNU-LLVKDONJSA-N 392.437 -0.553 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(/C(O)=N/C[C@H](C)CN2CCN(C)CC2)CC1 330971589 HGNOAGJJOJJWJT-INIZCTEOSA-N 396.536 -0.547 30 20 GBED Cn1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@](F)(C#N)C2)n1 348341997 IUNMMVWJHRPXPV-NSHDSACASA-N 380.427 -0.786 30 20 GBED COC1CN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@@H]2C#N)C1 349495810 FVTNLBMSGBXWHK-NSHDSACASA-N 383.517 -0.692 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CO[C@@H](C)C2)c1C#N 349579061 SORTWPLBVXNRTJ-ONGXEEELSA-N 391.475 -0.182 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccn(CC(F)F)n1 446533949 XPOVQHATWHNZMG-UHFFFAOYSA-N 384.387 0.161 30 20 GBED C[C@H](CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)c1nn[nH]n1 478594957 NIGWSJLKRLPZGK-LLVKDONJSA-N 377.430 -0.046 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CC4)C3)CC2)c1C#N 552176688 NVAYNODKXRSGJC-CQSZACIVSA-N 385.472 -0.398 30 20 GBED COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)[C@H](C)n1cnc(C#N)n1 600021088 XJSMYTMWYJCVDO-DCAQKATOSA-N 380.430 -0.320 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 735382329 YPLPEZAUVVPZKN-UHFFFAOYSA-N 399.386 -0.068 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCn1cc(S(N)(=O)=O)cn1 749328073 WXYHCZDJDVMPNR-XHDPSFHLSA-N 385.446 -0.093 30 20 GBED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(C)c2=O)cn1 772274829 ILONUVLHBWJVTI-UHFFFAOYSA-N 398.492 -0.589 30 20 GBED C[S@@](=O)CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 810430396 BVFUCEYHVZMZQI-RUZDIDTESA-N 398.510 -0.641 30 20 GBED CC#CCS(=O)(=O)NC(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O 810774293 GNWHRECEXUQBDX-UHFFFAOYSA-N 377.422 -0.205 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)N2CCN(C)CC2)cc1 811325277 NQKBSRHMIXRXQA-UHFFFAOYSA-N 392.481 -0.556 30 20 GBED C#CCNC(=O)C1CCN(CN2C(=O)N[C@](C)(CCC(=O)OC)C2=O)CC1 811738541 BEBVQEYIFZNQJN-GOSISDBHSA-N 378.429 -0.331 30 20 GBED C#CC[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 816669741 AXHMHMMXKGYZFN-CQSZACIVSA-N 382.438 -0.170 30 20 GBED COCC#CCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 826147494 ZDLFQPGSERGHFJ-LLVKDONJSA-N 379.398 -0.274 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](O)COC)cc1 848941766 HYYDNRJVCUNWLQ-RYUDHWBXSA-N 391.471 -0.447 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc3c2OCCC3)CC1 872515795 WQPGOXUVLXQJKX-UHFFFAOYSA-N 399.494 -0.215 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 875121219 QXANMVGTYBUHLZ-MAUKXSAKSA-N 383.514 -0.145 30 20 GBED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1CCOC 916198718 UQDYJGUOLNZDSJ-UHFFFAOYSA-N 391.449 -0.195 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](C)C1 949470351 RAVRPVSXRIKFII-COMQUAJESA-N 390.444 -0.679 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CCn1cnnn1 960845753 UAWBHJAFNKMHDW-FXUDXRNXSA-N 390.444 -0.517 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)c3cn(C)c(=O)cn3)C[C@@H]21 960977476 JHVWQTVCDRFFEB-SYAUCNOPSA-N 388.424 -0.577 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCNC(=O)C2)cc1 999078455 LBOMFJFAFHRLRA-SQNIBIBYSA-N 380.448 -0.039 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)C[C@H]2O)nn1 1023768845 FAOGLDXNCWOIEY-KLZNWCGWSA-N 389.456 -0.172 30 20 GBED CN1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2O)CC1 1023951523 RHVSUBXXUICENZ-MLYOOKFZSA-N 389.496 -0.165 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1O 1023958098 HWEIXOXYTYOHMR-LPWJVIDDSA-N 377.397 -0.339 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCc2nnn(C)n2)C1 1070294527 XRIJRDDSIPTDJX-FQLMCAECSA-N 387.448 -0.676 30 20 GBED CC(C)(C)N1C[C@@H](CNC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1=O 1119084540 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396.451 -0.562 30 20 GBED C#CCSCCNC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 1327313940 WGWKZDLTGDOBHY-UHFFFAOYSA-N 380.470 -0.160 30 20 GBED CCN(C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@H]1CCNC1=O 1339900694 GCGJTZJOTRTQIT-AWEZNQCLSA-N 381.396 -0.126 30 20 GBED N#Cc1cn(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nn1 1459114154 PJIQFIWRTDLHPZ-UHFFFAOYSA-N 376.398 -0.191 30 20 GBED C#CCNC(=O)CN1CCC([C@H](C)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1573284976 BGRRPSVXAXETOP-LBPRGKRZSA-N 384.444 -0.226 30 20 GBED C=CCOCC(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCOCC1 1573342959 HOZBWCYXECIQRA-UHFFFAOYSA-N 389.416 -0.207 30 20 GBED N#Cc1cc(C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@H]2O)c[nH]1 1581864526 ACHHXLDDHRLHQE-CHWSQXEVSA-N 383.347 -0.420 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1nc(C)ccc1-c1nn[nH]n1 1588351187 ILQYUAIBQLMNON-ZFWWWQNUSA-N 384.444 -0.443 30 20 GBED C#CCN(C(=O)C(=O)Nc1ccc(CC(=O)O)cc1)[C@@H]1CCS(=O)(=O)C1 1588460326 YJCGLXVVGSHDFC-CQSZACIVSA-N 378.406 -0.099 30 20 GBED C=CCOCC(=O)N1CC2(C1)CN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)CCO2 1588667692 ZYORXLXBQXUTIY-UHFFFAOYSA-N 387.400 -0.549 30 20 GBED CO[C@@H]1CN(C(=O)CSCC#N)C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1591468305 SLNHUYYVSSSOTI-VXGBXAGGSA-N 390.429 -0.593 30 20 GBED N#CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 1606350068 NWAUDBLFKXOVNI-SCDSUCTJSA-N 383.416 -0.583 30 20 GBED C[C@@H]1OCC[C@]1(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1708277734 IHLCXFMIPZJOJH-LKQDWFRTSA-N 376.417 -0.502 30 20 GBED CCC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785446358 GAXDPSNBXJSYKR-KBXCAEBGSA-N 379.413 -0.791 30 20 GBED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2 1800487820 JMMURFGRGLOZKK-GUIRCDHDSA-N 389.389 -0.487 30 20 GBED CN1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831208321 LIGRDFPANILICH-PXNSSMCTSA-N 375.469 -0.050 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831215453 NURVCTDZVLRNAR-HNAYVOBHSA-N 392.456 -0.697 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)C)CCO2 1834726496 UHUIKWJPKGTYOJ-SFFCAUCYSA-N 379.457 -0.043 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1 1835763600 KSHBZQRNVGYMGM-YZVOILCLSA-N 397.472 -0.282 30 20 GBED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1837305375 WIIHAYFATYHOIR-JTDSTZFVSA-N 380.489 -0.503 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)nc1)CCO2 1837852416 WSXPRQIUXIZTKP-SFHVURJKSA-N 391.355 -0.621 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1838798673 CNHWKKJKTWYDDN-LJQANCHMSA-N 389.408 -0.350 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)CS(C)(=O)=O 1847258936 KAPFKZYOTKZZRH-YSFHWQLDSA-N 397.497 -0.273 30 20 GBED CCCNC(=O)/C(C#N)=c1/s/c(=C\c2cnn(CCOC)c2)c(=O)n1C 266549926 MYTJORMGWXFMKH-XKJOODPISA-N 375.454 -0.681 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)C1=O 299588150 UVWOTCXOUYWIOE-STQMWFEESA-N 394.428 -0.647 30 20 GBED CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(O)(CC#N)C1 349458164 LMCTTXGARITMAN-CQSZACIVSA-N 390.487 -0.722 30 20 GBED CC1(CO)CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc(C#N)ccn2)C1 349478931 KZBLVVDSKXDWLD-UHFFFAOYSA-N 388.471 -0.271 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CC2)n1 349569578 IDWCRVVZPUNNPH-UHFFFAOYSA-N 386.459 -0.353 30 20 GBED CC(C)(CC#N)CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 422291739 FCKGOWCWSQYSNH-UHFFFAOYSA-N 376.504 -0.463 30 20 GBED N#Cc1ccc(CS(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)c(F)c1 424368059 OULJMDCAMRDNFU-GFCCVEGCSA-N 376.387 -0.289 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CNC(=O)C2)cc1 440466627 KWLWRJUTBPFJCC-GFCCVEGCSA-N 380.426 -0.564 30 20 GBED COCCN(CC#N)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 459535812 OQUNVKOZNFHTGU-UHFFFAOYSA-N 385.424 -0.168 30 20 GBED CC(=O)NC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCO1 482225247 ROPQGLFYEJFXFM-SWLSCSKDSA-N 394.453 -0.411 30 20 GBED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N1CCO[C@@H](C#N)C1 497700561 AZMRYTVVDJJFPO-AWEZNQCLSA-N 382.442 -0.267 30 20 GBED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)N(C)[C@@H](C)CC#N 509269178 JNAMWMNGKOJTMX-AWEZNQCLSA-N 375.495 -0.812 30 20 GBED CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 538103237 VXNYTLOBUBCYET-NSHDSACASA-N 382.446 -0.402 30 20 GBED C[C@@](O)(CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CN1CCOCC1 558543983 XBYFQDSRXSERMK-QGZVFWFLSA-N 396.469 -0.964 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCCO2)s1 594637660 VQOADVGNUDWHFN-JTQLQIEISA-N 394.500 0.245 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)CC1 601467591 XWIKXEVBIRIYIZ-UHFFFAOYSA-N 375.408 -0.678 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 728590204 WRYRFOWYJKXUNB-UHFFFAOYSA-N 380.426 -0.041 30 20 GBED CN1CCN(C(=O)CCNC(=O)C(=O)NCc2cc(C#N)ccc2F)CC1 787610068 QLONVSXVLSYNRJ-UHFFFAOYSA-N 375.404 -0.406 30 20 GBED C#CCN(c1nnc(-c2cnn(C)c2)n1CCOC)[C@H]1CCS(=O)(=O)C1 812143143 NRPJVBUDLYOAKX-AWEZNQCLSA-N 378.458 -0.048 30 20 GBED C=CCC(F)(F)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 815051115 NBJSCAOFCKVPMG-NSHDSACASA-N 386.442 -0.141 30 20 GBED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2C[C@@H](C)[C@H](C(=O)O)C2)n1 817902043 HIOPOGLYKYFFCK-UKRRQHHQSA-N 376.413 -0.330 30 20 GBED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CNS(=O)(=O)NC)C1=O 831521788 NGVPEBXRDNELMU-AWEZNQCLSA-N 377.467 -0.258 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C(=O)c2ccc3c(c2)CCC3)CC1 831560601 CAIGWJNBFHPMAN-UHFFFAOYSA-N 375.450 -0.030 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2nn(CC)nc2C)c1=O 839239561 MDZVZTBNOAGDBP-UHFFFAOYSA-N 384.465 -0.508 30 20 GBED Cn1cc(C=NNc2ccc(S(=O)(=O)N3CCCC3)cn2)c(=O)n(C)c1=O 914700391 QFSNRFUAPVAMPB-UHFFFAOYSA-N 392.441 -0.291 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3c(cn2)OCCO3)C[C@@H]1O 970711345 CMXONZKXJHIGRE-RZFFKMDDSA-N 389.408 -0.255 30 20 GBED CC(=O)OC[C@@H](CO)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1116870784 ZPLRNTAFVZBTAT-GFCCVEGCSA-N 383.426 -0.455 30 20 GBED CN(C[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1)S(C)(=O)=O 1117407885 XCLRAZQDSIGORN-LBPRGKRZSA-N 382.446 -0.525 30 20 GBED C#CCSCCNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 1117408296 DBVSKFDTBIZCDU-UHFFFAOYSA-N 375.516 -0.906 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCCNC(=O)C1 1119060939 IYWVCWFEFCESHO-GFCCVEGCSA-N 380.492 -0.908 30 20 GBED C=CCn1c(-c2nccn2C)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 1121468123 MCFBEBFBRSGAQN-UHFFFAOYSA-N 380.478 -0.207 30 20 GBED C=CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)n1 1130234700 IQVZYHRRKLOBCA-FQUUOJAGSA-N 376.461 -0.207 30 20 GBED C=CCN(CC=C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 1196313117 BNAJHVLUFKVDSA-BSDSXHPESA-N 387.484 -0.115 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N2CCC(C(=O)NOC)CC2)n1 1261900468 YPYZLKRDCIQUTI-UHFFFAOYSA-N 375.429 -0.219 30 20 GBED CC(C)N1CCN(C2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)CC1 1321371487 RRHRDSFXEFEVHV-QGZVFWFLSA-N 385.534 -0.054 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CCO1 1322535047 ZODQXCTXQIJCIC-INIZCTEOSA-N 386.408 -0.474 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCn2c(O)nc3ccccc32)CC1 1323426513 FLKBNIVMJUPUOS-UHFFFAOYSA-N 397.435 -0.154 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H](C)c1ncn(C)n1 1323788754 ICADVYIYXFMJCQ-NWDGAFQWSA-N 383.416 -0.609 30 20 GBED N#CC1(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCC1 1328700139 LIVLSIDKNXXFRM-NEPJUHHUSA-N 383.426 -0.872 30 20 GBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1350530199 KZRBLJIJBTXENC-CQSZACIVSA-N 375.477 -0.286 30 20 GBED CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CC#N 1503282326 PWOOTMQQWRIKHU-NWDGAFQWSA-N 383.478 -0.093 30 20 GBED C#CCN1CCC[C@H]1c1nnc(N2CCO[C@@H](C(N)=O)C2)n1C[C@H]1CCOC1 1526229471 LVKZSSIYWDSWKZ-OWCLPIDISA-N 388.472 -0.225 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F 1573288974 ZOHOZISTNJMBOE-FZMZJTMJSA-N 376.392 -0.389 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nc(C)c(-c3nn[nH]n3)cc2Cl)CC1 1588354019 NVIWNTRSPYITRO-UHFFFAOYSA-N 396.864 -0.187 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[nH]n3)s2)C[C@H]1O 1588357023 IPNFHDWMRMFRRX-DJLDLDEBSA-N 397.848 -0.319 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588405164 MEBNXKDSHVXGRD-CQSZACIVSA-N 388.432 -0.146 30 20 GBED C=C[C@H](C(=O)O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1588670029 UJNWVVFDRLMHHG-CYBMUJFWSA-N 389.455 -0.721 30 20 GBED COC(=O)c1ccccc1N(C)C(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N 1591304430 VUZJIDNOTJLLQS-UHFFFAOYSA-N 381.356 -0.033 30 20 GBED N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCn2cnc(-c3nn[nH]n3)n2)c1 1592693466 FRYDQMWETPBOFW-UHFFFAOYSA-N 386.763 -0.262 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O 1602885593 DZROHAKGDKEVMW-QQUHWDOBSA-N 387.400 -0.913 30 20 GBED CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)O)CC1 1606016319 HCQFIHTZEIGGPB-UHFFFAOYSA-N 380.426 -0.349 30 20 GBED CC#CCS(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1 1609060541 PJCVFIHGVNGQFU-LBPRGKRZSA-N 388.409 -0.311 30 20 GBED COc1cc(C#N)ccc1C(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1626573748 KMGOVDFRBCFQPD-LSDHHAIUSA-N 379.438 -0.206 30 20 GBED N#Cc1cn(CC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c(=O)nc1O 1628767812 TYYYUWGXYVQFQX-IBGZPJMESA-N 383.408 -0.426 30 20 GBED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCn1cncn1 1692539424 MJLPSRPRPITIBJ-HNNXBMFYSA-N 398.475 -0.115 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1783344626 QHGYXEJDTKKVFU-JXFKEZNVSA-N 386.404 -0.492 30 20 GBED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)N1C[C@H]2C[C@H]2C1 1783565790 ZFKLIXAGRDXQKP-CUYVQJCZSA-N 375.425 -0.756 30 20 GBED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1 1784575805 KPSAGEKTXHSWTB-XUXIUFHCSA-N 383.470 -0.006 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4C[C@H](O)CN4)C[C@@H]32)c1 1789344951 KVAFOIMJSBMBFJ-JBJRXJHCSA-N 387.440 -0.798 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N(C)C(C)=O)C2 1793343229 PFYGBHKPVMXKSQ-GWCDLVAZSA-N 379.457 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30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H](NC(=O)OCC)C2)C1=O 297787325 JGYLHGKMLLGEBC-KBPBESRZSA-N 380.445 -0.031 30 20 GBED CCCn1c(=O)/c(=C/c2ccnn2C)s/c1=C(/C#N)C(=O)NCCOC 298278512 BPYCRRPNYNHFKA-YEJJPGKBSA-N 375.454 -0.681 30 20 GBED CN(C)S(=O)(=O)[C@@H]1CCCN(/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)C1 329247101 VZIPDEIVMXHQST-CHWSQXEVSA-N 396.535 -0.320 30 20 GBED C[C@H](/N=C(/O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)[C@H]1CCOC1 329783913 VOFLKNZHBZEYPZ-KBPBESRZSA-N 376.479 -0.480 30 20 GBED CC1(C#N)CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(O)nn2)C1 349473052 HHQWTIRQAMSRAX-UHFFFAOYSA-N 375.432 -0.511 30 20 GBED C[C@H](O)[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)C1 349494458 CKDULCGADUSKDB-QWHCGFSZSA-N 381.520 -0.027 30 20 GBED CCN(CCO)CCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 370348377 KUBSTBQBWQBWFT-UHFFFAOYSA-N 388.403 0.252 30 20 GBED COC(=O)C[C@H]1COCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 376544059 YJYBUTUKZVKYEN-AWEZNQCLSA-N 391.428 -0.233 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 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C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(C)=O)C2 1793822315 RUSFJWVWHOHUJL-IVSAIRAKSA-N 399.513 -0.354 30 20 GBED CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)nc1 1794462200 HCXGOAZQTYWHSR-IVWMJMPLSA-N 386.408 -0.561 30 20 GBED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O 1795522430 OHWMQWMQNGYQCF-YWVIFJGQSA-N 387.373 -0.896 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ccccc12 1796843172 WXGMSJWKGQRHBB-IVWMJMPLSA-N 382.376 -0.375 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncon1 1798352903 BGIOBNHQRAFSTM-DABQJJPHSA-N 378.385 -0.218 30 20 GBED COC(=O)CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800781268 VPJGSUYUTUBDSL-HBCWATKFSA-N 394.424 -0.213 30 20 GBED N#CCCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1806860526 LYAQOZCRBZRCOI-KDOFPFPSSA-N 398.423 -0.057 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]nc3C)C2)C1 1831397808 XGRJCCVLCZFZKP-DNVCBOLYSA-N 390.440 -0.174 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831726914 DMFCKHONYGAPSA-GOSISDBHSA-N 389.412 -0.198 30 20 GBED C#CC(=O)N1CCC(N2CCC(NC(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1833968507 OMQRPNKENMDBPX-UHFFFAOYSA-N 385.424 -0.007 30 20 GBED N=C(N)SCC(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1834656368 KOTAEQXYQBXSSQ-UHFFFAOYSA-N 395.485 -0.727 30 20 GBED CC[C@@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1835913148 UYRACLRITRHMQR-BEFAXECRSA-N 389.456 -0.046 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1836859663 WKCHOJDVLNVNBW-PBHICJAKSA-N 380.489 -0.691 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839228162 UMWUORHEQJPRAG-RDTXWAMCSA-N 395.412 -0.668 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839719510 AEEISSYHNCZSMV-KXBFYZLASA-N 390.440 -0.553 30 20 GBED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C1(O)CCC1 1840039768 ABQNQSDLHBKNSB-KDOFPFPSSA-N 394.424 -0.918 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCn1ccnn1)CCO2 1840449371 JMCLIXAUHPMAOZ-SFHVURJKSA-N 375.429 -0.462 30 20 GBED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)CC[C@@H](N)C(N)=O)C3)c1 1844725835 OWTIUWPLDOXRRA-MRXNPFEDSA-N 399.451 -0.023 30 20 GBED C/N=C(/NCCNS(=O)(=O)c1cccnc1)NC1CCN(C(C)=O)CC1 262806449 STHHUESCKJHGAH-UHFFFAOYSA-N 382.490 -0.464 30 20 GBED N#C[C@H]1COCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 268116139 PWLNZCJEFBSOHP-JTQLQIEISA-N 383.386 -0.205 30 20 GBED N#Cc1ccc(NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)c(Cl)c1 269077041 GZWIJCZJLXKVGW-UHFFFAOYSA-N 399.860 -0.417 30 20 GBED COCCN(CCOC)C1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 286220187 BZSJKZFNIVWUCT-UHFFFAOYSA-N 379.461 -0.481 30 20 GBED Cc1nnnn1-c1ccc(F)c(NC(=O)CN(CC#N)S(=O)(=O)N(C)C)c1 289493152 ZGDQTTNQSGZBGB-UHFFFAOYSA-N 396.408 -0.320 30 20 GBED N#Cc1ccc(CNC(=O)CN2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 298775890 REMUKHYPTRGJFO-UHFFFAOYSA-N 383.452 -0.059 30 20 GBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)CSCC(=O)N1CCOCC1 328735884 KUVZIKCAFARZBZ-GFCCVEGCSA-N 379.504 -0.041 30 20 GBED Cn1cc(N2CCC[C@H](N/C(O)=N/C[C@@H]3CCN(S(C)(=O)=O)C3)C2=O)cn1 328766749 AZNKJYDCMSYNJF-JSGCOSHPSA-N 398.489 -0.299 30 20 GBED C[C@@H](/C(O)=N/C1CCCC1)N1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1 329016292 QNLAAVVDPNPOPE-AWEZNQCLSA-N 391.472 -0.021 30 20 GBED O=C(C1CCC1)N1CCN(CC/N=C(/O)N2CCN3C(O)=NC[C@@H]3C2)CC1 329748590 FNAKUKODYBCPQO-OAHLLOKOSA-N 378.477 -0.242 30 20 GBED Cn1c(N(CC(=O)N2CCCC2)C[C@H]2CCCO2)c(C#N)c(=O)n(C)c1=O 333210711 PRVRXMPQVAYLTI-CYBMUJFWSA-N 375.429 -0.437 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](CO)C2)nc1 349523820 MOAKTUFOEVVJQS-CYBMUJFWSA-N 388.471 -0.271 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)C[C@H]1CO 349524749 OHMQSTSXEGTZNI-OLZOCXBDSA-N 381.520 -0.170 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)CC2)c(F)c1 460071728 CZCHGPSFVTXACG-OAHLLOKOSA-N 389.387 -0.941 30 20 GBED C=CCOc1cccnc1C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 471321274 GRHATDLKHOYBSH-KBPBESRZSA-N 381.454 -0.438 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 534492828 MZTVLTXDWQWQKP-GXFFZTMASA-N 386.455 -0.886 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1cccc(N(C)C)n1 580476867 MLPCYOFSWDHYGW-UHFFFAOYSA-N 384.444 0.032 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)c1ccccc1S(=O)(=O)NCCO 594633642 ZYRXOZFCAMDFCE-LLVKDONJSA-N 391.496 -0.413 30 20 GBED CNC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CCO1 600014709 AVVXSFBOJFFBPD-GFCCVEGCSA-N 391.432 -0.395 30 20 GBED N#Cc1ccccc1OCC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 604181736 UAAVWWMLJRITJO-UHFFFAOYSA-N 384.392 -0.243 30 20 GBED COc1cc(C#N)ccc1OCC(=O)NCCN1CCN(S(C)(=O)=O)CC1 604465864 FDWVCXQGOFZALX-UHFFFAOYSA-N 396.469 -0.361 30 20 GBED C#CCNC(=O)C1CCN(C(=O)Nc2ccc(S(=O)(=O)NC)cn2)CC1 792399574 FDNDVEGQICXTOO-UHFFFAOYSA-N 379.442 -0.017 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)N(CC)CC)CC1)[C@H]1CCCO1 809304975 ULCFKOKMPKHKMA-HZPDHXFCSA-N 378.473 -0.704 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCCN(C=O)CC1 848962076 XYDGFDVDTWXPFW-ZDUSSCGKSA-N 380.492 -0.956 30 20 GBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1cc([C@@H]2CCCO2)nn1C 848967139 RLHRLAAGWCKBHQ-ZDUSSCGKSA-N 390.487 -0.044 30 20 GBED COC(=O)N(C)CCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 850671537 RVIUPEPWDPJSTB-UHFFFAOYSA-N 385.384 -0.049 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N(CCN2CCOCC2)[C@@H]2CCSC2)CCO1 882372133 DCZFBPKEGJMSRC-HUUCEWRRSA-N 390.531 -0.405 30 20 GBED C[C@H]1CC(=O)N[C@@H](C(=O)N2CCO[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)C1 960453109 ZNPHTIPANVAJOY-BQDHKBFISA-N 385.424 -0.147 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccoc2CC(N)=O)C1 970133948 XVQPZMDYUBEELU-MQYQWHSLSA-N 377.397 -0.800 30 20 GBED C=CCn1cc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4C[C@H]4C(=O)N(C)C)C[C@H]32)nn1 972222617 SRHJXDSVFHDEOW-HGTKMLMNSA-N 386.456 -0.139 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2csnn2)C[C@@H]1n1ccnn1 990964048 XJGJKSZXWOHSJN-RFHZTLPTSA-N 389.441 -0.097 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2c(O)nnc2O)cn1 998956928 MSNQNKZZBUGLBH-RDBSUJKOSA-N 382.380 -0.373 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)nc(N(C)C)n2)C[C@@H]1O 1044671040 SRNRZIWQOZFIQT-KBXIAJHMSA-N 376.461 -0.107 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCOCC1 1070256513 HLEVKPVBTWIHAY-XGUBFFRZSA-N 379.457 -0.129 30 20 GBED N#CCNC(=O)CN1CC[C@@]2(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@@H]12 1107544322 XXBRJZDTRJIUAG-HNSFDTNUSA-N 377.445 -0.980 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2cnc([C@@H]3CCCO3)s2)c(=O)n(C)c1=O 1116378918 HCDNYVTWXWVISE-JTQLQIEISA-N 399.454 -0.296 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H](N)CCO2)C1 1118266680 LXNKMOUCJOAVEB-RRFJBIMHSA-N 387.502 -0.552 30 20 GBED C=C(Br)Cn1nnnc1N1CCCN(C(=O)CNC(C)=O)CC1 1120137856 QLCBMVKSGHSMFD-UHFFFAOYSA-N 386.254 -0.244 30 20 GBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 1220035789 VYCOVJOTUBQZBU-BDXSIMOUSA-N 386.452 -0.422 30 20 GBED CN1CCC2(CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)C1=O 1257061031 VTQJAKQKKRXESY-UHFFFAOYSA-N 384.440 -0.048 30 20 GBED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cnn(CC(N)=O)c2)c1 1320547915 WZTOZYQWCUKAER-UHFFFAOYSA-N 382.380 -0.615 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 1323105382 UQWFQVNZTADERQ-GFCCVEGCSA-N 379.442 -0.289 30 20 GBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCc2ccc(OCC#N)cc2)C1 1326082963 CPYIFDWHEJWQKK-ZIAGYGMSSA-N 375.381 -0.412 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O 1329182084 GKIHYEQIOVAERK-CYBMUJFWSA-N 375.516 -0.211 30 20 GBED CCN(CC)[C@@H]1CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1342098966 OTBPVKJELDYUMW-JFVSRZABSA-N 377.445 -0.428 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1343071902 WYQRFAJZDIXXJI-CQSZACIVSA-N 381.454 -0.163 30 20 GBED C#CCN1CCC(C(=O)N(C)CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1573282164 GHZWMWJRJMSGKA-UHFFFAOYSA-N 384.444 -0.272 30 20 GBED C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1588728916 YDDUNKZCLSKGLH-HONMWMINSA-N 392.441 -0.007 30 20 GBED CN(CCC#N)C[C@H](O)CN[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1=O 1591062352 WOIKFMKNENBCOR-SJORKVTESA-N 398.471 -0.236 30 20 GBED Cn1cnc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)n1 1729592161 ZUAARWIZDPAEDB-ABAIWWIYSA-N 394.436 -0.201 30 20 GBED O=C(C#CC1CC1)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777824986 BYBJSJQWCJGXCQ-LJQANCHMSA-N 380.408 -0.019 30 20 GBED NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779067721 ZCQWCVLFSMHIFQ-FQEVSTJZSA-N 391.468 -0.220 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783164454 ZOAMTSUDETWTAK-NJSLBKSFSA-N 379.457 -0.475 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cn3ccsc3n1)CCO2 1783565041 OYTNQUXICHIJKJ-KRWDZBQOSA-N 388.405 -0.073 30 20 GBED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2 1783903006 BMCUGGWJJZLTAM-GOSISDBHSA-N 376.413 -0.828 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3F)[C@H]2C1 1787195967 FNSSCGLDCORXKD-WHOFXGATSA-N 375.356 -0.098 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)C3)[C@H]2C1 1790860343 WEMATQNAOCGRKH-YXMSTPNBSA-N 394.472 -0.097 30 20 GBED CN1CCC(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CC1 1791073245 VWNQBLOJXDQMED-ULQDDVLXSA-N 391.468 -0.214 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2 1793342772 RDAODWOXYXQAFQ-FMSGJZPZSA-N 390.396 -0.871 30 20 GBED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2 1793352491 TWYPZCDMVYZYKC-AFIMGQEJSA-N 379.457 -0.305 30 20 GBED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1 1796297383 QHAVNWNUBFSGOT-CVJBQYJBSA-N 391.432 -0.160 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)NCC 1797695063 QRVJXGUTTFHLNQ-NPJQDHAYSA-N 394.472 -0.678 30 20 GBED CN(C)C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799746383 CDFOEUIVNOSLSG-YWVIFJGQSA-N 388.399 -0.011 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1800451212 RNDLAMMDXDFCGM-FVCICTRLSA-N 391.449 -0.537 30 20 GBED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2)C(F)(F)F 1800551372 TZMUZEPZZCJFSP-KQXIARHKSA-N 375.347 -0.169 30 20 GBED CCOC(=O)C1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CC1 1800779156 VWIVDCQSTRBDAL-JJLQDPRZSA-N 378.381 -0.993 30 20 GBED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802105125 ZUJBBIZHJVYPMX-QHBPRCKVSA-N 396.494 -0.260 30 20 GBED Cn1nc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1O 1804900028 VKCHNOHQJKUCCX-ACJLOTCBSA-N 397.391 -0.072 30 20 GBED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]cnc4n3)sc2C1 1815333198 JPNFFPUTUFECCR-MRVPVSSYSA-N 383.393 -0.267 30 20 GBED N#CCC(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)n3)CC2)CC1 1835075007 RHTMPMLUIMTCAU-UHFFFAOYSA-N 388.428 -0.013 30 20 GBED CS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1835260637 BJYRYTMCNHUODU-QGZVFWFLSA-N 399.469 -0.819 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1840170180 ORSWDTJFASKIPI-SFHVURJKSA-N 375.429 -0.462 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840422308 UXZIXQYLAHUAAQ-CRAIPNDOSA-N 375.429 -0.291 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)c1 1844795753 YFEBTWRACTVVFG-UHFFFAOYSA-N 393.367 -0.857 30 20 GBED COC[C@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 268678307 ZJAYBMROTLAKDO-INIZCTEOSA-N 380.426 -0.534 30 20 GBED CCN/C(N)=N/CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 271599125 ZJUHENLGLUJCPL-UHFFFAOYSA-N 378.476 -0.285 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](S(C)(=O)=O)C1 282320497 CPFCHUFIJCYJDV-RISCZKNCSA-N 385.467 -0.129 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](O)COc2cccc(C)c2)C1=O 299470427 BSTBOCFOMHEPIY-CYBMUJFWSA-N 375.381 -0.172 30 20 GBED CS(=O)(=O)N1CCCN(/C(O)=N/[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 328823529 RCSQYKWDTYNTGX-GFCCVEGCSA-N 382.508 -0.708 30 20 GBED CC(C)C(=O)N1CCC(/N=C(/O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 328864787 ZLOXRYHVZJFULK-UHFFFAOYSA-N 392.464 -0.622 30 20 GBED CS(=O)(=O)N[C@H]1CCN(/C(O)=N/[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 329491851 SYNSUWAKMHNOEH-NEPJUHHUSA-N 394.519 -0.520 30 20 GBED Cc1noc(CN2CCN(/C(O)=N/C3CCN(CC(=O)N(C)C)CC3)CC2)n1 329663533 JLKORBYEJFMMML-UHFFFAOYSA-N 393.492 -0.038 30 20 GBED CCNS(=O)(=O)[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 330637270 GAEDNEPKRBNSBP-JKSUJKDBSA-N 385.534 -0.308 30 20 GBED CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)[C@@H]1C 349528815 YNJBXZAIAQQPLS-NWDGAFQWSA-N 380.492 -0.910 30 20 GBED CN1C[C@H]2CC[C@H](CC1=O)N2S(=O)(=O)CCCCS(=O)(=O)NCC#N 349612131 TZFTUPVVOQFUEV-CHWSQXEVSA-N 392.503 -0.766 30 20 GBED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)N3CCC[C@H]4C(=O)NC[C@H]43)C2)nc1 411015141 XAENZZOQLQWJQH-RRFJBIMHSA-N 383.408 -0.330 30 20 GBED CN(CCC#N)S(=O)(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 452071667 RIVOMGVEQYOYKZ-UHFFFAOYSA-N 394.450 -0.126 30 20 GBED C=CCCC[C@H](C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 488143480 CWRXYNKCVLKEEP-HNNXBMFYSA-N 394.472 -0.623 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nc(N(C)C)no1 505894724 FSCMEQPGVZEXSE-SNVBAGLBSA-N 378.414 -0.010 30 20 GBED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)[C@H](C)CC#N 509404155 PBQWSBZCNCGARV-VXGBXAGGSA-N 380.492 -0.910 30 20 GBED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c1=O 551924139 OMLFOMLSTKTBSR-UHFFFAOYSA-N 387.465 -0.445 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCCNC1=O 572899713 IRUWALUYDXPJLY-LLVKDONJSA-N 380.492 -0.814 30 20 GBED CC1(C)CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCN1CCO 589490081 MGSRBVUCZHNASE-UHFFFAOYSA-N 380.470 -0.248 30 20 GBED CC(C)(CO)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 592781021 UUYHQKYDSKJQGK-UHFFFAOYSA-N 380.470 -0.248 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N(CCO)CCO)cc1 594628045 ZKZYWKYZJIXGGG-LBPRGKRZSA-N 391.471 -0.758 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CC(O)(CC#N)C2)c1 594630755 SXKMMOJQCKATBU-LBPRGKRZSA-N 398.466 -0.084 30 20 GBED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCNS(C)(=O)=O)cc1 606006526 PBNCEQBTDJCBHG-UHFFFAOYSA-N 383.430 -0.402 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CC(N)=O 608911553 IZLSJWYARIYJPO-UHFFFAOYSA-N 382.445 -0.491 30 20 GBED C[C@@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C)CC1 733977882 UDPODNYBLHYRRY-AWEZNQCLSA-N 393.513 -0.133 30 20 GBED C[C@H](C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)n1nnnc1C(C)(C)C 755683021 ZLDSYNHTLGPWFO-GHMZBOCLSA-N 382.446 -0.503 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCS[C@H]3COCC[C@@H]32)c1=O 767783308 UITMVNDWUAXFJM-KBPBESRZSA-N 380.470 -0.293 30 20 GBED CCOC(=O)c1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)o1 771891337 MHPCXYHOZNSLSU-UHFFFAOYSA-N 384.370 -0.834 30 20 GBED Cn1c(=O)c2cc(C(=O)NS(=O)(=O)CC(C)(C)C#N)cnc2n(C)c1=O 776142923 KHQIEEHCEZWTEB-UHFFFAOYSA-N 379.398 -0.758 30 20 GBED C=CC[C@@H](CO)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 823888037 DDIAYAKFKVNKAE-NWDGAFQWSA-N 394.457 -0.166 30 20 GBED COC(=O)c1oc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1C 853323647 ITGHZQUNSOMIRX-UHFFFAOYSA-N 384.370 -0.916 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CC(=O)N2CCN(C)CC2)c1 917652075 OTYMVHMKGWNACG-UHFFFAOYSA-N 394.497 -0.003 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cnc(O)n(C)c2=O)[C@H](OC)C1 944378463 VPNHRBCBCQAJQH-RUZUBIRVSA-N 392.412 -0.967 30 20 GBED C=CCn1cc(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4OCCO[C@H]4C)C[C@H]32)nn1 1021691566 MDJMSNBVERCNKN-UGQVUOCMSA-N 375.429 -0.059 30 20 GBED C#CCN1CCC(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1057861160 KHSOQLLLZADAIX-KURKYZTESA-N 377.485 -0.164 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N(C)c2nccs2)C[C@@H]1O 1083790167 RTXVZXLBWVUXJA-MQYQWHSLSA-N 380.470 -0.142 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCN2CCNC(=O)C2)C1 1116571072 PZUAWJAHIAYDIC-OLZOCXBDSA-N 380.449 -0.524 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 1196313958 NPMMFNYYPDMKRD-YLFCFFPRSA-N 388.472 -0.553 30 20 GBED C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C[C@H]1C 1215605512 MDWBYJGLXPBQHP-SLBVQIDZSA-N 388.472 -0.028 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 1261154197 GAVGOVZOLSNJDU-HNNXBMFYSA-N 380.489 -0.103 30 20 GBED N#CC1(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCOCC1 1318540699 MCPIIWMDYCDEJX-UHFFFAOYSA-N 392.437 -0.390 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F 1321697712 JQPCRJVLUPRVIK-YGRLFVJLSA-N 378.351 -0.007 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C 1321852264 LDROLSXDTPTOEP-QWHCGFSZSA-N 375.491 -0.082 30 20 GBED CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)NCc2ccc(OCC#N)cc2)C1 1322522945 CBDQMPNHHHVSTA-AWEZNQCLSA-N 394.453 -0.397 30 20 GBED CS(=O)(=O)CCOCCNC(=O)C(=O)Nc1ccc(F)cc1OCC#N 1333024559 PINHJIROQHABRY-UHFFFAOYSA-N 387.389 -0.156 30 20 GBED CCn1cc([C@H]2C[S@](=O)CCN2C(=O)NCCn2cnc(C#N)n2)cn1 1342556029 SPODHJAQIRSKCX-ZBSNKRKSSA-N 376.446 -0.119 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)C1=O 1344923980 GAXHZMOMXOCGKZ-KGLIPLIRSA-N 379.461 -0.506 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 1349209565 FUYZDNWEXZVQLV-IBGZPJMESA-N 382.424 -0.085 30 20 GBED C=CCn1c(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nnc1[C@]1(O)CCOC1 1352140842 OSOBWOLULHVIPM-LIRRHRJNSA-N 390.488 -0.139 30 20 GBED Cn1c(-c2ccc(C#N)[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1519570782 KWBPYAXOKMHIKC-UHFFFAOYSA-N 382.428 -0.047 30 20 GBED C#CCNC(=O)CNC[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573286356 ZNDMVGXLIBWSKP-GXTWGEPZSA-N 384.444 -0.178 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc([C@H]2CCC(=O)N2)n1CC[S@@](=O)CC 1574954767 NPBOKPHHMDUOMS-QWVSSGJLSA-N 390.473 -0.244 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)CCCc2cnn[nH]2)C[C@H]1C(F)(F)F 1575004590 GMNRZVMDQSVQSQ-CHWSQXEVSA-N 386.378 -0.144 30 20 GBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4cnn[nH]4)nc3)C[C@H]2O)c[nH]1 1577712571 RBRPLZOEUQCYLF-HZPDHXFCSA-N 392.379 -0.318 30 20 GBED C#Cc1ccccc1CC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[nH]n2)nn1 1588377236 STKKSGAGSKFHIB-AWEZNQCLSA-N 378.396 -0.230 30 20 GBED COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2CCCCN(CC(=O)O)C2=O)CC1 1593814043 YALUOLFPJJNLMU-GFCCVEGCSA-N 380.401 -0.060 30 20 GBED C#CCCN1CCN(CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 1602712610 QGIHCILRKGNOLP-UHFFFAOYSA-N 375.458 -0.324 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](O)CN=c1cc[nH]cc1-c1nn[nH]n1 1602756793 XUZJIUCZEDKCQG-IUODEOHRSA-N 388.432 -0.957 30 20 GBED C=CCOC[C@@H](NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)O 1602910477 ZCTOOWQLBKBCAB-BZNIZROVSA-N 383.401 -0.626 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC12COCCN1CCOC2 1606338470 WMIYYJQZNQBHHF-INIZCTEOSA-N 397.439 -0.234 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)C[C@]3(O)CCOC3)CC2)cc1 1642226262 DMZNIHFXEMSERV-FUHWJXTLSA-N 395.481 -0.233 30 20 GBED COC(=O)[C@@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](C)O 1645270887 RSYRMEYGGQCLPX-RULNRJAQSA-N 383.426 -0.458 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)C(C)(C)C)C[C@H]1O 1757002743 RNDSBDRDRXYWBN-NHIYQJMISA-N 381.473 -0.182 30 20 GBED CN1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)CC1 1778266082 GCRIGYMFSGXBSM-HXUWFJFHSA-N 389.500 -0.242 30 20 GBED CC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779106484 KJOIJWVEELWZMX-CLBJDOSESA-N 396.444 -0.519 30 20 GBED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1782193968 GMMBWGHQJDGUGM-SNUQEOBHSA-N 378.429 -0.326 30 20 GBED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)CCC1 1785365475 ZRXCKCGXUORGGT-SCLBCKFNSA-N 377.445 -0.897 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cncn4)[C@H]3C2)c1 1787086820 WXVKNOSQTJPGPM-DZKIICNBSA-N 383.412 -0.229 30 20 GBED CC(=O)N/C(C)=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077516 CEPLNTYDYJWTDP-NQDLHCNUSA-N 377.397 -0.906 30 20 GBED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 1791273185 SVMBTGPXRICSQV-KKUMJFAQSA-N 375.425 -0.143 30 20 GBED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1793261208 CMEJRYDKSZGNSV-IVSAIRAKSA-N 380.466 -0.433 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795580248 LAMDUEAIXDWSPX-AYDFFVQHSA-N 394.476 -0.783 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800389966 OQAQWTFELVQWRB-RBZJEDDUSA-N 398.481 -0.809 30 20 GBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1800533960 YZJBGLUKCXNDDX-JZSMVWDSSA-N 390.440 -0.187 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cc(O)n[nH]2)[C@H]1c1cccnc1 1812877813 ARUWEUYSEWOZST-PXAZEXFGSA-N 383.364 -0.082 30 20 GBED CN(C)C(=O)NCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1814566596 JBCKVAZSNGWQLO-GFCCVEGCSA-N 390.400 -0.239 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CC2 1825664608 MFKCUSWUWUXVRK-WPRPVWTQSA-N 376.394 -0.578 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCn1cncn1)CC2 1825674241 FVCWZBZGNDJCGU-JTQLQIEISA-N 388.409 -0.175 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)C(OC)OC)C2)C1 1832446507 ACFZWSLHZBJQMD-QGZVFWFLSA-N 388.486 -0.019 30 20 GBED C[C@@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834768993 TVWJCQIXECCTIQ-YJBOKZPZSA-N 375.429 -0.111 30 20 GBED CSCC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835364333 QFDKIEVPZTUHKP-RHSMWYFYSA-N 385.486 -0.139 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837015275 MPWZMIXQKAOSIM-GOSISDBHSA-N 384.396 -0.287 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841848002 DNQSYPFARMAOBM-GFCCVEGCSA-N 379.417 -0.458 30 20 GBED C#CC(=O)N1CCCC12CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1845958559 WSRLSRLBZXWHGP-UHFFFAOYSA-N 381.436 -0.142 30 20 GBED COCCN(C(=O)CO/N=C(\N)c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 267893757 VOBGVIANNVRXPE-CQSZACIVSA-N 399.469 -0.006 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NC1CCN(CCOC)CC1)c1cc[nH]n1 276554793 IJWJNFBUQHCQOC-LTGZKZEYSA-N 381.433 -0.080 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](S(C)(=O)=O)C1 282320481 CPFCHUFIJCYJDV-BXUZGUMPSA-N 385.467 -0.129 30 20 GBED N#Cc1ccc(CS(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 288492676 YPNVTDVWYFGHAE-JKSUJKDBSA-N 399.494 -0.525 30 20 GBED Cc1nsc(N2CCN(C(=O)NC[C@@H]3CC(C(N)=O)=NO3)CC2)c1C#N 297983544 MUMATCDJWGLYRB-JTQLQIEISA-N 377.430 -0.215 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)[C@H]2CCN(S(C)(=O)=O)C2)CC1 330261529 UIMUISIBJOURQO-HOTGVXAUSA-N 385.534 -0.356 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N[C@@]2(C#N)CC2(C)C)CC1 349535339 JMNGMXKWRBGHLG-OAHLLOKOSA-N 392.547 -0.045 30 20 GBED CNS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OCCOC 443782970 QTSHOWDFKYVBLE-UHFFFAOYSA-N 384.414 -0.813 30 20 GBED N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CC[C@@H](N3CCOCC3)C2)CC1 459886564 OJWCQXABBOPOIU-QGZVFWFLSA-N 398.467 -0.465 30 20 GBED CCOC(=O)[C@@](C)(O)CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 468965190 NCGWSOBLQPPRCD-INIZCTEOSA-N 383.426 -0.391 30 20 GBED C=CCN(CCOC)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 484609349 WWZFVJKWYHICFR-UHFFFAOYSA-N 379.417 -0.659 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)NCCCNS(=O)(=O)N(C)[C@H](C)CC#N 509444167 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30 20 GBED COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)NCC(=O)NCC#N)c1 796217108 KZRDWWHGMQUOLF-PLNGDYQASA-N 397.409 -0.192 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1ccc(OCCO)c(OC)c1)[C@H]1CCCO1 809313874 WGYXXXKOLWNZEN-LSDHHAIUSA-N 376.409 -0.021 30 20 GBED Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 822548485 LFEQMBHLZAXJTF-UHFFFAOYSA-N 391.373 -0.135 30 20 GBED COC[C@@](C)(CC(=O)O)NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 831573960 YZDJLIZOLNBVLA-QGZVFWFLSA-N 379.417 -0.027 30 20 GBED C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)CCCOC)CC2)C1 890369746 ZWMLAOMXOYXYHS-MRXNPFEDSA-N 386.518 -0.223 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCN(C(C)C)C2)CC1 892825426 ZBTNJFSKIFQVHV-INIZCTEOSA-N 385.534 -0.098 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 955336242 PYUVBRNBKGYMKZ-FXUDXRNXSA-N 379.457 -0.118 30 20 GBED C=CCOc1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2O)cc1 967405387 MUTRHNIPSMENPK-TWMKSMIVSA-N 387.436 -0.397 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 1025699057 HUYSRHJRNVYSIV-SRMUXQRQSA-N 390.440 -0.214 30 20 GBED C#CCNC(=O)CC(=O)NCC1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCOCC1 1070179595 WAVBIPMEKBTPSW-JSEZXORMSA-N 389.452 -0.669 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCc2cn(C)nn2)C1 1070295325 ZWCCSENTMDDEBF-YVSFHVDLSA-N 386.460 -0.071 30 20 GBED C=C(C)CN1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)[C@@H]2CS(=O)(=O)C[C@@H]21 1094647811 FMWSLPJROGKKSI-SMLCLMEVSA-N 384.498 -0.076 30 20 GBED C[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1CNCC(=O)NCC#N 1106316401 UJFLZRBRVJOUAV-OXHZDVMGSA-N 392.378 -0.343 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCN(C)C1=O 1110919662 IYULYVSHFCNOMT-FPCVCCKLSA-N 375.473 -0.052 30 20 GBED CCn1cc([C@@H]2C[S@](=O)CCN2S(=O)(=O)N2CCO[C@@H](C#N)C2)cn1 1321196299 PTJWKZOVNQQBHO-POUGUFFASA-N 387.487 -0.522 30 20 GBED COc1cc(CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)ccc1OCC(N)=O 1321898203 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GBED N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccco2)CCO1 1505322414 NLTAVTAXCQTTQU-OLZOCXBDSA-N 399.411 -0.019 30 20 GBED N#Cc1cn(CC(=O)NCc2ccc(-c3nn[nH]n3)c(Cl)c2)c(=O)nc1O 1581876890 KXQQVAHILLWHEG-UHFFFAOYSA-N 386.759 -0.030 30 20 GBED C#CCOCCC(=O)N1C[C@H]2CC[C@H]1[C@H](N=c1cc[nH]c(-c3nn[nH]n3)n1)C2 1588360088 HYVFAQKOZKDEOG-MJBXVCDLSA-N 382.428 -0.090 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCCO1 1588503577 AKLGMCUUGULIGZ-YVEFUNNKSA-N 388.432 -0.305 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@H](CO)Nc1ncc(-c2nn[nH]n2)cc1Cl 1602724371 DFMFOIVKFYSTEB-MWLCHTKSSA-N 379.808 -0.158 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[nH]n2)cc1Cl 1602724372 DFMFOIVKFYSTEB-ONGXEEELSA-N 379.808 -0.158 30 20 GBED C#CCOCCC(=O)N[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2Cl)C[C@@H]1O 1602729153 GRQGZKQEFBINKP-OLZOCXBDSA-N 391.819 -0.379 30 20 GBED COc1cc(-c2nn[nH]n2)ccc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1605158955 JEMYXWPTXWZUGV-UHFFFAOYSA-N 394.351 -0.294 30 20 GBED CC[C@H](C)[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010888 JLXAIBJPHRQILR-BDEJMISXSA-N 380.441 -0.005 30 20 GBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)CCO2 1783048716 HCPCRHKMYCSKPL-KUHUBIRLSA-N 395.456 -0.011 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(N)=O)C1 1783284344 FFCHKXRYEHRXFP-IQUTYRLHSA-N 396.488 -0.258 30 20 GBED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)C=CC4=O)C[C@@H]32)CC1 1786699705 UZHQYRAKNGROIH-IHRRRGAJSA-N 386.408 -0.805 30 20 GBED Cc1nc(C)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)o1 1788921983 ZSHKEPJFXDGKSR-IHRRRGAJSA-N 375.381 -0.027 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)CC 1793314394 XJYCEDHNLXFJJA-HGTKMLMNSA-N 388.486 -0.398 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)NS(=O)(=O)CC 1793529205 JLKGDFUUBHOASO-GVRJEKJASA-N 399.513 -0.009 30 20 GBED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)NC(=O)OCC)C2 1793568466 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GZGAWRODXDRZIV-FQEVSTJZSA-N 386.404 -0.227 30 20 GBED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1)C(F)(F)F 1835578404 VKWAESKPFNIDGC-CQSZACIVSA-N 393.366 -0.956 30 20 GBED CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840161138 FLKITSVKCAHOLL-CCLKGCNTSA-N 392.543 -0.080 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1840166148 VSHIWETVWPSNKS-DYVFJYSZSA-N 396.469 -0.370 30 20 GBED CN(CC(=O)N1CC2(CCCN2C(=O)C#Cc2ccccc2)C1)C(=O)C(=O)O 1842731395 BJTAQQYNMQVQDU-UHFFFAOYSA-N 383.404 -0.216 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCOC 255494992 ZZMCCOBADBQEFI-UHFFFAOYSA-N 393.490 -0.117 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@H]2C(=O)NCCCC)C1=O 264208087 RBXPBTWLBIUVBF-NSHDSACASA-N 382.442 -0.219 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)C[C@H]1C 268894568 ZMYGGEUGLBGOLK-VXGBXAGGSA-N 385.467 -0.129 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCN1CCNC(=O)C1 271045163 RSPPGAAHERVXNL-ZDUSSCGKSA-N 393.469 -0.837 30 20 GBED CN(CCO)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 275390900 GLXAWSXAJDDWNV-JXAWBTAJSA-N 382.442 -0.111 30 20 GBED Cc1cc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1C#N 277812454 IDFQMEPJXZEOQR-CYBMUJFWSA-N 385.467 -0.210 30 20 GBED COCCOCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 284186669 KIXZWNOUKRMINO-INIZCTEOSA-N 388.424 -0.445 30 20 GBED CN1C[C@H](/N=C(/O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)CC1=O 329523558 RSAXPLUGAQEBHE-NEPJUHHUSA-N 375.389 -0.012 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1CCn2ncnc2C1 349494462 CKYGTBFQSGCUJL-UHFFFAOYSA-N 390.491 -0.623 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)CC[C@@H]2C1 349527778 WKDLVXVGNZAPGV-CYBMUJFWSA-N 392.503 -0.812 30 20 GBED N#CCN(C1CCCC1)S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C1 349532960 CGBOBKQDLQXIKS-UHFFFAOYSA-N 392.503 -0.764 30 20 GBED Cn1ncc2c1CCCN(S(=O)(=O)CCCCS(=O)(=O)NCC#N)C2 349610204 QHDQPTDVPJEAQS-UHFFFAOYSA-N 389.503 -0.279 30 20 GBED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N(C)C[C@H](C)C#N)C1 410890149 PDIGYCSVNVCQPP-KGLIPLIRSA-N 388.490 -0.497 30 20 GBED C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)nn1 424923839 KNNUMQHIQKINEO-UHFFFAOYSA-N 380.430 -0.257 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1=O 440259599 LDKGLTVBYFIUSJ-ZDUSSCGKSA-N 380.426 -0.482 30 20 GBED CCCN(CCC)S(=O)(=O)N1CCN(C(=O)NCC(=O)NCC#N)CC1 511925324 YHIAUUNBGDSDJM-UHFFFAOYSA-N 388.494 -0.680 30 20 GBED C[C@@H](C#N)CNS(=O)(=O)c1ccc(S(=O)(=O)N=c2nc[nH]n2C)cc1 548117165 YUGLLBGRJWHELA-JTQLQIEISA-N 384.443 -0.524 30 20 GBED CCc1c(C(=O)NCCn2cnc(C#N)n2)cnc2c1c(=O)n(C)c(=O)n2C 552673768 HFJLFCCSAXBAKV-UHFFFAOYSA-N 382.384 -0.912 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC(N)=O)cc1 568647440 NQFHMKHPZKADLT-UHFFFAOYSA-N 388.471 -0.283 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)C1=O 577834581 RJAVELGQTJLGCO-INIZCTEOSA-N 396.451 -0.153 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1C[C@@H](O)[C@H](n2ccnn2)C1 599773545 JTYUMMATKOLWIU-ZIAGYGMSSA-N 379.384 0.489 30 20 GBED C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cn1 728962702 XWHZSMBKTNUTOE-UHFFFAOYSA-N 377.470 -0.687 30 20 GBED CSc1nc(O)c(C(=O)NCCS(=O)(=O)N2CCOCC2)cc1C#N 748097894 MWJDKJSQJUQSLF-UHFFFAOYSA-N 386.455 -0.227 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC3(CC2)CNC(=O)C3)c1=O 751931513 DALOAVDXEVXTJR-UHFFFAOYSA-N 375.429 -0.897 30 20 GBED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)[C@@H]1CCCO1 773559096 NQXRUGUQYQLZPE-GJZGRUSLSA-N 395.485 -0.075 30 20 GBED C#CCOCCNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 784540824 QMWYUKGPLLSPBM-GASCZTMLSA-N 388.490 -0.683 30 20 GBED CC#CCS(=O)(=O)NC(=O)c1sccc1S(=O)(=O)N1CCOCC1 810776894 MQAUQLUBEOEMIG-UHFFFAOYSA-N 392.480 -0.148 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 815439378 MVXGLDADWHTNSL-IYBDPMFKSA-N 386.452 -0.779 30 20 GBED CC(C)Cn1c(N)c(C(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)c(O)nc1=O 824280218 HAJJODNRZCAMDS-UHFFFAOYSA-N 384.360 -0.682 30 20 GBED C#CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)OC 839800567 VSJUUFYLTDIJFO-GFCCVEGCSA-N 384.410 -0.337 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H]2COC[C@H]2n2ccnn2)cc1 847985849 FMWQDSYCDFANDX-HUUCEWRRSA-N 376.394 -0.014 30 20 GBED CN(CCC#N)S(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)O 849232491 NRAHWVZLEOLVFH-RKDXNWHRSA-N 386.352 -0.327 30 20 GBED C#CCN1CCN(C(=O)CN2CCC(C(N)=O)(N3CCCCC3)CC2)CC1 880252232 BKHUJLIRKXGADA-UHFFFAOYSA-N 375.517 -0.430 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2ccccc2OCC(=O)OC)CC1 895920088 ZZPITXBZTZRENS-UHFFFAOYSA-N 381.454 -0.176 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 949505315 UVICVXLNKHHDIA-BHPKHCPMSA-N 390.444 -0.679 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccnc3c2CC(=O)N3)C1 969032619 GPPSOTPFIGFXFJ-RZFFKMDDSA-N 386.408 -0.531 30 20 GBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@@H]1O 969336025 FTKHHLZCSOZIHH-UKMLZYKCSA-N 389.408 -0.801 30 20 GBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)c(C#N)cn1 1044539204 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390.465 -0.474 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc(CN2CCCC2=O)n1Cc1ncn(C)n1 1574967612 WRYVTQZEUJPBNF-UHFFFAOYSA-N 395.431 -0.665 30 20 GBED C#CCOCCC(=O)N1C[C@H]2[C@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H]2C1 1588360249 MDVUTLDAWCZZJT-ZSOGYDGISA-N 383.412 -0.331 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(OC)ccc2C(=O)O)CC1 1588484080 PDXUGUSCUYJKIK-UHFFFAOYSA-N 395.437 -0.551 30 20 GBED N#C[C@]12CN(C(=O)N[C@@H]3CCCCN(CC(=O)O)C3=O)C[C@H]1CS(=O)(=O)C2 1594611955 OTEVEQYGOAAGDU-HWWQOWPSSA-N 398.441 -0.968 30 20 GBED Cn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cn1 1769015714 IPMJBSIDIKLEED-ZIAGYGMSSA-N 391.457 -0.309 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCn2cncn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c1cnc(O)nc1O)C2 1793355991 WVLZILZMIPFYBC-NRWUCQMLSA-N 392.412 -0.318 30 20 GBED N#CCCC(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804187817 SYLXEFCPACSEJI-KSSFIOAISA-N 398.423 -0.057 30 20 GBED C#CC(=O)NC[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1812529023 IKXISVPPDOMFMN-SUMWQHHRSA-N 378.392 -0.077 30 20 GBED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2c[nH]c(=O)cn2)n[nH]1 1820249198 WJRJMLCIWDMQDN-LBPRGKRZSA-N 384.352 -0.113 30 20 GBED COC(OC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1831035740 QYBYLOUOIINQDF-SFHVURJKSA-N 392.412 -0.425 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1831401504 AXPCNZQERNFJFU-KXBFYZLASA-N 379.457 -0.957 30 20 GBED CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC#N)CCO2 1835356571 DIYDWNDFMSSOTC-QUGAMOGWSA-N 385.486 -0.095 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)C1 1835735753 URWQVNWRSBWPTN-HNAYVOBHSA-N 394.472 -0.998 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccnn1)CCO2 1836213547 ADZRSFUOCRFNPO-SFHVURJKSA-N 375.429 -0.462 30 20 GBED C[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531154 XQUQAWCLMVVOLH-VVXQBARXSA-N 399.444 -0.647 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1840173661 KZETWVYBKPRKJO-YJBOKZPZSA-N 377.445 -0.053 30 20 GBED N#Cc1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)c1 264548402 SVFHJWJKNRQQBR-UHFFFAOYSA-N 382.467 -0.008 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(=O)(=O)NC)cs2)CC1 267161130 QHHYKZCTMGBUNE-UHFFFAOYSA-N 398.510 -0.447 30 20 GBED COC[C@H](C)NC(=O)NC(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C 268248520 BKWSBMAGRDTTRA-STQMWFEESA-N 375.433 -0.281 30 20 GBED Cn1cc(S(=O)(=O)Nc2ncccc2OCCCC#N)c(=O)n(C)c1=O 271944909 MWJFEKARTSNNTM-UHFFFAOYSA-N 379.398 -0.038 30 20 GBED C#CCN(CC#N)CC(=O)N(CCOC)c1c(N)n(CC(C)C)c(O)nc1=O 281523131 YDHAGQFKBOEQHN-UHFFFAOYSA-N 390.444 -0.375 30 20 GBED C[C@]1(C(N)=O)CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 297924609 URAXHWIGNMQESE-UZLBHIALSA-N 383.452 -0.053 30 20 GBED C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ncccc1C#N 349452430 ARFSQBZLOCXOMD-DGCLKSJQSA-N 388.471 -0.130 30 20 GBED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@H](C(N)=O)C2)CC1 367647713 ZDJGQHCJBWDTDJ-KGLIPLIRSA-N 377.470 -0.357 30 20 GBED Cn1cc(S(=O)(=O)NCC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cn1 368833491 IIXXLZVYOCTRBE-UHFFFAOYSA-N 375.410 -0.140 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)CC(C)(CO)CO 440673189 MXXNPOVBUUYMIC-UHFFFAOYSA-N 386.412 -0.165 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC(=O)N1CCCCC1 460597929 GGYQFAHOJSPVSJ-UHFFFAOYSA-N 395.423 0.515 30 20 GBED CCS(=O)(=O)N1CCC(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 548818453 VNOSABWRIGLICN-ZDUSSCGKSA-N 380.492 -0.893 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C2CC2)CC1 575071807 HYVGVEFJDTYWGT-UHFFFAOYSA-N 378.520 -0.292 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2C(N)=O)c1 600761724 RSTYULGUAUPSKE-GWCFXTLKSA-N 386.455 -0.485 30 20 GBED CS(=O)(=O)N1CCN(c2ccc(NC(=O)Cn3cnc(C#N)n3)cn2)CC1 610883911 ADAMAYBCJZROOT-UHFFFAOYSA-N 390.429 -0.735 30 20 GBED C=CCNC(=O)CN1CCN([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 735432815 WJELWKQMNPQIIN-INIZCTEOSA-N 384.444 -0.687 30 20 GBED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccn(C)c2)c1=O 763465608 KTFJFBNKNMLBKE-UHFFFAOYSA-N 382.445 -0.757 30 20 GBED N#Cc1ccc(CC(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 778113492 MWJXKRIVPIANEM-ZDUSSCGKSA-N 379.394 -0.343 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 785156574 HOAHXZFCUFCZAX-UHFFFAOYSA-N 383.426 -0.350 30 20 GBED O=C(O)Cn1cc(CCOC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)nn1 833271497 FEBWONXOWGQUMI-UHFFFAOYSA-N 393.381 -0.813 30 20 GBED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](O)[C@@H](CO)C1 837922740 JCSGGEUOHKUXBD-SNPRPXQTSA-N 395.481 -0.049 30 20 GBED Cc1ccc(C(=O)N[C@H]2CNC[C@@H]2C#N)cc1S(=O)(=O)N1CCOCC1 843463828 YFFZTWMADJSGJR-GJZGRUSLSA-N 378.454 -0.143 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C2CCN(C(C)=O)CC2)C1 962944639 ZVNGKWGJODGNNB-BDXSIMOUSA-N 393.484 -0.086 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)[C@H]2C1 976046146 GPBRUDWBQLIFCM-FZKCQIBNSA-N 389.456 -0.378 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(C)c(=O)nc1O 1002775382 JGWTZBFFIRFKGE-YXRJLALLSA-N 388.424 -0.061 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOC)c2)C1 1025071259 ITDGPMXMDJAFHV-VQHPVUNQSA-N 392.456 -0.188 30 20 GBED C=CCn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1 1044213722 VTDWLNOEEWYZKC-KCQAQPDRSA-N 375.429 -0.418 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(CC(=O)Nc3nncs3)C[C@@H]21 1083198892 WRPILYGUGKTSLY-ZOBORPQBSA-N 393.469 -0.021 30 20 GBED C#CCNC(=O)[C@@H](C)N1CCn2ncc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)c2C1 1128416677 LQDVTPBIEFTWFZ-IQVDAOPISA-N 397.479 -0.124 30 20 GBED Cn1c(=O)c2c(ncn2CC(=O)NCc2cccc(OCC#N)c2)n(C)c1=O 1318449304 OXSBMRMTKBPTNC-UHFFFAOYSA-N 382.380 -0.348 30 20 GBED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 1320704210 WOUQCMNCYITQTG-UHFFFAOYSA-N 377.449 -0.396 30 20 GBED COC(=O)CCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1321564487 QOJNQLBZXGBDNR-HNNXBMFYSA-N 386.408 -0.155 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CCO1 1322118343 UVOICSIVUMZGBO-KRWDZBQOSA-N 389.431 -0.185 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(F)c(S(C)(=O)=O)c(F)c1 1324966309 PDXHUGDXCOXWQE-UHFFFAOYSA-N 375.353 -0.275 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CC1 1327068837 XROMLNPRBQPKHX-OAHLLOKOSA-N 396.488 -0.456 30 20 GBED N#Cc1ccccc1N1CCCN(C(=O)C(=O)NCCN2C(=O)CNC2=O)CC1 1328867973 ZKFIAVCXFQMFOZ-UHFFFAOYSA-N 398.423 -0.735 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CC(=O)NC[C@@H]2c2ccccc2)CC1 1335164743 WBHKZEBFFOVQBW-QGZVFWFLSA-N 396.447 -0.326 30 20 GBED COC(=O)c1cn(C2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)nn1 1344599515 PLECMHZOGNTOTH-LBPRGKRZSA-N 384.418 -0.829 30 20 GBED C[C@H](C#N)C(=O)N1CCN(CCCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1573570244 MLAVRCDMGZWAJV-GFCCVEGCSA-N 385.432 -0.381 30 20 GBED C=CCNC(=O)Cn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@H]1C[C@@H](N)C1 1574937289 VQVQOGYBVLKOMY-OKILXGFUSA-N 391.476 -0.920 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)CC 1574954429 LAGCEWZEWRRBIZ-ZDUSSCGKSA-N 393.473 -0.025 30 20 GBED C=C(C)[C@@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O)OCC 1588401896 ZOKLAWTYHCYSKV-MGPQQGTHSA-N 388.432 -0.306 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCO1 1741944286 LRZLKQPILWBJTQ-AVGNSLFASA-N 384.462 -0.204 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCO[C@@H](CN(CC(=O)O)C(C)=O)C1 1776857419 IEDBOKKZRADTLW-JSGCOSHPSA-N 390.462 -0.653 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)c4c[nH]c(=O)cn4)CCO3)C2)c1 1780333842 IOQBCLYKLJOVMI-GOSISDBHSA-N 382.380 -0.273 30 20 GBED N=C(N)SCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010659 USJBDNYHIQQALY-BDJLRTHQSA-N 382.442 -0.785 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1784035991 YRFJRNSWULFQAS-SPYBWZPUSA-N 377.441 -0.619 30 20 GBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1793430735 QOVRQASWDFMRFL-BNJZYBFZSA-N 393.488 -0.441 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)CC[C@@H](N)C(N)=O)C2)CC1 1809818699 FFXKZIMXUWGHSJ-JKSUJKDBSA-N 392.500 -0.151 30 20 GBED C[C@H](C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1)n1cnnn1 1812882337 LJBAUNBDAFICLF-IFIJOSMWSA-N 397.395 -0.577 30 20 GBED C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1821871659 KBAIGXKTWKWTIO-CQSZACIVSA-N 393.469 -0.235 30 20 GBED CS(=O)(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825674369 JMSCOZIDQQAVJR-SECBINFHSA-N 399.450 -0.422 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1834758348 MIVKHKSVYAKMEF-GOSISDBHSA-N 390.396 -0.621 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1845187471 IVVDPIQOVMMJIH-GFCCVEGCSA-N 392.412 -0.703 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2 1845253850 HVVYHAPOHYEYLO-GDBMZVCRSA-N 382.461 -0.359 30 20 GBED COCCNC(=O)/C(C#N)=c1/s/c(=C/c2ccc(COC)cc2)c(=O)n1C 266104680 RARNLALJDPRBTC-LJZWSXQMSA-N 387.461 -0.141 30 20 GBED COCCN(C(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 269418616 UWYWTZPYKKAPHX-OAHLLOKOSA-N 379.438 -0.050 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCC[C@@H]1C(=O)NC1CC1)c1cc[nH]n1 276506564 ALMNWMNCUUZHCA-IKGJXOFFSA-N 377.401 -0.037 30 20 GBED C=CCCOCCNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 289473265 WIRJXAMBQLGCMM-CQSZACIVSA-N 387.444 -0.130 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)OC)C(=O)OC)c1 298133463 IFLUTCJBUUZFFS-CYBMUJFWSA-N 384.410 -0.015 30 20 GBED C[C@@H](CCN1CCN(C)CC1)/N=C(/O)N1CCCN(S(C)(=O)=O)CC1 329979551 JUCZVDXUXVUPRT-HNNXBMFYSA-N 375.539 -0.106 30 20 GBED COCCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(C#N)C1 349479410 JBUSGLXFWVDZFI-UHFFFAOYSA-N 398.466 -0.009 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@H]4CCN(C)C[C@@H]43)CC2)c1C#N 410981321 NTKUOXOMURVZED-WBVHZDCISA-N 399.499 -0.199 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 425238997 RUAYNVNMFKHIPQ-LBPRGKRZSA-N 390.491 -0.558 30 20 GBED COC(=O)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 476897378 VIJDTMAHTHZWSH-ZDUSSCGKSA-N 394.453 -0.458 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN([C@H](C)C(=O)NCCCOC)CC1 507715163 DNEWTKIRVMJTBE-HUUCEWRRSA-N 383.493 -0.455 30 20 GBED COC(=O)CN(CC#N)C(=O)[C@@H]1CCC[C@@H](C(=O)N(CC#N)CC(=O)OC)C1 508894171 FUPPIYJSQVPNCX-ZIAGYGMSSA-N 392.412 -0.157 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C 581570013 CIROLRHRIOJKFS-QWHCGFSZSA-N 381.524 -0.427 30 20 GBED CNC(=O)NC[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCO1 599385061 XIKQFAYAAVKFJD-JTQLQIEISA-N 383.386 -0.215 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nnnn2Cc2ccccc2)C1=O 726043543 WDAOUTIGSFGUCH-UHFFFAOYSA-N 384.352 -0.259 30 20 GBED C=CCOCC(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 729765978 WVFBPRNVFRBVTO-KGLIPLIRSA-N 375.443 -0.073 30 20 GBED COCCCNC(=O)CN(C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 745382904 KZXFSOZLJSAGET-UHFFFAOYSA-N 382.442 -0.664 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 757592220 SZTPWCZMRVFKRK-NWDGAFQWSA-N 377.401 -0.198 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)CC1 761031095 NHFZZJIDFBYYGY-UHFFFAOYSA-N 394.453 -0.519 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCn3c(Br)cnc3C2)CCO1 814275819 HNMRRFCRELHEEF-SECBINFHSA-N 376.236 -0.070 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N([C@H](C)CCC)C2)CC1 831556166 JDDSDXFUGODZQQ-CABCVRRESA-N 384.502 -0.365 30 20 GBED CN(C)CCN(CC(=O)N(C)C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 855695046 FAOKYOHBCLEJHM-UHFFFAOYSA-N 395.485 -0.797 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCC3)c(=O)n1C 901558111 UQMJVWPSFMOJFV-UHFFFAOYSA-N 385.445 -0.353 30 20 GBED C#Cc1cncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)c1 1025766346 SEINYOOGXSZTLM-BSDSXHPESA-N 379.420 -0.098 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1044666033 FCHORFDTFAYXGU-ZOFXXKQRSA-N 394.468 -0.291 30 20 GBED CN1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(C#N)n2)S1(=O)=O 1055223839 XCFUVWJRJSGVFL-ZOBORPQBSA-N 376.442 -0.392 30 20 GBED C[C@H]1CN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CCN1c1nccn2cnnc12 1117904314 BIVSZDBIYLTLJF-SJCJKPOMSA-N 386.391 -0.374 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)C1 1118158555 WXFTVAPOJXZKMO-QMTHXVAHSA-N 376.335 -0.467 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1ccc(OCC(N)=O)c(OC)c1)[C@@H]1CCCO1 1257241687 NBFOGLYXBTWHEG-KBPBESRZSA-N 389.408 -0.528 30 20 GBED C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1=O 1317692210 YPKOUKVAXDCXST-SUMWQHHRSA-N 390.421 -0.371 30 20 GBED C#CCSCCNC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 1321424762 DDHNCSCHVDMYFS-UHFFFAOYSA-N 390.513 -0.413 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 1324138853 NKIWQQOFJQFWEN-ZFWWWQNUSA-N 387.502 -0.034 30 20 GBED COc1ccc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)c(S(C)(=O)=O)c1 1326370373 URMRIYYIAXKYIW-MRXNPFEDSA-N 381.410 -0.086 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 1330495942 PBJMFSQQTAZGCC-AWEZNQCLSA-N 391.428 -0.274 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)COc2cccc(C(C)=O)c2)CC1 1332384865 ROKNGMZZSWYAIE-UHFFFAOYSA-N 379.438 -0.120 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCn3ncc(Br)c3C2)C1 1346994715 JIMQKTFMZWGHFF-AWEZNQCLSA-N 382.218 -0.135 30 20 GBED C[C@]1(C#N)CCCN(C(=O)C(=O)N2CCN(C(=O)N3CCOCC3)CC2)C1 1348131665 YRFPETSGTZJFFF-GOSISDBHSA-N 377.445 -0.265 30 20 GBED C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1471935342 IUYIVYOKWQNCFF-PWSUYJOCSA-N 385.467 -0.336 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)NCc2cnn[nH]2)[C@@H]1CC 1574985598 HHBUOADLAAYCKJ-BBWFWOEESA-N 387.488 -0.512 30 20 GBED C#Cc1ccc(C(=O)N2CCC(N(Cc3cnn[nH]3)C(=O)C(N)=O)CC2)nc1 1575022386 OQNBJFPJRMNBSG-UHFFFAOYSA-N 381.396 -0.700 30 20 GBED C=CCCOCC(=O)N1CCC(N(C)C(=O)CC(=O)NCc2cnn[nH]2)CC1 1575099940 GQCITGUXKDTCIM-UHFFFAOYSA-N 392.460 -0.147 30 20 GBED CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1579868199 UTGIQWWBGFVYLF-CHWSQXEVSA-N 380.372 -0.510 30 20 GBED C#CCN1CCC(C(=O)NC[C@@H](CO)Nc2ncccc2-c2nn[nH]n2)CC1 1588352043 RRCIZRYMJSKDJY-AWEZNQCLSA-N 384.444 -0.504 30 20 GBED CO[C@@]1(C(=O)O)CCN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C1 1599069973 ZJYPVTXVDPWHEA-KDOFPFPSSA-N 375.381 -0.248 30 20 GBED Cc1nc(=NC(=O)[C@H](C)n2cnc(C#N)n2)n(-c2ccc(-c3nn[nH]n3)cc2)[nH]1 1606058251 RPAOBJIYOZKJBG-VIFPVBQESA-N 390.371 -0.159 30 20 GBED C=CCO[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 1609058817 XSWDVVVLNZISGH-ZDUSSCGKSA-N 392.441 -0.052 30 20 GBED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cn[nH]c2)CCO1 1750388558 PWDPFMVRGQSAHS-UONOGXRCSA-N 391.457 -0.125 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1781395440 IKTRGQPVSXBIOO-PBHICJAKSA-N 378.433 -0.091 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1783107147 KKUGFTSTCARWTD-JCGVRSQUSA-N 378.429 -0.373 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC)NC(C)=O)[C@H]2C1 1783578231 QIXOFQQFBUBUFE-HILJTLORSA-N 393.484 -0.081 30 20 GBED CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786698017 JZYBCBWQXFUNSG-IHRRRGAJSA-N 393.513 -0.246 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)NS(=O)(=O)CC 1793529206 JLKGDFUUBHOASO-NPJQDHAYSA-N 399.513 -0.009 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1794084349 MIPCGBHSCUPOFI-YIYPIFLZSA-N 376.413 -0.785 30 20 GBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccs1 1794116344 PUMNCGXTIUSTHN-DRXBFXEBSA-N 376.438 -0.019 30 20 GBED Cn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)cc1O 1794324239 AVVRGBNJSXLDBG-DRXBFXEBSA-N 384.396 -0.158 30 20 GBED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(=O)n3[nH]nnc3n2)CCC1 1796573703 GOCXFWYODJMJGA-ZSBIGDGJSA-N 396.411 -0.242 30 20 GBED N#CC1(C(=O)N[C@H]2CCc3nc(NC(=O)CC[C@H](N)C(N)=O)sc3C2)CC1 1815056022 IOZPRXSRLOCUOR-UWVGGRQHSA-N 390.469 -0.048 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1831397141 URFXBOZQOCMYFO-SCLBCKFNSA-N 393.396 -0.512 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1831421188 GJUQLWDZPZHEBK-ZRGWGRIASA-N 395.456 -0.688 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1831425479 UWCTWPSJZISMTK-FZKQIMNGSA-N 394.428 -0.224 30 20 GBED Cn1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)n1 1836059058 DVIDRFYBCFYENF-GOSISDBHSA-N 375.429 -0.277 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1837402812 FLOVCVVUNASLKG-AUUYWEPGSA-N 397.472 -0.719 30 20 GBED C[C@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838734815 LZVUUNJXRSLPSN-ACJLOTCBSA-N 375.429 -0.449 30 20 GBED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840156082 IAHZXNXGZDHGSY-RVSPLBMKSA-N 387.502 -0.324 30 20 GBED C/N=C(/NCC1(N(C)C)CCOCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 261726399 IXGMVJOQVORLMX-GOSISDBHSA-N 394.520 -0.017 30 20 GBED CC/N=C(/NCC(=O)N(C)C)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 262325409 TUAFUJPXPMWBTM-AWEZNQCLSA-N 389.522 -0.834 30 20 GBED COCCc1nnc(SCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)n1N 271693902 QZTIJRWVHMEMKG-CYBMUJFWSA-N 381.506 -0.035 30 20 GBED C#CC[C@@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)[C@H]1CCS(=O)(=O)C1 290841380 IHLNKMGMJFXMSO-HOTGVXAUSA-N 398.506 -0.156 30 20 GBED CC#CCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 293549723 UFGJLASEGZOKBE-UHFFFAOYSA-N 392.437 -0.773 30 20 GBED CCOC(=O)COCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 295831357 ZFMYDTRUPPHECD-GFCCVEGCSA-N 383.426 -0.079 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCS(=O)(=O)c2ccccc2)C1=O 299590021 VGJAXEYPTREDNZ-UHFFFAOYSA-N 393.421 -0.057 30 20 GBED CC1(C#N)CN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@H]2C#N)C1 349474712 KGDTVXUJJFTRPU-GFCCVEGCSA-N 392.528 -0.177 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCc2c[nH]nc2C1 349475327 MJMRPEMZXUTPDK-UHFFFAOYSA-N 375.476 -0.337 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C)C[C@H]1C 349478528 SJWWNMUJGSZFGU-NEPJUHHUSA-N 380.492 -0.910 30 20 GBED CO[C@@H]1[C@H]2C[C@@H]3CN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)[C@H]1[C@H]3C2 349480006 MERAQMWJGKOIKW-AIEDFZFUSA-N 391.515 -0.153 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCc3c[nH]nc3C2)CC1 349611801 HRASIUHRIFMYQO-GFCCVEGCSA-N 387.487 -0.448 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC)C1 366722194 UCGYHYFSTXUXBP-LBPRGKRZSA-N 383.401 -0.074 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN([C@H](CC)C(=O)OC)CC2)C1=O 410882213 GWRJDUUMJDNMCK-HUUCEWRRSA-N 394.472 -0.673 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@H]3CNCCO3)C2)c(F)c1 418856373 OYLULSHBALFYDR-LSDHHAIUSA-N 389.431 -0.113 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NC[C@H](N2CCNCC2)C(F)(F)F)nn1 424551968 XFRUQHYYGRPOMG-LBPRGKRZSA-N 389.382 -0.967 30 20 GBED COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1 491375698 OCVYUSPLAMADRK-ZDUSSCGKSA-N 396.425 -0.699 30 20 GBED CCn1cc(C#N)c(=O)n(Cc2nc(N)nc(=Nc3ccccc3OC)[nH]2)c1=O 514433343 LNMGCFLYXNBIOF-UHFFFAOYSA-N 394.395 -0.109 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1=O 551472121 NRHCHGJHTLSMSA-HOTGVXAUSA-N 379.505 -0.769 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 568413070 SQFWAZMUZGFICR-NSHDSACASA-N 386.455 -0.612 30 20 GBED N#Cc1ccc(N2CC[C@H](C(=O)NCCOCCS(N)(=O)=O)C2)c(F)c1 598736106 ZVMJVRCURCQMPE-ZDUSSCGKSA-N 384.433 -0.055 30 20 GBED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)CC)cc1 606015313 VEVDPCCTNGBMRC-UHFFFAOYSA-N 397.457 -0.012 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](N3CCOCC3)CC2)C1=O 670393978 OWRUUAJWXBGZSQ-CQSZACIVSA-N 378.429 -0.324 30 20 GBED Cn1c(=O)c2ccc(C(=O)O[C@@H](C(N)=O)c3ccc(C#N)cc3)nc2n(C)c1=O 734574818 UTCDPNNTWNVNLJ-CQSZACIVSA-N 393.359 -0.113 30 20 GBED C#CCN(C(=O)COc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCS(=O)(=O)C1 735374078 BBIKVNUVNUMPJE-CYBMUJFWSA-N 375.410 -0.106 30 20 GBED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(C=C)c2)c1=O 772278025 OMBWRTRNHNYQEX-UHFFFAOYSA-N 385.449 -0.342 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCC3(C)OCCO3)CC2)c1C#N 806377568 OMKLGOSWMJWQKF-UHFFFAOYSA-N 390.444 -0.482 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2ccc(-c3nn[nH]n3)cc2OC)c1=O 823937287 QANOEIGBAQZENY-UHFFFAOYSA-N 397.395 -0.219 30 20 GBED CC1(CCNS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)OCCO1 848942193 AAYYHSUVFQXCLQ-UHFFFAOYSA-N 389.455 -0.080 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](O)C[C@@H]1C 848956149 KWHMDLJYTONZCR-UONOGXRCSA-N 397.478 -0.022 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c(C)ncnc2O)C[C@@H]1O 964518854 LLDQJVKDHDVKEH-XFMPKHEZSA-N 376.413 -0.227 30 20 GBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2c(O)nnc2O)c1 999030959 UDUYAUSMWMQQSV-RDBSUJKOSA-N 382.380 -0.373 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)CN1CCOCC1=O)C2 1008390246 SZMNEEHDIIGQGY-QOIOWGMHSA-N 391.468 -0.066 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@H]1O 1023942618 GVFRADYOXRRDGP-LHHMISFZSA-N 376.457 -0.060 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2noc3c2COCC3)C[C@H]1O 1025711153 HOGNIVMKPBURLU-ZRJCITRHSA-N 377.397 -0.360 30 20 GBED N#Cc1cncc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2cc(=O)n3[nH]cnc3n2)n1 1055066284 CPBLGRRFFAOLEE-MDZLAQPJSA-N 377.368 -0.381 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1074603808 ZNYMZBJNFAEZLA-KBXIAJHMSA-N 379.457 -0.441 30 20 GBED C[C@@]12CN(CC(=O)NCC#N)C[C@@H]1CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@@H]31)C2 1101307296 HFVANWRMJCPCSC-QHNLCMDKSA-N 376.457 -0.542 30 20 GBED COCC#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2OCC[C@H]2C)n1 1130237786 DPMKLUSITQVECC-AESZEHBQSA-N 391.472 -0.042 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 1193086137 UWYQFQPUHSZDSG-YIDVYQOGSA-N 376.457 -0.238 30 20 GBED N#CCc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1318951072 IOLGQHPPHHWSPU-CYBMUJFWSA-N 385.467 -0.276 30 20 GBED C=CCOC[C@H](NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)C(=O)OC 1321260554 RZWAIVWCKSJROS-ZDUSSCGKSA-N 389.416 -0.404 30 20 GBED C#CCNC(=O)C1CCN(c2nnnn2[C@H]2CCN(CC(F)(F)F)C2=O)CC1 1337413242 KJVMNIYPBBCMQQ-LBPRGKRZSA-N 399.377 -0.025 30 20 GBED C#CCOCCn1nnnc1N1CCN(S(=O)(=O)c2ccccc2)CC1 1344583799 KSOLSBVGYFWEGG-UHFFFAOYSA-N 376.442 -0.166 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2cc(C)ncc2-c2nn[nH]n2)C[C@H]1OC 1573287994 QYFXBTBHMIFWRV-JGGQBBKZSA-N 385.428 -0.072 30 20 GBED C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CNC[C@@H]2C1 1574746900 RWWVGJRTXOWBSD-MELADBBJSA-N 398.558 -0.090 30 20 GBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)CCOCc2cnn[nH]2)C[C@H]1C 1575004278 CUACAJBHNSNOMJ-RBSFLKMASA-N 376.461 -0.467 30 20 GBED C[C@@H]1C[C@@H](NCC(=O)NCC#N)CN1C(=O)C1CCN(Cc2cnn[nH]2)CC1 1576054683 DCDSKCGXLOEUHE-UKRRQHHQSA-N 388.476 -0.765 30 20 GBED CCN(C)C(=O)Cn1c([C@@H]2COCCN2)nnc1N(CCC#N)CCOC 1577651695 CKOWBJBLKLPBDF-AWEZNQCLSA-N 379.465 -0.216 30 20 GBED N#CCC(=O)N1CCN(S(=O)(=O)Cc2csc(-c3nn[nH]n3)c2)CC1 1581856952 KPDZKOMQZWGTKN-UHFFFAOYSA-N 381.443 -0.184 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588351450 VANCLTQIHVNNIS-DOMZBBRYSA-N 382.428 -0.377 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NCC[C@H](C)N=c1cc[nH]c(-c2nn[nH]n2)n1 1588404197 FKILODJWDVPLKY-AAEUAGOBSA-N 387.448 -0.144 30 20 GBED C[C@H](CC(=O)O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1592410720 NUEKKYXLGZASSC-CYBMUJFWSA-N 394.453 -0.156 30 20 GBED Cn1cc(-c2nn[nH]n2)c(=O)n(CC#CCN2C(=O)c3ccccc3C2=O)c1=O 1592558140 PXMCODAHSVONEU-UHFFFAOYSA-N 391.347 -0.973 30 20 GBED C[C@H]1CN(CCC(=O)O)CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1594515414 ODKOPHXMKFARPK-LBPRGKRZSA-N 394.453 -0.268 30 20 GBED Cn1cc([C@@H]2C[C@H](C(=O)O)CN(S(=O)(=O)N3CCO[C@H](C#N)C3)C2)cn1 1594533611 BCSUJEWGXXKUBC-MBNYWOFBSA-N 383.430 -0.621 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(-c3nn[nH]n3)c(C)n2)CC1 1602722259 IVOLMCFZNQPHJG-UHFFFAOYSA-N 382.428 -0.533 30 20 GBED NC(=O)C[C@H]1COCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1626698659 PPMJIUNZSCHHQI-NSHDSACASA-N 380.426 -0.782 30 20 GBED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CC2)C1 1771363048 QYBOZFLCFPLIFV-UONOGXRCSA-N 396.473 -0.250 30 20 GBED O=C1CC(C(=O)N2CC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)=NN1 1778939023 HOPCWSHIUWDXHO-KDCXGNEQSA-N 387.396 -0.596 30 20 GBED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C2 1782181461 OJFLHBUUJBATCH-APNQJHFZSA-N 386.518 -0.589 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1783562753 RDAMGTZPOXOZLH-QGZVFWFLSA-N 390.421 -0.513 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1783564772 MISZEYGFLQLAEU-JXFKEZNVSA-N 384.388 -0.092 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1784479712 GHLLRYDBUSSWQY-OWSLCNJRSA-N 393.484 -0.663 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccncn3)[C@H]2C1 1787565460 NPQLDGJWEVIJGL-RZXAPVBSSA-N 399.451 -0.072 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)CC(N)=O 1793657247 BVQOJMSDGZFXCU-UFSHFBDQSA-N 376.457 -0.006 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC)C(=O)O 1795641193 JACHGLHMPBVESC-USRAEIGSSA-N 383.445 -0.770 30 20 GBED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cnnn2)c1 1795859434 DGZZIEYNNGVHJR-ALXJQNPVSA-N 395.423 -0.243 30 20 GBED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cnnn2)C3)c1 1799745451 MFZKQYTZYHITCV-FVCICTRLSA-N 399.386 -0.413 30 20 GBED COC(=O)NCC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812882971 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COc1ccc(CN2CC[C@@H](NS(=O)(=O)N3CCO[C@@H](C#N)C3)C2=O)cc1 410125375 ZIDCTNFPTFMDMO-JKSUJKDBSA-N 394.453 -0.145 30 20 GBED C=CCNC(=O)CNC(=O)[C@H]1[C@H](C)CC(=O)C[C@H]1C(=O)NCC(=O)NCC=C 468406802 BGOSMZZJMZLACB-MRRJBJDNSA-N 392.456 -0.945 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCn3cccn3)CC2)c1C#N 515406385 SJSPCIPBNYPWRK-UHFFFAOYSA-N 384.444 -0.348 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)nn1CCC#N 537382054 AYVHHWOLVHJRMM-LBPRGKRZSA-N 382.446 -0.464 30 20 GBED Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCC(=O)NCC#N)C1 557784935 RQMIMNUACIDILJ-GFCCVEGCSA-N 383.430 -0.552 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2COCCO2)cc1 565227646 ACDXAOKEEIXEIA-LBPRGKRZSA-N 389.455 -0.476 30 20 GBED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(=O)OC)C1 567254032 YKOUGALROIOYCZ-NWDGAFQWSA-N 387.462 -0.157 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 603661673 HFOQTQUEVXUSAS-ZDUSSCGKSA-N 395.485 -0.144 30 20 GBED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 609358039 ZTIRZXOOJLCKKU-UHFFFAOYSA-N 389.387 -0.167 30 20 GBED COC(=O)Cc1nc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)n[nH]1 609834962 XRXMRZMVZKYVHE-UHFFFAOYSA-N 392.397 -0.117 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCCN1S(C)(=O)=O 610704932 FABMBCWLMLLXQM-JSGCOSHPSA-N 378.458 -0.191 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1 646952107 YUPRVNPLMGDDDF-GFCCVEGCSA-N 383.426 -0.104 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(OC)ccc2OC)CC1 728759599 ZROYVUJGYJSHCY-UHFFFAOYSA-N 388.424 -0.464 30 20 GBED C#CCN1CCN(C(=O)CN(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 748817267 LUTLGONQYHYWHH-SJORKVTESA-N 383.514 -0.568 30 20 GBED Cc1cc(C)c2c(c1)C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)N2 771898071 TUJKMYFHEBZNIE-UHFFFAOYSA-N 391.409 -0.664 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(C(=O)O)c1 771899036 WSEZKBPDIRYKNA-UHFFFAOYSA-N 380.382 -0.515 30 20 GBED N#CCCCS(=O)(=O)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 776116619 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Cc1nnc(COCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)s1 1109490517 ZHWJJCVYYJIFOV-AGIUHOORSA-N 378.458 -0.276 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)NC(=O)C1(C)C 1111226793 UOQSIQJERMMJHT-UPJWGTAASA-N 377.445 -0.660 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(=O)NCC#N)O1 1228576523 XLZRIPFBCHILQN-TUVASFSCSA-N 379.461 -0.721 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCOc1cccnc1 1257605077 VNZYEDJLCPCYOZ-AWEZNQCLSA-N 395.423 -0.024 30 20 GBED CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)NCCCC#N)cn2)CC1 1320049830 OYXKHUYWRJRRDQ-UHFFFAOYSA-N 394.457 -0.478 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCn2c(=O)oc3ccccc32)C1=O 1322554156 FZWZQRJCYIKRCU-CQSZACIVSA-N 386.408 -0.044 30 20 GBED N#C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)C1 1341767665 YVKHNYPMZLGCHB-IAGOWNOFSA-N 377.489 -0.339 30 20 GBED C=C(C)Cn1c(CNS(=O)(=O)CC)nnc1N1CCN2CCOC[C@H]2C1 1343299574 RHQKRGJATLYKAG-CQSZACIVSA-N 384.506 -0.186 30 20 GBED Cn1cc(N2CC[C@H](NC(=O)C(=O)NCCc3ccc(C#N)cc3)C2=O)cn1 1350768845 HRYZCKVSORJEGG-INIZCTEOSA-N 380.408 -0.128 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)C1 1353828494 YIQUAMZVKGDDGY-CRAIPNDOSA-N 381.452 -0.637 30 20 GBED C=CCOCC(=O)N[C@H](C)[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1573343774 SHTBTGYYMCKVDE-BXUZGUMPSA-N 389.416 -0.257 30 20 GBED C[C@@H](C#N)C(=O)N1CCC([C@H](C)NC(=O)CC(=O)NCc2cnn[nH]2)CC1 1575175565 BNKRKUCOFXYEDE-RYUDHWBXSA-N 375.433 -0.286 30 20 GBED C[C@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)C1CCN(Cc2cnn[nH]2)CC1 1575579705 WXFLZCUTYIJZLQ-CYBMUJFWSA-N 383.460 -0.035 30 20 GBED O=C(NCC#CCO)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 1582337300 GMBSQGYIKJCSJO-UHFFFAOYSA-N 398.383 -0.058 30 20 GBED C#C[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2cnccc2-c2nn[nH]n2)CC1 1588331769 DAJVVOQJXDRQRM-AWEZNQCLSA-N 394.439 -0.075 30 20 GBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C 1588353162 IZFZWMUIKJYNHC-JHJVBQTASA-N 384.444 -0.370 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588405553 OHOXFIKBUJWGAU-CQSZACIVSA-N 386.416 -0.394 30 20 GBED C=CCOCC(=O)NC[C@H]1COCCN1c1cc(-c2nn[nH]n2)nc(CC)n1 1588676391 SIEGIEMWNBZENK-LBPRGKRZSA-N 388.432 -0.257 30 20 GBED C=C[C@](C)(O)CC(=O)NCCN1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 1602791759 AODFBXJPMKNUCH-SFHVURJKSA-N 386.460 -0.173 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(-c3nn[nH]n3)cn2)CC1 1602864180 YEQWGKPGSVTPMV-UHFFFAOYSA-N 385.432 -0.609 30 20 GBED Cc1c(C#N)c(=O)n(CC(=O)Nc2ccccc2SCC(N)=O)c(=O)n1C 1614781190 QOIDMRDJRYOIKI-UHFFFAOYSA-N 387.421 -0.057 30 20 GBED N#C[C@@H]1C(CN2CCN(CC(N)=O)C(=O)C2)=CC(=O)n2c1nc1ccccc12 1646112661 NEWUTGORMRNIBJ-CYBMUJFWSA-N 378.392 -0.147 30 20 GBED COCCN(C)CCN1C[C@H](NS(=O)(=O)c2ccc(C#N)nc2)CC1=O 1670969244 JDEPTBGZFDQADB-CQSZACIVSA-N 381.458 -0.589 30 20 GBED N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCOC2)CCO1 1771536528 WFHRCOLXJWDGKR-DYVFJYSZSA-N 376.417 -0.606 30 20 GBED COC(=O)CCN(CC(=O)O)S(=O)(=O)CCOC1(C#N)CCOCC1 1777104724 QVQSWEUKJSDFFV-UHFFFAOYSA-N 378.403 -0.645 30 20 GBED O=C(C#CC1CC1)N1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777824974 BYBJSJQWCJGXCQ-IBGZPJMESA-N 380.408 -0.019 30 20 GBED CN1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)CC1 1778266076 GCRIGYMFSGXBSM-FQEVSTJZSA-N 389.500 -0.242 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1778969461 MFZAIXVFBBGOCN-KDOFPFPSSA-N 377.445 -0.319 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](CC)NC(N)=O)CCO2)C1 1778971308 NDIAYJRJTCAGML-CKFHNAJUSA-N 396.488 -0.164 30 20 GBED Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)n[nH]1 1779463878 IFEBRUOHJKUYRL-DNVCBOLYSA-N 388.424 -0.137 30 20 GBED CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)S)C1)C(=O)O 1782181424 MPJNBKLOTHOIFH-HPTBWKMGSA-N 387.502 -0.119 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4nccn34)C2)C1 1782362615 YTZVBWGXRFKWRC-IBGZPJMESA-N 382.376 -0.134 30 20 GBED CCOC(CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)OCC 1783567273 LRZSFVBTRIXAST-SFHVURJKSA-N 382.413 -0.307 30 20 GBED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2 1783887349 YHGAZRIFQLOXIU-TYNCELHUSA-N 378.516 -0.185 30 20 GBED C[C@H](Oc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1784491367 OAIGIZCHCALBBO-IFXJQAMLSA-N 387.392 -0.233 30 20 GBED C[C@@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786859566 PNASOGULDDPBIF-UGUYLWEFSA-N 393.488 -0.618 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cncn3)[C@H]2C1 1791611742 IWZLMZLBFMSNQU-XAJHFOFHSA-N 389.456 -0.143 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1C 1794584187 VYFBQWOILHTIQB-ZXFNITATSA-N 387.436 -0.373 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOC2=O)C3)CCC1 1801977726 VHFQSWZHGSIRBN-AGGWBTHJSA-N 376.413 -0.278 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CNC(=N)N)[C@H]1c1cccnc1 1803543933 OTKDMPUVERSHNI-UNEWFSDZSA-N 386.456 -0.391 30 20 GBED CCS(=O)(=O)CC(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1805967598 GTJJHGBEMADXAD-UHFFFAOYSA-N 384.454 -0.260 30 20 GBED N#CCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1806282764 VGTDEGNCKYPUAH-CGTJXYLNSA-N 387.440 -0.348 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1808259191 PUXKMPIJYFBQHS-BSWAZPDLSA-N 375.473 -0.036 30 20 GBED Cc1nn[nH]c1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812879050 OXPISOBOUBESQN-CXAGYDPISA-N 382.380 -0.084 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064003 BVMHHKHISJOTNS-SCLBCKFNSA-N 380.445 -0.483 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)C4CC(O)C4)CCO3)C2)CCC1 1830592335 PWZRSGMUGWCEIU-ZOJXTTQQSA-N 377.441 -0.092 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1831421341 IIHXAVHEZLGEAX-KDOFPFPSSA-N 393.444 -0.524 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1831421968 XLRUDRKPDYHRCG-DNVCBOLYSA-N 398.456 -0.013 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1831616248 STXAENPIXWXINE-DNVCBOLYSA-N 379.457 -0.242 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(F)(F)F)CCO2 1835328869 BPKSAKWZEHWUPZ-OAHLLOKOSA-N 392.330 -0.127 30 20 GBED O=C1CC(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)=NN1 1844223762 SDWQPSWAMLQYGV-QANDDYDISA-N 377.401 -0.405 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC(=O)NCc2ccccc2)c1=O 6112948 CZWQSNMVYHQTHJ-UHFFFAOYSA-N 399.407 -0.430 30 20 GBED N#CCCCOc1cccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c1 275879716 FWSUHKSQZAMDMD-AWEZNQCLSA-N 399.407 -0.523 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1=O 298016617 ZUQHQKNMXMBAEG-MRXNPFEDSA-N 396.451 -0.153 30 20 GBED CCN1CCN([C@@H](C)C/N=C(/O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 329286158 OPRBVGMFCLSFQI-ZDUSSCGKSA-N 388.472 -0.037 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(/C(O)=N/[C@@H]1CCN3CCCC[C@@H]13)C2 329817372 WPJUVQWMXLOHAP-KGLIPLIRSA-N 391.476 -0.511 30 20 GBED C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCN1CCO 331186297 IVNKZGGOZQIRFC-CQSZACIVSA-N 380.470 -0.296 30 20 GBED CC(=O)N=c1cc[nH]cc1NS(=O)(=O)CCCS(=O)(=O)NCCC#N 349593830 QPBBDWFABLFDAZ-UHFFFAOYSA-N 389.459 -0.573 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 366294278 BSFIDWZTYDHTDM-ZWNOBZJWSA-N 391.413 -0.662 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)CCO1 410149839 KBPNRJGQGFFYNS-OAHLLOKOSA-N 380.426 -0.381 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@@H]3CNC(=O)C3)C2=O)cc1 422390986 STERCTGFYSMSEK-DZGCQCFKSA-N 383.408 -0.578 30 20 GBED C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424507233 NAKLXRUHQZMZNM-AWEZNQCLSA-N 380.422 -0.089 30 20 GBED CCCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CC(=O)N(C)C1=O 562207621 NLJSGGNFZJHSHJ-CQSZACIVSA-N 392.437 -0.168 30 20 GBED COc1cnc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)nc1 565079908 RPCZABVAXKQASD-NSHDSACASA-N 382.384 -0.177 30 20 GBED C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 574923857 DCMZXFZZMKCZDJ-ZDUSSCGKSA-N 378.454 -0.229 30 20 GBED C=CCn1cc(CNC(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)nn1 583318936 PQDRUJWBDSCKON-OAHLLOKOSA-N 391.476 -0.461 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CC1 588128107 YVXHGIFKOGISRA-IAGOWNOFSA-N 377.489 -0.150 30 20 GBED COC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(C#N)cc1C(=O)OC 593540670 GFQQAJOGYBRQPH-UHFFFAOYSA-N 384.366 -0.318 30 20 GBED CCC[C@@H](C)C(=O)NCCNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 599067124 AXKYNUBKLHNIQM-LLVKDONJSA-N 376.417 -0.061 30 20 GBED CC#CC[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 649187887 ZGJMTVHBIRMRMD-QWHCGFSZSA-N 379.438 -0.423 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)CC1 728532753 IYUOSFIGLMNUPE-UHFFFAOYSA-N 379.420 -0.260 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1C(=O)CCC1=O 733778333 UPZWJMQWTMCEQY-UHFFFAOYSA-N 378.410 -0.620 30 20 GBED COC(=O)CN(CC#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 737858578 XJMMYWWDOYLXKS-UHFFFAOYSA-N 399.400 -0.015 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CN2CCN1CC2 746907418 YSVMEXOXLNYKAS-ZDUSSCGKSA-N 377.470 -0.769 30 20 GBED C[C@@H]1CCS(=O)(=O)CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 762512625 KKWPZUDAPBZYKL-LLVKDONJSA-N 385.467 -0.239 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3NC(=O)O[C@@H]3C)CC2)o1 786063091 JVKBNUMSBJIRFM-RNCFNFMXSA-N 377.357 -0.457 30 20 GBED C[C@H](C(=O)NS(=O)(=O)c1cccc(-c2nnnn2C)c1)n1cnc(C#N)n1 798818482 USQXXRIQFAOVGG-SECBINFHSA-N 387.385 -0.594 30 20 GBED C#CCCS(=O)(=O)NC(=O)Cc1c(C)nn(-c2cncc3nnnn23)c1C 810784468 GVRBDWYKWIZHBC-UHFFFAOYSA-N 388.413 -0.666 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCn3c(Br)cnc3C2)CCO1 814275820 HNMRRFCRELHEEF-VIFPVBQESA-N 376.236 -0.070 30 20 GBED C#CC[C@@H](CO)NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 820070053 PQFUWVDXUCQVAS-HNNXBMFYSA-N 396.465 -0.241 30 20 GBED N#Cc1cc(F)ccc1CS(=O)(=O)NCCS(=O)(=O)N1CCOCC1 830306756 HHMDFROINMKQKC-UHFFFAOYSA-N 391.446 -0.221 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(F)cc(C(=O)O)c2)CC1 833365804 SFTDTRLXDDFSGZ-UHFFFAOYSA-N 397.428 -0.030 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)cc1 855472268 XVZDEMXEAGQGSD-UONOGXRCSA-N 386.451 -0.860 30 20 GBED C#CCNC(=O)CN1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 856728887 LAEMIBJABMVHEJ-UHFFFAOYSA-N 389.416 -0.907 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 872514867 BPJZVFYADRLSTI-UHFFFAOYSA-N 379.410 -0.261 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2CCNC(=O)C2)cn1 1004919984 NBLXAGGEPTZCMN-ZACQAIPSSA-N 381.436 -0.644 30 20 GBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2O)c[nH]1 1023465658 BOSYHYAZFFEXPE-TUVASFSCSA-N 389.412 -0.999 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(O)nn2)C[C@H]1O 1023907834 NSNNPSIPNIPACO-DCDXPUDHSA-N 376.413 -0.145 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ncccc2OC)C1 1025226213 OWYMMGHROVJTBS-MIGQKNRLSA-N 375.425 -0.088 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(CC(=O)NC)no2)C[C@H]1OC 1082150965 VACZKNANQPVSSV-YIYPIFLZSA-N 393.444 -0.735 30 20 GBED CNC(=O)C1CCN(C(=O)CN2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@H](C)C#N)CC1 1109090120 GEUKTEVVLJDDHR-OJLVUWQFSA-N 375.473 -0.148 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C)nn1-c1ccc(C)nn1 1116667593 JHEHVLFWROXXNA-UHFFFAOYSA-N 392.441 -0.065 30 20 GBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1121376764 MCWMBLAVXOEPFJ-OAHLLOKOSA-N 387.488 -0.188 30 20 GBED COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)NCc2ccc(OCC#N)cc2)CC1 1322721965 GUQVNWHYXGNOOM-INIZCTEOSA-N 389.408 -0.022 30 20 GBED Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2=O)n(C)n1 1330407993 GWRGBGADVJKHTN-HUUCEWRRSA-N 399.455 -0.851 30 20 GBED C#CCNC(=O)[C@H](C)NCC1(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCC1 1573285633 JWWFGMHNWKTTNO-LBPRGKRZSA-N 384.444 -0.035 30 20 GBED C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN 1574485504 DHHLKZMJXIGRKW-KGLIPLIRSA-N 384.506 -0.192 30 20 GBED C#CCNC(=O)CN1CCC2(CC1)CN(C(=O)CCCc1cnn[nH]1)CCO2 1575004662 IEIDCCYMUAEQKH-UHFFFAOYSA-N 388.472 -0.430 30 20 GBED C[C@@H](OCc1cnn[nH]1)C(=O)N(CCO)C1CCN(C(=O)C#CC2CC2)CC1 1575733406 WVQDQHPYNXCIIQ-CQSZACIVSA-N 389.456 -0.065 30 20 GBED N#CCSCC(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F 1581858814 WYHBCZMDYAAQRZ-GFCCVEGCSA-N 379.421 -0.171 30 20 GBED C#Cc1cncc(C(=O)N(C)C[C@@H](O)CNc2cnc(-c3nn[nH]n3)cn2)c1 1588376291 DKXDIPMGUMPPJH-ZDUSSCGKSA-N 379.384 -0.422 30 20 GBED C#Cc1cncc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)c1 1588380955 QNPXWMUSMZESBB-CQSZACIVSA-N 391.395 -0.332 30 20 GBED Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)NC[C@@H]1CN(CC(C)C)CCO1 1592334962 JJWFGYABSYWUGD-CYBMUJFWSA-N 387.448 -0.284 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1nnc2c(=O)[nH]ccn12 1592665599 HYKOPYRNIJJCCT-GFCCVEGCSA-N 390.367 -0.404 30 20 GBED C#CCNCc1cn([C@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nn1 1602726390 QWRBJXYXEAYTPE-AWEZNQCLSA-N 380.416 -0.014 30 20 GBED C#CCOCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccc(-c3nn[nH]n3)nn2)C1 1602727073 KORSJJKCOLOFIX-TZMCWYRMSA-N 386.416 -0.276 30 20 GBED C=CCOC[C@H](NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C)C(=O)O 1602912706 BHNZHJWIULLTLC-NSHDSACASA-N 376.369 -0.674 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2csc(-c3nn[nH]n3)c2)c(=O)n1C1CC1 1604872818 YTCHZKZTHSXBQY-UHFFFAOYSA-N 399.461 -0.265 30 20 GBED COC(=O)[C@H]1CSCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1634920616 JEXHPGDKNPAOJV-CYBMUJFWSA-N 383.451 -0.046 30 20 GBED CC(=O)N(CC(=O)O)C[C@@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CCO1 1776202071 XLOUSHCHPOJOOP-WCQYABFASA-N 376.435 -0.901 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1778781478 DXVLTWGXEOJXRP-PXAZEXFGSA-N 380.401 -0.815 30 20 GBED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CC(=O)NC1=O)C2 1782175294 RDCDXNNQMOIDAV-XWCIJXRUSA-N 398.485 -0.630 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783158666 IXPFWHGJOCETLM-IFXJQAMLSA-N 391.472 -0.766 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(C)n3)C[C@@H]21 1784479147 YSZMTBMDORWEED-QPSCCSFWSA-N 375.429 -0.553 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]n3)[C@H]2C1 1787222839 VSJHQDXQZBNCQY-IHRRRGAJSA-N 391.428 -0.093 30 20 GBED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)N4CCOCC4)[C@H]3C2)C1 1788644817 FECHZKIBSMAZDI-VERUCKTNSA-N 393.484 -0.417 30 20 GBED Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)cn2[nH]cnc(=O)c12 1789176409 GBIATGVOZMKVGU-QEJZJMRPSA-N 398.423 -0.162 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C2 1793340316 ROBCQXHDRLLNEI-HNKHHVNMSA-N 379.457 -0.471 30 20 GBED C[C@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795411951 AKMVKXUZIUXYHH-DJZPMSPPSA-N 379.413 -0.504 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)[C@H](C)CC 1795544354 NJZAUFBQTOLQOS-WIPKMBSCSA-N 392.500 -0.192 30 20 GBED Cn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c2c1CCC2 1800778438 WZMKGJOJKFDURF-DPIQGUFMSA-N 386.408 -0.800 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1810823523 MMKNBXVMSRLZFS-ZDUSSCGKSA-N 378.429 -0.248 30 20 GBED N=C1NCCN1CC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812876126 CAMWPITYFUSODF-KSSFIOAISA-N 398.423 -0.985 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1829710834 LHLRIBDGVZNKNE-GOSISDBHSA-N 396.513 -0.205 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830048971 RNIWJJXLPDMGHC-WBMJQRKESA-N 388.490 -0.968 30 20 GBED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835127027 CUHYNHVJJSKTPO-VCBZYWHSSA-N 379.457 -0.066 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccccn1)CCO2 1836194163 WTZXNUSRJXACNA-LJQANCHMSA-N 387.392 -0.832 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837249546 GZCIUCLFTSNOQD-VOFKWLDRSA-N 390.440 -0.419 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1837402194 FONPLHMACYVJIS-KUHUBIRLSA-N 394.424 -0.896 30 20 GBED Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1838531482 MWBOCWRXEBUPLU-LJQANCHMSA-N 388.424 -0.241 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)[C@H]1CCC(=O)NC1)C2 1842918669 JYNFANOXIBEMGI-AWEZNQCLSA-N 375.473 -0.002 30 20 GBED COc1cc(C=NN2CC(=O)NC2=O)ccc1OCC(=O)N1CCOCC1 254488795 IYPVLAWATVWDNP-UHFFFAOYSA-N 376.369 -0.182 30 20 GBED N#Cc1ccc(CNC(=O)CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 265388661 SXWRVBDGHKHPCS-IRXDYDNUSA-N 392.481 -0.738 30 20 GBED N#CCCN(CCN1CCOCC1)CC(=O)Nc1ccc(S(N)(=O)=O)cc1 268504515 PQLIUYVABVRKBS-UHFFFAOYSA-N 395.485 -0.180 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nnc(S)n1C 268806897 HYUSSHZZQNBYAX-SECBINFHSA-N 380.455 -0.041 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CC(=O)N(C4CC4)C3)CC2)nc1 286998645 QUOTXJUOJYXNRA-OAHLLOKOSA-N 396.451 -0.271 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCCn2cc(CO)nn2)cc1 290590509 MHFKNWFDCARPGD-UHFFFAOYSA-N 377.426 -0.498 30 20 GBED Cn1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@](F)(C#N)C2)n1 348341993 IUNMMVWJHRPXPV-LLVKDONJSA-N 380.427 -0.786 30 20 GBED Cc1ncc2c(n1)CC[C@@H](NS(=O)(=O)CCCS(=O)(=O)NCC#N)C2 349603067 MNNLBIKLQARVNT-CYBMUJFWSA-N 387.487 -0.605 30 20 GBED C=C[C@@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 460124642 LPMZVXHXJGBMSJ-AWEZNQCLSA-N 383.474 -0.621 30 20 GBED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2cc(C(N)=O)no2)CC1 483250941 FNDDYYYAZOOHRV-UHFFFAOYSA-N 383.368 -0.995 30 20 GBED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@@H]34)CC2)n1 502299493 HBBINGOTRAHDQC-CVEARBPZSA-N 396.451 -0.129 30 20 GBED CN1C[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)NC3(C#N)CC3)cc2)CC1=O 514737405 AVQDPMFKVSSWBB-NSHDSACASA-N 398.466 -0.470 30 20 GBED CC#CC[C@@H](CO)Nc1ccc(S(=O)(=O)N(C)C)cc1S(N)(=O)=O 645407059 JEPUYYJQETYPCB-NSHDSACASA-N 375.472 -0.230 30 20 GBED N#C[C@@H](C(=O)COc1cccc([N+](=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 732910194 LDLUDRIFDIUTBN-ZDUSSCGKSA-N 381.366 -0.061 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745442127 SQFPKQPIVKWSCI-GVFGIDLGSA-N 379.369 -0.908 30 20 GBED CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1 750274986 AFRGMVHVUYLZPQ-LLVKDONJSA-N 384.389 -0.183 30 20 GBED C[C@@H](CC(=O)Nc1cc(C(N)=O)[nH]n1)/N=C1/NS(=O)(=O)c2ccccc21 757908301 NVHUJROWOVRQAO-QMMMGPOBSA-N 376.398 -0.036 30 20 GBED CCn1nc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)c2ccccc21 769886718 ODAHKJWLWBTRGK-UHFFFAOYSA-N 378.417 -0.209 30 20 GBED C#C[C@H](C)N(C)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 773954166 MZFVWBBAYNAFKG-IHRRRGAJSA-N 375.429 -0.063 30 20 GBED C#C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@H]1CCCO1 775339942 LHMANMRDNQVDFM-BYCMXARLSA-N 379.438 -0.251 30 20 GBED CCNS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OCCOC 784703464 RUHMDMMPMDHKPL-UHFFFAOYSA-N 398.441 -0.423 30 20 GBED Cn1c(=O)c2nc(COC(=O)CNC(=O)c3ccc(C#N)cc3)[nH]c2n(C)c1=O 785291215 CNQYYOYVDGHESP-UHFFFAOYSA-N 396.363 -0.695 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C(C)(C)C 807536004 NDFQBABEUSMVJD-ZDUSSCGKSA-N 375.429 -0.156 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c1=O 811794958 BNBNUAXFVALKPR-CHWSQXEVSA-N 384.458 -0.991 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCNC[C@H](O)Cn1c(-c2ccccc2)noc1=O 819049743 NVXODUDGXDHXSV-HFUDNHEJSA-N 399.407 -0.020 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2C(=O)O)CC1 833377208 RBXRWFBBUDIAAK-UHFFFAOYSA-N 392.387 -0.091 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 846080577 FXNLDWXZSZPQBI-GFCCVEGCSA-N 383.401 -0.074 30 20 GBED O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)N[C@H]1CCCN(O)C1=O 848137269 BVKCJZNWCUYVJS-LBPRGKRZSA-N 399.425 -0.377 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 969507081 KSLPWTRNNDMUME-KBXIAJHMSA-N 386.412 -0.593 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2nc[nH]n2)C1 990963778 FDSKBUQSZRDNHV-MQYQWHSLSA-N 386.416 -0.902 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)C[C@H]1O 1023960338 FYRISCGOOHKHQV-FPCVCCKLSA-N 388.424 -0.537 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@H]1C 1079721177 RCAWRPJVCBZEKK-FPCVCCKLSA-N 378.473 -0.638 30 20 GBED N#Cc1ccc(CNC(=O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 1115915116 QPNKNJZSZDBKPI-KRWDZBQOSA-N 376.482 -0.021 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC1(O)CCS(=O)(=O)CC1 1117069456 VTYZYJJYRKSLKU-UHFFFAOYSA-N 398.412 -0.168 30 20 GBED CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cc1 1261461347 JBNZUGBLRFWFJI-MRXNPFEDSA-N 380.426 -0.449 30 20 GBED C[C@@H](NC(=O)C(=O)N1CCO[C@H](C#N)C1)c1ccc(S(=O)(=O)N(C)C)cc1 1321799289 RKIZTXSLWFBVMR-TZMCWYRMSA-N 394.453 -0.135 30 20 GBED CC(=O)NC[C@H]1CCn2ncc(C(=O)NS(=O)(=O)CC3(C#N)CC3)c2C1 1322072118 CADSGSPVBCHZMC-LBPRGKRZSA-N 379.442 -0.055 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 1322694615 ORMGNWBIXRWAFR-CRNNXPQTSA-N 388.424 -0.297 30 20 GBED CO[C@@H](CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C1CCCC1 1328365762 YAZIEEUYQGKGFP-BSZDNMLHSA-N 378.429 -0.050 30 20 GBED C[C@]1(CCCO)CCCN1C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1328817992 UTPQAIQYVGSTPR-KGUUONHRSA-N 378.429 -0.217 30 20 GBED CCN1C[C@H](CNC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1=O 1328980402 FCHIIYIOFSWKST-KBPBESRZSA-N 399.455 -0.630 30 20 GBED Cc1ccc(C(=O)N2CC(N3CCN(C)CC3)C2)cc1S(=O)(=O)NCC#N 1332563673 MKNNDWVBYVCJIO-UHFFFAOYSA-N 391.497 -0.131 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1339064842 YTHYDTPHJFFBGE-ISLYRVAYSA-N 375.429 -0.023 30 20 GBED C=C(C)Cn1c([C@H]2CNC(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1356103598 ZMDJCJAADYPWFK-OLZOCXBDSA-N 387.444 -0.070 30 20 GBED N#Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)nc3)C[C@@H]2O)[nH]1 1581867887 AEAHKSVUHJJXLD-WFASDCNBSA-N 379.384 -0.169 30 20 GBED C#C[C@@H]1COCCN1C(=O)C(=O)N1CCO[C@@H](c2ccc(-c3nn[nH]n3)cc2)C1 1588330403 BHCXROYXEJXBEH-HZPDHXFCSA-N 396.407 -0.373 30 20 GBED C=CCOCC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588665343 JNUBDWFIJAGSOA-LLVKDONJSA-N 377.405 -0.711 30 20 GBED C#CCn1ccc(CN(CCOC)C(=O)C2(C(=O)O)CCS(=O)(=O)CC2)n1 1602704705 OXPJSGKZQZVGBW-UHFFFAOYSA-N 397.453 -0.229 30 20 GBED C#Cc1cccc(CNC(=O)NCCn2cc(-c3nn[nH]n3)c(O)nc2=O)c1 1602741506 MBCOQBVONZIYDW-UHFFFAOYSA-N 380.368 -0.390 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC(=O)O)cc1 1605411266 CBKZNGFNBHIIPC-UHFFFAOYSA-N 375.428 -0.074 30 20 GBED N#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)C[C@@H]32)[nH]1 1606367770 NURVJEOVXNMBBZ-YABSGUDNSA-N 377.368 -0.105 30 20 GBED C=CCOC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(O)nn1)C(=O)O 1609432295 MYBRCMQBXBXZJF-STQMWFEESA-N 378.385 -0.051 30 20 GBED N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)C2CC2)CCO1 1620355519 VCNKWBJIQQPWKD-AWEZNQCLSA-N 387.444 -0.231 30 20 GBED CN1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)CC1 1778258949 ZLYBZTKHZYVFOF-IBGZPJMESA-N 375.473 -0.633 30 20 GBED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1ccccc1=O 1779272897 YCZQCWHHMXFTPN-AUUYWEPGSA-N 387.392 -0.673 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1783113588 DDGCYFGDAGXOQG-LPHOPBHVSA-N 383.489 -0.685 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCn3ccnn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c1cccnc1 1807192560 QQLGIENXVYFQRD-VKJFTORMSA-N 386.456 -0.016 30 20 GBED CN[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1)C(=O)O 1817370192 YOEDPJGEBBPUNB-VXGBXAGGSA-N 391.384 -0.448 30 20 GBED COC(=O)NCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1822626245 OMGSTXMGONPYQK-NSHDSACASA-N 377.357 -0.154 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1831485252 AHKYTLYLDZLOOO-DHSIGJKJSA-N 399.513 -0.324 30 20 GBED CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834767005 JHDIVQIPEBUEKI-SFHVURJKSA-N 396.444 -0.119 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4csnn4)C3)C2)CC1 1835338773 SDJOAPCNDLTZTJ-INIZCTEOSA-N 377.426 -0.088 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835359368 GAAGSWYUKMTFAJ-RDTXWAMCSA-N 378.429 -0.563 30 20 GBED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1839889712 LMZUYHNHMNPNSU-INIZCTEOSA-N 392.399 -0.337 30 20 GBED C[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840022618 BWGRVSNPQCWNGN-RDTXWAMCSA-N 382.461 -0.895 30 20 GBED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044336 DHGWEOQJXVKSPQ-MRXNPFEDSA-N 386.351 -0.258 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1841598392 HEJWNZPUEUJDOU-ZIAGYGMSSA-N 385.486 -0.444 30 20 GBED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C#N)c1 21224653 BRGUJXPWPBJWHT-ZDUSSCGKSA-N 385.467 -0.128 30 20 GBED C/N=C(/NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCc1nnc2n1CCC2 261822209 UOPKETWOXJKKOP-YXAMBPQSSA-N 383.456 -0.304 30 20 GBED CN(C)C(=O)CN/C(=N/C1CC1)N1CCN(CC(=O)N2CCCCC2)CC1 262201714 HLAPCISXXRJIBP-UHFFFAOYSA-N 378.521 -0.187 30 20 GBED CC(C)(C(N)=O)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 267034758 FWVWTHLCTWMUHJ-UHFFFAOYSA-N 392.481 -0.119 30 20 GBED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1 271373776 QBPHEXIOCXYZFO-CQSZACIVSA-N 376.438 -0.012 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NC1CCN(CC(=O)NC)CC1)c1cc[nH]n1 276554797 IKABZCMTSCKCEZ-CJLVFECKSA-N 394.432 -0.980 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C 290752187 YRJYZLACYPDTIO-COPLHBTASA-N 385.467 -0.226 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 292385297 UWRNROOJEKKJKY-VXGBXAGGSA-N 380.474 -0.134 30 20 GBED N#Cc1ccccc1N1CCCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)CC1 298936686 GHGKLJSAGOLVLJ-UHFFFAOYSA-N 395.423 -0.083 30 20 GBED Cc1cnn(C[C@@H]2CN(/C(O)=N/CCC(=O)N3CCN(C)CC3)CCO2)c1 329234944 IFERCMOMLAXNIM-INIZCTEOSA-N 378.477 -0.030 30 20 GBED N#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N1CCn2cncc2C1 349493282 AIWTVEPSPVSYKQ-UHFFFAOYSA-N 387.487 -0.264 30 20 GBED C[C@@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409525526 NTDWMDKXMXMRLN-CVEARBPZSA-N 399.517 -0.526 30 20 GBED C[C@H](C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO)n1cnc(C#N)n1 409816064 XXTIFJZZAGYSRR-GFCCVEGCSA-N 392.441 -0.360 30 20 GBED CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 459887294 UXAGGUBWKGZVKZ-UHFFFAOYSA-N 383.452 -0.061 30 20 GBED COC(=O)CN(CC#N)C(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O 500606980 VIMDMBNFQMIWIO-WFASDCNBSA-N 383.426 -0.452 30 20 GBED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(CCN3CCOCC3)cc2)n1 508348399 JVYOOSCXUPKALY-UHFFFAOYSA-N 397.439 -0.221 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)Cc2nnnn2C)cc1 563429306 VLNPYQJAEZWGGY-JTQLQIEISA-N 399.458 -0.779 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCNc1ccn(C)n1 565030864 GUHJYXVCFXDCFY-LBPRGKRZSA-N 376.442 0.187 30 20 GBED CC(C)(CC#N)CNC(=O)C(=O)N1CCC(N2C[C@H](C(=O)O)CC2=O)CC1 593778812 RMBZWMDVKXJHOY-GFCCVEGCSA-N 378.429 -0.033 30 20 GBED N#CC1(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCC[C@H]3C(N)=O)cc2)CC1 600762842 IVMZYUOSNHMHNS-ZDUSSCGKSA-N 398.466 -0.341 30 20 GBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc3nc(O)[nH]c3c2)CC1 728572447 DZQVANKTZBRYBO-CYBMUJFWSA-N 384.440 -0.038 30 20 GBED N#CCOc1ccc(CC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 732060494 XCNFFRUOOMBOCH-UHFFFAOYSA-N 398.419 -0.049 30 20 GBED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)O)cc2)c(=O)n1CC(N)=O 736343923 UMGCSXOTUXRRBI-UHFFFAOYSA-N 399.428 -0.179 30 20 GBED N#Cc1c(N2CCN(C(=O)CN3CCOCC3)CC2)cccc1S(N)(=O)=O 784556088 FYLCSVJYRZZATA-UHFFFAOYSA-N 393.469 -0.814 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 809968242 RTWLMRRZHFNIRF-MRXNPFEDSA-N 390.506 -0.653 30 20 GBED C#CCOCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 819701742 LWGMZSOBTDNGAR-LLVKDONJSA-N 379.398 -0.274 30 20 GBED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cnn(C)c2)c1=O 837368119 HHGRVQJDGCZDEK-UHFFFAOYSA-N 375.454 -0.681 30 20 GBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1nc2c(s1)COCC2 848967812 NMAPZSDRCXRLCF-UHFFFAOYSA-N 379.485 -0.100 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H]3NC(=O)CC[C@@H]3C2)c1=O 853554790 DHOZNUPJFBAYMC-ZIAGYGMSSA-N 375.429 -0.898 30 20 GBED CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1 875210387 VXLHTYBHMMIGRN-SFHVURJKSA-N 384.484 -0.431 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc(C(N)=O)co2)[C@H](OC)C1 946749107 YHWHTOZXKMTFAS-GUIRCDHDSA-N 377.397 -0.075 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@H](c2cn(C)cn2)C1 993565374 YQHIOCPISPATGU-OSRDXIQISA-N 385.428 -0.146 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC(=O)NC(=O)C2)cn1 998956752 KFZNBJBZDCBPDA-PMPSAXMXSA-N 380.404 -0.023 30 20 GBED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2cc(=O)n3[nH]cnc3n2)n1 1055066591 PGLUVAMUZHDBRA-SCVCMEIPSA-N 377.368 -0.381 30 20 GBED CCc1nc(C#N)cc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2ncn(C)c2=O)n1 1055136033 VEDNKJOYARKQMZ-RDBSUJKOSA-N 382.428 -0.268 30 20 GBED C=CCNC(=O)CS(=O)(=O)Cc1c(C)nn(CCS(C)(=O)=O)c1C 1116892488 RCBWOKCOBUDWPI-UHFFFAOYSA-N 377.488 -0.238 30 20 GBED C[C@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ncnn1C 1117608847 GPDPUDHOYFPUNF-WFASDCNBSA-N 395.423 -0.219 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C 1117633875 IYLCNKHOUMFFGQ-AWEZNQCLSA-N 387.502 -0.585 30 20 GBED COC(=O)NC1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1117916588 DOHCFARXFATECA-INIZCTEOSA-N 385.424 -0.210 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCCS(=O)(=O)CCOC)C[C@H]1O 1196276919 ZQEVLMDUHZFQBG-FPCVCCKLSA-N 390.502 -0.810 30 20 GBED CN(C)C(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1314639309 KVULWMJXSFNWPI-OLZOCXBDSA-N 396.473 -0.613 30 20 GBED O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1319116747 NHSQYUBOFNHNEZ-CFBCJXQMSA-N 398.419 -0.174 30 20 GBED C=C(CNC(=O)[C@H](C)CS(C)(=O)=O)CNC(=O)[C@H](C)CS(C)(=O)=O 1351104879 CLEQSPVROGGXOF-VXGBXAGGSA-N 382.504 -0.864 30 20 GBED C=C[C@](C)(O)CC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573309589 LIOYULWEFHGFPY-DLBZAZTESA-N 389.416 -0.785 30 20 GBED C=CC(C)(C)C(=O)N(C)C[C@H](O)CNC(=O)[C@@H]1CCCN1Cc1cnn[nH]1 1575061164 CTKCXNITQYKVJW-CABCVRRESA-N 378.477 -0.083 30 20 GBED O=C(N[C@@H]1CN(CC#Cc2ccccc2)C[C@H]1O)[C@@H]1CCCN1Cc1cnn[nH]1 1578019370 MOANJBIXKMIPGG-HSALFYBXSA-N 394.479 -0.018 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588353932 BHIXSZSZQKIAKT-NWDGAFQWSA-N 398.427 -0.651 30 20 GBED C=CCOCCCC(=O)N[C@@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O 1588683228 ZPPFMGHEIHKNTR-OCCSQVGLSA-N 388.432 -0.305 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1Cc2cccc(-c3nn[nH]n3)c2C1 1588689076 XTXUBHWVHBJLTC-UHFFFAOYSA-N 390.425 -0.574 30 20 GBED CS(=O)(=O)NCCCNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1591677223 GPGOVJRXWSNIAN-CYBMUJFWSA-N 377.430 -0.396 30 20 GBED C[C@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1)C(=O)O 1592722689 NSBDWTYPRJHYCL-SNVBAGLBSA-N 375.428 -0.170 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)N1CC[C@H](Oc2ccc(-c3nn[nH]n3)cn2)C1 1602720354 VXRHICGRTDKRNE-HNNXBMFYSA-N 393.407 -0.274 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)O)CC1 1602726607 SRWBKRPVSQGTRO-STQMWFEESA-N 393.487 -0.955 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2cc(C)ncc2-c2nn[nH]n2)C[C@H]1O 1602886306 NWEVYWIPEWASJC-CUBALJKWSA-N 385.428 -0.173 30 20 GBED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC(=O)N(C)C[C@H]1C(=O)O 1607968859 TURRTBJVVMYPOC-AWEZNQCLSA-N 384.396 -0.096 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O 1609494161 YGGUQDSYISJZOF-SCLBCKFNSA-N 394.395 -0.250 30 20 GBED COc1cc(C#N)ccc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1626573747 KMGOVDFRBCFQPD-HUUCEWRRSA-N 379.438 -0.206 30 20 GBED CC(C)(C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722919179 QYQWTVFQLANIHV-LRDDRELGSA-N 383.474 -0.146 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC=O)C[C@@H]21 1788573719 ICIVEBPEOURORT-OLMNGRFOSA-N 381.473 -0.326 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1790789500 AQBCCXOAFKGTPC-XQLPTFJDSA-N 395.456 -0.515 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)OC)[C@H]2C1 1791476905 FTQQTBCPESDJNJ-AJNGGQMLSA-N 397.472 -0.105 30 20 GBED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N)N1CCN(C)CC1 1792633417 PZFQKWVPCUOBQB-NXOAAHMSSA-N 391.516 -0.238 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)C(=O)O)C2 1793822965 HMERGGXILIOZFN-JJLQDPRZSA-N 399.469 -0.962 30 20 GBED COc1cccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c1 1795240950 PMYMMKNDUPMOSD-YVWYUNDQSA-N 386.404 -0.085 30 20 GBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2[nH]cnc(=O)c2c1C 1798466606 NIOVPFCLMXEZPK-XOIINTDNSA-N 397.435 -0.052 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cc(CO)on2)[C@@H]1c1cccnc1 1812878097 SYENDTLIVJQPBU-SCLBCKFNSA-N 398.375 -0.031 30 20 GBED CN(C)C(=O)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1834632165 XABWRBIUZSACRH-UHFFFAOYSA-N 375.473 -0.050 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)COC)CCO2)C1 1834974412 APLSLUGGRGGXNT-SFHVURJKSA-N 384.429 -0.401 30 20 GBED CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835066437 ZCVPKVXIQKIRSB-HOTGVXAUSA-N 385.578 -0.202 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1836477089 WBOTUZKMZARTKW-TXPKVOOTSA-N 377.441 -0.991 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)O)C2)C1 1839176411 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CC(C)(O)[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 349496327 HAVVXFZFHASFPX-LBPRGKRZSA-N 379.504 -0.083 30 20 GBED N#Cc1ccc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)cc1F 424488199 LXBKKFAXSIVFGN-LBPRGKRZSA-N 383.357 -0.976 30 20 GBED COC(=O)Cn1cc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)cn1 462452227 BENXAKSMYUJLAR-UHFFFAOYSA-N 390.425 -0.166 30 20 GBED CCN(CC(=O)NCc1cccc(C#N)c1)CC(=O)N[C@H]1CCS(=O)(=O)C1 513334004 DKOVWLVECGFBTG-INIZCTEOSA-N 392.481 -0.200 30 20 GBED CCN1C[C@@H](CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1=O 593934192 KEXKGJQULWYVJS-OAHLLOKOSA-N 384.440 -0.414 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CC(N)=O 608911604 LJDFZNNTFMOCED-UHFFFAOYSA-N 388.424 -0.437 30 20 GBED COC(=O)CN(CC#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 609992341 CPFKTDVQFKBIFE-UHFFFAOYSA-N 384.414 -0.815 30 20 GBED COC(=O)[C@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 728538837 QKJFRUGWPJDPGA-GFCCVEGCSA-N 381.410 -0.484 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1CC(C)C 743728320 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30 20 GBED C=C(C)Cn1c([C@@H]2COCCN2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1574842771 BWKFAWLBNHOOET-KBPBESRZSA-N 384.506 -0.015 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)CCOCc2cnn[nH]2)C1 1574986296 YWVWKFSVZJEOGD-ZOBUZTSGSA-N 388.472 -0.180 30 20 GBED C=CCOCC(=O)N1CCCO[C@H](CN[C@@H](C)C(=O)NCc2cnn[nH]2)C1 1575108394 KIIMBUFIOKLOPK-DZGCQCFKSA-N 380.449 -0.781 30 20 GBED N#Cc1cnccc1N1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 1581883563 NZUNZLOTYCXBOC-WFASDCNBSA-N 379.384 -0.169 30 20 GBED C#CCNC(=O)CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 1588354548 PLKHEMLBCKFOME-XQQFMLRXSA-N 382.428 -0.473 30 20 GBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O 1588615670 CCBHICNVRJLMFE-OLZOCXBDSA-N 375.389 -0.911 30 20 GBED C=CCNC(=O)[C@H](C)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588657797 XFJPMNKHTBLVOI-APPDUMDISA-N 388.432 -0.948 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588665366 JWAOHCDEXWAYHV-PWSUYJOCSA-N 377.405 -0.665 30 20 GBED CC#CC[C@H](CO)NC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1588738110 LBEWIINCMILPNK-GFCCVEGCSA-N 378.414 -0.965 30 20 GBED CC(C)(C)C#CC(=O)N1CCC(O)(CN=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1589068671 VVYOHPXOSLDVKS-UHFFFAOYSA-N 384.444 -0.107 30 20 GBED N#Cc1cn(CC(=O)NCCN2CCN(c3ccccc3)CC2)c(=O)nc1O 1594929964 IHCSQBHJRLLYFH-UHFFFAOYSA-N 382.424 -0.241 30 20 GBED N#Cc1ccc(CCNC(=O)C(=O)N2CC[C@@H](n3cc(C(=O)O)nn3)C2)cc1 1601098028 PMJLWHHBAUJSDO-CQSZACIVSA-N 382.380 -0.020 30 20 GBED CC(C)(C)C#CC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1603051842 ZMWYNIVIIFHGTE-SFHVURJKSA-N 385.428 -0.063 30 20 GBED N#CCCC(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783979896 QRVOSYMOYHLAKA-AWEZNQCLSA-N 376.335 -0.201 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)CC)[C@H]2C1 1784363910 XUSPULXKOFUDRD-WOYTXXSLSA-N 393.484 -0.081 30 20 GBED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784386294 ZJSBUBIGPBDLMC-XSLAGTTESA-N 391.468 -0.469 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C[C@@H]21 1790792815 SOPVOQVZFLALNP-JYJNAYRXSA-N 386.452 -0.100 30 20 GBED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1791267335 QQBNKBCFVAYVRP-KKUMJFAQSA-N 390.440 -0.679 30 20 GBED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC)C(=O)O)C2 1793349487 UMLFZAVNBFYNLL-BASYENTBSA-N 397.472 -0.379 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(C)C(=O)CC1)C2 1793354729 NQMVMAQBWYGPNU-VWPFQQQWSA-N 392.456 -0.225 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn(C)c1=O 1793545401 MOXFQHGSDXZGAP-PNBKFKSVSA-N 387.436 -0.373 30 20 GBED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2)C(F)(F)F 1800548704 QRBGKEKGZVYYKM-NOHGZBONSA-N 392.378 -0.713 30 20 GBED CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808780280 XDEIEOKDIFDNQI-DOXZYTNZSA-N 398.419 -0.204 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CN)[C@H]2c2cccnc2)c1 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N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)CC2)nc1 286998642 QUOTXJUOJYXNRA-HNNXBMFYSA-N 396.451 -0.271 30 20 GBED COCC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 289582337 SQXWKRZRVBLINJ-UHFFFAOYSA-N 380.426 -0.846 30 20 GBED CCS(=O)(=O)NC1CCN(/C(O)=N/CCC(=O)N2CCN(C)CC2)CC1 330392752 BKTACUUDSFDPSY-UHFFFAOYSA-N 389.522 -0.532 30 20 GBED Cc1ccn(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(=O)c1C#N 332353206 BJZLWBAKQBOLEO-AWEZNQCLSA-N 378.454 -0.640 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@](C)(C(N)=O)C1 349490911 HGQUKURXUAXEDM-DGCLKSJQSA-N 380.492 -0.923 30 20 GBED Cc1cc(NC(=O)C(=O)N2CC(=O)NC(=O)C23CCCCC3)nn1CCC#N 372612645 OJRPSQPPROVBNH-UHFFFAOYSA-N 386.412 0.232 30 20 GBED CNS(=O)(=O)N1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 408010803 XWKGLCAWUFHIMT-UHFFFAOYSA-N 376.435 -0.391 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)CCO1 409503335 SCDFDHXJZQEVBM-YESZJQIVSA-N 380.470 -0.319 30 20 GBED CCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 409563917 UEXWUSVQPCAVEH-UHFFFAOYSA-N 387.487 -0.132 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@H](S(N)(=O)=O)C3)C2=O)cc1 409620190 HVGPDTAIBWKBQA-GJZGRUSLSA-N 391.453 -0.268 30 20 GBED N#Cc1ccc(OC2CN(C(=O)C(=O)N3CCC[C@@H](C(=O)NCCN)C3)C2)cc1 423566921 QGVUEIJOXZCJSN-OAHLLOKOSA-N 399.451 -0.539 30 20 GBED CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1F 511015050 LBELIQOAEJPGLB-UHFFFAOYSA-N 392.434 -0.105 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)CC2)c1C#N 530521764 HCOIJTFMEMWUEU-LJQANCHMSA-N 399.455 -0.031 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccon1 531684089 OYFQOFBFSGUPLR-UHFFFAOYSA-N 398.448 -0.291 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CCO1 558564205 QULKUVAJUYQIBJ-INIZCTEOSA-N 394.453 -0.282 30 20 GBED COC[C@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCO1 587653733 JNLZXCSXKSFHAM-MRXNPFEDSA-N 387.440 -0.088 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC[C@]2(O)CCOC2)cc1 594631164 WIBJJOHUPYVLIR-AWEZNQCLSA-N 389.455 -0.692 30 20 GBED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccnn2C)c1=O 603552365 CLJUDEYCVGINMS-UHFFFAOYSA-N 375.454 -0.681 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 728534051 DPULKWKKEWBLOU-IYBDPMFKSA-N 388.468 -0.555 30 20 GBED Cn1c(=O)c2cc(C(=O)O[C@H](C(N)=O)c3ccc(C#N)cc3)n(C)c2n(C)c1=O 734577300 DLFVIQHJNUQODT-AWEZNQCLSA-N 395.375 -0.169 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2nnnn2-c2c(C)cccc2C)CC1 761036761 IXAIGEDJOMNOGR-UHFFFAOYSA-N 389.485 -0.136 30 20 GBED C[C@H](C#N)Oc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 771891221 TUCNQLZQFVVHCZ-LLVKDONJSA-N 391.409 -0.313 30 20 GBED C#CCN1CCN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)CC1 819701907 PQKVIPYJEWKRRC-UHFFFAOYSA-N 377.408 -0.041 30 20 GBED C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1-c1nn[nH]n1 823845789 XJCARMIJNGZZAP-LLVKDONJSA-N 381.439 -0.322 30 20 GBED C#CCNc1nc(NCCN2CCCC2=O)nc(NCCN2CCCC2=O)n1 845680782 OJWBQQXBMXTXFH-UHFFFAOYSA-N 386.460 -0.015 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1 847436617 QPQDMDCRDSXIOF-UHFFFAOYSA-N 398.872 -0.505 30 20 GBED C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cncc(OC)n1 848959140 BCAGKUMYLXNYRK-NSHDSACASA-N 376.460 -0.100 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](N2CC[C@@H](O)C2)C1 861708477 GSZSVFKQLXYAEQ-UONOGXRCSA-N 392.481 -0.217 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2OC)CC1 872514926 DNMYGFJNUFOKGJ-UHFFFAOYSA-N 391.446 -0.392 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)N2CCc3ccccc3C2)CC1 872515453 NHNXDMNBXAKZDP-UHFFFAOYSA-N 398.510 -0.625 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@@H]1O 964615432 RMQLKLCVNGNIQG-RZFFKMDDSA-N 376.413 -0.937 30 20 GBED Cc1ccc(C#N)c(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2cnc(C(N)=O)n2)n1 1055229559 VQKWGAAPAUIVSG-RDBSUJKOSA-N 380.412 -0.122 30 20 GBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O 1109972157 ZAPMBSFDSAIECL-MQYQWHSLSA-N 377.445 -0.707 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCCNC1=O 1110694844 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30 20 GBED C=CCn1c(C[C@H]2CCCCNC2=O)nnc1N(C)CCNS(C)(=O)=O 1342072452 MWJZLUMUQCVZTG-CYBMUJFWSA-N 384.506 -0.092 30 20 GBED C=C(C)Cn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1346097256 BPPWOXHPJWWXJQ-AWEZNQCLSA-N 387.488 -0.142 30 20 GBED C#CCNC(=O)CN1CCC[C@](C)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573286310 YMTDXYYONZTSRF-GOSISDBHSA-N 384.444 -0.224 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 1573300766 UIGLSAXDVQTKQH-CYBMUJFWSA-N 385.432 -0.224 30 20 GBED C#Cc1ccc(C(=O)N(C)C[C@H](C)NC(=O)CC(=O)NCc2cnn[nH]2)cn1 1575023193 ZDDOISYKIOIZNK-LBPRGKRZSA-N 383.412 -0.536 30 20 GBED N#Cc1cc(C(=O)NC[C@H]2[C@@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]23)c[nH]1 1581866175 UZBCFXQYYJFOJO-XYYAHUGASA-N 376.384 -0.031 30 20 GBED C#C[C@H](NC(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O)c1ccccc1 1588329530 IDZRWKCJMZHULZ-ZDUSSCGKSA-N 380.368 -0.197 30 20 GBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588353470 UGOVXWHIOKEHIS-TZMCWYRMSA-N 384.444 -0.131 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCCO1 1588356284 BGAOPFSXKVIKFH-CHWSQXEVSA-N 386.416 -0.594 30 20 GBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O 1588377467 XKJAZVWCXJSSBQ-HZPDHXFCSA-N 390.407 -0.454 30 20 GBED CN(CCOCc1ccc(-c2nn[nH]n2)cc1)c1[nH]c(=O)n(C)c(=O)c1C#N 1591115555 ZXNFKYJGNWCDGK-UHFFFAOYSA-N 382.384 -0.222 30 20 GBED CC#CC[C@@H](CO)NC(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 1602888955 BELASSWUZFXARL-AWEZNQCLSA-N 377.426 -0.328 30 20 GBED CNC(=O)CN1CCC(NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)CC1 1609288407 OGRMHTFCSGCPHM-OAHLLOKOSA-N 396.455 -0.124 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](CS(N)(=O)=O)C3)CC2)o1 1655770732 NUZMWNALMAWUNA-ZDUSSCGKSA-N 396.473 -0.886 30 20 GBED C=CCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1757198683 IMZHNXTXSGXMDL-NCOADZHNSA-N 381.473 -0.480 30 20 GBED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1779074450 BNCWBJKAVHZIKS-CRAIPNDOSA-N 382.413 -0.113 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)cc1 1780696543 YLTYHHLUVRATAQ-OXQOHEQNSA-N 399.451 -0.405 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSCC(=O)O)C2 1782015473 OKQOAQFAGLQESF-SJKOYZFVSA-N 398.437 -0.594 30 20 GBED Cn1nc2c(c1C(=O)N1CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)CCC2 1782442440 ZKWYVKUZQFWBRS-LJQANCHMSA-N 386.408 -0.560 30 20 GBED Cn1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)cn1 1782590835 VNRGRBRYJFDBIO-DNVCBOLYSA-N 388.424 -0.436 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)n[nH]3)[C@H]2C1 1786939080 NFHPEYUVLSFHPA-OSFYFWSMSA-N 376.413 -0.253 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCSCC1)C2 1793341470 VCZNVDZZWJUBMX-XLMAVXFVSA-N 395.525 -0.337 30 20 GBED CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](S)C(C)C 1793380639 YGTZHVUACPWQKA-AYRXBEOTSA-N 392.543 -0.035 30 20 GBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2=O 1797538887 GMGMKSGQFYDUHZ-QHBPRCKVSA-N 382.376 -0.062 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc2cnccc12 1798458816 BZLLNLOOFZSDDU-HBCWATKFSA-N 394.387 -0.079 30 20 GBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1801001210 CONNIUNNQLHDSX-FVCICTRLSA-N 390.396 -0.078 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1831433456 IKMQPGBIFHPDLL-BEFAXECRSA-N 392.456 0.000 30 20 GBED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842809247 WEIKTPRNTYMTSZ-OAHLLOKOSA-N 384.440 -0.036 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)CN1C(=O)C=CC1=O)C2 1842921490 ZSQRVPXYAUYMRL-UHFFFAOYSA-N 387.440 -0.603 30 20 GBED C#CCNc1nc(NCCN2CCOCC2)nc(NCCN2CCOCC2)n1 286956351 MVBDHVXHLNRAHB-UHFFFAOYSA-N 390.492 -0.595 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 289923934 BHXZTBMAQHAYOA-LLVKDONJSA-N 385.442 -0.063 30 20 GBED CC(C)N1CCN(/C(O)=N/CCS(=O)(=O)N2CCSCC2)CC1=O 329391454 SUFIHKQCFMPAQD-UHFFFAOYSA-N 378.520 -0.168 30 20 GBED CC(C)C/N=C(/O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)NC(C)C)CC1 330494746 VHFQOINPONNSHP-CYBMUJFWSA-N 377.511 -0.079 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 334020941 FONHOBVCVKGXJR-KGLIPLIRSA-N 388.490 -0.487 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CC(=O)N(C)C[C@@H]1C 349607605 FWVKPQVFYIZSBF-RYUDHWBXSA-N 380.492 -0.910 30 20 GBED C[C@@H](CO)N1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 470915734 FXFAKCFZCVOGTO-AWEZNQCLSA-N 397.439 -0.007 30 20 GBED CN(CCC#N)S(=O)(=O)NC[C@H](NS(=O)(=O)N(C)CCC#N)C1CC1 503952848 PCBLZJBRAWSSAV-ZDUSSCGKSA-N 392.507 -0.875 30 20 GBED N#CC1(NS(=O)(=O)c2ccccc2S(=O)(=O)NC[C@@H]2CNC(=O)C2)CC1 516315839 UHVSAIDHXBLIHI-NSHDSACASA-N 398.466 -0.565 30 20 GBED CN1CC[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)NC2(C#N)CC2)C1=O 567520944 KXWOQDLUPDKPCP-LLVKDONJSA-N 398.466 -0.470 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)OC)[C@@H]2CCC[C@H](OC)C2)C1=O 593344729 BTCGVXBHALEEBE-DYEKYZERSA-N 395.412 -0.174 30 20 GBED CCOC(=O)C[C@@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 597677447 NBNFPERKRVXSIA-YPMHNXCESA-N 383.426 -0.345 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NCCc2ccc(F)cc2)CC1 761036828 LFRWFHPOULTRIR-UHFFFAOYSA-N 382.461 -0.430 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)C(=O)N1CCNC1=O 767673982 DCEOSFSCXNVJIO-GHMZBOCLSA-N 394.409 -0.291 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)c1cn(C)nn1 845137683 XFVNDJHWUCYYLB-SNVBAGLBSA-N 377.382 -0.220 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC1 874343328 ZFLXEEZHBRUQPZ-RYUDHWBXSA-N 395.403 -0.897 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC(N2CCCS2(=O)=O)CC1 875595812 DHCHOIDZEVKINA-CQSZACIVSA-N 385.486 -0.443 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C[C@@H]2O)nn1 964298683 CVXYYAZPXWHPAQ-GFISCPRKSA-N 389.456 -0.029 30 20 GBED Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncccc2C#N)c(=O)n(C)c1=O 1055102242 OCCDBBPDBVFPSW-SNPRPXQTSA-N 380.408 -0.110 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)NC(=O)NCC 1110461723 FTKUCUCPRUBUIL-SYQHCUMBSA-N 377.445 -0.918 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCNC(=O)[C@@H]1CCCO1 1111509234 ZACICOOTLYAQCW-WCVJEAGWSA-N 378.473 -0.305 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CC[C@@H](CN2CCCC2)C1 1323421967 UOBNGYXVNYACBW-HYEKCJMVSA-N 389.456 -0.427 30 20 GBED COC[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CCO1 1331226881 LJRTZTQYXORMBW-KGLIPLIRSA-N 388.428 -0.741 30 20 GBED C#Cc1cncc(C(=O)N[C@H]2CCC[C@@H]2CNCC(=O)NCc2cnn[nH]2)c1 1575032435 CUJVUDWJETWWKQ-PBHICJAKSA-N 381.440 -0.015 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H](C)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588351144 GOTMTGNHXAGPRN-DOMZBBRYSA-N 384.444 -0.131 30 20 GBED C#CCNC(=O)CNCCC1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1588354172 HCRFLIHGOFTOBW-UHFFFAOYSA-N 384.444 -0.224 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1OC 1588358477 XRNBLDBSHJUHJS-ZLKJLUDKSA-N 387.400 -0.811 30 20 GBED C#Cc1cncc(C(=O)NC[C@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)c1 1588380539 HAFMIRYWKCOTJP-AWEZNQCLSA-N 391.395 -0.332 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCCOCCN(C)c1nccnc1-c1nn[nH]n1 1588722914 DTGNXXAXBIWANW-OLZOCXBDSA-N 388.432 -0.183 30 20 GBED CN(CCOCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1cnc(C#N)cn1 1591110231 CUOUMFPYLZYFNR-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED C=CCCO[C@H](C)C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1602840932 ISJVNWAKMRHHBE-LLVKDONJSA-N 389.416 -0.521 30 20 GBED O=C(C#Cc1ccc2c(c1)OCO2)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O 1606457419 UPTLMLHLVSTZNT-UHFFFAOYSA-N 395.335 -0.974 30 20 GBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cc(C)c(O)nc2=O)C1 1783118720 MMUGJDMXAAZQSV-AUUYWEPGSA-N 388.424 -0.596 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783261720 WCEJODAPIVLGMZ-LPHOPBHVSA-N 383.489 -0.685 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N(C)C(C)=O)C[C@@H]21 1784482008 APWBEPSLNAYCBH-IAVJCBSLSA-N 393.484 -0.129 30 20 GBED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@H]2C1 1784805867 XMFUIUWHUDHTEB-XUXIUFHCSA-N 395.481 -0.401 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCCC3)[C@H]2C1 1786716043 KYPLLVWDSYEBGG-JYJNAYRXSA-N 377.441 -0.460 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1 1788552515 REJSPBWSSRSVKT-ABHRYQDASA-N 378.429 -0.567 30 20 GBED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21 1791273774 LGVNNCKLLDGREU-JYJNAYRXSA-N 399.513 -0.032 30 20 GBED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1796570632 ODIZYQNDGKXYAR-JGPRNRPPSA-N 382.384 -0.632 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC=O)C2 1799304315 DFGLQORLBKTSMC-AYDFFVQHSA-N 381.429 -0.780 30 20 GBED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(CCO)CCO 1800581522 DYMSSLHGRUBSHG-XLMAVXFVSA-N 383.489 -0.925 30 20 GBED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=S)NCC)C2 1800995575 OHBGFGMDYBJGIC-XOIINTDNSA-N 380.514 -0.137 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2ccc(O)nn2)[C@H]1c1cccnc1 1805271009 SRQDBQVTMUYKBM-SCLBCKFNSA-N 395.375 -0.015 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1839159510 ZMBULWQEXZGHQS-RHSMWYFYSA-N 385.486 -0.504 30 20 GBED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1)C(F)(F)F 1839892456 OFBCDGJCHXPRJI-HNNXBMFYSA-N 393.362 -0.351 30 20 GBED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)n1cnnn1 1840473231 KPXHIEUZMDQRSL-SUMWQHHRSA-N 391.432 -0.760 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)COCCO)C3)C2)CCC1 1840815155 ZRNLSLWCFQYHSX-GOSISDBHSA-N 381.429 -0.854 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1843336531 QTVSGEBNCDWRJZ-CYBMUJFWSA-N 378.477 -0.081 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846034357 JBQPNENVGPDSBW-HNNXBMFYSA-N 384.477 -0.723 30 20 GBED CCC(=O)N1CC[C@H](N/C(=N\C)NCCS(=O)(=O)N2CCSCC2)C1 261993737 RXUSQYSTFAVUNC-ZDUSSCGKSA-N 391.563 -0.459 30 20 GBED COCCOc1cccc(CNC(=O)CO/N=C(\N)CN2CCOCC2)c1 268587797 OLOJLPPMVZJMND-UHFFFAOYSA-N 380.445 -0.051 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CN(C)CCN1C 268852605 YJKUOCUXKJAOHT-UKRRQHHQSA-N 379.486 -0.413 30 20 GBED C[C@H](NC(=O)CNC(=O)Cn1c(=O)c(C#N)cn(C)c1=O)c1ccc(F)cc1 270565707 LHZSVTGVNVGHNW-NSHDSACASA-N 387.371 -0.449 30 20 GBED CCOCCCNC(=O)/C(C#N)=c1/s/c(=C\c2c(C)cnn2C)c(=O)n1C 284950873 AFELFJJWFDFMFK-BEHLRTARSA-N 389.481 -0.465 30 20 GBED N#Cc1cc(F)ccc1CS(=O)(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 295258723 XUAHAYUFMRBGHB-UHFFFAOYSA-N 394.428 -0.050 30 20 GBED CCCn1c(=O)/c(=C\c2cnn(C)c2)s/c1=C(/C#N)C(=O)NCCCOC 297318591 FXLGNKPRZAYSCY-IATADAHLSA-N 389.481 -0.291 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCCS(=O)(=O)N2CCCOC2)n1 349604711 UASARRYPGIOAIP-UHFFFAOYSA-N 391.475 -0.177 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1COCCO1 516938466 PICZZKNWIFQPNI-GFCCVEGCSA-N 389.455 -0.476 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCS(=O)(=O)C[C@@H]2C2CC2)cc1 597722668 GYFFWJHYPPMMPS-OAHLLOKOSA-N 397.478 -0.128 30 20 GBED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H](O)[C@H]2CCCO2)c1 600760359 JIAUUQJTRJDGMN-UONOGXRCSA-N 389.455 -0.693 30 20 GBED CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(CC(N)=O)c1=O 679753288 MDCCSOYWUVDYMZ-UHFFFAOYSA-N 399.476 -0.126 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 728533365 HDOBLMQIMPOQHJ-INIZCTEOSA-N 398.463 -0.058 30 20 GBED Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)NCC#N)[C@H](C)O)cc1C 731233622 MPOPYMKVBVOVNV-WFASDCNBSA-N 383.426 -0.486 30 20 GBED N#CCNC(=O)COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 731239718 RQGGNTGZIBXROZ-CYBMUJFWSA-N 381.410 -0.060 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C1=O 748557944 MAPOUCGHDXXLOE-GOSISDBHSA-N 399.363 -0.344 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(C)nn(C)c2C)c1=O 758076597 PSBPEUVHZDNKTM-UHFFFAOYSA-N 381.461 -0.325 30 20 GBED CCS(=O)(=O)NCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767636810 MCAAPDSLLKWAKX-NSHDSACASA-N 389.455 -0.292 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 787792137 ZDXDWNKOWUEBKR-HNNXBMFYSA-N 386.456 -0.338 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)OCc2cn(CC(=O)O)nn2)c1 819706331 XFLMUHCUDOXHPK-UHFFFAOYSA-N 378.366 -0.369 30 20 GBED C=CCNC(=O)CNC(=O)N1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C 823919680 MTLAOEMMYRPEFI-NSHDSACASA-N 386.420 -0.821 30 20 GBED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 846964611 MUMZSHKBFGOFRV-LBPRGKRZSA-N 391.519 -0.473 30 20 GBED NC(=O)[C@@]1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCOC1 848319007 FKXCWYQPQJRQBK-MRXNPFEDSA-N 380.426 -0.734 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1O 958878385 QEMBYMVOYHZYBP-ZMSHIADSSA-N 375.469 -0.318 30 20 GBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2CC(=O)NC2=O)c1 1005106917 DBRYOEFYBIYLGJ-KFWWJZLASA-N 381.392 -0.524 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H]3CCC[C@]3(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 1009272022 GZSDTPLBZRLIDM-LJPSSGMGSA-N 386.456 -0.056 30 20 GBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1n1ccnn1 1051472330 BHRBRVOWGQQZBX-AEIGPULVSA-N 384.400 -0.710 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CNC(=O)c2ccccc21 1109411947 XXXSFGFRVCJXPN-ZSGPHXLJSA-N 380.448 -0.016 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)CCOC)cc1 1116713561 MDIHSTMCHYHQRE-UHFFFAOYSA-N 383.426 -0.536 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)NCCOCCS(C)(=O)=O)CC1 1322608762 VEEXZUDENWRIKG-UHFFFAOYSA-N 375.491 -0.680 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2cc(C)ccn2)CC1 1323781092 UDQOTGPARCNTCN-UHFFFAOYSA-N 380.470 -0.244 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@H](CC)N(C(C)=O)C[C@H]1CC 1323996518 BXRBZRSVWOIZPQ-LSDHHAIUSA-N 387.502 -0.049 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(CN2CCOCC2)CC1 1323996899 GDAZZTZUEBFPEB-UHFFFAOYSA-N 387.502 -0.726 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)CCc2ccccc2)CCO1 1326173219 HLPMCCDCSKCGKD-OAHLLOKOSA-N 379.438 -0.489 30 20 GBED CS(=O)(=O)[C@@H]1CCCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1329453183 LNNQAJKBLCXMGK-LSDHHAIUSA-N 382.486 -0.389 30 20 GBED CCN(C1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1)S(C)(=O)=O 1332376848 LFINLLZSMOJWGW-MRXNPFEDSA-N 386.474 -0.864 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(C(=O)C2CCCCC2)CC1 1343309659 BZRDBZRRNMNWSO-UHFFFAOYSA-N 399.513 -0.046 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)c1 1573292706 ZYWXRXGHOREHFX-ZIAGYGMSSA-N 391.395 -0.597 30 20 GBED C=CCNC(=O)NC(=O)CN1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573341017 DTTHOMXIFHEUQC-SNVBAGLBSA-N 387.404 -0.989 30 20 GBED C=CCS(=O)(=O)CCn1c([C@H]2COCCN2)nnc1N1CCOC[C@@H]1C 1574951235 XQIVXALUCJVJDC-UONOGXRCSA-N 385.490 -0.235 30 20 GBED C#CCN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CCN([C@H](C)C(=O)NC)CC1 1588348747 KVWADSPTMAQPAX-GFCCVEGCSA-N 384.444 -0.131 30 20 GBED C=CCNC(=O)NC(=O)CN1CC[C@@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588658468 LSFRGQYFBGTRFV-SNVBAGLBSA-N 387.404 -0.989 30 20 GBED CC(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1589387145 HBPNSOBJQDDIQV-GOSISDBHSA-N 385.428 -0.063 30 20 GBED CC#CC[C@H](CO)NC(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 1602888956 BELASSWUZFXARL-CQSZACIVSA-N 377.426 -0.328 30 20 GBED CC(C)(C)OC(=O)N1CCO[C@@](C(=O)O)(C(=O)N2CC[C@@](O)(CC#N)C2)C1 1602892080 DWTRGUJCJRGOMN-DLBZAZTESA-N 383.401 -0.046 30 20 GBED CN(CCn1cc(Br)cn1)C(=O)Cn1cc(C#N)c(O)nc1=O 1638440550 WCLDKDPOPWSWGU-UHFFFAOYSA-N 381.190 -0.062 30 20 GBED N#Cc1ccccc1NC(=O)CCN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1653728148 PGNUGLYXTADPJY-IRXDYDNUSA-N 392.481 -0.026 30 20 GBED CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](CCC#N)C(=O)O 1777036218 GNVFYLAYWRCDHR-JTQLQIEISA-N 375.428 -0.028 30 20 GBED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1784198620 SGMFGNWASBFCMD-ICSRJNTNSA-N 393.484 -0.340 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccccc1=O)C2 1793342769 QFXNWKJYSWBXJH-OAFZBRQQSA-N 387.436 -0.524 30 20 GBED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=N)N)c1 1795538757 HAAQAPNTMWCPTQ-DRXBFXEBSA-N 388.403 -0.616 30 20 GBED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1 1796297382 QHAVNWNUBFSGOT-BVTUPROGSA-N 391.432 -0.160 30 20 GBED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1 1797233764 HJTWUURJFULOTD-MVJTYMMSSA-N 398.573 -0.222 30 20 GBED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2 1797740892 AXKOHFCPRSISGS-AWDQSODCSA-N 375.433 -0.520 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(O)C1)C2 1799301970 PUAVEPCFPKVBGI-GASJBNKHSA-N 380.441 -0.144 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)C(C)C)C2)C1 1831388553 USJMBYNRDNOBOU-GPMSIDNRSA-N 382.457 -0.502 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ncon4)CCO3)C2)c1 1838319824 OPZDHWYGHFGFGT-QGZVFWFLSA-N 386.368 -0.347 30 20 GBED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1838403973 JDKHTWABQQOODB-LJQANCHMSA-N 379.457 -0.731 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCO2 1839874340 WNVWFCBTASJXQM-KBXCAEBGSA-N 399.513 -0.113 30 20 GBED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840852780 ZAZUSWMFQMWFRX-QAPCUYQASA-N 380.445 -0.339 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(CC(N)=O)CC2)c1 149841243 GRRCXUCHQZUVTM-UHFFFAOYSA-N 380.470 -0.216 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)NCCCN2C(=O)CNC2=O)cc1 264427966 BVVFSINJQAVPMP-UHFFFAOYSA-N 380.426 -0.177 30 20 GBED COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN3CCOC[C@@H]3C#N)C2=O)cc1 266870634 PUQGHZMSHJZZFU-UGSOOPFHSA-N 387.396 -0.282 30 20 GBED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN2C(=O)C(=O)NC[C@H]2C1 267480932 SHLIVWRGHABXFI-HNNXBMFYSA-N 393.407 -0.675 30 20 GBED CCS(=O)(=O)NCC/N=C(/O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 331291796 KVWLIIYOGNEKKG-AWEZNQCLSA-N 389.522 -0.532 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCC[C@H]3C#N)CC2)CC1 332916554 XPUCVNYLTHSMSE-GJZGRUSLSA-N 384.506 -0.502 30 20 GBED C=C(C)CN1CCC(NC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)CC1 333405945 QOZXWDCEEOQTPJ-UHFFFAOYSA-N 385.534 -0.344 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 349457193 DQEPTOODIOIHRG-GZBLMMOJSA-N 389.499 -0.235 30 20 GBED CNC(=O)[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1ncccc1C#N 349556575 WQRNZSPEWQVPMC-SNVBAGLBSA-N 389.459 -0.861 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCNC(=O)C[C@H]1C 349607375 ZMEMQEZGEXDEDW-NWDGAFQWSA-N 380.492 -0.862 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCCS(=O)(=O)c2ccc(F)cc2)CCO1 409494106 BWHQQASGJFYZDB-GFCCVEGCSA-N 377.419 -0.342 30 20 GBED CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)NCCn1cnc(C#N)n1 431321201 QLYKNWMOKKKSFE-UHFFFAOYSA-N 393.429 -0.482 30 20 GBED CSCC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 515869882 OCWMOBMMJZZTEL-NSHDSACASA-N 393.512 -0.119 30 20 GBED C=CCCO[C@@H](C)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 522860409 SHNWWPWLUOZKOM-GJZGRUSLSA-N 387.502 -0.585 30 20 GBED CN(C)C(=O)Cn1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 562114590 GYHHPTGWBITQAZ-UHFFFAOYSA-N 390.425 -0.240 30 20 GBED CC(C)[C@H]1CN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CCN1C 570377323 NPCURBODHLIZJN-OAHLLOKOSA-N 375.477 0.053 30 20 GBED N#CC1(NS(=O)(=O)c2cccc(S(=O)(=O)N3CCC[C@H]3C(N)=O)c2)CC1 600760302 IRCYSRLLASSZHO-ZDUSSCGKSA-N 398.466 -0.341 30 20 GBED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccnn2CC)c1=O 611078557 GJNVFGWRMXMQMX-UHFFFAOYSA-N 375.454 -0.588 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 646953905 KPHFVIZXIGJFKC-KRWDZBQOSA-N 386.452 -0.097 30 20 GBED CC#CC[C@H](CO)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 649191147 MEZLFOXLKAFKAJ-CQSZACIVSA-N 379.438 -0.689 30 20 GBED Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)OCC(=O)NCC#N 737486301 CXOLCMJLIZHRCK-UHFFFAOYSA-N 383.372 -0.358 30 20 GBED C=CCNC(=O)NC(=O)CN1C(=O)c2cc(OC)c(OC)cc2S1(=O)=O 750970908 VXANXXNXMMBGFH-UHFFFAOYSA-N 383.382 -0.140 30 20 GBED C=C[C@](C)(CCOC)C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 782443422 KAOJDSYZZDMQQC-XHDPSFHLSA-N 376.431 -0.229 30 20 GBED NS(=O)(=O)c1cc(C=NNC(=S)NCCN2CCOCC2)ccc1F 807947487 XXWXPJRPOQVUSL-UHFFFAOYSA-N 389.478 -0.397 30 20 GBED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(-c3nn[nH]n3)cs2)c1=O 819758620 BXIKOYNQESDVBB-UHFFFAOYSA-N 399.461 -0.414 30 20 GBED N#C[C@@H]1CNC[C@H]1NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 843459770 IDAGSIXOWMWVIP-IIAWOOMASA-N 378.454 -0.015 30 20 GBED CCON(C)C(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 848941213 JCCMALBSNSHPKF-UHFFFAOYSA-N 390.443 -0.823 30 20 GBED CCOC(=O)CON=C(C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1)c1cc[nH]n1 861716516 VTOAFLICYIMHGA-OLZOCXBDSA-N 379.417 -0.639 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)/C=C\C(=O)NCc2ccc(OC)cc2)CC1 900560568 KATVQLDBLXYVSW-HJWRWDBZSA-N 398.463 -0.239 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](OC)C1 946467693 MERUKDPHIYALBU-DCDXPUDHSA-N 376.413 -0.293 30 20 GBED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H]2CCS(=O)(=O)N2)c[nH]1 1002885209 XIRLRAMNGQAJIU-SYQHCUMBSA-N 377.426 -0.560 30 20 GBED C#CCOc1ncccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1023972505 TZYOGRZCVTYDHV-MUIFIZLQSA-N 386.452 -0.265 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1C 1080475344 GXSQJUGHTABBSJ-MIGQKNRLSA-N 376.457 -0.388 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)nn1 1118116549 ZAWHARZQKXDPNH-CYBMUJFWSA-N 395.427 -0.521 30 20 GBED C=CCN(C(=O)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1)[C@H](C)COC 1118531829 RCYPPIZVYQCERV-CQSZACIVSA-N 382.461 -0.769 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(C3CCOCC3)c2C)CC1 1119113007 AWXIQJBMZFYIIB-UHFFFAOYSA-N 395.485 -0.232 30 20 GBED Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2=O)n1 1330411353 VZBUSZNXOVDQKN-CABCVRRESA-N 399.455 -0.770 30 20 GBED C#Cc1ccc(NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 1336557332 RTEGRDOCBUUZOM-UHFFFAOYSA-N 378.454 -0.700 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1C[C@@H](COC)O[C@H](C)C1 1339511440 GZVQLKKUCMDUKY-OLZOCXBDSA-N 390.444 -0.231 30 20 GBED N#Cc1ccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)nc1 1339593813 NEUZHOOBLGRLEB-AWEZNQCLSA-N 391.453 -0.986 30 20 GBED C=CCn1c(CN2CCC[C@H](O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1355968645 MBHZZTWBMLTCBG-GJZGRUSLSA-N 398.533 -0.109 30 20 GBED N#Cc1cncc(N2C[C@H]3C(CNC(=O)c4c[nH]c(-c5nn[nH]n5)c4)[C@@H]3C2)n1 1571120735 PCRCGLUAYLONHW-STQMWFEESA-N 376.384 -0.031 30 20 GBED C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N(CC#N)Cc2cnn[nH]2)cc1 1575722341 YBGYMCQLGGIQIP-LLVKDONJSA-N 378.414 -0.370 30 20 GBED N#Cc1cnc(N2CCC(CO)(NC(=O)CCOCc3cnn[nH]3)CC2)cn1 1577718890 ACIZBYJFMTYUOV-UHFFFAOYSA-N 386.416 -0.479 30 20 GBED CCS(=O)(=O)N(C)C1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1578414496 IZXQNRSMEUOTNF-UHFFFAOYSA-N 377.434 -0.221 30 20 GBED C#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 1588354563 PZDLOCQIURRIGU-UXIGCNINSA-N 382.428 -0.473 30 20 GBED C=CC[C@@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588546131 YCZTZFQUGOEYLY-PWSUYJOCSA-N 380.430 -0.413 30 20 GBED C=CCn1cc(C(=O)N2CC[C@H]3CN(c4nccnc4-c4nn[nH]n4)C[C@H]32)nn1 1588713235 HZIGQEPUHRSVIQ-WCQYABFASA-N 393.415 -0.215 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)O)C2)C1=O 1588837135 RANXVLQOVLPGTM-VEVIJQCQSA-N 379.413 -0.819 30 20 GBED CC(C)CN1CCO[C@H](CNC(=O)Cn2cc(C(=O)O)cc(C#N)c2=O)C1 1591365739 BNFVGMAWQULITI-OAHLLOKOSA-N 376.413 -0.109 30 20 GBED C[C@H](C(=O)OCC(=O)NCc1ccc(-c2nn[nH]n2)cc1)n1cnc(C#N)n1 1609071438 FMWKTEWMDOPEIS-SNVBAGLBSA-N 381.356 -0.250 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1778129766 BZIDTZVFPORBIV-KHYOSLBOSA-N 378.473 -0.131 30 20 GBED O=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)CN1 1783163616 XBBYJPGWGVKRKT-WECAHICPSA-N 388.424 -0.336 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1783563324 NZNMKPJCEHKODZ-IBGZPJMESA-N 382.376 -0.134 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(=O)CC)[C@H]2C1 1784363912 XUSPULXKOFUDRD-XAJHFOFHSA-N 393.484 -0.081 30 20 GBED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21)[C@@H](O)N1CCOCC1 1788646527 YEKNRNMUDMGXDV-OGNFBWPZSA-N 391.468 -0.970 30 20 GBED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 1790747840 MVQLDUYNWRKORN-ZQDZILKHSA-N 383.470 -0.153 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccn3n1)C2 1793342559 KBXBOFYGMQXZRB-PNBKFKSVSA-N 397.435 -0.029 30 20 GBED O=C1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccccc2)C3)N1 1795284714 VSNFNGOCZAOXPU-CLWJZODNSA-N 381.432 -0.094 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 1798632783 VJNIBVJSKGAKKM-JFILPPLUSA-N 376.413 -0.436 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(O)cc(O)cc1O 1799659380 WVFMCLZMHSAXII-PCCFMPIBSA-N 390.348 -0.905 30 20 GBED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)C2)c1 1800524786 XNRUNNORBZISBR-CUSZFKRNSA-N 382.420 -0.102 30 20 GBED O=C(NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1)C(O)O 1802921418 ZTKCMWQCMPWUAR-KBPCKRCHSA-N 389.456 -0.130 30 20 GBED CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)n[nH]1 1833821851 RFEHGWCLPRFDPP-SFHVURJKSA-N 389.412 -0.014 30 20 GBED CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839222590 SJWNYQZNWRATHS-KBXCAEBGSA-N 398.460 -0.620 30 20 GBED Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1839717156 VMLYINXMOLUAPZ-CXAGYDPISA-N 382.486 -0.034 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCNC(=O)C3)CCO2)C1 1840227067 DWDLCMGXVBLMND-IFXJQAMLSA-N 392.456 -0.481 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)N(CCC(N)=O)c2ccc(F)cc2)c1=O 10855678 URNFVRLZYAUATJ-UHFFFAOYSA-N 387.371 -0.051 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCS(=O)(=O)C[C@H]1C 268865328 SRIBUVSUPVWCIM-NEPJUHHUSA-N 385.467 -0.129 30 20 GBED CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCCn2cnc(C#N)n2)cc1 286957426 RYSKBIQFFFTOEJ-UHFFFAOYSA-N 390.425 -0.163 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)OCC)cc1 290014904 JMPBDTFKLXMHJO-WCQYABFASA-N 377.397 -0.030 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H]3CC(C(N)=O)=NO3)C2=O)cc1 297290818 LQUXTJMGLJVAJZ-KBPBESRZSA-N 384.396 -0.017 30 20 GBED CC(C)N1CCO[C@H](CN2CCN(/C(O)=N/C[C@H]3CN(C)CCO3)CC2)C1 329660925 OSKLKSURVQIHGX-ZWKOTPCHSA-N 383.537 -0.042 30 20 GBED Cn1cnc(NS(=O)(=O)CCCCS(=O)(=O)N2CC[C@](F)(C#N)C2)n1 349599705 BJVMWOQOKFNKNO-LBPRGKRZSA-N 394.454 -0.396 30 20 GBED C=CCN1C(=O)C(=O)N(Cc2nc(CC(=O)N3C[C@H](C)O[C@@H](C)C3)no2)C1=O 350774279 DFWNSGMNXANQCF-QWRGUYRKSA-N 391.384 -0.275 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)cs1 473354302 ZCEKVNWJCXZEQR-UHFFFAOYSA-N 381.443 -0.552 30 20 GBED CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CS(=O)(=O)CCO1 511453061 GBNVXDAGFJCRGA-LBPRGKRZSA-N 381.410 -0.175 30 20 GBED C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 539213311 IKMQZPYXDNDHIY-AWEZNQCLSA-N 387.440 -0.037 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1)c1ncn(C)n1 563420184 ODOOOVIYMNASJK-NSHDSACASA-N 398.470 -0.001 30 20 GBED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(C#N)n1 564946942 ZUDVLDWNBBYZLL-ZDUSSCGKSA-N 394.457 -0.331 30 20 GBED N#CC1(NS(=O)(=O)c2ccccc2S(=O)(=O)NCC(F)(F)CO)CC1 570739447 PDLZVTSKVGFTNF-UHFFFAOYSA-N 395.409 -0.073 30 20 GBED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 595983160 YYDDSOAOUTUUNT-NVXWUHKLSA-N 386.452 -0.020 30 20 GBED COc1cc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c(F)cc1C#N 599972314 WIPQSKDMNHLXNO-NSHDSACASA-N 375.316 -0.593 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(N(C)S(=O)(=O)CC)cc1 657774711 JBLAHAOIEHXZGZ-UHFFFAOYSA-N 382.442 -0.171 30 20 GBED CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CCO[C@H](C#N)C1 730073189 MVNKZWLZHYJKNW-CYBMUJFWSA-N 392.437 -0.423 30 20 GBED Cn1nc(Br)c2c(=O)n(CC(=O)N(CC#N)CC(=O)O)cnc21 739056579 DRKNDWLHZQHZQI-UHFFFAOYSA-N 383.162 -0.671 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2CS(N)(=O)=O)c1 769573958 BQCNTQHQEVRDQF-AWEZNQCLSA-N 399.494 -0.119 30 20 GBED CCN1CCN(CC(=O)[C@@H](C#N)C(=O)NCc2ccc(F)cc2F)C(=O)C1=O 786560363 RLTQKKVSEPAQGJ-CYBMUJFWSA-N 392.362 -0.019 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(O)CCc3ccccc3C2)CC1 831574253 BXDQGUGFQDXAJQ-SFHVURJKSA-N 377.466 -0.482 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCN1C(=O)N[C@H](C)C1=O 837582582 STODEPRMOSVOOT-MNOVXSKESA-N 394.409 -0.291 30 20 GBED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN2CCNCC2=O)c1 843390633 DRKHNLBIBHHPJG-HKWRFOASSA-N 393.469 -0.130 30 20 GBED O=C1[C@@H](NC(=O)[C@H]2CC[C@H](C(=O)N[C@@H]3CCCN(O)C3=O)CC2)CCCN1O 848136579 YMSYGPHCHBIRCC-KLRUACNBSA-N 396.444 -0.214 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)N2CCC(CC)CC2)CC1 872515956 YUJLLFCPIZLUCG-UHFFFAOYSA-N 378.520 -0.562 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OCC#C)cc2)CC1 895193327 URQHUARMVMDPAB-UHFFFAOYSA-N 390.465 -0.007 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 957600096 DFFLHXQVTCYETR-OLMMMNRUSA-N 392.500 -0.247 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c(OC)co2)C1 1024644107 PLHLEEXVVOJIOZ-OXHZDVMGSA-N 378.381 -0.459 30 20 GBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CN(c2ncccc2C#N)C[C@@H]1n1ccnn1 1051472489 LXHFNDLBTQFFNZ-UKMLZYKCSA-N 383.412 -0.105 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC(=O)NCC 1110469822 TVQSURNPARBMLW-DGAVXFQQSA-N 379.461 -0.366 30 20 GBED C#CCOCCNC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 1117323646 SJCJPMOPHQERME-UHFFFAOYSA-N 392.500 -0.407 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 1117544882 QTRZIULWBNRHBG-LLVKDONJSA-N 375.472 -0.198 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)CC2)cc1 1261162665 WNDYMMLQKPZCRT-DLBZAZTESA-N 399.451 -0.648 30 20 GBED C=C[C@H](COC)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 1320427350 XDEYVNSLTNMZJK-CQSZACIVSA-N 375.495 -0.993 30 20 GBED Cc1cc(C(=O)NC2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)no1 1321366246 IJOYTHUPYYUYFF-CYBMUJFWSA-N 383.430 -0.354 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 1323709679 BDZKYCJSRSRGPH-CQSZACIVSA-N 375.491 -0.680 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCCN(C(=O)OC)CC1)c1cc[nH]n1 1324721567 MMSMYKVPNFHUSW-UHFFFAOYSA-N 381.389 -0.006 30 20 GBED C=CCn1c(Cc2noc(C[C@H]3COCCN3)n2)nnc1N1CCOCC1 1325933987 OZTKNYRLEBRIPV-ZDUSSCGKSA-N 375.433 -0.195 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1 1326489358 AIVDLFJFSFRDPM-SFHVURJKSA-N 393.532 -0.724 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 1334084541 SSGNOABZXPJMJV-GFCCVEGCSA-N 396.494 -0.038 30 20 GBED C=CCOCc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C 1350884596 WYMHBKIFJFODOF-UHFFFAOYSA-N 378.433 -0.975 30 20 GBED CC[C@H](CNS(C)(=O)=O)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1468174470 ZPFCIMLDFASWAB-SNVBAGLBSA-N 388.471 -0.831 30 20 GBED C=CCn1cc(C(=O)N(C)C[C@H](C)NC(=O)[C@@H](C)OCc2cnn[nH]2)nn1 1575111542 GTDISYFNSWQPGZ-NWDGAFQWSA-N 376.421 -0.236 30 20 GBED CS(=O)(=O)C1(Cn2c([C@@H]3COCCN3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1579336344 YSBJRULFUSHALN-SWLSCSKDSA-N 398.464 -0.042 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)C[C@@H]32)c1 1581863543 UCBJWUJDGBSOAC-MSRIBSCDSA-N 377.368 -0.105 30 20 GBED C#Cc1ccccc1CC(=O)NC[C@@H](CO)N=c1cc[nH]c(-c2nn[nH]n2)n1 1588376482 GVRJTOACZHNQBZ-AWEZNQCLSA-N 378.396 -0.808 30 20 GBED C#Cc1cncc(C(=O)NC[C@H]2COCCN2c2cnc(-c3nn[nH]n3)cn2)c1 1588380854 NSHISYUIPXKXPH-AWEZNQCLSA-N 391.395 -0.332 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)C[C@@]3(O)CCOC3)CC2)cc1 1642226264 DMZNIHFXEMSERV-WMZOPIPTSA-N 395.481 -0.233 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)NS(C)(=O)=O)[C@H](C)C1 1757071639 DIIHHBHKCIZDCO-SYQHCUMBSA-N 387.502 -0.132 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1778247617 JNHMFYWBMXQNQH-OXQOHEQNSA-N 384.388 -0.092 30 20 GBED NC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779109305 LNNKQSXBWBGPNY-ZOSAASJSSA-N 397.432 -0.986 30 20 GBED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)S)C2)C1)N1CCN(C)CC1 1783901519 RNAIXKNJKQALGB-HDMKZQKVSA-N 384.546 -0.230 30 20 GBED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1784385103 FWYNLWTZVJODPB-DWRORGKVSA-N 391.468 -0.970 30 20 GBED CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1784445815 BJTSFIOEZYUVIO-JYJNAYRXSA-N 382.482 -0.186 30 20 GBED Cc1cn(CC(=O)N2CC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)c(=O)nc1O 1785353540 MJMSOBYIASOLBG-SFHVURJKSA-N 389.412 -0.609 30 20 GBED O=C(O)C#CC(=O)Nc1ccc(C2(NC(=O)CN3CC(=O)NC3=O)CCC2)cc1 1791443344 MMVZDEXSCFFTQM-UHFFFAOYSA-N 398.375 -0.240 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)c1ccco1 1792512723 VTRMMNOZXBHLBM-WDTWZTHCSA-N 376.409 -0.059 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1=O)C2 1793342665 YPHPUKMZQSUXQP-AFIMGQEJSA-N 377.441 -0.763 30 20 GBED C=CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)[C@@H](O)C=C 1797713727 XLDVOMADYONMGP-JBXGNFEISA-N 393.484 -0.160 30 20 GBED C[C@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797837169 RFLWDMDLNDKTDN-GANIGPRCSA-N 390.440 -0.200 30 20 GBED COC(=O)C12CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)(C1)C2 1800779046 NWUIKIJUUZXNJA-OABJUUFFSA-N 390.392 -0.993 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2ccnnc2O)[C@@H]1c1cccnc1 1811232340 IOBDNACRGNNGEB-GUYCJALGSA-N 395.375 -0.015 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(O)O)n[nH]1 1814705749 MFOFXZUBGHGQDG-DGMVEKRQSA-N 377.401 -0.429 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnn3)C2)C1 1831396911 SXSQNQGOUGOHPZ-BEFAXECRSA-N 388.424 -0.415 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1832458360 NMOHSGMFTXJINA-RLFYNMQTSA-N 399.513 -0.915 30 20 GBED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1833705121 IFAHTLFJWICCIF-INIZCTEOSA-N 383.562 -0.237 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(C)(C)O)CCO2)C1 1835260487 CKMUSNMJRDARRK-BEFAXECRSA-N 382.457 -0.358 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1839840802 MIFSGQBBPRDWLJ-YJBOKZPZSA-N 377.445 -0.053 30 20 GBED O=C1NC(=O)[C@@H](CC(=O)N2CCCC23CN(C(=O)/C=N/N2CCCCC2)C3)N1 1841960257 ONNQNKDYJBFQCB-BUESGFEBSA-N 390.444 -0.740 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)c2nccnc2C(N)=O)C1 1844595879 GMGSSVBUUBCQJU-GFCCVEGCSA-N 387.440 -0.034 30 20 GBED CN(C)C(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@@H]1CCCCO1 1847344203 AGWWZNQXSIXYAY-MSCRILIOSA-N 395.460 -0.012 30 20 GBED N#Cc1ccc(NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1Cl 267356483 FJDGRZQZHXYZDY-UHFFFAOYSA-N 399.860 -0.417 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)N1CCOCC1 271947983 CSNGPQBXDSAGGS-LBPRGKRZSA-N 380.426 -0.800 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(/C(O)=N/C[C@@]3(C)CCOC3)CC2)CC1 329563443 RZOJCTBJNYBHCR-MRXNPFEDSA-N 389.522 -0.563 30 20 GBED C[C@H]1CS(=O)(=O)C[C@H]1/N=C(/O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 329691078 ZNRNCHZYOLROBM-YNEHKIRRSA-N 381.520 -0.063 30 20 GBED C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1cccc(C#N)n1 349454281 BENKXJPGGIKRCH-DGCLKSJQSA-N 388.471 -0.130 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 349467143 MYFJAKNWAATFIO-BYNSBNAKSA-N 389.499 -0.233 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CCNC(=O)C2)CCCCC1 349534238 GEDUXQZYMRWUKV-UHFFFAOYSA-N 392.503 -0.716 30 20 GBED CCC[C@H](O)[C@@H](CO)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 411781115 IRNYIRXPMQRQEI-HIFRSBDPSA-N 389.387 0.460 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N(CCN)CCO)C2)c(F)c1 418859285 XUOMKCJGCKJEST-CQSZACIVSA-N 377.420 -0.438 30 20 GBED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCNC(=O)c1cnccn1 443080799 VFLZDAFJGWXLFC-UHFFFAOYSA-N 376.354 -0.035 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CC(N)=O)cc1 493883174 MKBNMTKPGNLZPF-LLVKDONJSA-N 382.442 -0.188 30 20 GBED CC(=O)NC[C@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCO1 524227601 RBNKYPPSIIJESW-HNNXBMFYSA-N 394.453 -0.226 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)C1=O 553350453 QOMNENAPNAWGSM-ZJUUUORDSA-N 377.319 -0.018 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 565239851 NAQXGNWDAQYHJY-ZFWWWQNUSA-N 378.454 -0.465 30 20 GBED COC(=O)C[C@]1(NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCOC1 567509120 XLAIYQKPDKDWOE-GOSISDBHSA-N 398.379 -0.084 30 20 GBED COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 581072949 BBUNUMXTFYDZQK-TZMCWYRMSA-N 381.410 -0.375 30 20 GBED C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CN(C)CCO1 589138816 IFDPMYUWPFNMOI-GOEBONIOSA-N 386.456 -0.563 30 20 GBED CCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 594627878 BPFSJIXSUHDWNL-UHFFFAOYSA-N 388.471 -0.413 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC(=O)N2)c1 595957535 VUFNJOZKVBCHEL-QWRGUYRKSA-N 386.455 -0.566 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 646950604 BOPUGISUROYSMY-CYBMUJFWSA-N 394.453 -0.305 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2CN(C(=O)OC(C)(C)C)C2)C1=O 762659729 YCFNZMYKLZMGOM-UHFFFAOYSA-N 380.401 -0.054 30 20 GBED C#CCCN1CCN(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 776593861 NWMFHPNQVRYMJD-ZWKOTPCHSA-N 397.541 -0.178 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[C@@H]1CCCO1 793585598 BTLFYJXBXXNTSL-KGLIPLIRSA-N 375.429 -0.816 30 20 GBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 799287410 QCDQWYUZQNOERQ-GFCCVEGCSA-N 397.453 -0.226 30 20 GBED COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCC(=O)NCC#N)C1=O 804821506 PMOHIXHLFQDIDF-SFHVURJKSA-N 387.396 -0.473 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@H]1CCCO1 808470892 LYISIENIWGEYHJ-YZXKGSGOSA-N 385.420 -0.793 30 20 GBED O=C(N[C@H]1CCCN(O)C1=O)c1ccc(C(=O)N[C@@H]2CCCN(O)C2=O)nc1 848131790 CVOSJHNFBYBQAU-QWHCGFSZSA-N 391.384 -0.698 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ncn(C)n1)C(C)(C)C 848962143 KTNUMUBUUXTXPZ-NSHDSACASA-N 377.492 -0.086 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH]nc1C)[C@@H]1CCCO1 848962975 FKAJOHVKSLBKTR-OCCSQVGLSA-N 390.487 -0.050 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C[C@@H]2O)nc1 969348708 SELRDKRCOORHIB-VGAPYMQISA-N 385.420 -0.584 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cccc(C)c2=O)C[C@@H]1O 970706928 QVOBXTVREHJNBJ-WCVJEAGWSA-N 375.425 -0.564 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NCC(=O)N2CCNC(=O)C2)C1 1086699159 WYHRQWPQUZJCQB-HZMVEIRTSA-N 392.500 -0.200 30 20 GBED CN(C)S(=O)(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 1092980757 MZONSTYSQMBMAQ-MCIONIFRSA-N 378.458 -0.144 30 20 GBED CNS(=O)(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(C#N)n1 1093016082 GITDADJMGHLUSC-MCIONIFRSA-N 378.458 -0.178 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCn1cncn1 1108936195 WIJSZDDCOBOSAN-RDBSUJKOSA-N 375.433 -0.599 30 20 GBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O 1110051237 UXCXRYFGHKGLKI-ATGSNQNLSA-N 376.461 -0.698 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NCCOc1ccc(F)cc1 1117069856 RXQURJVVSCRQBY-NXVVXOECSA-N 390.371 -0.037 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N(CCO)Cc1ccccc1 1117359606 MXWGJQWCNCYRJD-WUKNDPDISA-N 386.408 -0.350 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC(F)(F)F)C[C@H]1O 1193075570 HZDGNIXTTARBDR-LPWJVIDDSA-N 379.379 -0.193 30 20 GBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)[C@@H]2C1 1221862621 HELKTRVZXSNREP-YWTNHNAXSA-N 385.468 -0.430 30 20 GBED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2cccc(OCC#N)c2)C1 1258468784 JXEYIAKVUOCAAO-OAHLLOKOSA-N 394.453 -0.255 30 20 GBED N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)nc1 1318585190 HXYRTSCUGPXFSO-CYBMUJFWSA-N 398.466 -0.772 30 20 GBED O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1319116746 NHSQYUBOFNHNEZ-AKCZTASPSA-N 398.419 -0.174 30 20 GBED CN(C)CCNC(=O)c1cccc(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 1321936041 YRCVSMDMSZHUBY-MRXNPFEDSA-N 387.440 -0.655 30 20 GBED CN(C)S(=O)(=O)NCCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1324665131 GZJPMVSQFRIDKR-ZDUSSCGKSA-N 379.442 -0.577 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)CCO1 1325325316 DJFQUIVCELDWSJ-ZWNOBZJWSA-N 378.335 -0.063 30 20 GBED CN(c1ccc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cc1)S(C)(=O)=O 1326410734 WPRCNFLJCCTGFV-KRWDZBQOSA-N 394.453 -0.424 30 20 GBED CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)CC1 1327087462 GUFLDEJCQYQGRU-HNAYVOBHSA-N 375.473 -0.096 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)nn1 1332043467 JITJNZOERDOBHU-UHFFFAOYSA-N 385.428 -0.707 30 20 GBED COc1ccn2c(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cnc2c1 1515174257 UASYOIJZYWDCJA-LBPRGKRZSA-N 376.394 -0.078 30 20 GBED C=CCNC(=O)[C@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 1516659721 VUSFOELPRBEQCF-CYBMUJFWSA-N 380.426 -0.329 30 20 GBED C#CCCNCCNC(=O)[C@H]1CCCN(C(=O)[C@@H](C)OCc2cnn[nH]2)C1 1574895312 QTJRXPMUGIHVPU-CABCVRRESA-N 376.461 -0.323 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2CCCNC2)nnc1N1CCN(C)C(=O)[C@H]1C 1574937537 ZCQVVNKWCGXHLG-ZIAGYGMSSA-N 375.477 -0.286 30 20 GBED C#CCN1CCC(C(=O)N[C@H](C)CCNCC(=O)NCc2cnn[nH]2)CC1 1574966887 KCMPAVSENCACSW-CQSZACIVSA-N 375.477 -0.750 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC(O)(CNc2ccc(-c3nn[nH]n3)nn2)CC1 1588356987 HRDBWQLZBBLZCJ-GFCCVEGCSA-N 386.416 -0.540 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](NC(=O)CSCC#N)[C@@H](O)C2)n1 1591886368 DOIDUDWRCRSDMB-PWSUYJOCSA-N 389.445 -0.722 30 20 GBED CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1747111963 NWCMAILCCPESTP-HUUCEWRRSA-N 387.437 -0.194 30 20 GBED CC(=O)N(CC(=O)O)C[C@@H]1CN(S(=O)(=O)CC(C)(C)CC#N)CCO1 1776201502 QJJZSQCWKRRYQW-CYBMUJFWSA-N 375.447 -0.110 30 20 GBED CCNC(=S)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1781474192 CKVMXAWDTZBETM-CXAGYDPISA-N 381.502 -0.102 30 20 GBED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)N1CCOCC1)C2 1782196992 ADELYTWJWCQAAK-HHXXYDBFSA-N 381.473 -0.273 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C\C(=O)NC1CC1 1797608961 KSRFETPESZADQX-DJVQXVKTSA-N 389.452 -0.551 30 20 GBED C[C@H]1CCc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)n[nH]c21 1800778338 LTTDWYQFKKRSMW-PXDYOCJYSA-N 386.408 -0.249 30 20 GBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2 1800980142 AGMMXZUAUCNIJF-OVZMXSCWSA-N 381.454 -0.791 30 20 GBED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(N)=O)cc1 1802160478 KSROIAAPVFPBRM-JLVBRIDZSA-N 385.424 -0.641 30 20 GBED Cn1nncc1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1804747837 PZWRMYRRPDOTLU-SUMWQHHRSA-N 382.380 -0.382 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1831434197 SQIHYGXCKTZASE-KBXCAEBGSA-N 383.445 -0.830 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834675623 JEBIWVKMWVJGFW-MRXNPFEDSA-N 398.577 -0.005 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)C1 1837355743 HVCLNFZDLIMAIB-GOSISDBHSA-N 376.413 -0.715 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)C3CC3)C2)C1 1837390867 FCBZNBCIBWXDIA-QRWLVFNGSA-N 394.468 -0.005 30 20 GBED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C#N)o2)c1=O 255305732 CBUZOTFWPFLJHA-UHFFFAOYSA-N 384.417 -0.244 30 20 GBED COCCNC(=O)/C(C#N)=c1/s/c(=C/c2ccc(OC)c(C#N)c2)c(=O)n1C 266038796 ADRDDRJNCFBQGT-YOEZUJTHSA-N 398.444 -0.407 30 20 GBED C[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)N1CCN(C)CC1 268809807 LVDNJRAVCGHBLU-LSDHHAIUSA-N 393.513 -0.023 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](O)c1cnn(C)c1 268922291 PBURLMHLAIFUOY-NHYWBVRUSA-N 377.426 -0.192 30 20 GBED COC(=O)CCN1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 271860839 ZJMJRWKGCKQGGG-VLUKHXRESA-N 393.444 -0.208 30 20 GBED C=CCS(=O)(=O)CCNC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 273138692 WITGETAFAIBLCX-NSHDSACASA-N 392.503 -0.579 30 20 GBED C=CCCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 276440807 ONYLHVCSFOWMLQ-UHFFFAOYSA-N 394.453 -0.220 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCc2nn(C)c(=O)cc2C1)c1cc[nH]n1 278024646 QJQYCSKNLXMNCG-LTGZKZEYSA-N 388.384 -0.628 30 20 GBED Cc1cc(C)nc(-n2nc(C)cc2NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)n1 298308093 NLCTXEVAMHVVEW-UHFFFAOYSA-N 394.395 -0.042 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](O)c2cc(OC)ccc2OC)C1=O 299486340 DVDCXPATCBNXBY-ZDUSSCGKSA-N 391.380 -0.170 30 20 GBED CN(/C(O)=N/[C@@H]1CCCN(c2cnn(C)c2)C1=O)[C@H]1CCN(S(C)(=O)=O)C1 330202682 ZPQHJGOLLAGGGL-GXTWGEPZSA-N 398.489 -0.205 30 20 GBED Cc1nc([C@H]2CCN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)C2)n[nH]1 349463039 IJYFKAVYHCRKGC-JQWIXIFHSA-N 390.491 -0.546 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 409594146 GYRNMRDZPXMUNL-CYBMUJFWSA-N 382.508 -0.646 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3CN)CC2)c1C#N 420021277 TZJMLTJEVNXKTR-ZBFHGGJFSA-N 387.488 -0.118 30 20 GBED CC1(C)CN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C[C@@H](CO)O1 422112756 ZXPCXCRTOMOKFL-HNNXBMFYSA-N 387.440 -0.400 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@@H](C)[C@@H](CN)C3)CC2)c1C#N 423452755 WVYVZAFTOMXTJZ-HIFRSBDPSA-N 387.488 -0.308 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)n1 444663984 ZYOCTRGOFUOXFD-HXUWFJFHSA-N 396.451 0.488 30 20 GBED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)NC[C@@H]1COc2ccccc2O1 560078717 YUZSUNITFZLADJ-LLVKDONJSA-N 394.409 -0.100 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](C(=O)NCCN)C2)cc1 563141095 AWZZNQYALJHWCT-CQSZACIVSA-N 393.469 -0.850 30 20 GBED CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 565842165 CNFUSTZZDGIDPM-LLVKDONJSA-N 388.471 -0.366 30 20 GBED C[C@]1(O)C[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)N(CC#N)CC#N)C1 577768578 HKXSFTPBNASJTP-JNSHFYNHSA-N 398.466 -0.084 30 20 GBED CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 580263676 YPURXQAWEOMGKH-UHFFFAOYSA-N 397.395 -0.607 30 20 GBED C[C@H](N)[C@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCO1 591578201 VEQSWMZPXQUUIS-CGTJXYLNSA-N 385.468 -0.202 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)n(CCC#N)n1 600011254 FVBDQUBAWPNVKL-UHFFFAOYSA-N 394.457 -0.320 30 20 GBED CNC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CCO1 600014712 AVVXSFBOJFFBPD-LBPRGKRZSA-N 391.432 -0.395 30 20 GBED COC(=O)C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)OC 600843502 ZAOHYNCEPPMNQK-LBPRGKRZSA-N 383.382 -0.943 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)cc1 617872891 RSCNLCGTWUWRNN-KGLIPLIRSA-N 388.467 -0.307 30 20 GBED COC(=O)CN(CC#N)C(=O)[C@H]1CCC[C@@H](C(=O)N(CC#N)CC(=O)O)C1 737605090 NVXAOXGBHDMZSM-OLZOCXBDSA-N 378.385 -0.245 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(C(N)=O)c[nH]3)CC2)o1 750422002 UAUGYKXNBZOWPH-UHFFFAOYSA-N 386.368 -0.213 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H](C(=O)O)c2cccc(C(=O)OC)c2)CC1 833365352 HAHPMRVBQWNMMY-OAHLLOKOSA-N 395.437 -0.316 30 20 GBED COC[C@@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 848941740 GFPZMJZECOVQOA-NSHDSACASA-N 389.455 -0.693 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@@H]1O 964503678 NNGABLLLGKAIDP-FQLMCAECSA-N 386.412 -0.593 30 20 GBED C#CCN1CCC(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)CC1 969607413 FUCXTTRLMGNWJI-YRXWBPOGSA-N 389.496 -0.165 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(O)cc2OC)C[C@H]1O 1025711368 PETIXXAPRHDQRM-ZRJCITRHSA-N 377.397 -0.312 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)nn1 1025767793 WBTLESCVYGKILF-KLZNWCGWSA-N 382.424 -0.036 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2nnc3n2CCOC3)C[C@@H]1O 1083853978 ZPYGHKQSWUTHCM-LOUJCGABSA-N 377.445 -0.549 30 20 GBED CN(C)S(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)cn1 1093053184 SERYKKSHUQCJFW-MCIONIFRSA-N 378.458 -0.425 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)C1=O 1116992994 AIEAKDZKTKKEOI-OAHLLOKOSA-N 376.457 -0.251 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCC1CCN(S(=O)(=O)CC)CC1)[C@@H]1CCCO1 1117489410 QGROTNVUWSHAER-CABCVRRESA-N 385.486 -0.539 30 20 GBED COC(=O)CCS(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1118048902 SJESZEAPSKWJOS-LBPRGKRZSA-N 379.394 -0.080 30 20 GBED C=CCn1c(CS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1121705532 ZZFWYUMZLHKENG-AWEZNQCLSA-N 396.517 -0.249 30 20 GBED C#CCN1CCC[C@H]1c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCOC 1122402571 WQIQLHIKOLQRAP-HNNXBMFYSA-N 396.517 -0.224 30 20 GBED C=CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCN(C)[C@@H]2C)C1 1128999410 XKTPGMKFKADGDL-FPCVCCKLSA-N 375.477 -0.738 30 20 GBED N#Cc1cn(CCNC(=O)NCC2(N3CCCC3)CCOCC2)c(=O)nc1O 1226987875 LJFUZZWASQLLEN-UHFFFAOYSA-N 390.444 -0.235 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)CCN(C)C1CCN(C)CC1 1261181046 OZHPWROOMXIEAL-UHFFFAOYSA-N 388.534 -0.812 30 20 GBED C=CCN(CCOC)c1nnnn1CCS(=O)(=O)N1CCSCC1 1262406093 UZEYHVSNTHYSKC-UHFFFAOYSA-N 376.508 -0.310 30 20 GBED CN1C(=O)NC2(CCN(C(=O)C(=O)NCc3cccc(OCC#N)c3)CC2)C1=O 1324652086 PXIOEWRPEQKBNK-UHFFFAOYSA-N 399.407 -0.252 30 20 GBED C=CC[C@@H](CC)NC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1326690017 LHFULMRIVADEBL-CYBMUJFWSA-N 378.429 -0.723 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1 1328863779 FCIPRHIETTZTEZ-OCCSQVGLSA-N 394.439 -0.218 30 20 GBED C#CCSCCn1nnnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 1337202622 WMCCAKNNMIUMIO-UHFFFAOYSA-N 387.535 -0.252 30 20 GBED COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1Cc1ncn(C)n1 1555555508 VZFPXNSEKNGGJI-UHFFFAOYSA-N 375.437 -0.040 30 20 GBED C#CCN(C(=O)c1cnn[nH]1)C1CCN(C(=O)CCOCc2cnn[nH]2)CC1 1574928614 RNHPHVKTBRITHL-UHFFFAOYSA-N 386.416 -0.404 30 20 GBED C#CCO[C@H](C)C(=O)N(CCC)[C@@H]1CCN(CC(=O)NCc2cnn[nH]2)C1 1575004857 OFJVPBLLAJLNPF-GDBMZVCRSA-N 376.461 -0.228 30 20 GBED N#CCNC(=O)CN1CC[C@@]2(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCC[C@H]12 1581857751 IBBZRUIUVOPAKC-GUYCJALGSA-N 383.416 -0.439 30 20 GBED C#Cc1cncc(C(=O)NC[C@@H](CO)Nc2ncc(-c3nn[nH]n3)cc2F)c1 1588380337 BTTYJKSZPAJILZ-ZDUSSCGKSA-N 382.359 -0.020 30 20 GBED C=CCNC(=O)NC(=O)CNCCN(CC)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588658450 KXOSLULYAFZHTI-UHFFFAOYSA-N 389.420 -0.742 30 20 GBED C=CCOCC(=O)N(C)C[C@@H](O)CN(C)c1nc(C)cc(-c2nn[nH]n2)n1 1588665936 UOTDWVWDXCSIEG-GFCCVEGCSA-N 376.421 -0.577 30 20 GBED N#CCSCC(=O)N[C@@]1(CO)CCCN(c2nccnc2-c2nn[nH]n2)C1 1592679562 UWCDYVNQAYWHLI-HNNXBMFYSA-N 389.445 -0.639 30 20 GBED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779183002 RSVMQALNYRMWCZ-MGPUTAFESA-N 399.451 -0.162 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1784034915 GFAICLHBFDSEBZ-AUSJPIAWSA-N 393.484 -0.084 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]21 1784481314 NTBNBLISDGFFRK-KTSXYBPLSA-N 376.453 -0.103 30 20 GBED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@](C)(O)CC(=O)O)C2 1792634525 IICMTVROGKOLMN-TYYYEBLRSA-N 381.429 -0.258 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1O)C2 1793355021 XUKYFCJTONKRJI-VWPFQQQWSA-N 391.424 -0.120 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)ON=C(C)C)C2 1796321760 ZLWBXJKPJQCNRL-AHDPXTMNSA-N 397.476 -0.176 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 1798393243 LRXPWPBWDVLQBY-NDKCEZKHSA-N 392.456 -0.204 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(O)nn2)C3)c1 1798693434 YNGCXUCHRIZWRK-DRXBFXEBSA-N 382.380 -0.101 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOC)C2 1799303938 OABBHLOYKXVNJU-JLVBRIDZSA-N 398.456 -0.252 30 20 GBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800395543 KVSBMBXCWKPCLO-UJPOAAIJSA-N 376.500 -0.529 30 20 GBED CCOC(=O)O[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800779081 RORBUFWGYFJVLL-OHTBPHCPSA-N 382.369 -0.774 30 20 GBED C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2)n1cnnn1 1826985640 WACLZRNGMRTCTB-BDAKNGLRSA-N 389.397 -0.609 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cocn3)C2)C1 1831391343 NRWYPYJYXJOZGA-KSSFIOAISA-N 377.397 -0.217 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCOC3)C2)C1 1831403289 ZPGOECYAYYIZLF-JTDSTZFVSA-N 380.441 -0.482 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833410740 NRJKUCFWQFTOGX-BZNIZROVSA-N 384.458 -0.486 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1835405769 MLSIUOZCOKMVFN-FQEVSTJZSA-N 389.452 -0.521 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1839871729 NLXMMEJAHZZRRT-YZVOILCLSA-N 379.457 -0.209 30 20 GBED COc1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840157795 AWXCGCBOKUMFIO-SJCJKPOMSA-N 396.469 -0.127 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1840167234 FBFPJQSGHCEQPL-FQEVSTJZSA-N 391.468 -0.131 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2 1845188626 NWGONNDQOHIJDR-KRWDZBQOSA-N 395.456 -0.650 30 20 GBED O=C(C/N=C/c1ccco1)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846460349 DUZXWONPPKKRNQ-AWQFTUOYSA-N 384.392 -0.173 30 20 GBED N#CCSCC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 58230156 NMQOYHHMICBWEN-UHFFFAOYSA-N 383.499 -0.094 30 20 GBED C/N=C(/NCC1(N(C)C)CCOCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 262816041 VPHFFOFBEKOUGB-MRXNPFEDSA-N 381.521 -0.004 30 20 GBED Cn1cc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(=O)n(C)c1=O 266005011 HVMGHFBTIYVJBK-UHFFFAOYSA-N 391.409 -0.472 30 20 GBED CC(=O)N[C@@H]1CCCN(C(=O)CN2CCN(c3nccnc3C#N)C[C@H]2C)C1 268268804 GVKKIOIWDMYPFA-GDBMZVCRSA-N 385.472 -0.014 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C 281501735 QRQJCUAKZYXGNO-HNNXBMFYSA-N 388.424 -0.039 30 20 GBED C=CCn1c(S(=O)(=O)CC(=O)NCc2ccc(COC)cc2)n[nH]c1=O 284182626 XRLUPTHYSSAKEA-UHFFFAOYSA-N 380.426 -0.006 30 20 GBED C[C@H](O)CN(C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[C@@H](C)CO 297599441 ANPBQXSXVMUGJV-KBPBESRZSA-N 375.429 -0.808 30 20 GBED C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 297802309 KHDFYTREHBEBFK-QGZVFWFLSA-N 399.495 -0.273 30 20 GBED CS(=O)(=O)[C@H]1CCCN(/C(O)=N/CCS(=O)(=O)N2CCSCC2)C1 329638992 ZBPRUNDVTHCGKY-LBPRGKRZSA-N 399.560 -0.212 30 20 GBED CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 349517944 GDUPEGLJUVEOJL-CHWSQXEVSA-N 379.504 -0.083 30 20 GBED CC1(C)CN(S(=O)(=O)CCCCS(=O)(=O)NC2(C#N)CC2)C[C@@H]1O 349601382 DXUSVUDIAQMKII-LBPRGKRZSA-N 379.504 -0.225 30 20 GBED CC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)Nc2ccc(C#N)cn2)C1 349622531 RKWZJPSAZMZNLC-UHFFFAOYSA-N 388.471 -0.128 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nnnn2CC2CCOCC2)c1=O 370120236 INQJLSCSECODLB-UHFFFAOYSA-N 389.416 -0.995 30 20 GBED COc1ccc([C@H](C#N)N2CCN(C(=O)Cn3ccc(=O)n(C)c3=O)CC2)cc1 505742681 VOAAXGSPQKPQHT-KRWDZBQOSA-N 397.435 -0.035 30 20 GBED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)n1 513018514 QUDYNGOPALMKOO-UHFFFAOYSA-N 399.342 -0.510 30 20 GBED N#Cc1cccc(CNC(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)c1 519907990 ZYSGILFKEKMWDZ-UHFFFAOYSA-N 385.468 -0.349 30 20 GBED C=CCC(C)(C)CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 551837881 QCZVNWVOKOCZPS-UHFFFAOYSA-N 377.445 0.399 30 20 GBED CC(=O)NCCNS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 573933969 MOMKQDKOWGPLEE-UHFFFAOYSA-N 386.455 -0.565 30 20 GBED CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C)c(C#N)cn1 579490618 BGUVZUNOAIUEID-GHMZBOCLSA-N 375.385 -0.227 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C 590983150 CWNCSUBJPYZDTA-UHFFFAOYSA-N 391.424 -0.140 30 20 GBED C=CCNC(=O)NC(=O)CN1CCN(CC(=O)NC(=O)NCC=C)[C@@H](C)[C@@H]1C 595887001 QQHSYWUZAMSODI-KBPBESRZSA-N 394.476 -0.595 30 20 GBED N#CC1(NS(=O)(=O)c2cccc(S(=O)(=O)N[C@H]3CCNC3=O)c2)CC1 595958232 ZCRXKNPYJCGVNF-LBPRGKRZSA-N 384.439 -0.812 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC3(CC2)C[C@@H]3C(=O)OC)c1=O 733792117 LCGDYJXZQWBMHJ-CQSZACIVSA-N 390.440 -0.224 30 20 GBED C[C@H](CC(=O)Nc1cnn(CC(N)=O)c1)/N=C1/NS(=O)(=O)c2ccccc21 742542939 AVPBVYLFWYKPRN-SNVBAGLBSA-N 390.425 -0.176 30 20 GBED COC(=O)CNC(=O)COC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745496368 LWZPRGLDAMWNBI-SNVBAGLBSA-N 397.409 -0.664 30 20 GBED N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CCC1 771079686 WOSGUFMMRKVOER-IMIFBBOLSA-N 377.422 -0.067 30 20 GBED N#Cc1ccc(CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nc1 780643271 QDQUJBBRABOHHT-UHFFFAOYSA-N 386.412 -0.834 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1)[C@@H]1CCCO1 786129217 KXGXQHZLMBFGJP-IRXDYDNUSA-N 385.468 -0.253 30 20 GBED CC(=O)N[C@@](C)(C(=O)N[C@@H]1CCCN(O)C1=O)c1ccc(S(C)(=O)=O)cc1 820477068 UCIVMXZUZFYJCJ-RHSMWYFYSA-N 397.453 -0.062 30 20 GBED C#CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1)C(=O)OC 837928541 FHYNMSAUOHHAMP-CQSZACIVSA-N 396.421 -0.177 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCN1C(=O)CCNC1=S 847566234 VRAWHHRPLZKTBK-LBPRGKRZSA-N 387.469 -0.118 30 20 GBED N#Cc1ccc(OCC(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 916459461 ISCMSHYDXULRHA-LBPRGKRZSA-N 395.393 -0.507 30 20 GBED CNC(=O)CN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 920305305 KNVGMEBBVZWLQE-UHFFFAOYSA-N 393.469 -0.995 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)c3cc(=O)n(C)o3)C[C@@H]21 960978553 PHBNJGNKTNJIRA-UKTARXLSSA-N 377.397 -0.379 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@@H]1O 964169804 CKMLXURRWRNHAS-GUSZCTEKSA-N 390.440 -0.052 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CCO2)C1 965486366 FGMUNKDHSYBYIM-WCVJEAGWSA-N 391.468 -0.258 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2CCCS2(=O)=O)[C@@H]1C 990135332 SDBLBYAWIGGPLQ-KBXIAJHMSA-N 385.486 -0.281 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(C)nc2O)C1 1023774070 VNWNVIMOSZOCGN-MIGQKNRLSA-N 390.440 -0.379 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c(OC)ncnc2OC)C[C@H]1O 1025712199 IFPDEGQBGQEMDJ-LPWJVIDDSA-N 392.412 -0.614 30 20 GBED Cc1ccc2c(n1)c(=O)c(C#N)cn2CC(=O)NCCCN(C)S(C)(=O)=O 1116356058 BGOYAHRHPRRFDZ-UHFFFAOYSA-N 391.453 -0.026 30 20 GBED C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 1194831477 FUCNNCAOJZYPPX-LPWJVIDDSA-N 390.278 -0.131 30 20 GBED CN1CCC(N2CC[C@H](NC(=O)NCCn3cc(C#N)c(O)nc3=O)C2)CC1 1222012217 YPYXBUBHNOYUTR-AWEZNQCLSA-N 389.460 -0.712 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CCN(CC(=O)NCC#N)[C@H]3C2)O1 1223500355 QXJBUBGRTCSXMH-FXUDXRNXSA-N 391.472 -0.815 30 20 GBED N#CC1(c2ccccn2)CCN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1 1261163543 SASJABYGORZQEX-KBPBESRZSA-N 385.424 -0.386 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2Cc2cscc2C)CC1 1262390957 UGUBVZVWLNMFJW-UHFFFAOYSA-N 381.487 -0.319 30 20 GBED Cn1cc(S(=O)(=O)NN=CC2CCC3(CC2)OCCO3)c(=O)n(C)c1=O 1321793678 GRLXLACQQXVKCN-UHFFFAOYSA-N 386.430 -0.719 30 20 GBED C=C[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1325419497 MVNDLNCWWWPUHX-HNNXBMFYSA-N 392.456 -0.917 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CNC(=O)c2cccc(Cl)c2)CC1 1329902038 SMCVNLFWODAFOD-UHFFFAOYSA-N 398.872 -0.318 30 20 GBED C=CCn1c(C[C@H]2CCNC(=O)C2)nnc1N1CCN(CC(=O)NCC)CC1 1339015065 QSOBCFAGXIRFDW-OAHLLOKOSA-N 389.504 -0.209 30 20 GBED Cn1c(CCCS(N)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1348523563 RNKLHINQJGYJNB-UHFFFAOYSA-N 390.473 -0.371 30 20 GBED C[C@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C2)CC1 1573569826 FVRBECXOHFYQSP-CHWSQXEVSA-N 382.432 -0.461 30 20 GBED C#CCO[C@H](C)C(=O)N(CCC)[C@H]1CCN(CC(=O)NCc2cnn[nH]2)C1 1575004860 OFJVPBLLAJLNPF-ZBFHGGJFSA-N 376.461 -0.228 30 20 GBED C#CCNC(=O)CN1CC[C@H](N(CCC)C(=O)[C@@H](C)OCc2cnn[nH]2)C1 1575004920 PSRJQEBZBWVICY-ZBFHGGJFSA-N 376.461 -0.228 30 20 GBED N#Cc1cc(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3cnn[nH]3)nc2)c[nH]1 1577712399 LSIDKQLFWMFBDO-CYBMUJFWSA-N 380.368 -0.413 30 20 GBED CS(=O)(=O)C[C@H](O)CNC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1580159338 YLHDJDYNNQIYQP-QWHCGFSZSA-N 378.414 -0.929 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cn3)C[C@@H]2O)c1 1581862444 BTCMQDJYKLYODJ-OCCSQVGLSA-N 379.384 -0.169 30 20 GBED N#Cc1ccc(CNC(=O)CCn2cc(-c3nn[nH]n3)c(O)nc2=O)cc1F 1581869999 PIAPTRWDNGUQJZ-UHFFFAOYSA-N 384.331 -0.154 30 20 GBED N#Cc1nccnc1NC[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1581885963 SNZKBHJSAABCOL-SNVBAGLBSA-N 380.372 -0.190 30 20 GBED Cc1ccc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)O)cc1S(=O)(=O)NCC#N 1600331874 QPGHLCOUIOHUDI-GFCCVEGCSA-N 394.409 -0.836 30 20 GBED CC(C)C#CC(=O)N[C@@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1603188813 GLIGYTOIZLDZOQ-SFHVURJKSA-N 385.428 -0.063 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](O)C[C@H](C(=O)O)C2)cc1 1608183656 FSQZCWCJKSILNU-STQMWFEESA-N 381.410 -0.214 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 1609492783 APTDTLMJICFYIX-CHWSQXEVSA-N 380.372 -0.338 30 20 GBED N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCOCC2)CCO1 1750387367 WWEHBAQPHJKFSF-CQSZACIVSA-N 390.444 -0.216 30 20 GBED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)C=CC4=O)C[C@@H]32)C1 1783468229 URJPLGZJNZOUCH-BPUTZDHNSA-N 387.436 -0.143 30 20 GBED COCCn1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n1 1783561884 NZCIOZOXMHKZPH-GOSISDBHSA-N 390.396 -0.939 30 20 GBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2C1 1786262032 RGFXAUGPSRCYJW-ZQIUZPCESA-N 399.451 -0.367 30 20 GBED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C(C)=O)CC3)[C@H]2C1 1788247521 FNIIOUYQIRWGMH-BZSNNMDCSA-N 392.500 -0.294 30 20 GBED CC(=O)O[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)C(C)C 1791076714 FNLISEVXYKJRNO-YRBFXIGRSA-N 394.424 -0.358 30 20 GBED C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792628979 BJLDGQGUJLKGGU-YIYPIFLZSA-N 385.486 -0.194 30 20 GBED Cn1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)c1 1794903525 VHSQRUQESTVMGM-MIFYACCESA-N 388.472 -0.095 30 20 GBED Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)no1 1797827949 CEDQELQLHDTWOU-FVCICTRLSA-N 389.412 -0.394 30 20 GBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(N2CCN(C)CC2)CC1 1799192658 BZBXGHIMGMOMGO-LVQVYYBASA-N 396.557 -0.326 30 20 GBED N=C1NCCN1CC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1807119147 PRBDYPFCWKTVJQ-KDOFPFPSSA-N 398.423 -0.985 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccnnc2O)[C@H]1c1cccnc1 1812879538 ATRFVIWQSZMFHJ-GUYCJALGSA-N 395.375 -0.015 30 20 GBED Cc1nn[nH]c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056071 LPMBQWAHRGWKAN-QGZVFWFLSA-N 376.417 -0.267 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1831466229 OQGNYMQTHIQGJJ-WMLDXEAASA-N 388.486 -0.300 30 20 GBED N#CCCC(=O)NC1CCN(C2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1834605603 KABBEPBDRKUWLI-UHFFFAOYSA-N 389.504 -0.298 30 20 GBED Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1839717157 VMLYINXMOLUAPZ-DYVFJYSZSA-N 382.486 -0.034 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1839808781 ARANDBAORIEEIK-IBGZPJMESA-N 399.407 -0.966 30 20 GBED C#CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 14936854 BAPNCRXYRKWAAI-UHFFFAOYSA-N 393.465 -0.093 30 20 GBED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1 21224660 TWIYBIBGZHWAOK-ZDUSSCGKSA-N 385.467 -0.128 30 20 GBED CN(C)C(=O)C/N=C(\NCC(=O)N(C)C)N[C@@H]1CCO[C@@]2(CCSC2)C1 262282092 JGNXEOHXTNWPAS-DYVFJYSZSA-N 385.534 -0.247 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CC(=O)NC)CC2)ccc1F 268042035 YIGGRLPOCMDTDK-UHFFFAOYSA-N 398.460 -0.206 30 20 GBED C=CCCOCCNC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 283711596 CPHDBNPVLSPCOQ-UHFFFAOYSA-N 390.488 -0.186 30 20 GBED COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(=O)Nc1ccc(C#N)cn1 294811122 PSFZLWVGZUMWME-LBPRGKRZSA-N 375.385 -0.288 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3ccccc3)CC2)C1=O 299495677 GXTHKJIJXMRALK-UHFFFAOYSA-N 384.392 -0.052 30 20 GBED CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CC(=O)NC1=O 299585929 ZMBWXTYAQYUVMP-ZDUSSCGKSA-N 378.410 -0.244 30 20 GBED CS(=O)(=O)NC[C@H]1CCCN(/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)C1 328833577 WFRCYJBKUQUWKY-CHWSQXEVSA-N 396.535 -0.414 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCc2nn(C)cc21 349534717 IXYYQZJLSFNXIW-AWEZNQCLSA-N 389.503 -0.108 30 20 GBED CC(C)(O)CNS(=O)(=O)CCCS(=O)(=O)Nc1cc(C#N)ccn1 349575505 OWANCVYYKQSWFT-UHFFFAOYSA-N 376.460 -0.225 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)NCc1ccno1 349610067 BVYKXBFRYWEHFF-NSHDSACASA-N 394.500 -0.245 30 20 GBED COC(=O)C[C@@H]1COCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 376544060 YJYBUTUKZVKYEN-CQSZACIVSA-N 391.428 -0.233 30 20 GBED Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472877029 QCIDXPIZOXCQNN-UHFFFAOYSA-N 397.439 -0.105 30 20 GBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(Cl)c(CN2CCOCC2)c1 508941588 IUEAWTQOWNDUSL-UHFFFAOYSA-N 393.831 -0.133 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCn4ccnc4C3)CC2)c1 519565110 CNCPEEDWOGXCLS-HNNXBMFYSA-N 379.424 -0.070 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(OCCO)CC3)CC2)o1 536000623 DWUPQLRTEDFMOZ-UHFFFAOYSA-N 377.445 -0.023 30 20 GBED C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 539654842 PXIQXRSQJOWAPX-UHFFFAOYSA-N 385.446 -0.390 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC2(OCCO)CCOCC2)c1 562208730 ZANVVOHSHQSYEE-UHFFFAOYSA-N 397.453 -0.489 30 20 GBED COC[C@H](CCO)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 575002609 RGCRCTWVVJBFBH-NSHDSACASA-N 377.444 -0.836 30 20 GBED N#Cc1cccc(OC2CCN(C(=O)C(=O)NCC(=O)N3CCNCC3)CC2)c1 583015036 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GBED CC#CC[C@H](CO)NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 645882388 MSCLTXNWKNMKQI-PIGZYNQJSA-N 395.437 -0.198 30 20 GBED CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CCO[C@@H](C#N)C1 730073190 MVNKZWLZHYJKNW-ZDUSSCGKSA-N 392.437 -0.423 30 20 GBED C=CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 735430127 YPVZZKQTDWLQRV-SNVBAGLBSA-N 394.413 -0.621 30 20 GBED C#CCOCCC(=O)OCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 756305254 SCSJZLQDPUAXIX-LSDHHAIUSA-N 387.454 -0.236 30 20 GBED COC(=O)C[C@@]1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCOC1 766785773 WHXQYPXVMRKSLT-INIZCTEOSA-N 381.410 -0.437 30 20 GBED COC[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 778505724 LRLNNSQGJSECKQ-JQWIXIFHSA-N 383.426 -0.192 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 799285831 AYOVJSZKMNKVFH-KRWDZBQOSA-N 387.436 -0.083 30 20 GBED C#Cc1cc(F)c(NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C)c(F)c1 802574106 DSAJFYUMWNFHKM-UHFFFAOYSA-N 388.396 -0.167 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C2CCC(OCCOC)CC2)CC1 831574762 OULPQBWQXYOFIB-UHFFFAOYSA-N 387.502 -0.180 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](NC(=O)N(C)C)C2)c1=O 840147077 PCJIOXKETDBQNU-AWEZNQCLSA-N 392.460 -0.763 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 859215383 FHMLLNCWRPOADE-MRXNPFEDSA-N 378.454 -0.617 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 1057733374 KRMCVWXERVQVQT-FPCVCCKLSA-N 381.473 -0.181 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(CC(=O)Nc3cnccn3)C[C@@H]21 1083198848 UJXGXEOKZOXWKY-FXUDXRNXSA-N 387.440 -0.082 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnc2c(c1)nnn2C 1110826506 OMOATFZOLXEPAQ-MEWXFMAXSA-N 381.440 -0.164 30 20 GBED Cc1cc(NC(=O)C(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)n(CCC#N)n1 1319920144 VEBNMFXFQXLUKB-CHWSQXEVSA-N 376.417 -0.204 30 20 GBED O=C(NC1CC1)N[C@H]1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1320303472 TVYXDYFCGURRQX-VCHHOEMESA-N 376.417 -0.242 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1324877554 DOPIHZWGVATLIV-UHFFFAOYSA-N 392.500 -0.312 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@](COC)(C(=O)OCC)C2)nn1 1325986646 MSNVVEULYNCJGM-SFHVURJKSA-N 393.444 -0.101 30 20 GBED COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1=O 1326109274 AYXKSFRNOBJPLS-ORAYPTAESA-N 386.408 -0.206 30 20 GBED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(OCC#N)cc1 1328563554 CEMGPWLZEWTWLB-CQSZACIVSA-N 394.453 -0.255 30 20 GBED N#Cc1ccc([C@H](N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C(N)=O)cc1 1340940243 OAVBXVTUZNGNII-PMPSAXMXSA-N 378.454 -0.828 30 20 GBED C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1344898331 KETIHOQFVXLLHI-QOHXFFFDSA-N 389.481 -0.030 30 20 GBED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1540531507 NRJMFVRFNVFCGU-LBPRGKRZSA-N 388.428 -0.978 30 20 GBED CO[C@@]1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1554725368 YKQXGJIJKLAYBP-KBXCAEBGSA-N 390.444 -0.065 30 20 GBED N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCOC2)C1 1555986461 LNHKRXVPWQEIQC-DLBZAZTESA-N 378.408 -0.006 30 20 GBED C#CCN1CCC(C(=O)NC[C@@H](C)CN=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1573282246 HHQDAYRSVMEDMR-ZDUSSCGKSA-N 383.460 -0.412 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2cnc(-c3nn[nH]n3)cn2)C1 1573286365 ZTXBYLXKFZUTMU-ZFWWWQNUSA-N 381.444 -0.209 30 20 GBED CN(C)S(=O)(=O)C[C@H](Nc1cnc(-c2nn[nH]n2)c(C#N)n1)C(F)(F)F 1578996443 NXBBLSKIYLSAKS-ZETCQYMHSA-N 391.339 -0.237 30 20 GBED N#Cc1cc(C(=O)N[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C[C@H]2O)c[nH]1 1581865547 LFHGAJNNUPWJJI-DZGCQCFKSA-N 379.384 -0.169 30 20 GBED N#Cc1cc(F)ccc1CS(=O)(=O)NCCn1cnc(-c2nn[nH]n2)n1 1581866490 FMAWGWXODZBUFR-UHFFFAOYSA-N 377.365 -0.411 30 20 GBED C#CCNC(=O)CN1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 1588354644 TWLVQWSARHDVDD-UHFFFAOYSA-N 382.384 -0.014 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1c1cc(C)ncc1-c1nn[nH]n1 1588357334 LQYZZKLDTDJADY-KBPBESRZSA-N 385.428 -0.070 30 20 GBED N#CCNC(=O)CNC[C@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CCCC1 1592677268 ALRJLHJJPNJHMZ-AWEZNQCLSA-N 385.432 -0.287 30 20 GBED N#CCNC(=O)CN[C@H]1CCCCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1592677608 GUINOLILSNBULR-LBPRGKRZSA-N 385.432 -0.191 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CCN(c2nccnc2-c2nn[nH]n2)C1 1602721647 RKXQNTYPWGOKSF-KBPBESRZSA-N 381.444 -0.209 30 20 GBED C=CCOCCCC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1602869418 CYBBGGUXTRRZAC-UHFFFAOYSA-N 389.416 -0.519 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 1602883684 FVCZNPDAIXNDCK-UPJWGTAASA-N 388.432 -0.497 30 20 GBED CN(C)CC(=O)N1CCN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)CC1 1604677873 STKIRYCBAZOPOJ-MRXNPFEDSA-N 396.455 -0.219 30 20 GBED COC[C@](C)(C#N)NC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1605042174 PCNFIHNDLWYUFH-AWEZNQCLSA-N 379.402 -0.810 30 20 GBED CC(C)NC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1761261748 RBLRAAPUADTPBB-ZDUSSCGKSA-N 375.433 -0.346 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)c1 1780333267 WGPJQJGBFZYDNA-LJQANCHMSA-N 387.440 -0.338 30 20 GBED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(C)C(=O)C(=O)O)C1 1781546693 UITFOGLHUZEOHN-AUUYWEPGSA-N 393.440 -0.543 30 20 GBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783686250 JNBTUTRGFPEHCB-LJQANCHMSA-N 398.456 -0.854 30 20 GBED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2 1784198080 XHKIXXSCXZUCOZ-LJQANCHMSA-N 375.473 -0.150 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)NCC(C)C)C[C@@H]21 1784482284 KGZXWZSDNBFSSK-QAETUUGQSA-N 393.484 -0.223 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cncn3)[C@H]2C1 1787084987 LMSUJRIJNBRUNQ-UGUYLWEFSA-N 375.429 -0.704 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@](C)(O)CC(=O)O)C[C@@H]21 1791266943 MUYCAIOHGMQZTP-SMXCXOSKSA-N 388.486 -0.100 30 20 GBED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](COC)NC(C)=O)C3)C1 1792440870 BCLPFJZNSQNQHQ-YVSFHVDLSA-N 379.457 -0.307 30 20 GBED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(O)O 1792902557 SHJKDXXZGGYFBR-CRWXNKLISA-N 395.456 -0.148 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CCC(N)=O 1795976154 UVRXYUFGORZAGN-AICCOOGYSA-N 380.489 -0.210 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccncn1 1796518784 VGUKCGKTVROOAX-MIFYACCESA-N 386.456 -0.038 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 1797708379 UYPZLPSMMKNHKV-JTTNIQEDSA-N 379.457 -0.572 30 20 GBED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797808881 SPSDZJANXAYQFV-WQDJSCAQSA-N 393.484 -0.580 30 20 GBED CN1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)C1 1801559702 ZMZZKAUJXADHDQ-RVEJDWRBSA-N 377.489 -0.391 30 20 GBED N#CCC(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804185824 KJYRXIJOHLSHPT-GUYCJALGSA-N 384.396 -0.447 30 20 GBED C#CC(=O)NC[C@@H]1CCN(C(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1812528256 IXCQRGKMVPSOAR-RXVVDRJESA-N 397.479 -0.115 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1829926920 VLFXLRMHCUHDTE-KBXCAEBGSA-N 380.397 -0.900 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1829961795 SZDUEACKRNAWPY-KXBFYZLASA-N 377.441 -0.618 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1831418594 FDXGMBJATFEEDB-QWQRMKEZSA-N 397.428 -0.858 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1noc(C)n1)CCO2 1832934025 QSMWEIGATSNVCQ-GOSISDBHSA-N 376.413 -0.210 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H]4CCC(=O)N4)CCO3)C2)CC1 1835305213 WECDKYBCYCLCSQ-FZKQIMNGSA-N 376.413 -0.975 30 20 GBED CNC(=S)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC#N)CCO2 1835356801 NAFZJPUELQWGHV-QGZVFWFLSA-N 397.501 -0.769 30 20 GBED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CN)CCO3)C2)c1 1835552771 BDLIOVXHDURUCK-GOSISDBHSA-N 376.388 -0.274 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1835672988 QBYSMQKIEJMHHH-GOSISDBHSA-N 377.445 -0.362 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1839809156 SJSXZEJCWYMMFQ-FQEVSTJZSA-N 395.419 -0.030 30 20 GBED CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840195374 YAYCMOZTCXDUEW-LPHOPBHVSA-N 396.509 -0.030 30 20 GBED C=CC/N=C(\NCC(=O)N(C)C)N1CCN(c2nccn3cnnc23)[C@H](C)C1 262354028 ZIZXSVGLDUTVIF-CQSZACIVSA-N 385.476 -0.145 30 20 GBED C/N=C(/NCCS(=O)(=O)NCc1ccccc1)N1CCN(C(C)=O)CC1 263273710 XPARQUAOORQTPF-UHFFFAOYSA-N 381.502 -0.155 30 20 GBED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)CC1 267620418 XVGOYWTUVKLJBV-UHFFFAOYSA-N 387.440 -0.288 30 20 GBED C=CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 282342134 RRQMSYKEMIYIIK-UHFFFAOYSA-N 380.416 -0.139 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 290129302 SYTBHZITWLGSKP-CJNGLKHVSA-N 389.408 -0.698 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO)CC2)c1C#N 297785168 NTZKAODZLLWOTJ-NWDGAFQWSA-N 395.485 -0.438 30 20 GBED C=CCn1c(=O)/c(=C\c2cscn2)s/c1=C(/C#N)C(=O)N1CCOCC1 299051738 LRZLYQPKANKJNB-IHRRDAEPSA-N 388.474 -0.086 30 20 GBED CC(=O)N1CCN(C(=O)CC/N=C(/O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 330261902 UOGSJDHYPGKZON-CQSZACIVSA-N 381.477 -0.030 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H]3CNCCCO3)C2=O)cc1 418899586 BXOQKSGRTJDTHZ-IRXDYDNUSA-N 399.451 -0.335 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C(COC)COC)CC1 422432817 NOSVTGWFNSCMAN-NVXWUHKLSA-N 383.489 -0.111 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC(n3cc(C(N)=O)nn3)C2)c1 501995581 UYWUUNLRXTWLHC-UHFFFAOYSA-N 390.425 -0.462 30 20 GBED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 546002793 PDSHRACISORCRJ-UHFFFAOYSA-N 399.407 -0.545 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCC3(O)CCOCC3)n2)c(F)c1 548135189 ANMCWZKSJXNWLI-UHFFFAOYSA-N 387.371 0.479 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1 565664964 WAXCCJIZQQKCTC-UHFFFAOYSA-N 381.439 -0.023 30 20 GBED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 566926994 SDSOJHMTIBONMI-MNOVXSKESA-N 393.350 -0.131 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCCS2(=O)=O)c1 573145611 MJWQVDAVBJWHQL-CQSZACIVSA-N 385.467 -0.080 30 20 GBED Cc1nc2n(n1)CCN(S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)C2 579978575 WNCPBPDRGITJJF-UHFFFAOYSA-N 396.454 -0.407 30 20 GBED C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 580216639 APWAUTBKISDUDI-SAHAZLINSA-N 393.512 -0.124 30 20 GBED C[C@H]1[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)CCN1C 581618260 WBHLFUANMRBNEY-QWHCGFSZSA-N 380.536 -0.048 30 20 GBED COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 592913470 ZRHTWTCHYZRVIX-UONOGXRCSA-N 395.437 -0.125 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cc(O)cc(C#N)c3)CC2)CC1 614295300 KSRJZTDLERFQDG-UHFFFAOYSA-N 393.469 -0.486 30 20 GBED N#C[C@@H](C(=O)CN1C(=O)CCc2ccccc21)C(=O)N1CCS(=O)(=O)CC1 732910579 QXGPWLHSSKEEMP-AWEZNQCLSA-N 389.433 -0.068 30 20 GBED C#CCN(C(=O)COc1cccc(-c2nn[nH]n2)c1)[C@H]1CCS(=O)(=O)C1 735374079 BBIKVNUVNUMPJE-ZDUSSCGKSA-N 375.410 -0.106 30 20 GBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)N(CCC#N)CCC#N 756749100 KUEXNTSZTQDSIW-LBPRGKRZSA-N 396.429 -0.714 30 20 GBED C#CCC[C@@H](O)CNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 799070068 INLIRFBFWJABCB-LLVKDONJSA-N 384.414 -0.065 30 20 GBED C#C[C@H](NC(=O)C(=O)NC1CCN(C2CCN(C)CC2)CC1)[C@@H]1CCCO1 804009673 XQHWNIFCEIRWHP-ROUUACIJSA-N 376.501 -0.042 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2n[nH]c(C)c2Br)CC1 831556175 JMDNJSQYBBNKGZ-UHFFFAOYSA-N 390.263 -0.294 30 20 GBED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cnn(C)c2)c1=O 837522020 ZZSACLOZJFUWKJ-GFCCVEGCSA-N 389.481 -0.293 30 20 GBED C#CCNS(=O)(=O)c1ccc(S(=O)(=O)N=c2nc[nH]n2C(C)C)cc1 848943197 PEGDPZFEDZTQPF-UHFFFAOYSA-N 383.455 -0.007 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)s1 848962473 YNQDPFUPRMTWNW-NXEZZACHSA-N 380.473 -0.411 30 20 GBED C=CCn1c(-c2cccnn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 908704405 YAWPVALQEYYLHY-UHFFFAOYSA-N 398.471 -0.098 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 913378580 FCGABXAGUOMQGM-VIFPVBQESA-N 389.368 -0.811 30 20 GBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@H]2C)nn1 988754228 FXLZOZNHGXDKGL-HGTKMLMNSA-N 376.461 -0.098 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2nc(C)no2)C[C@H]1O 1023942277 SFHKCRNNYJQZJC-CFAJVAMVSA-N 378.429 -0.020 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1068819407 IVOOZICOVBIXJH-LNORHHCFSA-N 387.436 -0.965 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(CC(=O)N2CCNC(=O)C2)[C@@H]1C 1088910784 GUIWQAHKQYJXKE-DRMAHVMPSA-N 392.500 -0.105 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CS(=O)(=O)C1CCCC1 1110723644 RWOQUHXQGNHGOQ-BMFZPTHFSA-N 381.498 -0.185 30 20 GBED C=C[C@H](COC)NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 1116644121 XXNVFWRCSLAUEM-RBSFLKMASA-N 390.506 -0.131 30 20 GBED CC(=O)OC[C@H](CO)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1116870787 ZPLRNTAFVZBTAT-LBPRGKRZSA-N 383.426 -0.455 30 20 GBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 1116921979 LGHLWOPLEHPQDR-CYBMUJFWSA-N 394.453 -0.305 30 20 GBED C[C@@H](C[S@](C)=O)NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1117570750 GHLODOBTJAUXIQ-QDXKXIGTSA-N 377.470 -0.079 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)NC[C@@H]2COCCO2)CC1 1321754315 AWNNFEQZCKEJLR-CYBMUJFWSA-N 376.388 -0.122 30 20 GBED C[C@@H](NC(=O)C(=O)N1CCO[C@@H](C#N)C1)c1cccc(S(=O)(=O)N(C)C)c1 1322678486 SRLXUTXUQAEHLG-OCCSQVGLSA-N 394.453 -0.135 30 20 GBED CNC(=O)CCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1323346784 AFWJJIWPGBENDC-OAHLLOKOSA-N 385.424 -0.188 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 1327186829 LHQPOCVMZYRJGA-IJEWVQPXSA-N 383.456 -0.452 30 20 GBED C[C@H](NC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O)C(=O)N(C)C 1327552817 WDCZVYNDPHJVLJ-ZDUSSCGKSA-N 375.429 -0.855 30 20 GBED CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1332761038 MYAJFDYKDWVCJZ-MRXNPFEDSA-N 386.474 -0.816 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CCO1 1342137971 HYXMPVLYQCQFFC-LLVKDONJSA-N 394.400 -0.882 30 20 GBED C[C@H](C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1)n1cnc(C#N)n1 1451228425 YYCJZQOYYWAFLK-DGCLKSJQSA-N 383.478 -0.218 30 20 GBED C=CCOCC(=O)N1CCO[C@H]([C@@H](C)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573343008 IAGKICRVLLBERP-RISCZKNCSA-N 389.416 -0.257 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(C(=O)CCOCc3cnn[nH]3)C[C@H]21 1575013465 PHLHHPZZQGDRIL-SQWLQELKSA-N 375.429 -0.191 30 20 GBED CN(C[C@@H](O)CN(C)c1cncc(C#N)n1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1579030573 XABIUXOQYWXXTH-LBPRGKRZSA-N 382.388 -0.574 30 20 GBED Cc1nsc(N2C[C@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c1-c1nn[nH]n1 1581682613 VVNBIWWKDONFKK-MNOVXSKESA-N 385.413 -0.189 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@]12COCCN1C(=O)OC2 1581856009 TVPJXICTOWSQMB-KBXCAEBGSA-N 397.395 -0.114 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N(C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588659100 ZWXLVQIICVAXNG-SNVBAGLBSA-N 389.420 -0.743 30 20 GBED C=CCn1cccc1C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588716797 MQAQMOCFSRUUKS-LLVKDONJSA-N 384.400 -0.297 30 20 GBED COCC#CCN(CCO)C1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1591362287 SWIVOHZITXWGNT-UHFFFAOYSA-N 387.444 -0.257 30 20 GBED Cn1cc([C@@H]2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CCN2)cn1 1643080621 MTEWGTBHJVTQBD-AWEZNQCLSA-N 388.453 -0.368 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC=O)C1 1780720770 OYULLOHDKCEECJ-WFXMFSGNSA-N 379.457 -0.327 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(F)cn1)CCO2 1783563097 WJTGWVXYMXTSTN-GOSISDBHSA-N 375.356 -0.319 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783751224 AWKLVZNNZFNNHG-OXJNMPFZSA-N 391.468 -0.133 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784112757 SGNISGTVUSTZEI-AEFFLSMTSA-N 395.481 -0.304 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(C)n3)C[C@@H]21 1784479145 YSZMTBMDORWEED-AJNGGQMLSA-N 375.429 -0.553 30 20 GBED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)CCC1 1785363038 FGORHYBWSFNCJV-SFHVURJKSA-N 376.413 -0.038 30 20 GBED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786707236 DJMFKAXDBRTXIT-NUXNZHGMSA-N 381.429 -0.114 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1790793691 BKBMQZXEZXWTEX-PWNZVWSESA-N 381.429 -0.558 30 20 GBED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1793256899 ZXSWZHPCAMOWJE-FVCICTRLSA-N 396.407 -0.966 30 20 GBED N#CCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794088217 KJPSHQXHRAWNSP-QDMKHBRRSA-N 382.486 -0.341 30 20 GBED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)CN)ccc1F 1796341604 IQMDXPKXGKODPE-KPEUIFRASA-N 389.431 -0.885 30 20 GBED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)N1C[C@H]2C[C@H]2C1 1797637886 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BGPXFQJJTKOCKA-KRWDZBQOSA-N 377.353 -0.859 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1835353628 AMKZIJLWKBDHOW-SFHVURJKSA-N 378.429 -0.631 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1837702999 SFLRENSGYDHBEU-PBFPGSCMSA-N 385.486 -0.548 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1839808550 SSGXSTSJIYLFNJ-SFHVURJKSA-N 376.413 -0.767 30 20 GBED CCC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839830645 XYYGFUDWCWOAJE-GUBFPNNNSA-N 394.472 -0.106 30 20 GBED CN[C@H](CC(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2)C(=O)O 1842951124 AKBZZHDFXBSFTE-UMXKZIAQSA-N 376.413 -0.035 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCCN2C(=O)CNC2=O)cc1 264468774 MTABZBQTYMQNAQ-UHFFFAOYSA-N 378.410 -0.730 30 20 GBED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c(F)c1 269320194 ITCANSWZXRASME-UHFFFAOYSA-N 387.371 -0.415 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@H](C)CN1CCN(C)CC1)c1cc[nH]n1 276664416 YLZAHMITSGPVDG-IQQDNESTSA-N 380.449 -0.554 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C1=O 281853450 YDXDLQBKPXAZQH-JSGCOSHPSA-N 397.501 -0.051 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)NCc1ccon1 348392740 UTBXXMCNNMCDBE-LBPRGKRZSA-N 394.500 -0.245 30 20 GBED CC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C1 349464790 CGZWCIRAFDUKMG-GFCCVEGCSA-N 386.455 -0.612 30 20 GBED CN1C[C@H]2CN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)C3CC3)C[C@H]2C1 349487254 BVOOKPLSXKLGNV-OKILXGFUSA-N 390.531 -0.483 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)c1 360713944 PPVCCSUGYDYCRH-AWEZNQCLSA-N 385.467 -0.509 30 20 GBED N#Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)c1 419083084 VXUVNGFJUUQINA-QGZVFWFLSA-N 383.452 -0.155 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C)c(N3C(=O)CNC3=O)c2)C1=O 478168171 CDBWUXANWCNDLQ-UHFFFAOYSA-N 399.363 -0.033 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CC(C)C 502012424 VOTLWNHWAJHMSX-UHFFFAOYSA-N 389.481 -0.435 30 20 GBED CCN1CCN(CCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 509479599 MEDCFTLSGPNMJD-OAHLLOKOSA-N 393.513 -0.021 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 542601847 VOQZOGDDYAGCQM-UHFFFAOYSA-N 380.426 -0.516 30 20 GBED CCN(CCOCCO)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587646914 DMKHSDGSCNMWGR-UHFFFAOYSA-N 389.456 -0.104 30 20 GBED CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588123989 RCTIXZBIPNQVKA-UHFFFAOYSA-N 392.504 -0.897 30 20 GBED Cc1nc(=NC(=O)c2cn(CC(=O)N(C)C)nn2)n(-c2ccc(C#N)cc2)[nH]1 610207906 SVECEOSSWSLVQI-UHFFFAOYSA-N 379.384 -0.199 30 20 GBED CCn1cc(C(=O)C(=O)NCC#CCNC(=O)C(=O)c2cnn(CC)c2)cn1 681338633 DTULRUWSBNUZKD-UHFFFAOYSA-N 384.396 -0.579 30 20 GBED Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)NCC#N)C1 731238238 AWMBKMPCVNNGID-LBPRGKRZSA-N 384.414 -0.125 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(CC(=O)OC)n[nH]2)cc1 735813128 WBOGBIKDACHLMD-UHFFFAOYSA-N 377.382 -0.316 30 20 GBED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N(CC#N)CC(=O)O)CC1 738823276 IVNMRMWRYGKPPW-UHFFFAOYSA-N 383.430 -0.136 30 20 GBED Cn1c(N)c(C(=O)COC(=O)C#Cc2ccc3c(c2)OCO3)c(=O)n(C)c1=O 761231827 OBJMFJSBCPFLIG-UHFFFAOYSA-N 385.332 -0.828 30 20 GBED N#CCCCS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 776116452 SDYZHXHUFZSWBR-UHFFFAOYSA-N 391.427 -0.336 30 20 GBED C[C@H](CC(=O)NCCN1CCNC(=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 781412123 LXGIMFSSYCTHQP-GFCCVEGCSA-N 393.469 -0.948 30 20 GBED CCOC(=O)[C@H](CO)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 782756641 ABBCIXOENRJEGV-LBPRGKRZSA-N 383.426 -0.455 30 20 GBED N#Cc1c(N2CCN(CC(=O)N3CCCC3)CC2)cccc1S(N)(=O)=O 784560571 MMAHDKSZYXJJGM-UHFFFAOYSA-N 377.470 -0.050 30 20 GBED COC[C@@](C)(CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 821680362 HEZJRRULCNBUMO-QGZVFWFLSA-N 397.399 -0.041 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)c1 855472616 ZRXTYRWKZINKSN-UONOGXRCSA-N 386.451 -0.860 30 20 GBED NC(=O)Cn1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 918397163 YLEHFVLAHHSBLX-UHFFFAOYSA-N 376.398 -0.564 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc3nnc(C)n3c2)C1 968541378 FRFBTMQSCIUEDK-WCVJEAGWSA-N 385.424 -0.070 30 20 GBED N#Cc1cnc(N2CCN(C(=O)[C@@]34COC[C@@H]3C4)[C@@H]3CS(=O)(=O)C[C@@H]32)cn1 1054788117 QITSGERODDHFDY-DPYKFYPSSA-N 389.437 -0.801 30 20 GBED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2CCCS2(=O)=O)cn1 1055228140 XNCFHHCAEMQVRT-RDBSUJKOSA-N 376.442 -0.390 30 20 GBED C[C@@]12CN(CC(=O)NCC#N)C[C@@H]1CN(C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C2 1101305392 LCVBIXOBPSECNS-CUYVQJCZSA-N 391.472 -0.780 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCCN1CCOCC1 1111146925 GAJIBYWNBBNQOI-ZACQAIPSSA-N 377.489 -0.150 30 20 GBED CN(C)C(=O)CCNC(=O)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1261940892 HWBRHSQICNJRNE-UHFFFAOYSA-N 375.404 -0.060 30 20 GBED C=C(C)Cn1c([C@@H]2CNC(=O)C2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1263294668 DKNQYFLCZFCCTL-STQMWFEESA-N 382.490 -0.024 30 20 GBED Cn1c(=O)c2ccc(C(=O)N=C3NS(=O)(=O)c4ccccc43)nc2n(C)c1=O 1322308184 NFEYIDRIILWLFZ-UHFFFAOYSA-N 399.388 -0.489 30 20 GBED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H](C)C(=O)NC)C1=O 1323609197 RINMJVDZBNLLHK-BXKDBHETSA-N 391.453 -0.012 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CCO1 1324148787 PYVVFNHXXBYXPP-HNNXBMFYSA-N 392.437 -0.406 30 20 GBED COc1cc(C#N)ccc1NC(=O)C(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 1326016772 VBFPQDKVFNWEJK-LBPRGKRZSA-N 381.410 -0.487 30 20 GBED CN(Cc1cn(C)nn1)C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1327623326 HADFSLWARWCWIF-UHFFFAOYSA-N 381.440 -0.010 30 20 GBED N#CCNC(=O)CNC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 1329434553 WLRHGPUEKGGXKU-UHFFFAOYSA-N 386.455 -0.737 30 20 GBED Cn1cc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 1332745460 XJLROADTGFYLAO-HNNXBMFYSA-N 381.396 -0.385 30 20 GBED C[C@H]1CN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCN1S(C)(=O)=O 1337289476 NRUSICXGYPQKEP-JKJHPVACSA-N 385.446 -0.812 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 1347037647 ASZXJBJMMXMODU-CHWSQXEVSA-N 390.400 -0.313 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2Cc2ccc(CC)s2)CC1 1355503748 QFDCPNSMLTZYAT-UHFFFAOYSA-N 395.514 -0.065 30 20 GBED CC1(CNC(=O)CCOCc2cnn[nH]2)CCN(CC(=O)NCC#N)CC1 1575978290 CCMIPSSCTRWGQW-UHFFFAOYSA-N 377.449 -0.431 30 20 GBED Cc1c(-c2nn[nH]n2)c(=O)n(Cc2ccc(OCC#N)cc2)c(=O)n1CCO 1580522018 INVDCRYXTULXKB-UHFFFAOYSA-N 383.368 -0.559 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nn[nH]n3)cn2)c1 1581862373 AKTAHQJBVKGWRF-LLVKDONJSA-N 380.372 -0.508 30 20 GBED C#CCNC(=O)[C@H](C)NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588352986 CNZCKNPWZWRVJW-STQMWFEESA-N 384.444 -0.083 30 20 GBED C#CCOCCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](OC)C1 1588359111 HNVRLLZUKRXRJY-ZIAGYGMSSA-N 387.400 -0.810 30 20 GBED C=CCNC(=O)CNCC1(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCOCC1 1588658576 AXSZLFZCGOGCAO-UHFFFAOYSA-N 388.432 -0.634 30 20 GBED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)Nc1cccc(-c2nn[nH]n2)c1 1588711968 ZGGFROYDBQIURA-UHFFFAOYSA-N 390.385 -0.238 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](n3cc(C(=O)O)nn3)C2)C1=O 1588832722 WMZJDCSKKARZCS-JTQLQIEISA-N 390.356 -0.883 30 20 GBED C[C@@H](NC(=O)CSc1nc(N)c(C#N)cc1-c1nn[nH]n1)C(=O)N(C)C 1589926331 LTUVOSWHQXNANK-SSDOTTSWSA-N 375.418 -0.599 30 20 GBED N#Cc1ccc(C(=O)NCC2[C@@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@@H]23)[nH]1 1592690668 QYLCYOYMBTYOIU-RYUDHWBXSA-N 376.384 -0.031 30 20 GBED C#CCN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1602716906 UNCLZXDRKWOEEY-CABCVRRESA-N 394.439 -0.186 30 20 GBED C=CCOCC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[nH]n2)C[C@@H]1O 1602868595 QNQYFUIUFOSBRR-MNOVXSKESA-N 379.446 -0.110 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@](C)(C(=O)O)C2)CC1 1609398867 PANQDIFOGTVPHU-GOSISDBHSA-N 380.445 -0.854 30 20 GBED Cn1c(COC(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)cc(=O)n(C)c1=O 1609476175 MIEPJIURXYEPNC-ZDUSSCGKSA-N 395.379 -0.310 30 20 GBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CCC(=O)N1CCC(O)CC1 1643404090 RJOROKQSWXWZMG-UHFFFAOYSA-N 376.417 -0.180 30 20 GBED CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1779037231 ORTUZMHDAZTZIV-KRWDZBQOSA-N 379.486 -0.396 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncn3)C[C@@H]21 1783531258 LUIUSZHCLZQRKU-RZXAPVBSSA-N 399.451 -0.072 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785366437 GNDVYQVKFNSBPU-UGSOOPFHSA-N 394.428 -0.425 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn(C)n3)[C@H]2C1 1785872387 RDNMTSVOVLGJRM-QPSCCSFWSA-N 375.429 -0.553 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)C(C)C 1793070304 KCSHRAYJUJFMCJ-YJSADYLOSA-N 379.457 -0.549 30 20 GBED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(O)O)C2 1796444456 TYHBWJHLHAUGGE-GIXKUNIKSA-N 380.422 -0.613 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1snnc1C1CC1 1796707466 LGAUBBUPQNMDGW-GNXNZQSNSA-N 390.421 -0.293 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNc3ccccc31)C2 1800775934 MEUKCPWBQJFYNI-FCIKYMEBSA-N 383.404 -0.127 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@](C)(O)CC(=O)O 1801002664 GLYXWOKLGIKUCM-LZQKGTGASA-N 398.456 -0.217 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1 1801439555 JHPGYPLNCVBPJH-LXFSFDBISA-N 393.448 -0.375 30 20 GBED O=C(NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1)C(O)O 1802921429 ZTKCMWQCMPWUAR-PBRNBABXSA-N 389.456 -0.130 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](N)CCC(N)=O)C2)CC1 1809675597 UVKUIUMCKNPIMB-CVEARBPZSA-N 392.500 -0.151 30 20 GBED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CNC(=O)O2)CC1 1824574730 DRWOAQUYCSBJFS-KGLIPLIRSA-N 377.397 -0.198 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834398267 LTUKXHKUFKWIRD-OAHLLOKOSA-N 378.477 -0.081 30 20 GBED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)o1 1836028391 FHEHULIFLHCICU-BZNIZROVSA-N 384.458 -0.305 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1836298338 UAEKAZXOMOHBOM-KBXCAEBGSA-N 391.428 -0.779 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1840167235 FBFPJQSGHCEQPL-HXUWFJFHSA-N 391.468 -0.131 30 20 GBED Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)NCCC#N)[C@@H](C)O)cc1C 9083979 OJCUCXWTNROSFE-CJNGLKHVSA-N 397.453 -0.096 30 20 GBED C#CCNC(=O)CN1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 29190901 QFZMHDNKOONZEH-UHFFFAOYSA-N 378.454 -0.266 30 20 GBED COCC(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 268842412 UPZRPJSOWKRBNT-CYBMUJFWSA-N 394.453 -0.458 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C)c1cc[nH]n1 278062891 VCFMKZNSCPJWCE-ZXOZMNBCSA-N 386.430 -0.273 30 20 GBED Cn1cc([C@H](O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 283128019 ZKAZGZYUTWJTTP-INIZCTEOSA-N 389.437 -0.142 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 349529166 YZQKMVIWDQTIQH-RWMBFGLXSA-N 392.503 -0.719 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(CC(N)=O)CC1 370650402 CURIFFZEOYWAKG-CYBMUJFWSA-N 393.469 -0.755 30 20 GBED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424441099 SRBJEBDGSWNPJC-ZDUSSCGKSA-N 395.393 -0.394 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 430403663 UZUOERNGEKALKF-ZOBUZTSGSA-N 392.500 -0.105 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cn(CC(=O)OC)nn2)cc1 441972534 AQLHSCWJGMEVID-UHFFFAOYSA-N 393.425 -0.155 30 20 GBED C=CCOc1cccnc1C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 471321276 GRHATDLKHOYBSH-UONOGXRCSA-N 381.454 -0.438 30 20 GBED Cn1ncc(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1C#N 474875992 GXYCAEYFWAQVJY-UHFFFAOYSA-N 388.409 -0.335 30 20 GBED C=CCOC[C@H](NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1)C(=O)OC 481761533 PYLLVYDPXHMXCU-LBPRGKRZSA-N 390.396 -0.585 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 539691362 CNGKUYCMKXBPEK-UHFFFAOYSA-N 388.424 -0.555 30 20 GBED CO[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C[C@H]1OC 566807189 HARHHGBUWZUNKN-OKILXGFUSA-N 389.455 -0.477 30 20 GBED CCN(C)C(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 578026240 NDFPARCZILUALC-UHFFFAOYSA-N 388.471 -0.413 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C2CC2)C1 582370934 FOYXXPBETJOVMJ-UHFFFAOYSA-N 378.476 -0.808 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC[C@](O)(CC#N)C2)c1 592837073 HZMFHSPQNRIXSK-QGZVFWFLSA-N 396.469 -0.244 30 20 GBED C=C[C@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 668493195 KTWFGGRTKWTNOO-KRWDZBQOSA-N 395.437 -0.213 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OCC(N)=O)c(OC)c2)CC1 728534540 MINMSXUIPJLBJT-UHFFFAOYSA-N 388.424 -0.934 30 20 GBED C#CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 735375887 SZYNWYMOWOYAAB-UHFFFAOYSA-N 389.441 -0.094 30 20 GBED C#CCNC(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O 748767242 VWOBBKAFIFDRTP-QMTHXVAHSA-N 388.829 -0.340 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@H]([C@@H]3CCCO3)C2)c1=O 756857593 FWIDKEYAUYQVLC-GJZGRUSLSA-N 378.429 -0.619 30 20 GBED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccon1 765146592 VRLCYFDXPFGWKW-UHFFFAOYSA-N 398.448 -0.293 30 20 GBED CCNS(=O)(=O)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 765474852 HHJAWWJBOUEUHU-NSHDSACASA-N 388.471 -0.719 30 20 GBED Cn1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C(C)(C)C)n1 769583966 HKRCBIKIBAKOOI-UHFFFAOYSA-N 382.446 -0.573 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(-n2nccn2)nc1 782908508 YIEZMCIYVVORDH-UHFFFAOYSA-N 398.427 -0.325 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1)[C@H]1CCCO1 809308040 IVQSRTBYTPTDPL-ZIAGYGMSSA-N 391.428 -0.843 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)CC1 847436579 PYCXECIOAWUYQT-NRFANRHFSA-N 382.464 -0.272 30 20 GBED O=C1[C@@H](NC(=O)[C@H]2CC[C@H](C(=O)N[C@H]3CCCN(O)C3=O)CC2)CCCN1O 848136580 YMSYGPHCHBIRCC-XUXIUFHCSA-N 396.444 -0.214 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 857706183 UVQSXIZSNIXGMB-LLVKDONJSA-N 384.410 -0.337 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnon2)C1 990941376 YUOIMVNNVAIANC-RZFFKMDDSA-N 387.400 -0.176 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(CNC(=O)[C@@]34COC[C@@H]3C4)nn2)C1 994742889 JENVSJQNSZPZOF-BVNXPQQUSA-N 387.440 -0.095 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1002150923 VWHCNWUKQBTXAX-JONQDZQNSA-N 379.457 -0.035 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)Cn3ccc(O)nc3=O)C[C@H]21 1022750360 ABUIUUSXYZWSMC-YJNKXOJESA-N 388.424 -0.401 30 20 GBED CCO[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CNc1ccc(C#N)nn1 1047946059 XJCLTEWOVMHEPR-FAAHXZRKSA-N 388.428 -0.343 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1nc[nH]n1 1109958185 YJPXXDLTVCFGDU-RNJOBUHISA-N 375.433 -0.531 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](n3cc(C(=O)OC)nn3)C2)CC1 1117275817 IOEPRAWNYHPCCT-AWEZNQCLSA-N 390.444 -0.395 30 20 GBED C[C@]1(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC(=O)N1 1118079243 ATYIVQVZUUTDIU-MGPUTAFESA-N 397.435 -0.045 30 20 GBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1 1323008397 IUNRNYPEUISGKW-AWEZNQCLSA-N 396.391 -0.169 30 20 GBED C=C[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 1325906160 BJWRFTJHIKNTNV-INIZCTEOSA-N 378.473 -0.444 30 20 GBED CC(=O)N[C@](C)(C(=O)N[C@H]1CNC[C@H]1C#N)c1ccc(S(C)(=O)=O)cc1 1326611148 CIOXPWGWOOLBFZ-PVUWLOKVSA-N 378.454 -0.331 30 20 GBED CO[C@H](CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C1CCCC1 1328365764 YAZIEEUYQGKGFP-HDUPEWFZSA-N 378.429 -0.050 30 20 GBED C[C@@H]1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C[C@@H]1NC(=O)C(F)(F)F 1346994186 DLCSLSJTIGFUKG-ZETOZRRWSA-N 390.362 -0.221 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 1347567455 MJGAIPMRGJJYRY-QWHCGFSZSA-N 378.429 -0.373 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)CCCc2cnn[nH]2)C1 1575040143 XTXRUQWIFARCSS-HNNXBMFYSA-N 392.460 -0.712 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)N(C)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 1588350063 ZZTYVEIMQMCCGN-MRXNPFEDSA-N 380.408 -0.156 30 20 GBED C=C[C@](C)(O)CC(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[nH]n3)n2)C1 1588500575 ABKUMNBFFUDTGK-IRXDYDNUSA-N 388.432 -0.251 30 20 GBED Cc1cccc(S(=O)(=O)N2CCN(C(=O)CC#N)CC2)c1-c1nn[nH]n1 1592239154 HIDOMVJWDOCKBO-UHFFFAOYSA-N 375.414 -0.078 30 20 GBED CCN1C(=O)CO[C@H](C(=O)N2CCC(C#N)(C(=O)O)CC2)[C@H]1c1ccnn1C 1596389537 JDKUEJLDTSKADM-CABCVRRESA-N 389.412 -0.075 30 20 GBED C#CC1(O)CN(S(=O)(=O)c2ccc(Br)c(-c3nn[nH]n3)c2)C1 1602690666 GLTVKUCVSVEYMA-UHFFFAOYSA-N 384.215 -0.002 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O 1602726011 BQAXUGDMVHXQKT-HFBAOOFYSA-N 388.403 -0.295 30 20 GBED CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)C1 1696876003 IYGHILROVILWQD-LJQANCHMSA-N 381.440 -0.180 30 20 GBED C[C@@H]1CCc2c(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)n[nH]c21 1777855764 YZPUDIPKQQLMDC-BLVKFPJESA-N 386.408 -0.009 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1782751704 HBXOIIWAIWGBFW-RKVPGOIHSA-N 375.429 -0.293 30 20 GBED C=CC[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1783107924 AJPFIHUMXWFCTC-CZUORRHYSA-N 389.389 -0.247 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(C)=O)C2)C1 1783189984 RYVOZLOXAJSALU-BEFAXECRSA-N 381.473 -0.084 30 20 GBED Cc1nc(CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cs1 1783557603 ORHJDPXXFBJXJE-KRWDZBQOSA-N 377.422 -0.088 30 20 GBED N#Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CNC(N)=O)C3)C2)cc1 1785624355 WMUJKCTVNWYYCI-IBGZPJMESA-N 385.424 -0.401 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789762893 WPDZQNSVQZLDBY-UYLCUJDWSA-N 395.500 -0.738 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C[C@@H]21 1790793398 CVGATZOJWFXLIL-YDHLFZDLSA-N 388.380 -0.631 30 20 GBED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1791265152 CDMSLTBRFSEUOM-QMVSFRDZSA-N 390.527 -0.138 30 20 GBED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1791439318 UECQCWARHYEKSQ-NXOAAHMSSA-N 392.500 -0.248 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C)C2 1792489976 GSULWRCYECCTMT-KQLJBOCNSA-N 399.451 -0.153 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1 1801439563 JHPGYPLNCVBPJH-ZQNQSHIBSA-N 393.448 -0.375 30 20 GBED COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830054575 UJGOUZIYIWIQNW-SFHVURJKSA-N 383.445 -0.344 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830970330 ZJKNYDWXBNITHU-CXAGYDPISA-N 380.470 -0.206 30 20 GBED CCS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834396205 PGRLSCVWMUEHEX-UHFFFAOYSA-N 384.502 -0.094 30 20 GBED Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1835628642 DJULEZYLUUNTDD-ZBEGNZNMSA-N 384.458 -0.046 30 20 GBED COCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837442358 WKCYXCIPWDVRAF-XAJRUKRBSA-N 396.488 -0.049 30 20 GBED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(N)=O)CCO2 1839865614 MHRPHIOEAKMGAX-LJQANCHMSA-N 379.457 -0.098 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840835779 HBABXCVTNGMWNF-PNEQDHBUSA-N 394.424 -0.488 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)CN1C(=O)C=CC1=O)C2 1845189444 DZDNJNALNQEKSM-UHFFFAOYSA-N 389.408 -0.376 30 20 GBED C#CCN1CCC(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 263771273 FMMAWIHGOFEXGX-UHFFFAOYSA-N 384.484 -0.023 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@H]2C(=O)N(C)CCC)C1=O 264194743 OIVCEJSXHHYTLI-NSHDSACASA-N 382.442 -0.267 30 20 GBED C=CCNC(=O)CNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 271960735 FXNKGLYXTOOQHP-UHFFFAOYSA-N 387.483 -0.270 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@H](C)[C@@H](C)N1CCOCC1)c1cc[nH]n1 277935427 IHOMVNUUAPGHFY-ZXKZCITISA-N 381.433 -0.081 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2c(OC)ncnc2N(C)C)C1=O 281344340 DFODFKMTPFRSMO-LLVKDONJSA-N 376.417 -0.265 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCn2cc(C(=O)OC)nn2)c1 284500505 NNZYSKFAKRBXJB-UHFFFAOYSA-N 391.409 -0.594 30 20 GBED C=CCN(C(=O)CNC1=NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 299073929 XERZOEIHHYODIB-GFCCVEGCSA-N 397.478 -0.073 30 20 GBED C[C@@H](C(=O)N1CCCC1)N1CCN(/C(O)=N/CCNS(C)(=O)=O)CC1 331283097 DSHYSSJRBQXYER-ZDUSSCGKSA-N 375.495 -0.922 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[S@](=O)C(C)(C)CC1 349460184 GGQNMJFHPQTRKK-YTEVENLXSA-N 399.560 -0.229 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H](C)C#N)cn(C)c1=O 349574298 LNXLGCXRSVJWRV-NSHDSACASA-N 390.487 -0.095 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCNC(=O)[C@H]1C 349592101 PEMWBKPVJZJQDO-VXGBXAGGSA-N 380.492 -0.910 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCCOCCO)n2)c(F)c1 374663295 LSDNGBLMFWGOGE-UHFFFAOYSA-N 375.360 0.337 30 20 GBED C[C@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@@H](C)N1CCO 377893200 HETWXLIWLAYITL-OKILXGFUSA-N 397.439 -0.009 30 20 GBED C[C@@H]1CCNC[C@@H]1NC(=O)C(=O)N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 420110271 BRALDMWCVXFKAX-MEGQDDJESA-N 381.436 -0.027 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)CCO1 426716783 YFMBVMYIZQAHOO-ZDUSSCGKSA-N 390.371 -0.012 30 20 GBED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)s1 435421691 KIXPQHFENQLANO-SNVBAGLBSA-N 391.496 -0.066 30 20 GBED C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 443255879 XDQLCJGKHZADKB-MEBBXXQBSA-N 384.371 0.462 30 20 GBED CN(CC(=O)NC[C@H]1CCCS1(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 484091342 FBZOIRQWEZXTCA-CQSZACIVSA-N 385.467 -0.128 30 20 GBED C[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)N1CCN(C)CC1 523697083 ZSOQOIVMYIQWKW-OAHLLOKOSA-N 393.513 -0.069 30 20 GBED C=CC[C@H](CO)CNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 538221750 HXZQVRZMJPZZFM-QWHCGFSZSA-N 381.454 -0.012 30 20 GBED N#Cc1ncn(CCNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)n1 579746706 PGTZKXLYSNWZFB-UHFFFAOYSA-N 396.454 -0.338 30 20 GBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 592907528 FBGVCESWCHRZCB-CABCVRRESA-N 380.422 -0.145 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CO)CCF)cc1 594628885 MZTDRXZKKXGHMA-WDEREUQCSA-N 379.435 -0.124 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N(C)C)CC2)nn1CCC#N 611365224 UKJXXHBYCIDJRX-UHFFFAOYSA-N 375.433 -0.724 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(N3CCOC[C@@H]3C)CC2)C1=O 615091623 LKHLMBOGLTTWEG-ZDUSSCGKSA-N 378.429 -0.325 30 20 GBED C[C@H](OC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C(=O)N(C)CCC#N 745441495 HBGMNRJBLJFJOW-PRSXHHODSA-N 377.397 -0.159 30 20 GBED O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 748566364 YGJZISBWXZVFIS-NEPJUHHUSA-N 376.438 -0.005 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(CCS(C)(=O)=O)C2CC2)c1=O 753812977 XVGBCQBKROJWEL-UHFFFAOYSA-N 384.458 -0.990 30 20 GBED Cc1ccc(C(=O)NC[C@H]2CC(C(N)=O)=NO2)cc1S(=O)(=O)NCC#N 793905865 XJTVLEHBEAHQIS-LLVKDONJSA-N 379.398 -0.843 30 20 GBED CCO[C@H]1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1SC 807979856 YPMMDIYDXGZJLY-GXSJLCMTSA-N 376.460 -0.741 30 20 GBED C#CCNC(=O)CN1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 808717417 ILXRQQHVAHSARO-UHFFFAOYSA-N 375.454 -0.906 30 20 GBED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F 822819321 PBGXKVPKMDYNDI-UHFFFAOYSA-N 398.362 -0.130 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(C3CCCC3)CCNC2=O)CC1 831584020 DZXWKMMZCKJMLB-QGZVFWFLSA-N 382.486 -0.705 30 20 GBED COC(=O)N1CC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)C1 845912699 KCKZADZGVVOZLZ-JTQLQIEISA-N 394.409 -0.122 30 20 GBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1cnc(Br)cn1 848967317 XLTJMKACZVODNP-UHFFFAOYSA-N 397.276 -0.077 30 20 GBED C=C(C)CN(CC)C(=O)COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914653360 JYUHQUNUBOFJCB-KBPBESRZSA-N 386.470 -0.010 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@@H]1O 964193873 QMPXFXSNUQGLSF-DFGXFYAUSA-N 391.472 -0.193 30 20 GBED COc1ccc(C#N)cc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1077669823 PCDXZDLJKFSQAA-TXCZRRACSA-N 388.424 -0.739 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[nH]1 1109804669 XWQBQUBHQKTCRJ-QPSCCSFWSA-N 376.461 -0.199 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)OC 1110336192 ZVBMZXCHRJESRZ-LPWJVIDDSA-N 381.433 -0.536 30 20 GBED N#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1131502395 CCXUYPRYOPPTAN-HIRMHNASSA-N 376.457 -0.352 30 20 GBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)[C@H](C)C1 1208580676 XTHWDJJWAQJPKB-WCXIOVBPSA-N 390.484 -0.658 30 20 GBED COCC/N=C(/NCC1(O)CCOCC1)N1CCN(C[C@H]2CCOC2)CC1 1262669797 IDFDNLANGIUWJT-QGZVFWFLSA-N 384.521 -0.226 30 20 GBED N#CCOc1cc(F)ccc1NC(=O)C(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 1320678640 QRKZNCYTOGWMAG-LBPRGKRZSA-N 399.400 -0.325 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)NC[C@@H](N2CCNCC2)C(F)(F)F)CC1 1333427598 YSIODTOAGUMKCB-CYBMUJFWSA-N 392.422 -0.132 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCCN(CC(F)F)CC1 1342097120 KGXWNIDMUYMBSW-PFONDFGASA-N 399.398 -0.572 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCN(CCNC(=O)[C@H](C)OCc2cnn[nH]2)CC1 1575012507 BFEUUAJCYZPBCX-GJZGRUSLSA-N 392.460 -0.992 30 20 GBED C#CCOCCC(=O)N[C@@H]1CCCN(C(=O)CC(=O)NCc2cnn[nH]2)CC1 1575012816 HJEIMJQUGTZDOR-CQSZACIVSA-N 390.444 -0.652 30 20 GBED C#Cc1cncc(C(=O)N2CCC[C@H](CNCC(=O)NCc3cnn[nH]3)C2)c1 1575032584 FEQAJGDHCZGIHY-OAHLLOKOSA-N 381.440 -0.061 30 20 GBED C=CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)CCOCc3cnn[nH]3)[C@@H]2C1 1575103873 JDWCJGZMNJVYEU-IIAWOOMASA-N 376.461 -0.065 30 20 GBED C#CCN1CCN(C(=O)Cn2cc3c(c(-c4nn[nH]n4)c2=O)CCCC3=O)CC1 1588353100 GSIFNZAWKWCXKI-UHFFFAOYSA-N 395.423 -0.675 30 20 GBED C#CCNC(=O)CN(C)CC1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1588354550 POFQTPZMJIGJGH-UHFFFAOYSA-N 384.444 -0.272 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@H](O)CNCc1ccc(F)c(-c2nn[nH]n2)c1 1588358701 ZVCMCWNRBXPWPP-DGCLKSJQSA-N 376.392 -0.389 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](CO)N=c1cc[nH]cc1-c1nn[nH]n1 1588404196 FHVKGYMLQDKTRD-WFASDCNBSA-N 388.432 -0.957 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1=O 1588654305 DGECXOAUHXBOKQ-CQSZACIVSA-N 383.412 -0.272 30 20 GBED C=CCn1cc(C(=O)N2CC[C@@H](N(C)c3cncc(-c4nn[nH]n4)n3)C2)nn1 1588711876 XCWWQCUPRUIMRL-LLVKDONJSA-N 381.404 -0.215 30 20 GBED COC(=O)CNC(=O)[C@@H](C)OC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1591267808 IJNDJEQOSMSHFH-MFKMUULPSA-N 386.368 -0.230 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](CC(=O)O)CC(C)C)CC1 1602702877 VDHFESWZCGHEEX-AWEZNQCLSA-N 388.490 -0.082 30 20 GBED C#CCO[C@@H](C)C(=O)NCC1(Nc2nccnc2-c2nn[nH]n2)CCOCC1 1602726067 ONJAJHRMPVIHCP-LBPRGKRZSA-N 386.416 -0.228 30 20 GBED Cn1ncc(C(=O)O)c1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1608156124 YLHFENTVJPYNDZ-UHFFFAOYSA-N 383.368 -0.328 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779021607 QXGSKLNLAMCOCA-IOVBUETRSA-N 393.488 -0.187 30 20 GBED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1785014469 DUOPQWGXSUGKCT-AJNGGQMLSA-N 398.529 -0.522 30 20 GBED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)N(C)C)C[C@@H]21 1789955985 UTIVXOSSGOHFME-QPSCCSFWSA-N 382.461 -0.145 30 20 GBED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCS(=O)(=O)CC3)C[C@@H]21 1791271942 BFFBAROJESOQCT-JYJNAYRXSA-N 399.513 -0.727 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2 1793355602 LWRGSMRCJBVNCY-HAFSJTIUSA-N 383.445 -0.770 30 20 GBED CN1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)C1 1801559025 DIGDACSAOYRTMV-IZZQQSIFSA-N 389.496 -0.164 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)ncn2)[C@@H]1c1cccnc1 1812874611 WKXZLKHSWBSTNT-SCLBCKFNSA-N 395.375 -0.015 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CN)sc2C1 1817071259 JJDSLNLZAKWDSV-MNOVXSKESA-N 395.485 -0.150 30 20 GBED CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1829753099 NEEWZFBSNPDGOK-INIZCTEOSA-N 394.457 -0.046 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOCC)C2)C1 1831403234 ZGPFDKHQMBNJCT-APWZRJJASA-N 382.457 -0.092 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1834758350 MIVKHKSVYAKMEF-SFHVURJKSA-N 390.396 -0.621 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1834760353 KYECBYDYNFEDPV-KRWDZBQOSA-N 380.401 -0.801 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1835302110 URSUJONYVMFNBG-CLCXKQKWSA-N 395.456 -0.688 30 20 GBED CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342550 UUZHFMPWKWPYJY-LJQANCHMSA-N 392.456 -0.481 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)(C)C)CCO2)C1 1835609621 UWFFLXBOACMHPM-OXQOHEQNSA-N 395.500 -0.131 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2C=CCN2)CCO3)c1 1836479748 PHPYDKOECNSRRY-KXBFYZLASA-N 385.424 -0.516 30 20 GBED CC(=O)O[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)C(C)C 1837216680 QDLJZGCAPHCKBU-FUHWJXTLSA-N 381.429 -0.056 30 20 GBED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1 1837783508 HVIOJZWIKSXSOM-OAHLLOKOSA-N 391.424 -0.648 30 20 GBED CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839228108 SNZRPUWCOTWSRV-KDOFPFPSSA-N 398.460 -0.620 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839228159 UMWUORHEQJPRAG-KBXCAEBGSA-N 395.412 -0.668 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1840042467 WURYNETVTNBZFK-KSSFIOAISA-N 378.381 -0.777 30 20 GBED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)S)CCO2)C1 1840157217 IAHZXNXGZDHGSY-SUYBPPKGSA-N 387.502 -0.324 30 20 GBED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1840294506 IEPVVYWSPRATEQ-APWZRJJASA-N 379.457 -0.229 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CS(=O)(=O)N1CCCC1 1847799841 BCEYHKNUGVQDOI-PMPSAXMXSA-N 397.497 -0.348 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCOC[C@H]2C#N)cc1 268116128 PWFWYWUXDJSGNS-CYBMUJFWSA-N 381.410 -0.107 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 270786209 BFPUPHNWYMSGST-QWHCGFSZSA-N 394.453 -0.723 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)CN3CCS(=O)(=O)CC3)C2=O)cc1 272606106 PTBYTXJGLRZYMN-MRXNPFEDSA-N 390.465 -0.100 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 275635873 LCARISOGBNBJDJ-CYBMUJFWSA-N 398.412 -0.216 30 20 GBED COCCCNC(=O)/C(C#N)=c1/s/c(=C\c2cccc(OC)n2)c(=O)n1C 276830036 HFJFSPBJORNOPC-ZTEXZCPMSA-N 388.449 -0.494 30 20 GBED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCO[C@H](C(=O)NC)C1)C(C)C 284012283 KPGCQWOQCDETOX-HOTGVXAUSA-N 380.489 -0.225 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)C1=O 299538441 OPTNLXBNSUDHEI-JTQLQIEISA-N 394.409 -0.512 30 20 GBED CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](O)C(C)(C)C1 349456768 DQKWQEBOBMTUAY-QWHCGFSZSA-N 381.520 -0.027 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[S@@](=O)CC[C@H]1C 349462212 SJGSCTVGRKVFTQ-IFMYKAFSSA-N 399.560 -0.229 30 20 GBED CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C)C[C@@H]1C 349478452 SEDAIJGSGYFISG-STQMWFEESA-N 394.519 -0.567 30 20 GBED CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 376870732 PKCRSFCFOKUSQX-ZDUSSCGKSA-N 384.371 0.559 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 410145363 LJAZZKXFLKJUQJ-CQSZACIVSA-N 375.495 -0.730 30 20 GBED CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 423080989 CCWNUPCLIFEDKO-QGZVFWFLSA-N 383.452 -0.061 30 20 GBED Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 431963481 FKGZMXWEHRWGND-UHFFFAOYSA-N 383.408 -0.245 30 20 GBED CN(CC(=O)NC[C@H]1CN2CCN1CC2)S(=O)(=O)c1ccc(C#N)cc1 437327189 VMJNBMOSQUHQCF-HNNXBMFYSA-N 377.470 -0.705 30 20 GBED CNC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 468074366 QYCURUGSMHKUJZ-CQSZACIVSA-N 396.411 -0.334 30 20 GBED N#C[C@@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 471226680 MTJNLEFWQVYMLD-OAHLLOKOSA-N 396.444 -0.117 30 20 GBED COCCCNC(=O)[C@H](C)N1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 507728190 WQOGFBYPTKLEGJ-KXBFYZLASA-N 379.505 -0.046 30 20 GBED CNCCCc1n[nH]c(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1C#N 536296576 HGEJKIRWPBBQAV-UHFFFAOYSA-N 396.411 -0.369 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ncn(C)n2)cc1 565229099 OWNMMHKVSWOCNV-NSHDSACASA-N 398.470 -0.174 30 20 GBED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@H]2CCOC2)c1=O 569659534 VFJRJVOHPFVWDT-GFCCVEGCSA-N 399.476 -0.539 30 20 GBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 592925408 UMCGXIDDAHENTA-MRVWCRGKSA-N 395.437 -0.393 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncc(C#N)s2)C[C@H]1O 594637105 MAFUUVQGGRQKHN-MWLCHTKSSA-N 394.500 -0.211 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(F)cc(F)c1O 771890259 FNMVHTRKPASXKY-UHFFFAOYSA-N 388.352 -0.230 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](OCCOC)C2)c1=O 800850697 RTFBNGYSIYEXAM-OAHLLOKOSA-N 380.445 -0.371 30 20 GBED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 821586190 NEHOPBFTFDYCRH-UHFFFAOYSA-N 380.416 -0.080 30 20 GBED N#CC(C#N)=c1sc(=Cc2ccc(-c3nn[nH]n3)o2)c(=O)n1Cc1ccon1 822801664 LTRPOGFLVFQQOX-UHFFFAOYSA-N 392.360 -0.254 30 20 GBED CN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@H](CN)C1 834299048 IPVWQGKBTOIBIU-CYBMUJFWSA-N 379.486 -0.393 30 20 GBED N#C[C@H]1CNC[C@@H]1NC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 843460558 HUHMTTSLLALVID-FZMZJTMJSA-N 384.483 -0.326 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@@H]1O 964503187 IEZGKQXZTLGBMX-IVSAIRAKSA-N 377.445 -0.583 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nnnc2C(C)C)C[C@H]1O 1023960527 OPYWCTUXSWXEGQ-TUVASFSCSA-N 392.460 -0.534 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn3nccc3nc2C)C[C@H]1O 1025710314 IVGBMLQZXVRWFC-MIGQKNRLSA-N 385.424 -0.070 30 20 GBED C=C(C)COCCn1nnnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 1262422123 FBKHUJOEBAQNST-UHFFFAOYSA-N 387.510 -0.026 30 20 GBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)s1 1321591937 JZRFFRXZFJHJJE-VIFPVBQESA-N 377.469 -0.456 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)CC1 1322803070 XAQSNBCBNHJHBD-AWEZNQCLSA-N 377.445 -0.752 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NCCOCc1ccccc1 1323065006 YHKOLPGIUAEFJT-MSUUIHNZSA-N 386.408 -0.038 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@H]4NC(=O)CC[C@H]4C3)CC2)c1 1327258480 XTTHLFGGICQMKY-JKSUJKDBSA-N 396.451 -0.271 30 20 GBED C=CCn1cc(CNC(=O)C(=O)Nc2cccn(CC(=O)OCC)c2=O)nn1 1328061737 MUTMWTYSJHCZNB-UHFFFAOYSA-N 388.384 -0.556 30 20 GBED CN1CCC(N2CC[C@H](N(C)C(=O)C(=O)N3CC[C@](O)(CC#N)C3)C2)CC1 1328424310 AFDOWQJBKVMIKT-QFBILLFUSA-N 377.489 -0.510 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@@H]4[C@@H](C3)C4(F)F)CC2)c1C#N 1328760729 IKSSSWRWTIVCPA-CHWSQXEVSA-N 378.383 -0.028 30 20 GBED CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 1350029810 VBDSRGALCDSHLB-UHFFFAOYSA-N 393.469 -0.533 30 20 GBED COC[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1555227496 RHLSQAPJUYYXFO-UPJWGTAASA-N 386.478 -0.100 30 20 GBED COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCOC1 1555557093 NWGPTXVRMYITQV-GUYCJALGSA-N 378.433 -0.253 30 20 GBED C[C@@H](C#N)C(=O)N1C[C@@H](N=c2cc[nH]cc2-c2nn[nH]n2)[C@H](c2cnn(C)c2)C1 1573571023 WYGKOPUVOBWZFN-HZUKXOBISA-N 392.427 -0.017 30 20 GBED C=CCOCC(=O)N1CCCO[C@H](CNC(=O)[C@@H](C)OCc2cnn[nH]2)C1 1575108928 RZLWPXXIEALPBL-UKRRQHHQSA-N 381.433 -0.354 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@H](CN[C@@H](C)C(=O)NCc3cnn[nH]3)C2)nn1 1575111592 HPMLERZRLMWWDW-AVGNSLFASA-N 387.448 -0.615 30 20 GBED N#Cc1nc(N2CCC(NC(=O)N3CCOCC3)CC2)cnc1-c1nn[nH]n1 1581878424 LCTGGLXOIVUKMC-UHFFFAOYSA-N 384.404 -0.461 30 20 GBED C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@]3(C(=O)O)CCOC3)CC2)C1 1602700252 ULPZUSGVXIWCDB-BEFAXECRSA-N 377.441 -0.364 30 20 GBED C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)O)C1 1602925097 PKVOHOVLCYFQRG-NEPJUHHUSA-N 397.457 -0.259 30 20 GBED N#Cc1cn(CCC(=O)N2CCC(CN3CCOCC3)CC2)c(=O)nc1O 1625802399 UZFXGRHZNFWPKH-UHFFFAOYSA-N 375.429 -0.219 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCSCC3)[C@H]2C1 1783499172 UMCZJCIMGAJIOA-KKUMJFAQSA-N 395.481 -0.897 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]21 1784477817 NYYPPSZOCKWVMW-QRJUGERDSA-N 379.457 -0.484 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1784501557 VQMUJYSAHPQPPV-YXMSTPNBSA-N 396.488 -0.850 30 20 GBED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1 1786804866 VYKYFAMWLXFTEE-KKUMJFAQSA-N 381.477 -0.568 30 20 GBED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@H]3C2)C1 1786894518 RLXNKCJLLLICRI-HNKHHVNMSA-N 379.457 -0.005 30 20 GBED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1nc[nH]n1 1787220557 BNMOCWALJVKTCB-ZXVINEMTSA-N 389.460 -0.130 30 20 GBED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1791273362 QEOMSKYXOAYBBB-BZSNNMDCSA-N 395.500 -0.944 30 20 GBED Cc1cnn([C@@H](C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1 1791599876 LGAYTRQDHZSRIQ-VGWMRTNUSA-N 388.424 -0.180 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(C)=O 1797964255 PNCDAZOOLIZXML-FMPTWSOUSA-N 397.472 -0.682 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn3nccc3c1)C2 1800777148 HMQJLFDRUMOMNO-ZSBFGKGUSA-N 382.376 -0.375 30 20 GBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1800998053 OYYCKZVKFXQPHT-QHBPRCKVSA-N 394.453 -0.383 30 20 GBED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3n(n1)CCNC3=O)CC2 1825015318 GCAVTEPGCBUQQW-SECBINFHSA-N 384.421 -0.058 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1831388012 OVAGWKZSJWGOOT-XLIONFOSSA-N 393.484 -0.423 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(C)C)C2)C1 1831401558 BQQHVVPOKJPLNE-PXNSSMCTSA-N 395.500 -0.179 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)n[nH]4)CCO3)C2)CCC1 1835860436 WODVFBCVIKMCTB-SFHVURJKSA-N 389.412 -0.121 30 20 GBED Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)n1 1836067455 DCNWSEIVCDRULO-IBGZPJMESA-N 388.424 -0.210 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncon3)CCO2)C1 1838313898 MYTMBPPOPDGFRZ-DYVFJYSZSA-N 380.401 -0.269 30 20 GBED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)n1ccnn1 1839707261 NXQAMDAMDMWGAU-KDOFPFPSSA-N 388.428 -0.401 30 20 GBED COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 63765610 XLWYATVLCGFMAG-UHFFFAOYSA-N 392.437 -0.207 30 20 GBED CCS(=O)(=O)NCCNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 268112894 JOBBDTNPCRGCFA-LBPRGKRZSA-N 381.462 -0.492 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 272030977 OVOHYHQEGOIMNA-UHFFFAOYSA-N 394.453 -0.172 30 20 GBED C[C@H]1CC[S@@](=O)CCN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N 349463422 VAPQUZOPKBSMCX-UAGWRWDDSA-N 399.560 -0.277 30 20 GBED CN([C@@H]1CCNC1=O)S(=O)(=O)CCCS(=O)(=O)N[C@@]1(C#N)CC1(C)C 349467416 SDNRCVPUSSWLLG-BXUZGUMPSA-N 392.503 -0.862 30 20 GBED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C)nn1CCC#N 533453560 FPYGGGMJYOLRGP-LBPRGKRZSA-N 382.446 -0.416 30 20 GBED COC[C@@](C)(C#N)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 594315157 UULNGNFAOKNDJH-IVMMDQJWSA-N 385.417 -0.006 30 20 GBED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)NCC[C@@]2(O)CCOC2)c1 594629786 CPZMGHVCTSYDEE-CQSZACIVSA-N 389.455 -0.692 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCO1 742633477 DMVHLXIRCTWJIQ-YPMHNXCESA-N 395.437 -0.096 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 773190397 RAXNZGMVMYMAFR-NWDGAFQWSA-N 375.447 -0.010 30 20 GBED Cn1cc(-c2nn[nH]n2)c(=O)n(CCS(=O)(=O)c2ccc(C#N)cc2)c1=O 822605103 YQGXSGMBYVTBTA-UHFFFAOYSA-N 387.381 -0.927 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1C[C@H]2CCCCN2C1=O 837261374 SQEYISJDAZQXQF-DGCLKSJQSA-N 376.438 -0.005 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N(c2cnn(CCOC)c2)C1 837836564 LIOKJSWKSJXIDU-LBPRGKRZSA-N 393.400 -0.563 30 20 GBED C#C[C@H](C)NS(=O)(=O)CCCCS(=O)(=O)N1CCSC[C@H]1C#N 848967722 GBGSDJIOCICEOB-QWHCGFSZSA-N 379.529 -0.022 30 20 GBED C#CC(C)(C)N(C)S(=O)(=O)CCCCS(=O)(=O)N=c1nc[nH]n1C 848969468 NNONMNBWPGDCCB-UHFFFAOYSA-N 377.492 -0.568 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)c1 855472617 ZRXTYRWKZINKSN-ZIAGYGMSSA-N 386.451 -0.860 30 20 GBED C#CC1(O)CN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 934447812 WBWIWRZVPUQYIP-UHFFFAOYSA-N 399.419 -0.522 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1OC 946818594 JFDJGZWPELYFNW-OEYIWLLWSA-N 391.424 -0.146 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2ncn(C)c2=O)nc1 998952142 LOUGLIRLOSOIEE-KBMXLJTQSA-N 380.408 -0.480 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1O 1023919340 OJFIAJXEFITOAQ-MKSNKDDYSA-N 389.452 -0.093 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 1024979357 LCKXOWNCFZQNSK-TUVASFSCSA-N 390.440 -0.710 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cncn3C)C2)cn1 1025708766 YDJVLDYDGADAMG-YFHUEUNASA-N 379.420 -0.098 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2ncc(C(=O)OC)cn2)C[C@@H]1O 1044660638 GKZMCJSBIXIQRC-XGUBFFRZSA-N 376.413 -0.090 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCNC(=O)C1 1096035879 YOVSRZIXALVKGE-OWYFMNJBSA-N 376.457 -0.743 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnc2c(c1)nnn2C 1109533665 OMOATFZOLXEPAQ-AEIGPULVSA-N 381.440 -0.164 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nnn(C)c1C 1110410995 RFCNUKBRDOBQQH-UPJWGTAASA-N 375.433 -0.530 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cccc(-n2cncn2)n1 1111200033 DZJMDFNHIFTUOD-YUELXQCFSA-N 380.412 -0.363 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1nc2ncccn2n1 1111405844 HEOLGWJQBPTUHW-YJNKXOJESA-N 381.440 -0.474 30 20 GBED N#Cc1cccc(NC(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 1116424773 NPHVHTPAEQLQGE-HZPDHXFCSA-N 378.454 -0.728 30 20 GBED C[C@@]1(C2CCN(C(=O)C(=O)N3CCC[C@H](CC#N)C3)CC2)NC(=O)NC1=O 1118452306 ABIBFODAOHMAQB-XIKOKIGWSA-N 375.429 -0.025 30 20 GBED C#CC1CCN(C(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 1261467913 TZGAMBJBAYPTEW-HNNXBMFYSA-N 385.486 -0.537 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 1322622906 QANJDUQNZLDHJT-LLVKDONJSA-N 375.351 -0.630 30 20 GBED COC(=O)N1CC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1323341317 FGVZKKGVAPORDG-OAHLLOKOSA-N 399.407 -0.263 30 20 GBED COCC1(C)CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1323419744 JHKLTSKNIJURDL-CCEZHUSRSA-N 378.429 -0.096 30 20 GBED N#Cc1cc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c[nH]1 1324815406 OHJSYYJNLNBYNS-CQSZACIVSA-N 380.426 -0.626 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 1324838832 VILWEPLRWZUFRO-DZGCQCFKSA-N 387.502 -0.034 30 20 GBED N#Cc1ccncc1C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1330110000 MKKAKZNMIXKZKI-CYBMUJFWSA-N 398.466 -0.772 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCC(O[C@H]3CCOC3)CC2)CCN1C1CC1 1332012686 LTTSTNSLBUXCFH-RDJZCZTQSA-N 376.457 -0.018 30 20 GBED CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@](F)(C#N)C3)CC2)nn1 1347027754 PPGKSKHAJGDIFS-KRWDZBQOSA-N 376.392 -0.012 30 20 GBED N#CC[C@@H](C(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O)c1ccccc1 1571152631 IINOPTMHJBJWEJ-GFCCVEGCSA-N 380.368 -0.057 30 20 GBED N#CCSCC(=O)NCCN(CCO)C(=O)c1ccc(-c2cnn[nH]2)nc1 1577709773 CDMJNDOELRUZTD-UHFFFAOYSA-N 389.441 -0.326 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 1588659021 YAUGPAIUBYXJDH-LBPRGKRZSA-N 385.432 -0.216 30 20 GBED CN(CC(=O)NCC#N)C[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1591038800 UTWFXRBKTMMGFL-CYBMUJFWSA-N 385.432 -0.239 30 20 GBED N#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C12CCC2 1592678337 VALNIZMTNCYXHZ-STQMWFEESA-N 383.416 -0.535 30 20 GBED O=C(CC#Cc1ccccc1)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O 1592802466 BBEVIZYQUWOWGP-CABCVRRESA-N 390.407 -0.236 30 20 GBED Cc1ccc(C(=O)N2C[C@@H](O)C[C@H](C(=O)O)C2)cc1S(=O)(=O)NCC#N 1600331791 DELRIUUMRJOHBB-STQMWFEESA-N 381.410 -0.296 30 20 GBED C=CCN(CCOC)C(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1602852145 JVOSVNSCSVRIDM-UHFFFAOYSA-N 380.430 -0.194 30 20 GBED C#CCC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1757019919 LINATMNYGCPAOB-CTISPVFFSA-N 388.464 -0.082 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)CN(C)S(=O)(=O)CC)[C@H]1C 1757538739 NZNHFYVUGAZVDL-KBXIAJHMSA-N 387.502 -0.035 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc(O)[nH]3)C2)C1 1779641082 WYVJEGSMXJEKLM-JXCVUKRWSA-N 389.412 -0.583 30 20 GBED CN1CCN(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)CC1 1786727224 JFDHKULJSFVVTI-BZSNNMDCSA-N 391.516 -0.093 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CNC(=O)C4)[C@H]3C2)c1 1790860099 OENLXLJNVPDWHN-FQLMCAECSA-N 385.424 -0.384 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC(O)CC3)C[C@@H]21 1791077696 FJXITJBOCHZXSJ-NQBOGQKCSA-N 378.425 -0.395 30 20 GBED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1793380139 JCBFPBKFLADPAP-JLUCKKNBSA-N 398.485 -0.918 30 20 GBED O=C1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)N1 1797836917 BODXQFGUXOJBTH-BZOVPYRMSA-N 388.424 -0.433 30 20 GBED COc1nc(C)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1798248436 HZOPGFNZDMAHTH-FVCICTRLSA-N 387.392 -0.310 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)Cn2nccn2)[C@H]1c1cccnc1 1808961488 QYUMEEOKGWOREV-RDTXWAMCSA-N 382.380 -0.533 30 20 GBED C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2)n1ccnn1 1824693658 WJWZOXWTOPTFAW-ZJUUUORDSA-N 388.409 -0.004 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831216377 NEBOSQZAGNBULY-QRWLVFNGSA-N 389.452 -0.453 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1831394238 ZPAVEUSJBXZCFU-KSSFIOAISA-N 391.428 -0.779 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4CCC(=O)N4)CCO3)C2)CC1 1835119705 WECDKYBCYCLCSQ-UGSOOPFHSA-N 376.413 -0.975 30 20 GBED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1838357156 UMAGQHUJTDYWDH-INIZCTEOSA-N 381.429 -0.317 30 20 GBED NC(=O)CC[C@H](N)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1842880389 INOCDZFBDRYEAN-OABHHXFQSA-N 395.460 -0.688 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@](C)(O)CC(=O)O 1847261462 CXMKZSDKIDNNSS-LRRGAGLDSA-N 393.440 -0.338 30 20 GBED CCN1CCN(CCNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 268847509 XJVIHYHOQKXVED-HNNXBMFYSA-N 393.513 -0.021 30 20 GBED C#Cc1cccc(NC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1 276375937 HOLZOQLCMIWHGT-UHFFFAOYSA-N 396.407 -0.905 30 20 GBED N#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N1CCc2c[nH]nc2C1 349473045 HGXGLAVURMNTAX-UHFFFAOYSA-N 387.487 -0.195 30 20 GBED CC(=O)N1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)CC1 349475704 YIUXJJDQPAXKME-UHFFFAOYSA-N 386.455 -0.659 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCn3ccnc3C2)CC1 349550321 HIFWQLXTOVTJEW-GFCCVEGCSA-N 387.487 -0.517 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)c1 360713946 PPVCCSUGYDYCRH-CQSZACIVSA-N 385.467 -0.509 30 20 GBED CNS(=O)(=O)c1ccc([C@H](C)NS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1 409571849 RYKIMBVXRHSVHF-AAEUAGOBSA-N 388.471 -0.286 30 20 GBED C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@H](C(N)=O)O1 516517509 RMYNLFYJMPAACK-ZWNOBZJWSA-N 383.368 -0.821 30 20 GBED C=CCNC(=O)NC(=O)CN1CCN(Cc2nnnn2-c2ccccc2)CC1 533377983 MZACGUPECNANQU-UHFFFAOYSA-N 384.444 -0.208 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](S(N)(=O)=O)C1 535227614 ZZRIMRXYVORZDR-GWCFXTLKSA-N 386.455 -0.886 30 20 GBED COC1(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCOCC1 588647356 ZQTPECLJZRYPBM-UHFFFAOYSA-N 387.440 -0.086 30 20 GBED COC1(CO)CCN(C(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 594545399 OJBDLLBGDVZNJX-HNNXBMFYSA-N 388.424 -0.067 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CCCCO2)s1 594635663 ADFKBYPYANZARA-UHFFFAOYSA-N 380.473 0.504 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC1 595158882 MJZGCALGTSASMT-LLVKDONJSA-N 397.482 -0.842 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 598029282 RBLXXTDHGNCGEM-KGLIPLIRSA-N 375.410 -0.132 30 20 GBED N#Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)ccc1F 728405336 WBXWZRRJQVLTBK-UHFFFAOYSA-N 384.389 -0.586 30 20 GBED N#CCNC(=O)COC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 731245193 DWPHLWCQJNENBB-GTBONMDNSA-N 384.392 -0.027 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccc(F)c1C#N 760596823 GBPRNXZWFNHTET-ZDUSSCGKSA-N 399.400 -0.234 30 20 GBED Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)c1 763461271 WFDNAVIEDAYBSM-UHFFFAOYSA-N 384.461 -0.055 30 20 GBED CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1 774484240 MWNJXMORDORMFN-UHFFFAOYSA-N 378.360 -0.018 30 20 GBED C[C@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)CCN1CC(C)(C)O 787776539 GPUYHGLEQLSASO-AWEZNQCLSA-N 388.472 -0.215 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc3c2OCO3)CC1 800913371 GCPBWWCSQGPOFP-UHFFFAOYSA-N 379.438 -0.139 30 20 GBED CC(C)(C)OC(=O)N1CCN(CC(=O)NCCn2cnc(C#N)n2)C(=O)C1 803549727 IUEKJZBRIZPCDM-UHFFFAOYSA-N 377.405 -0.655 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 831556520 QRNNYGWEYVACLO-HNNXBMFYSA-N 390.465 -0.349 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccccc2NC(C)=O)CC1 831574811 QZKGFJNFPLMXBG-UHFFFAOYSA-N 378.454 -0.201 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCCN(O)C2=O)cc1 848137917 KEYPHDLUYBRJSW-CQSZACIVSA-N 398.441 -0.190 30 20 GBED COC(=O)C[C@H]1C(=O)NCCN1CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1 917052795 PELRQMQVJLJKKJ-JSGCOSHPSA-N 397.391 -0.125 30 20 GBED CCN1CCN(CC(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C(=O)C1=O 919147906 JHLDUAVLZRSFBA-HNNXBMFYSA-N 384.392 -0.103 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c(OC)ccnc2OC)C[C@@H]1O 970702415 QYJVUWODPFVNHP-MQYQWHSLSA-N 391.424 -0.009 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(O)nc(C3CC3)n2)C[C@@H]1O 970706812 IWHMDCUQEGETOS-RZFFKMDDSA-N 388.424 -0.048 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)CN2CCOCC2=O)[C@H]1CC 985017167 KYAPYHDVQUKZAX-QXSJWSMHSA-N 379.457 -0.068 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1O 1023961609 GPLUZLPFOCBYEK-FPCVCCKLSA-N 377.445 -0.583 30 20 GBED Cn1cc([C@@H]2CN(C(=O)[C@@]34COC[C@@H]3C4)C[C@H]2N=c2cc[nH]c(C#N)n2)cn1 1047678423 CAQFJSVRESCBMW-ZTENYAIWSA-N 379.424 -0.053 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CCNS(C)(=O)=O)n1 1093054924 YLPORQVQZPQQFK-MCIONIFRSA-N 378.458 -0.178 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1=COCCO1 1110253974 WOCOAUKKCBRYOE-SYQHCUMBSA-N 378.429 -0.004 30 20 GBED C#CCN(C)CCCNC(=O)C(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 1117755638 QAWBTCXIXLJSOQ-CQSZACIVSA-N 395.485 -0.439 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCC[C@H]3C3OCCO3)CC2)nc1 1120505471 GFTBLRPLLPIWKC-HNNXBMFYSA-N 385.424 -0.034 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1)[C@@H]1CCCO1 1261154823 SPQQHXVAXGCEES-WOPDTQHZSA-N 375.347 -0.190 30 20 GBED C#CCOCCNC(=O)C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F 1321531524 COVYJFXEAXZJPR-AWEZNQCLSA-N 376.335 -0.558 30 20 GBED Cc1nc(C#N)c(N2CCC(C(=O)NCCN3CCS(=O)(=O)CC3)CC2)o1 1321826371 ZIKSRWQJOSSAJN-UHFFFAOYSA-N 395.485 -0.082 30 20 GBED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 1324342873 ODSKPWIZGRIVCC-UHFFFAOYSA-N 377.449 -0.396 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)C1=O 1327163634 CUUNOPAFWMLBPF-HOTGVXAUSA-N 390.484 -0.004 30 20 GBED C=CCn1c([C@H](C)CO)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1339774517 MUHKIJFWNPTSGX-OAHLLOKOSA-N 378.477 -0.459 30 20 GBED N#Cc1nc(NC(=O)Cc2csc(N3CCOCC3)n2)[nH]c1-c1nn[nH]n1 1571268895 YUCHPRXYJGQOAD-UHFFFAOYSA-N 386.401 -0.064 30 20 GBED C#CCOCCC(=O)NC[C@]1(C)CN(c2cnc(-c3nn[nH]n3)cn2)CCO1 1573288334 UMNMJPHTNITLSG-QGZVFWFLSA-N 386.416 -0.592 30 20 GBED C=CCn1cc(C(=O)NC[C@@H](C)N(C)C(=O)[C@H](C)OCc2cnn[nH]2)nn1 1575112743 XCJHPRYSOQBISI-NEPJUHHUSA-N 376.421 -0.236 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@H]2CNC(=O)CSCC#N)n1 1580673907 UBWUVRWAQUBVDJ-LLVKDONJSA-N 389.445 -0.457 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2OC)cn1 1588369969 FPLZXCWWGPBGBK-ZIAGYGMSSA-N 391.395 -0.333 30 20 GBED C=C(C)Cn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1C[C@H]2COC[C@H]2C1 1588436281 MNYKYOFQSOIRMU-TXEJJXNPSA-N 383.420 -0.243 30 20 GBED C[C@@H](NC(=O)CSc1nc(N)c(-c2nn[nH]n2)cc1C#N)C(=O)N(C)C 1589926303 KXOMUUCJHABAPU-SSDOTTSWSA-N 375.418 -0.599 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2c(C)nn(CCC(=O)O)c2C)CC1 1602726936 XRSNQFKGNXWMJQ-UHFFFAOYSA-N 383.474 -0.440 30 20 GBED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1651462938 WMCRNVQSTUNJRV-LLVKDONJSA-N 377.401 -0.817 30 20 GBED CN(C)C(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779016889 SOVSXLFWNIPWJX-LSCADSNKSA-N 379.461 -0.624 30 20 GBED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1779315522 DHFASPIYDRQPCF-KBXCAEBGSA-N 378.429 -0.729 30 20 GBED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557455 HNKXMQIKYWZCQE-SFHVURJKSA-N 379.413 -0.933 30 20 GBED CC(C)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C(C)C 1783562930 SLUYTILUPYZFIW-HKUYNNGSSA-N 379.457 -0.073 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1783563806 AHODDJQGHIDQPT-GOSISDBHSA-N 388.380 -0.803 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)CC1 1783980546 VKTWKLHXUUXDIM-OAHLLOKOSA-N 388.346 -0.201 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)[C@H]2C1 1783995611 SELLZFMWILCNCB-XQLPTFJDSA-N 395.456 -0.515 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1 1792285130 OLPGCAHPJOEKNU-XUXIUFHCSA-N 383.449 -0.565 30 20 GBED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)O2)cc1 1793415891 RXJOZZMKIVTNHH-DFGXFYAUSA-N 398.419 -0.201 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)ncn2)c1 1793493467 YSEURFSYELTODZ-DRXBFXEBSA-N 382.380 -0.101 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC(N)=O)C2 1793819872 CLKRHUOFECCWPY-QVHKTLOISA-N 384.502 -0.058 30 20 GBED O=C1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)N1 1795389078 KTBKQWQSWZHXFR-ZGXQQMJOSA-N 391.472 -0.674 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1=O 1795448861 KFBXZGKACQWTTA-ZXFNITATSA-N 377.441 -0.763 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnnc1O 1798384255 RUSKYNLUPQZCHL-AYRXBEOTSA-N 390.440 -0.042 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1800450974 SKFBBSJBNJXIEF-FQLMCAECSA-N 395.456 -0.515 30 20 GBED CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(C#N)CCC1)C(=O)C(=O)O 1804114840 OQXMSRPGOBAXPP-CLLJXQQHSA-N 376.413 -0.139 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(O)nn4)C3)C2)CC1 1835341310 WNIOSKZXUVKAOB-GOSISDBHSA-N 387.396 -0.444 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)C1 1835555773 JCGSSSCOVQWYFW-HNAYVOBHSA-N 394.472 -0.998 30 20 GBED Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1838529037 IICKHNJDRDWQLO-NRFANRHFSA-N 399.447 -0.131 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1840158519 MXUWZAKPUMLEAG-YVEFUNNKSA-N 398.485 -0.631 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)OC)CCO2 1840204282 MURCOURZQQJELY-VKRNSVOSSA-N 395.456 -0.664 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)CC1 1840447030 UKHMEALZRDLYSH-GOSISDBHSA-N 388.428 -0.572 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)CCC1 1840813760 UKORQIBDBVAAEJ-SFHVURJKSA-N 388.428 -0.572 30 20 GBED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CNC3=O)C2)cc1 1841848102 PUFBSPVHCNEEOK-UHFFFAOYSA-N 381.392 -0.073 30 20 GBED C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 67294111 AFJXOVHYCQMHMV-KRWDZBQOSA-N 398.463 -0.097 30 20 GBED CC/N=C(/NCC(=O)N(C)C)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 262325410 TUAFUJPXPMWBTM-CQSZACIVSA-N 389.522 -0.834 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@H](O)C2)CC1 264958877 FLNWSSTUKBYVMT-HNNXBMFYSA-N 378.454 -0.542 30 20 GBED COC[C@](C)(NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC 268842147 CXTGAEFETLQSGO-ZBEGNZNMSA-N 383.426 -0.081 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21)c1cc[nH]n1 276613943 PYHYTLYJWUJBRX-BZWRCDHKSA-N 377.401 -0.037 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCN(C(=O)COC)CC1)c1cc[nH]n1 276617916 QKAPSZNWTODHQV-XDJHFCHBSA-N 381.389 -0.989 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H](C)CC[C@@H]3O[C@@H](C(=O)OC)C[C@H]32)C1=O 283711807 WZBSBDJUQCXYQG-FVCCEPFGSA-N 393.396 -0.327 30 20 GBED CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(S(=O)(=O)CCCS(=O)(=O)NCC#N)[C@H]31 349478695 KYKBEEFLAVNQGM-QSLWVIQJSA-N 377.488 -0.496 30 20 GBED CCN1C[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)C[C@@H]1C 349481342 ZMZLSDWZAUDLPW-UONOGXRCSA-N 380.536 -0.094 30 20 GBED C[C@H]1CC(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N 349510389 QPHMWRXWYBNULZ-LBPRGKRZSA-N 394.519 -0.520 30 20 GBED CC(=O)N[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)C1 349522304 MQUROKPGPXATSK-DGCLKSJQSA-N 380.492 -0.910 30 20 GBED C[C@@H]1CN(c2ccc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)cn2)CCO1 409585041 NTLAAJARKVGAJY-HIFRSBDPSA-N 381.458 -0.135 30 20 GBED CNC[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 418967114 RQSCAZJEZVVGLS-IAGOWNOFSA-N 383.452 -0.014 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1 460711794 ATOQVMSDQGYEJL-ZDUSSCGKSA-N 394.395 -0.378 30 20 GBED CC(=O)NCCNC(=O)CCC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465193080 IRODEIGZYDBMII-ZDUSSCGKSA-N 387.444 -0.582 30 20 GBED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(C)cnn2C)c1=O 505659249 IMXXZKHWNBZZAC-UHFFFAOYSA-N 387.465 -0.667 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCCO[C@H]3CCOC3)CC2)c1 558072022 QLRPYMTUCZZGRL-INIZCTEOSA-N 387.440 -0.086 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 576240649 DQUHQQPFAGEWPI-NSHDSACASA-N 398.466 -0.470 30 20 GBED C[C@H](NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1cccc(C#N)c1 587671983 AYAUZAMNGWRWBP-ZDUSSCGKSA-N 396.411 -0.907 30 20 GBED CCN(CCC#N)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C 591333014 ADVWPCDCRPOIEG-GFCCVEGCSA-N 395.503 -0.093 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](O)CN2CCCCC2)cc1 592777411 ODNCCTUULFSGNN-OAHLLOKOSA-N 380.470 -0.200 30 20 GBED COCCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1 594618459 BPRXIGOVXVEGNZ-GFCCVEGCSA-N 391.471 -0.494 30 20 GBED C[C@@H](C[S@](C)=O)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 594627425 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C[C@@H](CC(=O)NCCNC(=O)N(C)C)/N=C1/NS(=O)(=O)c2ccccc21 777445345 OBEVHVWEHZZHDP-NSHDSACASA-N 381.458 -0.109 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H]2COC3(CCOCC3)O2)c1 810923783 XBJHXVHXYUIMNV-AWEZNQCLSA-N 395.437 -0.125 30 20 GBED CCO[C@@H](CNC(=O)c1cc(C#N)c[nH]1)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 825576897 PVUJJTDSCNVLER-LBPRGKRZSA-N 397.399 -0.041 30 20 GBED CN1CC[C@H](C(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)S1(=O)=O 842771157 HCLQPVJVJBEADE-QWHCGFSZSA-N 380.382 -0.046 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@]12CCOC2=O 848958309 YYXVNJOBUUMBLV-ZDUSSCGKSA-N 379.460 -0.727 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N=c1cc[nH]cc1)[C@@H]1CCCO1 848964903 ZEDPUDNIVWAWIG-CABCVRRESA-N 387.483 -0.265 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CCOCC2CCCC2)CC1 872515252 JXQIPKZIQMCPKM-UHFFFAOYSA-N 393.531 -0.392 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(CC(F)F)C2)CC1 895409745 LKPBIIWTBOGHPP-GFCCVEGCSA-N 379.433 -0.879 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)C[C@H]1C 940383192 JJFHXCRQUHACOB-OXHZDVMGSA-N 376.413 -0.346 30 20 GBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cncn3C)C2)nn1 970698245 JPKAHQCCWCUKQR-JXFSHQFZSA-N 385.428 -0.697 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc3[nH]nnc3c2)C1 1024241898 ZHEUTLKKHDXPSR-NGFQHRJXSA-N 386.412 -0.364 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnc(OC)n2)C1 1024894931 VPVMJEXOLHQMKD-NGFQHRJXSA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccc(C)cc2=O)C[C@H]1O 1025711453 URYPBOFCHMJXHX-FPCVCCKLSA-N 375.425 -0.564 30 20 GBED C=CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)C(=O)NC(N)=O)nn1 1109820739 SUHJPYTUWXOAAG-OPDFLTKYSA-N 375.433 -0.227 30 20 GBED C[C@@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ncn(C)n1 1117489766 ZVERNXGLZISPQC-DOMZBBRYSA-N 395.423 -0.219 30 20 GBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1 1207582963 HHEAFLKKRDXOTM-IIVZCXTMSA-N 388.472 -0.036 30 20 GBED C[C@H](CNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)S(C)(=O)=O 1322953350 CQUQLBQRBVXDDF-GFCCVEGCSA-N 393.469 -0.412 30 20 GBED N#CCn1cc(NC(=O)C(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)cn1 1325189809 NYAPBTFUASFTIO-UHFFFAOYSA-N 394.457 -0.238 30 20 GBED COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1=O 1326109270 AYXKSFRNOBJPLS-BFUOFWGJSA-N 386.408 -0.206 30 20 GBED C#CCN(C)C(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 1327186521 AGPRVXYUYXWLMV-UHFFFAOYSA-N 385.468 -0.073 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O 1328844808 SJHRHUKUWMLUBX-ZDUSSCGKSA-N 397.428 -0.236 30 20 GBED C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329453324 MWIVTPWNKDIMAT-GDBMZVCRSA-N 377.489 -0.511 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)N[C@H]1CCS(=O)(=O)C1 1340246236 PXTWXLWHSDNHOW-STQMWFEESA-N 378.458 -0.838 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)[C@@H]1CCCO1 1347565199 IRMNJEHQXIJOFR-AVYPCKFXSA-N 398.419 -0.346 30 20 GBED CCN(C(=O)Cn1c(=O)c(C#N)c(C)n(C2CC2)c1=O)[C@H]1CCS(=O)(=O)C1 1459218689 PMCFXBCLBWVNLR-ZDUSSCGKSA-N 394.453 -0.439 30 20 GBED C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1573584411 VLBJSHWUHYQYAF-LLVKDONJSA-N 385.432 -0.335 30 20 GBED C#CCOCCC(=O)N(Cc1cnn[nH]1)C1CCN([C@H](CC)C(N)=O)CC1 1575013519 QNDSLXXGYGEWTH-MRXNPFEDSA-N 376.461 -0.099 30 20 GBED N#Cc1ncc(N2CCN(c3ncccc3C(N)=O)CC2)nc1-c1nn[nH]n1 1581883365 XOEWAYOFKQUPQR-UHFFFAOYSA-N 377.372 -0.651 30 20 GBED C#CC[C@H](COC)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588333868 GWKXLTZWWIHNOC-WCQYABFASA-N 392.441 -0.312 30 20 GBED C#CCO[C@H](C)C(=O)NC1(CO)CCN(c2ccncc2-c2nn[nH]n2)CC1 1588355604 KFEIZBJRLDZSRC-CYBMUJFWSA-N 385.428 -0.253 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@]1(C)CN(c2ccc(-c3nn[nH]n3)nn2)CCO1 1588356546 DGGOKERQVCGFOO-SJKOYZFVSA-N 386.416 -0.594 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@@H]1O 1588357713 PNEHZFWDGOVJKB-YIZRAAEISA-N 397.848 -0.319 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)nc1 1588366992 FENGVXAIKMCQBG-JSGCOSHPSA-N 391.395 -0.597 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H](O)CNc1cncc(-c2nn[nH]n2)n1 1588436875 VDVATWBHJXNKSU-HUBLWGQQSA-N 388.432 -0.131 30 20 GBED CN(CCOCCNC(=O)c1ccc(C#N)[nH]1)c1cncc(-c2nn[nH]n2)n1 1591110260 DWDBILXJBZUYRR-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@@H]1O 1602885298 ACGHOMKGYSQDQI-ZZVYKPCYSA-N 386.416 -0.778 30 20 GBED C#C[C@@H]1COCCN1C(=O)C(=O)N1CC[C@H](Oc2ccc(-c3nn[nH]n3)cn2)C1 1609020130 SBZIQFJILWITOW-KGLIPLIRSA-N 397.395 -0.898 30 20 GBED C#CCNC(=O)CN1CCC2(CC1)C[C@H]2NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1752426768 KYVCJIHYDWVRGT-LISAXSMJSA-N 375.469 -0.242 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778603009 YODSICNSPWUQGV-GOSISDBHSA-N 383.364 -0.739 30 20 GBED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)NC(=O)OCC)C1 1779201490 PPCNJZHVOGKYSM-LSBZLQRGSA-N 395.456 -0.022 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccn3cncc3c1)CCO2 1783565724 XZCLSPXZGPBWBX-LJQANCHMSA-N 382.376 -0.134 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC)NC(N)=O)[C@H]2C1 1787405389 NBAIEBSODCOEQE-QXKUPLGCSA-N 394.472 -0.549 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789760575 QKBIEXMMKDMASR-NQCBRMCBSA-N 381.473 -0.720 30 20 GBED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21 1789892394 XDWMOUWXJGHQTR-JYJNAYRXSA-N 398.456 -0.516 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1 1792282555 KZVHBOKRRGAMJJ-IHRRRGAJSA-N 396.444 -0.856 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H](NC)C(=O)O)C2 1792566248 KSEBSZVBQSYHGA-GJUCYTSISA-N 392.456 -0.454 30 20 GBED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1C(N)=O)C2 1792630196 ACYXCCVTYDFGNF-DABQJJPHSA-N 385.424 -0.067 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2ccsc2n1 1797486275 ZZKVLPGBIVGASG-QHBPRCKVSA-N 388.405 -0.313 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)ncn1)C2 1800777791 CCKVZPBOJWTEBE-KEODLESXSA-N 378.772 -0.579 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1829765014 DWQJSGGVJPEUHD-DDKKJVIOSA-N 376.413 -0.785 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1830056401 WDQHHLNZADNEJG-KRWDZBQOSA-N 376.417 -0.716 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1831425938 XIUSWOZMHLQJIX-HNAYVOBHSA-N 392.456 0.000 30 20 GBED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1831454254 KWECTRKFDLONOH-CZUORRHYSA-N 387.458 -0.963 30 20 GBED Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834765329 DNWYYQVULRMLHO-GOSISDBHSA-N 375.429 -0.061 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C)CCO2)C1 1834943898 DSRHDNQZCIXQBU-QAPCUYQASA-N 384.477 -0.195 30 20 GBED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1)n1ccnn1 1835362307 KYOFRNFOUVIZEU-YOEHRIQHSA-N 376.417 -0.401 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2 1837211020 DLNKHZLWJLUWLN-PBHICJAKSA-N 385.417 -0.917 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837366149 KWMAOFCKCJCHRO-SCLBCKFNSA-N 378.429 -0.469 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1839805574 LVUQFFMDSCNTCY-FQEVSTJZSA-N 382.420 -0.034 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839864712 KZAMMCWKYDYBJK-KBXCAEBGSA-N 398.460 -0.491 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839957956 NOEXDOITIYXJIZ-XLIONFOSSA-N 387.436 -0.040 30 20 GBED Cc1ccn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)n1 1840158211 IVIYQYHNMZMDDS-YOEHRIQHSA-N 382.486 -0.034 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 10453573 KCWOYESFNSWYAJ-AWEZNQCLSA-N 397.478 -0.174 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCNC(=O)C3)CC2)cc1 16064824 JGYKBEFIKRJNOM-UHFFFAOYSA-N 376.438 -0.083 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c1 269914516 DPLDKVBVOSGNCQ-CYBMUJFWSA-N 399.494 -0.391 30 20 GBED N#Cc1ccc(NC[C@@H]2CC(C(N)=O)=NO2)nc1NC[C@@H]1CC(C(N)=O)=NO1 289782862 XDYUVKKLNHOVGJ-UWVGGRQHSA-N 386.372 -0.963 30 20 GBED CCS(=O)(=O)C[C@@H](C)/N=C(/O)N1CCN(C(=O)C(=O)NC(C)C)CC1 330753098 CWWVZEVEFKNJGI-GFCCVEGCSA-N 376.479 -0.608 30 20 GBED CN([C@@H]1CCNC1=O)S(=O)(=O)c1ccccc1S(=O)(=O)NC1(C#N)CC1 349449297 KQAYPRJFUIIDEY-LLVKDONJSA-N 398.466 -0.470 30 20 GBED CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1nc2ccccn2n1 349462018 RXJWYKHKODWASU-UHFFFAOYSA-N 385.471 0.146 30 20 GBED CC(=O)N1CCCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)CC1 349533018 CUUOZXFPUKQGGX-UHFFFAOYSA-N 392.503 -0.764 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H]3C[C@H](N(C)C)CC[C@@H]32)C1=O 366429041 MVVMQKMQQDCMDS-HZSPNIEDSA-N 378.429 -0.327 30 20 GBED CCOCCCN(C[C@H](C)C(=O)OC)S(=O)(=O)N1CCO[C@H](C#N)C1 410161961 NMTBGXQUXAJWIT-UONOGXRCSA-N 377.463 -0.007 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@H](C(N)=O)CC[C@H]1C 430216955 JSNKBRASISRMMZ-TZMCWYRMSA-N 395.423 0.498 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](CO)C[C@@H](OCCOC)C1 430416791 JXNZALLXAGGAJA-HZMVEIRTSA-N 384.473 -0.044 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)CCO1 436489901 NWGGLRKDONQEES-HNNXBMFYSA-N 380.426 -0.381 30 20 GBED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 444437971 NCJRHFLSYXKKBU-ZBFHGGJFSA-N 395.437 -0.296 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)NC[C@@H](O)COc2ccc(F)cc2)n1 444504612 CVGUIFLYHAXVEL-CYBMUJFWSA-N 375.360 0.430 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[S@](=O)[C@H](C)C1 460711425 XUFGQKYKNVTIME-KHXSAUHESA-N 386.437 0.365 30 20 GBED CN(C)CCNS(=O)(=O)c1cccc(NC(=O)Cn2cnc(C#N)n2)c1 462752270 GBPJXHZFBPJZIJ-UHFFFAOYSA-N 377.430 -0.372 30 20 GBED CN(CCCNC(=O)CS(=O)(=O)c1ccc(C#N)cc1F)S(C)(=O)=O 476054159 ZMJFRPSWLHFQNK-UHFFFAOYSA-N 391.446 -0.131 30 20 GBED Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508543974 SDDOPZRJCAOOLG-CYBMUJFWSA-N 381.396 -0.587 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 511344057 ONFCSXVNKNHXMW-KBPBESRZSA-N 396.535 -0.209 30 20 GBED N#Cc1cccc(CNC(=O)CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 532706535 WWDFQEUOPZBVAT-DLBZAZTESA-N 392.481 -0.738 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 557730826 FLPGXMNPZCVNAI-HNNXBMFYSA-N 391.516 -0.436 30 20 GBED Cc1ccc(C(=O)N[C@H](C)C(=O)NCCN(C)C)cc1S(=O)(=O)NCC#N 565205199 ASZSBNKBGZRSKN-CYBMUJFWSA-N 395.485 -0.407 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@]1(O)CCOC1 584124920 VQNVYOFUGQOXBU-CQSZACIVSA-N 389.455 -0.740 30 20 GBED CN(CCCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)S(C)(=O)=O 589305428 IJNXGJXORROTTE-UHFFFAOYSA-N 388.471 -0.766 30 20 GBED CC#CC[C@H](CO)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 591933791 PUGZUZCFBSXPKH-GFCCVEGCSA-N 384.414 -0.053 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@H]4CCC[C@@]4(N)C3)CC2)c1C#N 598731808 MNGGBEINDMNHHG-AUUYWEPGSA-N 385.472 -0.411 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)cc1 658456979 ZSZBVIVKURABAP-ZIAGYGMSSA-N 395.437 -0.531 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 756748915 ORMPHTQNYWSUPI-NHYWBVRUSA-N 385.446 -0.315 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2c(c1)COC2 771897619 PTCBBLULHNADRK-UHFFFAOYSA-N 378.410 -0.183 30 20 GBED C=C(Br)CNC(=O)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O 807769128 SHUVHZVWEMXILC-SNVBAGLBSA-N 384.234 -0.025 30 20 GBED C=CCNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(-c3nn[nH]n3)cc2)C1=O 819751595 XNNGVVWIGXCIKH-KRWDZBQOSA-N 398.383 -0.355 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 823849954 DXOKQUQACLNZSR-UHFFFAOYSA-N 379.421 -0.409 30 20 GBED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 823932092 OGEJCVITSLHASX-UHFFFAOYSA-N 375.407 -0.115 30 20 GBED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C 839278279 KHLOHOVULVZHRR-UHFFFAOYSA-N 375.454 -0.774 30 20 GBED C#CCN(C)S(=O)(=O)CCCCS(=O)(=O)Nc1ccc(=O)n(C)c1 848968820 MFFKVFYVHLPNRK-UHFFFAOYSA-N 375.472 -0.198 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccnc3[nH]nnc23)[C@H](OC)C1 943912547 JLDJHOFIVMAQSK-RUZUBIRVSA-N 386.412 -0.100 30 20 GBED Cn1c(O)ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2ccc(C#N)[nH]2)c1=O 996093768 SHPKBJZKOUCBQN-SWHYSGLUSA-N 382.380 -0.139 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1O 1023915922 JJWARRWIKVKQQT-DCDXPUDHSA-N 376.413 -0.557 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1O 1023942638 HTHDWUSCTHKHCS-SHFYGJNESA-N 375.425 -0.332 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(C)cc2=O)C1 1024183291 SLEKCLOGOPKPGJ-UWIFEVILSA-N 389.452 -0.024 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1nc[nH]n1 1109958184 YJPXXDLTVCFGDU-NDBYEHHHSA-N 375.433 -0.531 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(O)nc2ncn(C)c12 1110648189 ZLTFWXAXQFRSRV-BNOWGMLFSA-N 382.424 -0.242 30 20 GBED C=C[C@H](COC)NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 1116644122 XXNVFWRCSLAUEM-SOUVJXGZSA-N 390.506 -0.131 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCC1CCNCC1 1118334879 VUSDWFWWCWRAKV-AWEZNQCLSA-N 385.472 -0.109 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 1119546567 BLQAFAFYIUKHKB-AWEZNQCLSA-N 399.451 -0.069 30 20 GBED C=CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1129107315 XOSMQHPTCJHCSI-FTBKSCEHSA-N 386.456 -0.655 30 20 GBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2CNCC#N)n[nH]1 1130235229 ZUHRKVKPHPKRIX-RVMXOQNASA-N 375.433 -0.869 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N(C)CC(F)(F)F)C[C@@H]1O 1220382981 SHRQPFIRSVIPPG-NDBYEHHHSA-N 379.379 -0.241 30 20 GBED CN1CCN(C)[C@H](CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 1252597997 QVLFCIFKXIZSEW-MRXNPFEDSA-N 396.455 -0.501 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)c1C#N 1320664820 NUNDHEAWFJFKNH-UHFFFAOYSA-N 394.501 -0.080 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)C1 1326248475 JJIPYOFHKAXGGJ-IBGZPJMESA-N 385.424 -0.689 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1327259719 VAAZXPWRYAXXNK-LBPRGKRZSA-N 376.413 -0.133 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCOC[C@@H]1C1CCC1 1329330623 FZXWDCFOGDWNIY-UWZWCOGJSA-N 376.413 -0.344 30 20 GBED CN1CC[C@@](O)(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)C1 1554357944 JHMAWUJUPDHZQI-ROUUACIJSA-N 391.451 -0.091 30 20 GBED C=C[C@@](C)(O)CC(=O)NCCN1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 1573309248 FVAURELHMZYREF-QGZVFWFLSA-N 387.448 -0.778 30 20 GBED C=CCCOCC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[nH]n3)nn2)C1 1573337370 WOAZNGNMMBULEM-QGZVFWFLSA-N 388.432 -0.303 30 20 GBED C=CCCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(=O)NCc3cnn[nH]3)C[C@@H]21 1575099846 FPRFXMNOXLWVJC-FHXAZYNBSA-N 376.461 -0.163 30 20 GBED CN(C[C@@H](O)CN(C)c1cncc(-c2nn[nH]n2)n1)C(=O)c1c[nH]c(C#N)c1 1579030105 MQYRDJAIVDFYPD-LBPRGKRZSA-N 382.388 -0.574 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCO[C@H](CNc2nccnc2-c2nn[nH]n2)C1 1588356088 SJLSHYUHAIYAHL-CHWSQXEVSA-N 386.416 -0.276 30 20 GBED C=CCCO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588609246 VUEGYEUHGPYAKI-LERXQTSPSA-N 389.416 -0.523 30 20 GBED C=CCn1cc(C(=O)N(C)[C@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C2)nn1 1588711091 JBVBDQYHNACGTF-NSHDSACASA-N 381.404 -0.215 30 20 GBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)C1 1592670726 MDGIRXBYGQCERS-KRWDZBQOSA-N 399.390 -0.626 30 20 GBED COc1ccccc1C[C@@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)O 1599707584 OZXGFHGBYKDLJC-KBPBESRZSA-N 383.426 -0.003 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@](COC)(C(=O)O)C2)cc1 1602702118 JUPTZTRYKJLZJY-QGZVFWFLSA-N 396.421 -0.460 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC/C=C\CN=c1cc[nH]c(-c2nn[nH]n2)n1 1602756579 RJZFCHUBXDZSLC-DSYXLKISSA-N 385.432 -0.366 30 20 GBED Cn1cccc1C(=O)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1646284047 ZVWXLMVMWAKLDY-UHFFFAOYSA-N 384.396 -0.466 30 20 GBED CCN(CCC#N)C(=O)CN1CC(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1713912341 ZEMDZTRIJXJRMQ-XYJFISCASA-N 378.473 -0.152 30 20 GBED Cn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1767503314 LREVWUPAYFZDDX-UHFFFAOYSA-N 393.411 -0.158 30 20 GBED COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCOC1 1769847670 YMCHLHRURAHKKP-SFHVURJKSA-N 392.460 -0.082 30 20 GBED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1781854781 PBZXTJJFAXLOEP-DYVFJYSZSA-N 382.417 -0.427 30 20 GBED C[C@](O)(C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C(F)(F)F 1783558011 MQKAEMVMZRSVPP-UONOGXRCSA-N 378.303 -0.782 30 20 GBED CN1N=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)CCC1=O 1792629013 FQMCXVKXEYIJDB-JJLQDPRZSA-N 375.429 -0.266 30 20 GBED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1793260478 MWSHUVHVEZVPIW-FVCICTRLSA-N 384.392 -0.209 30 20 GBED CC(=O)O[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)C(C)C 1797596029 HXAKUPIZAPWRKW-DLTLXFJOSA-N 380.397 -0.748 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=S)NCC 1800183499 SMTQRUYBLGHPDO-HGTKMLMNSA-N 396.513 -0.902 30 20 GBED C[C@H](C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1)n1cnnn1 1812882339 LJBAUNBDAFICLF-SUYBPPKGSA-N 397.395 -0.577 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1832451830 MPOGLDKBMRNCLT-QGZVFWFLSA-N 385.486 -0.550 30 20 GBED Cc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)c1F 1833703287 FFEZEAPMODTVJK-QGZVFWFLSA-N 379.392 -0.149 30 20 GBED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835355251 ZRGKBWBSTAJSRS-LJQANCHMSA-N 394.472 -0.091 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837249351 AFLXBJTVSBSQLH-JXCVUKRWSA-N 376.413 -0.809 30 20 GBED Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1838529038 IICKHNJDRDWQLO-OAQYLSRUSA-N 399.447 -0.131 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1839808518 SQNLUTSCHMOENC-CQSZACIVSA-N 378.303 -0.819 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1840160705 PXDLRVJATWBZFE-YGRLFVJLSA-N 396.412 -0.129 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCn1cncn1)CCO2 1840360307 YUZKYZMBUBYCLL-LJQANCHMSA-N 389.456 -0.072 30 20 GBED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843350994 WYZMOZRTVXRJNA-KBPBESRZSA-N 393.488 -0.608 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1844157477 OIFXYVBEFVLOJI-ZDUSSCGKSA-N 395.460 -0.464 30 20 GBED C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2cc(C#N)ccn2)CC1 47858632 QVHXOMPKRANPEL-UKRRQHHQSA-N 377.470 -0.233 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](N2CCOCC2)C(F)(F)F)C1=O 286312172 FGXWPHQUWLPVMX-JTQLQIEISA-N 392.334 -0.658 30 20 GBED C=CCOC[C@H]1NC(=O)N(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 348571172 JXEFTLJWGXKIAZ-LLVKDONJSA-N 398.397 -0.004 30 20 GBED N#Cc1cccnc1NS(=O)(=O)CCCCS(=O)(=O)N[C@@H]1CC[C@H]1O 349594769 WCXNKBJWUJVOJS-CHWSQXEVSA-N 388.471 -0.082 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 418827688 LXKYVXBFCUIXNX-VYDXJSESSA-N 378.473 -0.493 30 20 GBED COc1cccnc1CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 422449205 CYQDZJHBYREQAH-UHFFFAOYSA-N 397.439 -0.031 30 20 GBED COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3cc(C#N)ccc3OC)C2)nn1 442476346 IRUKVHSTEZERBC-UHFFFAOYSA-N 384.352 -0.033 30 20 GBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(I)cc1 509014222 IFFAJIVBOKKZJV-UHFFFAOYSA-N 386.149 -0.014 30 20 GBED N#C[C@H]1CN(C(=O)NCCCN2C(=O)CNC2=O)C[C@]12C(=O)Nc1ccccc12 514033350 SKCUEFFVSAETOR-BUXKBTBVSA-N 396.407 -0.017 30 20 GBED CN(C)C(=O)[C@@H]1CSCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 517569116 IJYRULCKIWLWHF-ZDUSSCGKSA-N 382.467 -0.174 30 20 GBED Cc1nc(S(=O)(=O)NCC(=O)N(CCC#N)CCN2CCOCC2)cn1C 524268633 OSTHILABGIHUNT-UHFFFAOYSA-N 398.489 -0.919 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCn4ncnc4C3)C2=O)cc1 570357761 CBFXVRMIEWKWMH-OAHLLOKOSA-N 393.407 -0.196 30 20 GBED N#Cc1cccc(NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 583629966 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COC(=O)CNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767629131 IKEXDNCJVKPVKV-JTQLQIEISA-N 383.382 -0.943 30 20 GBED O=C1NC(=O)C(=NNC(=S)NC2CCN(Cc3ccccc3)CC2)C(=O)N1 814213468 MDTKDWLXSGOXEH-UHFFFAOYSA-N 388.453 -0.163 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H](C#N)C1CC1 820445601 QZBIHSZWCIQIBW-TVQRCGJNSA-N 375.414 -0.048 30 20 GBED C#CC[C@H](NC(=O)c1ccnc(C(=O)N[C@H](CC#C)C(=O)OC)c1)C(=O)OC 837942258 DASHAWZIKLUGCI-UONOGXRCSA-N 385.376 -0.329 30 20 GBED CN(CCN1CCNCC1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 843338136 ITPJYXMVCXXYIQ-UHFFFAOYSA-N 379.486 -0.521 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H](CO)NC(=O)c1cccc(F)n1 845896859 VPHQXPVRQZBBPJ-ZDUSSCGKSA-N 389.391 -0.420 30 20 GBED C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C#CC3CC3)[C@H]3CS(=O)(=O)C[C@H]32)CCN1C 995443182 GPSLUKIALPIDCX-MXASKKJJSA-N 393.509 -0.424 30 20 GBED CN1C(=O)CC[C@H](NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C1=O 1118179966 KHNGRWDRAVXBMZ-AWEZNQCLSA-N 383.408 -0.530 30 20 GBED 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CN(C[C@H](O)CN(C)c1cncc(C#N)n1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1579030630 YPGIYZJEDLRPRW-LLVKDONJSA-N 382.388 -0.574 30 20 GBED C#CCNC(=O)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588354557 PSVXPALMBQGFPS-HUUCEWRRSA-N 382.428 -0.377 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2F)C[C@@H]1O 1588505661 ULKWYKAAGSNVHS-BFQNTYOBSA-N 377.380 -0.606 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[nH]n3)C[C@@H]2O)nn1 1588713218 HUOQNFFRRYAMJG-YPMHNXCESA-N 382.388 -0.981 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)N(C)CCNc1cncc(-c2nn[nH]n2)n1 1602864156 XXBQKBFFLYKJBZ-UHFFFAOYSA-N 388.436 -0.209 30 20 GBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1CC#N 1661379924 JLJZQTILNUVHRL-ZDUSSCGKSA-N 385.467 -0.324 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CC(NS(C)(=O)=O)C2)[C@H](C#N)C1 1679945232 UWEBFJAEMXQAGZ-ZYHUDNBSSA-N 387.462 -0.312 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCCN2C(=O)CCC2=O)C[C@H]1O 1757036589 SUPFRXIZERERRL-TUVASFSCSA-N 393.440 -0.805 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778257780 JDSSHXXGIXITMV-LJQANCHMSA-N 396.557 -0.017 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4cncn4c3)C2)C1 1778696314 VXCLIAOOPVKKAF-LJQANCHMSA-N 382.376 -0.134 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)NC3)CCO2)C1 1778965124 NJPXTDAKZLTEMA-QEEYODRMSA-N 393.484 -0.084 30 20 GBED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780247336 IRSFWLQYYMVTRO-ZKSMDFIPSA-N 399.407 -0.075 30 20 GBED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)N1CCN(C)CC1 1781089742 HKOHRIVSTQKNMD-LAUBAEHRSA-N 388.512 -0.134 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3nccn3c1)CCO2 1783561871 NFYCTEFSFDMPAN-LJQANCHMSA-N 382.376 -0.134 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(c1)CNC3=O)CCO2 1783564728 KPJRFAFRZIXISK-FQEVSTJZSA-N 397.387 -0.539 30 20 GBED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1786367689 LXMYRIPCNQTAAZ-YDHLFZDLSA-N 396.407 -0.404 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCSCC1)C2 1793341469 VCZNVDZZWJUBMX-CUSZFKRNSA-N 395.525 -0.337 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)NCC)C2 1793344122 IMMITUZYJQBVKW-DGADGQDISA-N 394.472 -0.678 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCCC1=O 1800891288 ZWSXYCWYQJYTNV-OAFZBRQQSA-N 391.468 -0.373 30 20 GBED COC(OC)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1803354606 DGSTZOIQHISMPS-CZUORRHYSA-N 375.381 -0.206 30 20 GBED N=C(N)SCC(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1807009680 SHMGCICBZLQTBB-BLLLJJGKSA-N 389.437 -0.198 30 20 GBED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cn1 1833998590 LWNQXHRPCLPEOM-IBGZPJMESA-N 387.392 -0.452 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1835358612 HGNTXHQSIHZCDW-QGZVFWFLSA-N 378.385 -0.459 30 20 GBED CCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838734768 JUJZYHWNJGNDFS-GOSISDBHSA-N 376.413 -0.007 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1839807558 APXOJVVZHGAPLJ-LJQANCHMSA-N 383.408 -0.259 30 20 GBED CN1CCCC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039633 BCADEAHDGGHREM-DNVCBOLYSA-N 393.440 -0.985 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)c[nH]1)CCO2 1840067880 AKRAEDPKVKLWAE-QGZVFWFLSA-N 379.344 -0.688 30 20 GBED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNCP(=O)(O)O 1847807349 AWLYWMSHSAXXRK-KBPBESRZSA-N 389.389 -0.104 30 20 GBED CS(=O)(=O)NCC/N=C(/NC[C@@H]1CCS(=O)(=O)C1)N1CCCCC1 262368954 IFBKHGDVNQIXNY-ZDUSSCGKSA-N 380.536 -0.598 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)c1 264771240 VHAMMKVOSLYONY-ZDUSSCGKSA-N 399.494 -0.261 30 20 GBED COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 275678785 PDOHAGUOAUXVIH-NWDGAFQWSA-N 377.401 -0.027 30 20 GBED CC(=O)N1CCC(C/N=C(/O)N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 330631449 GCGFWBWKGVKXBP-UHFFFAOYSA-N 381.477 -0.172 30 20 GBED C[C@H]1c2nncn2CCN1S(=O)(=O)CCCS(=O)(=O)N(C)CC#N 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20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 509180916 BKAPSUCHLYZXMM-ZFWWWQNUSA-N 395.485 -0.342 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)OCC)[C@H]2CCCOC2)C1=O 511655089 UTLRGKQGMTZHNS-AAEUAGOBSA-N 381.385 -0.562 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)NCC)C2)CC1 514927712 LYKJSVPTVHFGIV-OAHLLOKOSA-N 386.518 -0.317 30 20 GBED Cn1ncc2c(N3CCN(C(=O)C(=O)Nc4cccc(C#N)n4)CC3)ncnc21 516865781 FTEKJKGXEIPANB-UHFFFAOYSA-N 391.395 -0.083 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@]2(O)CN3CCC2CC3)c1 566471569 XNTLBVUIZMGOBK-QGZVFWFLSA-N 378.454 -0.591 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCOC[C@@H]2OCCOC)C1=O 583401401 NFTDOZKXEGNTEM-KKUMJFAQSA-N 383.445 -0.832 30 20 GBED C[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 727007974 JGUZEMYGSHOEHB-IUODEOHRSA-N 386.408 -0.056 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 728570663 JQJAHORELKXKDP-IBGZPJMESA-N 397.523 -0.004 30 20 GBED 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380.368 -0.071 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNCc1ccc(F)c(-c2nn[nH]n2)c1 1588358700 ZVCMCWNRBXPWPP-AAEUAGOBSA-N 376.392 -0.389 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)NC[C@@H]1CNCCO1 1588638549 FNIZAJJUFBUZQD-HNNXBMFYSA-N 385.428 -0.514 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCS(=O)(=O)CCO1 1606336711 IYNOONHLVPGALF-ZDUSSCGKSA-N 376.398 -0.262 30 20 GBED N#CC1(C[C@@H](O)CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)O)CCOCC1 1608175136 QHVVEXBRXXBFDH-XQQFMLRXSA-N 380.401 -0.863 30 20 GBED CC(C)C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)C(=O)N1CC[C@H](N(C)C)C1 1642866475 VROGKSIOEQCPQD-JSGCOSHPSA-N 376.461 -0.066 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1783558536 RGKWQJRUKSJUGH-IBGZPJMESA-N 397.391 -0.651 30 20 GBED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1783887946 YARGWLNSWGPBQU-PIGZYNQJSA-N 378.454 -0.058 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)NCC)C2 1793358150 SWKUEDJBUYCUDQ-DGXTUMSLSA-N 396.488 -0.125 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nccnc2c1 1797056974 ADUPOEJUQYLFQP-HBCWATKFSA-N 394.387 -0.079 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797801618 DZHVZHSXOJHMHK-KPEUIFRASA-N 399.513 -0.854 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)cnc1O)C2 1800775033 VWNREPSKUHQROS-KEODLESXSA-N 393.783 -0.268 30 20 GBED C[C@H](CC(N)=O)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812873533 MCQZQZLTYUHQCP-IAISJRAMSA-N 386.408 -0.313 30 20 GBED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)CN3CCCC3=O)sc2C1 1814601771 SZNYLOCXCBNIOD-JTQLQIEISA-N 390.421 -0.235 30 20 GBED N#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822024664 HMUPHXLGGMRVIM-HNNXBMFYSA-N 392.460 -0.008 30 20 GBED CC(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825671696 MTRUOSVPWBCQLB-PSASIEDQSA-N 378.410 -0.332 30 20 GBED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)C(O)O)CC2)CC1 1834714330 GBFBDUYGZGJLEJ-UHFFFAOYSA-N 395.504 -0.849 30 20 GBED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1839890195 MOZHZPDWHLCQCJ-MRXNPFEDSA-N 389.399 -0.080 30 20 GBED Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)o1 1840160125 XKVFYHYLGLACKI-ZBEGNZNMSA-N 384.458 -0.305 30 20 GBED NC(=O)[C@@H](N)CCC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844300001 FVEVZYFYTNILKJ-OABHHXFQSA-N 395.460 -0.688 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NC2CC2)cc1 24841391 BXHFKQLTLXEAIM-UHFFFAOYSA-N 380.382 -0.632 30 20 GBED C/N=C(/NCCN1CCN(C(C)=O)CC1)N1CCN(C[C@@H]2CCOC2)CC1 261688132 IFONOQNJWVNNIJ-SFHVURJKSA-N 380.537 -0.620 30 20 GBED CC(C)[C@H](/N=C(/O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)N1CCOCC1 329253970 ZOOCXVJSARSZKC-HPCJDURASA-N 393.440 -0.011 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCCS(=O)(=O)N1CC[C@H](O)C1 349595833 YCHJEIROZFITPZ-STQMWFEESA-N 397.544 -0.566 30 20 GBED N#CCNC(=O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 376173746 MRNIKIAAEPADEJ-OAHLLOKOSA-N 378.454 -0.016 30 20 GBED COCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(CCC#N)CCOC 409530701 RREMNMLSJDBWAV-AWEZNQCLSA-N 397.519 -0.381 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)CCO1 409584961 CTINUCVXQYYQTQ-NWDGAFQWSA-N 392.528 -0.594 30 20 GBED CC1(C#N)CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 506013170 RIBJDAMQWQKXCZ-UHFFFAOYSA-N 377.489 -0.385 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCSC[C@@H]1C#N 539329373 GLBFLPRGFMFFDA-PWSUYJOCSA-N 382.467 -0.080 30 20 GBED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)[C@H](C)C1 571910879 PCAWWZDFLHGTNM-CYBMUJFWSA-N 396.473 -0.074 30 20 GBED CN(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 573733908 QMCVOHAAHJFCDI-UHFFFAOYSA-N 396.411 -0.097 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(N)=O)cc1 600763255 KUEDIGKYVIWAPW-ZDUSSCGKSA-N 386.455 -0.531 30 20 GBED CO[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2n[nH]c(C)c2C#N)C1 600766885 NLOYYPQSKRNEKD-XYPYZODXSA-N 391.475 -0.182 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(OC)c(OCC(=O)NC2CC2)c1 658916346 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30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cn(C)c(=O)nc2O)[C@@H]1C 990125096 XOVMVKDFVUFLKS-RFHZTLPTSA-N 376.413 -0.204 30 20 GBED C#CCN1CCC[C@H]1c1nnc(N2CCO[C@H](C(=O)NC)C2)n1CCOC 1122311201 CSZBUNBBSAAEOM-GJZGRUSLSA-N 376.461 -0.354 30 20 GBED COCCN(CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)c1cncc(C#N)n1 1126569048 SDYUUVMJVYNPCI-JLJPHGGASA-N 375.429 -0.031 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)CCO1 1256936515 FZCFUZAFNSQTSP-KRWDZBQOSA-N 399.451 -0.043 30 20 GBED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cnn(C[C@H](O)CO)c2)CC1 1261665650 RFNOWPSAZADRAI-AWEZNQCLSA-N 386.412 -0.064 30 20 GBED Cn1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)n1 1298843574 ZURVVXASLOFWRL-TZMCWYRMSA-N 391.457 -0.309 30 20 GBED C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 1320901345 OQZLAFPNWHBSHW-OAHLLOKOSA-N 385.468 -0.027 30 20 GBED Cc1nccc(CNC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)n1 1321973964 XOQQVCLYBLARLD-GFCCVEGCSA-N 380.412 -0.200 30 20 GBED CC(C)CN(CCN(C)C)C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1322760583 QVAIECBGPDBAHQ-NXVVXOECSA-N 379.461 -0.325 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(N2CCCCC2=O)CC1 1323997625 LVBIVRLGLIYPTB-UHFFFAOYSA-N 385.486 -0.293 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CCc2ccc(C)cc2)CC1 1329731345 LVDFMCIGYSORMR-UHFFFAOYSA-N 385.511 -0.047 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1347639015 CBXFFHJICWOJSX-HRCADAONSA-N 391.449 -0.020 30 20 GBED CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCO1 1349345616 YZKUKINNLQPCRQ-UGSOOPFHSA-N 396.444 -0.384 30 20 GBED COCCNC(=O)[C@@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 1524678248 ZMHAZYBMIRAFHP-ZDUSSCGKSA-N 398.441 -0.869 30 20 GBED C=C[C@@](C)(CC)C(=O)NC1(CCO)CN(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575073124 NGWAGRIPBBNAPZ-KRWDZBQOSA-N 392.460 -0.507 30 20 GBED C[C@]1(C#N)CN(C(=O)CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CCO1 1590057087 YZOXNVXHLIHNSU-HNNXBMFYSA-N 391.413 -0.714 30 20 GBED CN(CCOCCNC(=O)c1c[nH]c(C#N)c1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1591110413 HPHOFBAQYHWYIC-UHFFFAOYSA-N 397.399 -0.087 30 20 GBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1602866865 OSSAREZHWMPWBO-SNVBAGLBSA-N 375.389 -0.911 30 20 GBED N#Cc1ccccc1NC(=O)CCN1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)O 1608220330 WHFDLSKCZXCNPV-JSGCOSHPSA-N 385.380 -0.034 30 20 GBED CCN(CCC#N)C(=O)CN1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1754968999 PFKACTPOEAMECP-FWCYYJLNSA-N 390.484 -0.011 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)CCN4CCOC4=O)C3)C2)CC1 1778157555 REWHOFBDMFPGMR-SFHVURJKSA-N 376.413 -0.038 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2 1781267049 KFFCHJLWKWAJHU-GOSISDBHSA-N 381.429 -0.586 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1781391254 SCCLPEHNHYGYBL-DEYYWGMASA-N 380.445 -0.104 30 20 GBED CC[C@H](C)[C@@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010326 KNMJUSTWLPRAJX-FCZZECIWSA-N 379.457 -0.038 30 20 GBED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@H]4NC(=O)NC4=O)C[C@@H]32)C1 1783459403 LTMKVFCSAJATHV-MHEUCROKSA-N 390.440 -0.470 30 20 GBED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN(C)C(=O)C(=O)O)CCO2 1784202045 YCIOKFMHFYQKSQ-LJQANCHMSA-N 393.440 -0.447 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)OC)C2)C1 1784259323 DWNSJTSJSRLCMB-FZKQIMNGSA-N 383.445 -0.255 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21 1784483488 ZJQWJWIWYPMDLF-QXKUPLGCSA-N 377.441 -0.860 30 20 GBED CNC(=S)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785366116 APCXALYRMZBRAT-SFHVURJKSA-N 393.513 -0.006 30 20 GBED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccncc4=O)[C@H]3C2)CCC1 1790583664 FQPCUQWHADUPIN-JYJNAYRXSA-N 399.451 -0.083 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3F)C[C@@H]21 1791075737 UCPRFNPBFLLTNZ-WHOFXGATSA-N 375.356 -0.098 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ccc3O)C[C@@H]21 1791078124 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C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839719642 GPFXPJGRRMJODP-KXBFYZLASA-N 392.456 0.000 30 20 GBED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839865419 ATHQNNZYNUQRLT-MRXNPFEDSA-N 389.399 -0.080 30 20 GBED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839875470 NFGCNDVHQQMLAA-ACJLOTCBSA-N 380.445 -0.483 30 20 GBED Cc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)s1 1840041064 NJTLNHVOUANUJW-QGZVFWFLSA-N 393.421 -0.390 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](CC)NC(N)=O)C1 1843334780 CBUFQJBITIRDHB-FWWRYZNZSA-N 377.445 -0.505 30 20 GBED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844294061 QTWAKFQBNVLGQD-KRWDZBQOSA-N 381.473 -0.177 30 20 GBED CN(CC(=O)N1CCCC12CN(C(=O)C#Cc1ccccc1)C2)C(=O)C(=O)O 1845809211 DNQMLWHMZLQWTO-UHFFFAOYSA-N 383.404 -0.216 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCCNS(=O)(=O)CC)cc1 51845664 OWWOXQZTMIVZQQ-UHFFFAOYSA-N 396.469 -0.014 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(=O)n(CCN(C)C)c2)C1=O 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COC(=O)[C@H]1CNC(=O)CN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 447922409 OWSYUBWCPZYJLL-CQSZACIVSA-N 382.380 -0.344 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 465467818 QRBDXIWNDJSIGR-KGLIPLIRSA-N 392.485 -0.496 30 20 GBED CN(CC(=O)NCCCN1C(=O)CCC1=O)S(=O)(=O)c1ccc(C#N)cc1 521581509 JOZPRXSKPFKARE-UHFFFAOYSA-N 392.437 -0.166 30 20 GBED N#Cc1ccsc1NC(=O)CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 533517219 DFMIVSRDCCMAIB-CHWSQXEVSA-N 384.483 -0.354 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCNC(C)=O)cc1 578453339 PAEFEORLSBOWGE-UHFFFAOYSA-N 388.471 -0.365 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](c3nn[nH]n3)C2)cc1 583784300 XJSRRKMCHYGUMJ-GFCCVEGCSA-N 375.414 -0.244 30 20 GBED N#Cc1cccc(CNC(=O)CN2C(=O)N[C@@H](CC(=O)N3CCOCC3)C2=O)c1 603614692 QHQSUXQEQOPLJR-HNNXBMFYSA-N 399.407 -0.656 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 609457516 DTFZLYUOGPAABL-ZWKOTPCHSA-N 391.516 -0.141 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CC(NS(C)(=O)=O)C1 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1804185816 KJYRXIJOHLSHPT-CXAGYDPISA-N 384.396 -0.447 30 20 GBED CCS(=O)(=O)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822197462 RAXCOGOYKHWVLD-GFCCVEGCSA-N 396.425 -0.076 30 20 GBED N#CCCC(=O)N1CCC(N2CCC(NC(=O)CC[C@H](N)C(N)=O)CC2)CC1 1834733409 MVPYKZPXOSWNSX-INIZCTEOSA-N 392.504 -0.545 30 20 GBED C[C@@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)C(F)(F)F 1834755700 JBVTZEOOGFHKJG-ZIAGYGMSSA-N 379.335 -0.330 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836347289 DXAXDMWHSNNUOE-MLGOLLRUSA-N 383.474 -0.171 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1836508162 NLWZUTSGBIJYCO-MEBBXXQBSA-N 399.429 -0.294 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3=COCCC3)C2)C1 1840044301 SVAPHZDOHBUQQT-GOSISDBHSA-N 378.381 -0.775 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1840479814 DDIGVJDURYVSNG-RHSMWYFYSA-N 376.417 -0.896 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1 1845809626 CJOHXTVYYSGDMV-GFCCVEGCSA-N 381.429 -0.694 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(C(=O)OC(C)(C)C)=NO2)CC1 280962887 NOKVZTITDNYBJV-HNNXBMFYSA-N 392.456 -0.243 30 20 GBED CCS(=O)(=O)NCCS(=O)(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 292788889 WTINMSPGYOJJPB-CYBMUJFWSA-N 388.471 -0.325 30 20 GBED CC1(C)COCCN1CC/N=C(/O)N1CCN(C(=O)CN2CCOCC2)CC1 328912256 HCZOYHQTQCAJOR-UHFFFAOYSA-N 397.520 -0.512 30 20 GBED C[C@@H]1OCC[C@@H]1/N=C(/O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 328944691 UWHJRHSRBWSHMF-KBPBESRZSA-N 375.495 -0.812 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)C2)c1C#N 349529423 ZMJACOJWFKZLBV-SNVBAGLBSA-N 377.448 -0.882 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 366295209 JHBROSQUDZOTKH-GXFFZTMASA-N 391.413 -0.662 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 409494203 NHIUGUOVGMAJTG-OAHLLOKOSA-N 387.462 -0.597 30 20 GBED CN(C)CCOCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 441833963 LSUBVIGCYHRVOH-UHFFFAOYSA-N 388.403 0.516 30 20 GBED C=CCNc1nnc(S(=O)(=O)CC(=O)N2CCN(C(=O)C3CC3)CC2)s1 492071054 TWFNXINMYNIUHC-UHFFFAOYSA-N 399.498 -0.010 30 20 GBED COC[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1)OC 515671507 MATCFJPNAXHGRX-NWDGAFQWSA-N 391.471 -0.183 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)NCCN3CCNC(=O)C3)C2=O)cc1 542834421 LSHXKJLJFUUQRR-INIZCTEOSA-N 384.440 -0.215 30 20 GBED COCCCNC(=O)CN(C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 558499396 YAWNOXPDBOOCOL-UHFFFAOYSA-N 382.442 -0.552 30 20 GBED CC(=O)N1CCCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)CC1 566485879 GUVZDMJRJUJSEL-UHFFFAOYSA-N 394.519 -0.518 30 20 GBED CC(C)NS(=O)(=O)CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 567285115 OUQAXOKTBBKSTE-UHFFFAOYSA-N 388.471 -0.719 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2COCCO2)cc1 583882737 QVHRKVMJDDYIHJ-LLVKDONJSA-N 375.428 -0.818 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)CC1 588128109 YVXHGIFKOGISRA-SJORKVTESA-N 377.489 -0.150 30 20 GBED COC(=O)[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccnn1C 592949840 ICYUDLXLRXJQML-OAHLLOKOSA-N 391.409 -0.399 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(N2CC[C@@H](O)C2)C1 593854394 JKWLHIABZYIDEV-IUODEOHRSA-N 378.454 -0.498 30 20 GBED C[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 594627958 LSKSYVYEJJANNU-NSHDSACASA-N 386.455 -0.660 30 20 GBED CS(=O)(=O)N1CCN(CCNC(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 610916267 KCIWWENXWMLNIC-UHFFFAOYSA-N 397.432 -0.671 30 20 GBED N#C[C@H](C(=O)Cn1cc(Br)cn1)C(=O)N1CCS(=O)(=O)CC1 732908795 RNDRHWBSJFUVKO-SNVBAGLBSA-N 389.231 -0.389 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)/C=C\c2ccccc2-c2nn[nH]n2)CC1 735380134 CKYYXSHOCURCNT-FPLPWBNLSA-N 379.424 -0.227 30 20 GBED CN1CCC(O)(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 747412802 TVAXRUJMFDXDCS-UHFFFAOYSA-N 380.470 -0.312 30 20 GBED CNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767678838 YKCCWPAXIHNJMN-UWVGGRQHSA-N 382.398 -0.388 30 20 GBED COC(COCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)OC 789913403 QXIMGWAGRIKXLX-GFCCVEGCSA-N 385.442 -0.023 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@@H]1O 964610925 UQFGCVYCFPWUEF-VDERGJSUSA-N 390.440 -0.304 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@@H]1O 964614078 WMECIOJAWNCWIC-NCOADZHNSA-N 376.457 -0.060 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)o2)C1 969242554 CZQGFCJSOJSOHH-OXIQGZBJSA-N 377.397 -0.339 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@@H]2C1 986287434 SWLWWQVXGUNWLO-TWMKSMIVSA-N 391.468 -0.257 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2noc(CCOC)n2)C[C@H]1O 1077016248 HJWGOIKVQZIHLL-TUVASFSCSA-N 380.445 -0.099 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCC1([S@](C)=O)CC1 1117667439 IRKNKIUJFUBRPM-MUDIAHQHSA-N 390.469 -0.587 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC3(CC2)[C@@H](O)C[C@H]3OCC)nn1 1118178363 OFYCZCDCIKTSCY-LSDHHAIUSA-N 377.445 -0.141 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)C1 1118187858 SIXXAAHSQIGZBN-HNNXBMFYSA-N 390.362 -0.219 30 20 GBED C=CCOCc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CC 1121825000 GLKKXVDVIBKNHQ-UHFFFAOYSA-N 392.460 -0.492 30 20 GBED C=CCCOCCNC(=O)C(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 1261134634 CIXGECFORSNVEQ-CYBMUJFWSA-N 379.417 -0.063 30 20 GBED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NCC2(CC#N)CC2)CC1 1261227114 JOEFSDYIZHXBSG-OAHLLOKOSA-N 393.488 -0.518 30 20 GBED C#CCOCCNC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 1322966348 FKFMZGLEGLRZHZ-UHFFFAOYSA-N 379.438 -0.391 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc3c2OCC(=O)N3)CC1 1347351988 PPJSMLCHRDDBKN-UHFFFAOYSA-N 384.392 -0.056 30 20 GBED CCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 1349073533 IWXHVTJBGKYHLX-HZPDHXFCSA-N 397.435 -0.093 30 20 GBED Cc1cc(CN2CCCN(C(=O)C(=O)N3CC[C@@](O)(CC#N)C3)CC2)no1 1349337753 ZJFWULSZCZTLGV-SFHVURJKSA-N 375.429 -0.106 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCn1cncn1 1360684279 MYDKRIZLMGCCLT-RISCZKNCSA-N 397.440 -0.378 30 20 GBED Cn1nc(Br)c2c(=O)n(CC(=O)[C@H](C#N)C(=O)NC3CC3)cnc21 1523834909 NNYAGYJIZNLSFQ-QMMMGPOBSA-N 393.201 -0.120 30 20 GBED N#Cc1cc(C(=O)N2C[C@H]3[C@H](NC(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@H]3C2)c[nH]1 1581864422 UYVYPZORDWVFOV-IMRBUKKESA-N 377.368 -0.105 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@H]2[C@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H]2C1 1588355021 CDGHMRMUUTVRLW-ZRJCITRHSA-N 383.412 -0.333 30 20 GBED C#Cc1cncc(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nn[nH]n3)cn2)c1 1588380855 NSHISYUIPXKXPH-CQSZACIVSA-N 391.395 -0.332 30 20 GBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1588627676 FRMLUIWBZPTWSI-LLVKDONJSA-N 384.443 -0.375 30 20 GBED N#Cc1ncn(CC(=O)N2CCN(C(=O)c3ccco3)CC2)c1-c1nn[nH]n1 1592709443 DWAGUSOQSOPECS-UHFFFAOYSA-N 381.356 -0.488 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)NCCCNc1cnc(-c2nn[nH]n2)cn1 1602862765 IGIQLWTVAQJHOO-UHFFFAOYSA-N 388.436 -0.161 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)s1 1607038041 OHGCOMIVKZXYKU-QBFSEMIESA-N 395.426 -0.267 30 20 GBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)COCCOCCOCCOC)CCO2 1783056319 TWGCHKDLGSUEKL-LJQANCHMSA-N 398.456 -0.854 30 20 GBED CN1N=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)CCC1=O 1784380516 NFZPRGKDVDKOPS-ZOBUZTSGSA-N 386.452 -0.012 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(S(C)(=O)=O)cn3)[C@H]2C1 1785713350 ILXHPZNGXFOIIB-NOLJZWGESA-N 391.449 -0.288 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)c3ccccc3)C[C@@H]21 1791075908 BWGCRBAGEDAYPQ-FPXQBCRKSA-N 386.404 -0.212 30 20 GBED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1791264671 UTARJERHMJBYKO-RFGFWPKPSA-N 380.470 -0.459 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccccc12 1797415724 XQABDFPIPYCRNL-DPIQGUFMSA-N 382.376 -0.146 30 20 GBED COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1797965289 NWGUBMYWXMKNJR-XGUBFFRZSA-N 378.429 -0.969 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncon1 1798346418 SBTQUISFPASJMV-JFOCVIJASA-N 375.385 -0.869 30 20 GBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1800988365 MFYKWVOBKMWKLR-DGADGQDISA-N 384.546 -0.470 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)c1 1811534455 ASNGLPLVCXWTLL-YQQAZPJKSA-N 381.440 -0.113 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)Cn2cncn2)[C@H]1c1cccnc1 1812877779 AFBZSHMMUUSNTR-KDOFPFPSSA-N 382.380 -0.533 30 20 GBED CC(=O)NCCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831221192 HIBPFPIDLFEEAC-LJQANCHMSA-N 377.441 -0.618 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835414166 YAHAOTHWNYAQPZ-CXAGYDPISA-N 385.486 -0.617 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(N)=O)CCO3)C2)CCC1 1839866412 ZVQQAKQIIPCHKS-GOSISDBHSA-N 378.429 -0.598 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H]4CCNC(=O)C4)CCO3)C2)CC1 1840227806 AXXSPXVMNQBDMN-IFXJQAMLSA-N 390.440 -0.727 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccnc2)CC1 29820316 NIPLKPPGHTUEFX-ZDUSSCGKSA-N 381.458 -0.212 30 20 GBED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 57668503 XZCFYNDOQYRJPB-UHFFFAOYSA-N 383.408 -0.245 30 20 GBED COC(=O)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC 268741572 QDTUZDSZORWGBS-GWCFXTLKSA-N 397.409 -0.554 30 20 GBED CCN1CCN(C[C@H](C)C/N=C(/O)N2CCN(S(C)(=O)=O)CC2)CC1 329776811 OMSBVPVITGTLEH-OAHLLOKOSA-N 375.539 -0.249 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 349487936 DKGDYHVAVNLFBB-IHRRRGAJSA-N 393.531 -0.027 30 20 GBED C[C@@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 349622649 VZFCNAQFUVEWLO-NWDGAFQWSA-N 380.517 -0.131 30 20 GBED CC#CCNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 430262067 LCNRUMGZRLNWLL-ZDUSSCGKSA-N 395.437 -0.490 30 20 GBED CC#CCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1 435054288 BKUKCDKMIQOWED-ZDUSSCGKSA-N 395.437 -0.160 30 20 GBED Cc1cc(=NC(=O)CN2CCN(C(=O)CN=c3ccc(C#N)c[nH]3)CC2)[nH]o1 498070228 RXTGPMUUUHZIBW-UHFFFAOYSA-N 383.412 -0.712 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)C(C)(C)C1=O 577650187 HJUNLTFSEDXHMI-UHFFFAOYSA-N 394.519 -0.520 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H](C#N)CO)o1 597743961 KMBRSAZQRMTSEK-WDEREUQCSA-N 385.398 -0.390 30 20 GBED N#CCCN1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCC[C@@H]3O)CC2)CC1 602257908 FPOVFJIYAYBOTR-SJORKVTESA-N 377.489 -0.462 30 20 GBED Cc1ccc(C(=O)N(C)CC(=O)N2CCOCC2)cc1S(=O)(=O)NCC#N 609411788 UACASSPVCBSHAC-UHFFFAOYSA-N 394.453 -0.272 30 20 GBED Cn1c(=O)c(C(=O)CN2CC[C@@](O)(CC#N)C2)c(N)n(Cc2ccccc2)c1=O 646032018 UUWDFFVIQKKXEU-FQEVSTJZSA-N 397.435 -0.289 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Cn2c(=O)n(CC)c3ccccc32)CC1 728533075 UVGJFXYUPIUAHA-UHFFFAOYSA-N 383.452 -0.284 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 735432097 MIHLZCGWLMSRQL-UHFFFAOYSA-N 387.356 -0.849 30 20 GBED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](COC)C(N)=O 760075635 HYQHDNWIKKUDOJ-QWHCGFSZSA-N 396.469 -0.100 30 20 GBED C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1O 768428207 LNUGARSMVKABLN-UHFFFAOYSA-N 376.456 -0.027 30 20 GBED C[C@@H](OC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)NC1(C#N)CCC1 803862882 XZLYHVZXNRCVCB-SECBINFHSA-N 382.398 -0.651 30 20 GBED COc1ccccc1N(CCC(N)=O)C(=O)Cn1cnc(C#N)c1-c1nn[nH]n1 826220370 LTBXINBVCRLYEW-UHFFFAOYSA-N 395.383 -0.148 30 20 GBED C#C[C@@H](CC)NS(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 848962896 BQJUYDJTMHDEHJ-QWHCGFSZSA-N 379.529 -0.022 30 20 GBED C=CCn1cc(C(=O)N2CC3(C2)CN(C(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@@H]42)CCO3)nn1 965433586 CIVIWLKCZAGEAE-VUBIOHBQSA-N 399.451 -0.059 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ncccc2NC(C)=O)C1 967139095 XWFYBOYVCXDURG-OJLVUWQFSA-N 388.424 -0.067 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1C(=O)CN(C)C1=O 1000562879 FUTFLHXOXPZASB-MRLBHPIUSA-N 390.440 -0.280 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CN3CCC(=O)NC3=O)C[C@H]21 1022750195 RQHNCKAZFOABIA-YJNKXOJESA-N 390.440 -0.421 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2c(C)ncnc2O)C[C@H]1O 1025709419 NQIPBYRIGZSFRR-FPCVCCKLSA-N 390.440 -0.298 30 20 GBED CN1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(C#N)n2)S1(=O)=O 1055223718 QDTAVWLNHFPHSK-MROQNXINSA-N 376.442 -0.392 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NCC2(CS(C)(=O)=O)CC2)n1 1117538002 ROTYMNYPXXFXBD-UHFFFAOYSA-N 380.470 -0.194 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCCNS(=O)(=O)c2cccs2)nn1 1118175889 IFALMCJWWJCKEU-UHFFFAOYSA-N 398.470 -0.764 30 20 GBED Cn1cc(N2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2=O)cn1 1252629557 RKTQNYCBHBKRJT-FOCLMDBBSA-N 387.400 -0.695 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CCO1 1261306139 RNZWZJYELKHHAW-INIZCTEOSA-N 385.424 -0.480 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)CC1 1261312366 QDBXSHTTXXHLSM-OAHLLOKOSA-N 389.387 -0.941 30 20 GBED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H](OCCO)C3)C2)nc1 1325176488 CVCFVPGJVOIPNY-JKSUJKDBSA-N 388.424 -0.067 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ncn(CC(=O)OCC)n2)C1=O 1326680326 UJVNJTZRGHPOAU-LLVKDONJSA-N 378.389 -0.975 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCc2ccc3c(c2)CCS3(=O)=O)C1 1326909963 XWCKNUVNPQSGNL-KRWDZBQOSA-N 377.422 -0.490 30 20 GBED CC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1328600785 IDTNMQFVJRHYBD-WBVHZDCISA-N 397.435 -0.093 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCc1ccnn1C 1329444406 COTUZYYNEVTDSG-CYBMUJFWSA-N 382.428 -0.522 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1330238504 AHFBGFRPUUGKRQ-JKSUJKDBSA-N 394.472 -0.320 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCN2C(=O)OC[C@H]2C1 1333041626 MWNMCDCUYPYZBQ-NWDGAFQWSA-N 394.475 -0.936 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)n(CCC#N)n1 1334476544 SUCAWHWJESGVED-CYBMUJFWSA-N 396.473 -0.169 30 20 GBED C#CCN1CCC[C@H](NC(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)C1 1337015533 FOXGSJGIRIQMCN-GJZGRUSLSA-N 384.502 -0.581 30 20 GBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(C(COC)COC)CC1 1337994603 CIABOWDZTLCMNG-AWEZNQCLSA-N 378.477 -0.149 30 20 GBED C#CCN1CCCC[C@H]1c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1C 1338528756 DSYSRLHJDLBHHP-INIZCTEOSA-N 399.499 -0.098 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 1346262437 HEZJFKJASATSPD-GJZGRUSLSA-N 387.502 -0.081 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCOCC2(CCC2)C1 1346277902 SCLSSYLGMBYSLF-CCEZHUSRSA-N 376.413 -0.342 30 20 GBED C=CCN1CC[C@H](N[C@H]2C[C@@H](NC(=O)[C@@H]3CCCN3Cc3cnn[nH]3)C2)C1=O 1575103529 FPAGBQQSYQGTIH-FSDCSDTHSA-N 387.488 -0.207 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@]2(O)CCN(c3ccncc3-c3nn[nH]n3)C2)c1 1581862513 DSZAUTQLVHSULI-KRWDZBQOSA-N 379.384 -0.167 30 20 GBED C=CCNC(=O)NC(=O)CN[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588658563 PVRHEBQGEYATOY-PHIMTYICSA-N 387.404 -0.943 30 20 GBED CC(=O)NC[C@@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)CCO1 1588858519 XKOBDILGJNDLON-HZPDHXFCSA-N 383.412 -0.088 30 20 GBED C[C@@]1(CNC(=O)CSCC#N)CN(c2ccc(-c3nn[nH]n3)nn2)CCO1 1590126624 DMIOKHCOOBSRAO-OAHLLOKOSA-N 389.445 -0.375 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)c(C(=O)O)c1 1601111542 AEXUMUOBNJSRRO-OCCSQVGLSA-N 379.394 -0.075 30 20 GBED COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(F)c1C#N 1665947583 XFZCYLUBLYXWGK-NSHDSACASA-N 376.387 -0.342 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1781397337 BLFZUXNFRCKFPV-HBUWYVDXSA-N 380.445 -0.247 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783165391 QSPROJBVVBNANK-KUHUBIRLSA-N 393.440 -0.538 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783892208 BHKNNHVCBPVYKR-UEKVPHQBSA-N 375.447 -0.801 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)n[nH]3)C[C@@H]21 1784479790 IMAUQOCIXKEUTK-ABHRYQDASA-N 376.413 -0.253 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785365153 NVOYVGTVXAMXBT-ACJLOTCBSA-N 377.445 -0.043 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)n(C)n3)[C@H]2C1 1785589908 DNNMLUXZLDPQRK-YXWQFLTLSA-N 390.440 -0.243 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]nc4ncccc34)C[C@@H]21 1791075733 SKGPKHXAMNDGPG-UBHSHLNASA-N 397.391 -0.361 30 20 GBED CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]2C1 1791261943 MMKMAFJFMDGECY-DGTMBMJNSA-N 386.518 -0.008 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)ON=C(C)C)C2 1796321769 ZLWBXJKPJQCNRL-UXXRCYHCSA-N 397.476 -0.176 30 20 GBED C[C@H](C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1)n1cnnn1 1813472017 HDOYOFUNIZVAFE-SUYBPPKGSA-N 397.395 -0.577 30 20 GBED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1831465588 GQNWSOLUPOQGRF-FQEVSTJZSA-N 391.468 -0.229 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1840160899 XHNJTYFUCONMKM-MGPLVRAMSA-N 398.441 -0.724 30 20 GBED O=C(CN1C(=O)CNC1=O)N1CC2(CCCN2C(=O)C#Cc2ccccc2)C1 1842729910 MULDBRNMCXPNEE-UHFFFAOYSA-N 380.404 -0.207 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCNC(=S)NC 1847261681 BYKKFZMBMHIORI-MRYXHSKJSA-N 393.513 -0.469 30 20 GBED C=CCNC(=O)[C@@H](C)OC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 7931737 XNMGQQXTJHZCCV-GFCCVEGCSA-N 397.453 -0.099 30 20 GBED COC(=O)CN(CC(=O)OC)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 67380460 ARCSZUXILXXEBR-UHFFFAOYSA-N 393.400 -0.849 30 20 GBED N#C[C@@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCO1 264444240 BCXXPJYJGQDXJF-SNVBAGLBSA-N 383.386 -0.205 30 20 GBED O=C(C#Cc1ccccc1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 266966179 AGDXFUSOEPFIKQ-INIZCTEOSA-N 396.490 -0.301 30 20 GBED Cc1nc2nc(N)nn2c(C)c1CC(=O)N(CCC#N)CCN1CCOCC1 267207327 ROYCHJDUAJWQJI-UHFFFAOYSA-N 386.460 -0.060 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCCN1CCN(c2ncccn2)CC1 282870631 PBDHCZUOFQHBLJ-HNNXBMFYSA-N 381.506 -0.085 30 20 GBED O=C(C/N=C(/O)CN1CCN(S(=O)(=O)Cc2ccon2)CC1)N1CCCC1 329787661 YWNFYTUWSUEMBM-UHFFFAOYSA-N 399.473 -0.299 30 20 GBED O=C(C1CCC1)N1CCN(CC/N=C(/O)N2CCN3CCOC[C@@H]3C2)CC1 329858687 WEUNAUFJCXLFQU-KRWDZBQOSA-N 379.505 -0.139 30 20 GBED C[C@H](C/N=C(/O)N1CCC[C@@H](n2cnc(C(N)=O)n2)C1)CN1CCOCC1 330336735 SRQIYJYFJALYEW-ZIAGYGMSSA-N 379.465 -0.104 30 20 GBED CN([C@@H]1CCNC1=O)S(=O)(=O)CCCS(=O)(=O)N[C@]1(C#N)CC1(C)C 349467418 SDNRCVPUSSWLLG-RISCZKNCSA-N 392.503 -0.862 30 20 GBED C[C@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(C#N)cn1 349481407 ZWLOQBMKMKQNBE-LLVKDONJSA-N 376.460 -0.273 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C1(C)C 349525331 RCWPWVQRSRRSCY-NSHDSACASA-N 380.492 -0.910 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)CN1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 372792595 GPMHPHRPZPEZAB-QGZVFWFLSA-N 377.449 -0.997 30 20 GBED N#Cc1ccccc1N1CCCN(C(=O)C(=O)NCCN2CCNCC2)CC1 419846874 AMVFPJFPZPDMHC-UHFFFAOYSA-N 384.484 -0.382 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCn2c(O)nnc2C1 438450817 GLBROIKCNVFGQL-JTQLQIEISA-N 376.398 -0.435 30 20 GBED C=CCOC[C@H](NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)OC 481749324 MPYQCDWHVQSORE-HPYVJYLESA-N 380.397 -0.601 30 20 GBED CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)O1 527842333 JNFRYAWTKZEWAH-CHWSQXEVSA-N 390.400 -0.977 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)OCC)C2CCOCC2)C1=O 534019191 JNBKKXKJLNCCKW-CYBMUJFWSA-N 381.385 -0.562 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCNC(=O)c2cnccn2)n1 540268889 FHBQKAZLHIHUTN-UHFFFAOYSA-N 384.400 -0.216 30 20 GBED CN(CC(=O)N1CCOC[C@@H]1c1nc[nH]n1)S(=O)(=O)c1ccc(C#N)cc1 556587246 RMJVHYVUKAZKKI-CQSZACIVSA-N 390.425 -0.103 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 596748288 KWNRCOGIDFCNJK-MELADBBJSA-N 380.426 -0.072 30 20 GBED CCOC(=O)c1c(NC(=O)C(=O)N[C@H]2C[C@H](C(N)=O)C2)c(C#N)cn1CC 600036458 MLHRAPSRTBHAJS-HOMQSWHASA-N 375.385 -0.125 30 20 GBED C[C@@H](CN1CCN(C)CC1)NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 609311803 XFCGUZPJQGKJJX-HNNXBMFYSA-N 393.513 -0.069 30 20 GBED C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 658448777 KDVGWQZJNGQLTD-QGZVFWFLSA-N 392.500 -0.196 30 20 GBED C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669806366 GYWIOIAKCBJUOT-UHFFFAOYSA-N 380.478 -0.207 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)Cn2cnc3c(C)cccc3c2=O)CC1 729256568 BQYRSEJNPQBGKV-UHFFFAOYSA-N 395.463 -0.011 30 20 GBED C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCNC1=O 729382930 PYCCYWCANRWDNP-JTQLQIEISA-N 380.382 -0.680 30 20 GBED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)C(N)=O 788209757 RRAAJAGDFMLQGH-RYUDHWBXSA-N 382.442 -0.754 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)OCCn2cc(C(N)=O)nn2)cc1 805944259 SMYSRZCGPIBNPL-UHFFFAOYSA-N 377.382 -0.855 30 20 GBED C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1CC(=O)N[C@](C)(C#N)C1CC1 820788924 RKFJLEFDDAFAML-KZULUSFZSA-N 396.459 -0.024 30 20 GBED O=C(CN1CCS(=O)(=O)CC1)OCC#CCN1C(=O)c2ccccc2C1=O 859501163 FLZBSBPXDUJYGJ-UHFFFAOYSA-N 390.417 -0.440 30 20 GBED CCOC(=O)c1c(S(=O)(=O)NCCn2cc(C#N)c(O)nc2=O)n[nH]c1C 912552676 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CJDOXTKXXISHQL-QGZVFWFLSA-N 385.468 -0.029 30 20 GBED O=S(=O)(N1CCOCC1)N1CCN(/C(O)=N/[C@@H]2CCCOCC2)CC1 329271835 JLHHVWALYOVDOP-CQSZACIVSA-N 376.479 -0.336 30 20 GBED CCN1CCN([C@H](C)C/N=C(/O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 329286157 OPRBVGMFCLSFQI-CYBMUJFWSA-N 388.472 -0.037 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](O)C12CCCC2 349461966 ANOBRXWIFVKNTJ-ZDUSSCGKSA-N 379.504 -0.129 30 20 GBED CC[C@@H]1CN(C)CCCN1S(=O)(=O)CCCS(=O)(=O)N(C)CC#N 349476952 HVUOLKIUYQRBQI-CQSZACIVSA-N 380.536 -0.092 30 20 GBED CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N[C@@H](C)C1 349501806 NLYUCPCXXGCTKC-RYUDHWBXSA-N 380.492 -0.910 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)CC1(C)C 349502476 ODCSCOKTDNVQPB-CYBMUJFWSA-N 380.536 -0.094 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 349546558 DSTUXCZNUVDOIM-YNEHKIRRSA-N 377.488 -0.304 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CCO1 409491416 OZKOSZKGGYKHDZ-IAGOWNOFSA-N 380.470 -0.188 30 20 GBED CN(C)S(=O)(=O)c1cccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)c1 409506274 BYIOESNLNIBOJS-CYBMUJFWSA-N 388.471 -0.504 30 20 GBED C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)[C@H](C)C#N)CC2)C[C@@H](C)O1 416377047 WTFDHNISVIAZON-JHJVBQTASA-N 380.492 -0.800 30 20 GBED CC(=O)N[C@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 422148463 XTKKYUTWJBYDJB-ZWKOTPCHSA-N 383.452 -0.040 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCNC(=O)[C@H]1C(C)C 439389576 VBUJMFMYEWGTPS-OAHLLOKOSA-N 395.423 0.369 30 20 GBED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCCOc1ccc(C#N)cc1 469621072 LHZDWCCRTJNERY-UHFFFAOYSA-N 396.469 -0.113 30 20 GBED COC(=O)[C@]1(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCOC1 482863205 ZEKLOCHGGPJHNT-ZBEGNZNMSA-N 381.410 -0.327 30 20 GBED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(C)cnn2C)c1=O 505636376 LNXZIVZTHLFSPI-UHFFFAOYSA-N 387.465 -0.597 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 533056989 BNAGYZMHVQBSGO-QSJFSLAZSA-N 386.518 -0.483 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1)c1ncn(C)n1 563420183 ODOOOVIYMNASJK-LLVKDONJSA-N 398.470 -0.001 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1COCCO1 566488015 HSXLJIMRQXEZMU-RYUDHWBXSA-N 389.455 -0.429 30 20 GBED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 580199785 ADNTULWHTFXYAJ-HIFRSBDPSA-N 381.410 -0.639 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)[C@H]3CCCN(S(N)(=O)=O)C3)CC2)nc1 597107285 GNBOGMXJJQVTLK-AWEZNQCLSA-N 392.485 -0.046 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)Nc1ccn(C)n1 597572784 RNKPLFVIVVQOBL-NSHDSACASA-N 390.425 -0.287 30 20 GBED N#CCCN1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCC[C@H]3O)CC2)CC1 602257906 FPOVFJIYAYBOTR-IAGOWNOFSA-N 377.489 -0.462 30 20 GBED N#CCN1CCC(NC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 609547054 OKIRKKZKMLHBPA-HNNXBMFYSA-N 387.506 -0.238 30 20 GBED C[C@H](C#N)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611643491 PSGOEVRDSZWLLL-MDZLAQPJSA-N 382.398 -0.005 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)C3CC3)CC2)c1=O 732463368 INSXTZQMWCEQKK-UHFFFAOYSA-N 375.429 -0.945 30 20 GBED N#C[C@H](C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)N1CCS(=O)(=O)CC1 732909076 XSFCYGPKKDHZNJ-GXTWGEPZSA-N 393.421 -0.406 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 759020769 MEVPZHCWVQFDCY-UHFFFAOYSA-N 380.426 -0.208 30 20 GBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 844110675 NGBTUCUFIKEPHU-GHMZBOCLSA-N 381.410 -0.893 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(O)C2=O)cc1 848137717 IKUNDBFEOIIFMC-ZDUSSCGKSA-N 384.414 -0.580 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 875600068 OYCIJIIUDCKQOX-INIZCTEOSA-N 378.473 -0.702 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)[C@@H]2C1 1022771101 VNHRQPPMLLDOHD-YJNKXOJESA-N 390.440 -0.469 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1043250684 CZDFCFFXDUWOOL-CTASWTNQSA-N 379.457 -0.428 30 20 GBED C#CCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)CCC1 1044667108 PJWDVUJCYGNEST-HRCADAONSA-N 376.453 -0.079 30 20 GBED C=CCn1c(CS(C)(=O)=O)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1121605622 FXXIECHSMLRNPU-UHFFFAOYSA-N 398.533 -0.001 30 20 GBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 1219822658 RQHLEVJYLVBWFK-NCOADZHNSA-N 392.500 -0.369 30 20 GBED Cn1ccnc1[C@@](O)(CCNC(=O)C(=O)N1CCO[C@H](C#N)C1)C(F)(F)F 1321698623 RJZBVMBUOBRDGG-YGRLFVJLSA-N 389.334 -0.573 30 20 GBED CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)C(=O)NCC#Cc2ccccc2)C1=O 1327227040 SSPQIEZWEQEWIE-MGPUTAFESA-N 382.420 -0.009 30 20 GBED C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 1327596249 OSVJPISWXVVLMX-GOSISDBHSA-N 391.516 -0.436 30 20 GBED CN(CCCNC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1)S(C)(=O)=O 1328145494 MJBCTCGICGUCLI-UHFFFAOYSA-N 394.453 -0.454 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1 1328863777 FCIPRHIETTZTEZ-GXTWGEPZSA-N 394.439 -0.218 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 1331244866 GCTZOCPNGORMNC-KGLIPLIRSA-N 382.442 -0.001 30 20 GBED N#Cc1ccc(N2CCN(C(=O)c3nc(N)nc(N4CCOCC4)n3)CC2)nc1 1347718948 XGJSNKFOGAZHSF-UHFFFAOYSA-N 395.427 -0.481 30 20 GBED N#Cc1cn(CCC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c(=O)nc1O 1463656998 IRYQNOSXKUDQOI-CYBMUJFWSA-N 375.385 -0.940 30 20 GBED N#Cc1cn(CC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)c(=O)nc1O 1540643623 ZJTKRTYGDJGGND-UHFFFAOYSA-N 396.407 -0.397 30 20 GBED C=CCOCC(=O)N1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H](C)CC(N)=O)CC1 1575108165 GXSBYEMGBJXTPS-ZDUSSCGKSA-N 392.460 -0.162 30 20 GBED C[C@H](NC(=O)C#CC1CC1)[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1575249527 YVBMLHCLWBMPMM-NHYWBVRUSA-N 383.412 -0.046 30 20 GBED N#Cc1ccc(F)c(C(=O)N2CC(n3cc(-c4nn[nH]n4)c(O)nc3=O)C2)c1 1581872193 OOWNTZRAFGFNHR-UHFFFAOYSA-N 382.315 -0.163 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1C 1588351370 QQDDIISGORTRMS-YUELXQCFSA-N 381.444 -0.305 30 20 GBED C#CCO[C@@H](C)C(=O)NC1(CO)CCN(c2nccnc2-c2nn[nH]n2)CC1 1588355230 GEPDFOQXZCYEEW-LBPRGKRZSA-N 386.416 -0.858 30 20 GBED C[C@H](C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)O)n1cnc(C#N)n1 1588546629 CCCKNGIHXHEZGJ-WEDXCCLWSA-N 388.306 -0.167 30 20 GBED CCc1nc(-c2nn[nH]n2)cc(N2CC[C@@](O)(CNC(=O)C#CC(C)C)C2)n1 1590905743 ASOPGRZHTQDHEG-GOSISDBHSA-N 384.444 -0.064 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCC[C@](CO)(Nc2cnc(-c3nn[nH]n3)cn2)C1 1602725544 KVOAAUNYDMHWME-SJCJKPOMSA-N 386.416 -0.540 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1=O 1602862159 FBAQZUIBXBORBT-CQSZACIVSA-N 383.412 -0.158 30 20 GBED CS(=O)(=O)CCN1CCC(NC(=O)N2CCC(C#N)(C(=O)O)CC2)CC1 1607370897 WIFISAWCQUMRLI-UHFFFAOYSA-N 386.474 -0.105 30 20 GBED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H](O)C[C@H]2C(=O)O)CC1 1608173077 AZSILEWCJRSEIV-MELADBBJSA-N 378.454 -0.023 30 20 GBED N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCC(=O)N2CCOCC2)CCO1 1770749505 ZKYMUEWBLOZZKW-LSDHHAIUSA-N 390.444 -0.240 30 20 GBED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)c1 1781046792 WXJFEPMLCIFTHE-ZWOKBUDYSA-N 384.436 -0.275 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CC(N)=O)C[C@@H]21 1784477818 NYYPPSZOCKWVMW-QXKUPLGCSA-N 379.457 -0.484 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21 1784482346 JTFHVPZDCGGRSY-UGUYLWEFSA-N 375.429 -0.704 30 20 GBED COC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785366920 QHFIUBAQPTUCGQ-HNAYVOBHSA-N 392.456 -0.339 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NNC(=O)C4)C[C@@H]32)c1 1789344697 SYCVQBNROMOCQR-HUBLWGQQSA-N 384.396 -0.644 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](S)C(C)C 1793381532 XEYMTDCPLUZBQP-ITGHMWBKSA-N 386.518 -0.023 30 20 GBED Cc1cc(C(=O)NCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)no1 1798511112 FKYGTZSPKRAWGP-CLLJXQQHSA-N 388.380 -0.561 30 20 GBED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1801164447 QFSIPGWZRJBBJH-ZSBFGKGUSA-N 390.440 -0.679 30 20 GBED CN(CC(=O)NC[C@@H]1CCN(C(=O)CC#N)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812389384 CVOBGOBLFFEZCR-XJKSGUPXSA-N 387.396 -0.456 30 20 GBED CC[C@@H](NC(N)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1817024774 QQZVUOBFEDCDLT-RKDXNWHRSA-N 393.425 -0.410 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1832456476 RESVIIQOTVCLIR-QGZVFWFLSA-N 396.469 -0.762 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4csnn4)C3)C2)CC1 1835338776 SDJOAPCNDLTZTJ-MRXNPFEDSA-N 377.426 -0.088 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(=O)C3)C2)C1 1837405571 VKMRWAQPJLQNOP-UZLBHIALSA-N 394.468 -0.005 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2 1840183329 YNVIDWLXRPIAOP-OALUTQOASA-N 396.440 -0.528 30 20 GBED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)n1cnnn1 1840473230 KPXHIEUZMDQRSL-GUYCJALGSA-N 391.432 -0.760 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1840844678 HRGOCBZPLBBPTR-WMLDXEAASA-N 376.417 -0.896 30 20 GBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1ccc3c(n1)NC(=O)CC3)C2 1846195358 GOBWIJNBHDGTHE-UHFFFAOYSA-N 382.376 -0.129 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1=O 21593311 YVYAPKXGFBYFKR-UHFFFAOYSA-N 391.334 -0.065 30 20 GBED CCN1CCN(CC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C(=O)C1=O 66768357 ZCFYMPBDHVNZAZ-UHFFFAOYSA-N 384.440 -0.271 30 20 GBED C/N=C(/NCCC(=O)N1CCOCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 262578827 PPSBGUCKCDUPQZ-HNNXBMFYSA-N 381.477 -0.866 30 20 GBED C[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 268894556 ZMYGGEUGLBGOLK-NWDGAFQWSA-N 385.467 -0.129 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 270783700 APOGWXIVJCGJTG-QWHCGFSZSA-N 394.453 -0.723 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)CNS(=O)(=O)c1cccnc1 289979769 GLRHRLZIHDEJSY-UHFFFAOYSA-N 381.458 -0.566 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[C@](COC)(C(=O)OC)C2)C1=O 297648292 AZEZNBFAIVVLFU-UGSOOPFHSA-N 381.429 -0.730 30 20 GBED C[C@H](/C(O)=N/[C@@H]1CCS(=O)(=O)C1)N1CCC[C@](O)(C(=O)N2CCCC2)C1 329135342 QNYFJLPVPLRGPI-CKEIUWERSA-N 387.502 -0.032 30 20 GBED N#CC1(CS(=O)(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 329641558 XUCATIJUQRZLSD-ZDUSSCGKSA-N 377.488 -0.254 30 20 GBED CN(C)S(=O)(=O)c1cccc(/C(O)=N/CC(=O)N2CCS(=O)CC2)c1 330647131 FPMKJURICOKMDD-UHFFFAOYSA-N 387.483 -0.168 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O 349465859 YMUGNFCPVGQFNP-YNEHKIRRSA-N 392.503 -0.923 30 20 GBED COCCCS(=O)(=O)N1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 409504073 XJULQSHQMXNMQF-ZDUSSCGKSA-N 382.508 -0.693 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 442026247 GAWNBBFRFPGAJC-ZDUSSCGKSA-N 385.380 -0.697 30 20 GBED Cc1nc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)ccc1C#N 453661373 AYHZMUWPWXBOBG-OAHLLOKOSA-N 384.440 -0.035 30 20 GBED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)n1 513037030 RBSYUHMTXJOYOL-ZDUSSCGKSA-N 386.343 -0.466 30 20 GBED N#Cc1ccc(S(=O)(=O)CCN2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@H](O)[C@H]32)nc1 519651888 NNZQZPBEWXTPAC-KTROUZAKSA-N 375.450 -0.213 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 540789370 VRXLJIRJFBHHFG-UHFFFAOYSA-N 394.453 -0.172 30 20 GBED COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(C#N)CC2)cc1 555688999 CAWUDTVEMRLIJC-UHFFFAOYSA-N 380.426 -0.030 30 20 GBED CN1CC[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)C1=O 571537577 KQBAIPCXOLOYTP-NSHDSACASA-N 386.455 -0.660 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@]1(O)CN2CCC1CC2 571775037 PAJNUTDXVBUMQB-SCLBCKFNSA-N 392.481 -0.202 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(C)C2=O)cc1 575137593 APSJORHENBMJBH-GXFFZTMASA-N 386.455 -0.614 30 20 GBED CCOC(=O)Cn1cnc(=NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)[nH]1 584049868 YIZKWJWGYJDXCO-UHFFFAOYSA-N 375.393 -0.463 30 20 GBED CN1CCN(C(=O)CN(C)C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 604060350 ZSROUEZSDBZJKH-UHFFFAOYSA-N 392.481 -0.295 30 20 GBED N#CCc1cccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 619474988 ZVMARXIYCRHMEA-UHFFFAOYSA-N 392.481 -0.082 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)CC1 672355815 MQWZHFSRRAMNRW-HNNXBMFYSA-N 386.518 -0.318 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)NCc2ccc(F)cc2)CC1 728532985 PYOOAYLGLRTRSP-UHFFFAOYSA-N 389.431 -0.482 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)CC1 728533187 XKISVWVSNAKEKH-UHFFFAOYSA-N 381.440 -0.458 30 20 GBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)CC1 728571026 UKDMUVNBOYARDI-IAGOWNOFSA-N 392.500 -0.456 30 20 GBED Cn1c(=O)c2cc(C(=O)OCC(=O)N[C@](C)(C#N)C3CC3)cnc2n(C)c1=O 746943224 SHXLNPOKQLCWMT-GOSISDBHSA-N 385.380 -0.403 30 20 GBED COC(=O)c1cccc(COC(=O)Cn2cc(S(N)(=O)=O)cn2)c1C#N 756188548 ZEEUHJMBQZHUQY-UHFFFAOYSA-N 378.366 -0.068 30 20 GBED C=Cn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)cn1 772313690 NDFIRPMNVSBJCF-UHFFFAOYSA-N 385.449 -0.190 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(-n3cnnn3)c2)CC1 781632016 VGHKSWGXYFKJDP-UHFFFAOYSA-N 383.412 -0.822 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)N(CC)CC)CC1)[C@@H]1CCCO1 809304973 ULCFKOKMPKHKMA-CVEARBPZSA-N 378.473 -0.704 30 20 GBED C#C[C@H](NC(=O)C(=O)N1C[C@H](C(=O)NCCOC)CC[C@H]1C)[C@@H]1CCCO1 809305271 APSNHZKGIGASPP-WCVJEAGWSA-N 379.457 -0.327 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CCCO1 809314123 YFLNOSIKKGLUTA-CVEARBPZSA-N 376.457 -0.950 30 20 GBED C#CCCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 810786472 KDDISUYFOZKHJW-UHFFFAOYSA-N 391.496 -0.165 30 20 GBED C#Cc1ccccc1CC(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 811259679 FVZWXOCETPKUTD-CQSZACIVSA-N 378.406 -0.234 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2cccc(-c3nn[nH]n3)c2)C1=O 823919723 OKRUKPYVFNZAED-UHFFFAOYSA-N 398.335 -0.431 30 20 GBED C[C@H](CC(=O)N1CCC(O)(C(=O)O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 833514753 ZUUZLRKCEIFTKL-LLVKDONJSA-N 395.437 -0.058 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2CCN(C)[C@H]2C1 848956813 CBOFDXZVFADTJQ-CABCVRRESA-N 388.515 -0.869 30 20 GBED C#CC[C@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 854547160 BBJFLVLVBFGUTQ-NFAWXSAZSA-N 386.857 -0.036 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)NCC(=O)OC)cc1 858005530 PGXGHGGXECZEBR-LLVKDONJSA-N 382.394 -0.567 30 20 GBED CN(CCOCCNC(=O)OC(C)(C)C)S(=O)(=O)N1CCO[C@H](C#N)C1 859350822 XVFRGGBSODFJQO-CYBMUJFWSA-N 392.478 -0.071 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)CC1 872515235 JLLUHWYMFQWEPQ-UHFFFAOYSA-N 397.400 -0.122 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 894514206 FUXBUNOHIUCWSI-OAHLLOKOSA-N 385.534 -0.098 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCc1nc(O)c2cnn(C)c2n1 900701891 UJEWNEATKWSVAN-VIFPVBQESA-N 376.373 -0.055 30 20 GBED C#CC1(O)CN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 934444041 UUZHYHVSPDQRCT-UHFFFAOYSA-N 393.465 -0.366 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1n1ccnn1 990963180 NYRWWLKBNYRGGE-VDERGJSUSA-N 385.428 -0.215 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1C 994642615 NBNSSUCFAHAVTN-TUVASFSCSA-N 390.440 -0.249 30 20 GBED COCC#CCN1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@@H]2CS(=O)(=O)C[C@@H]21 1108478291 MSUXWDZORPAWFM-NNPSNHGLSA-N 396.509 -0.239 30 20 GBED CC(C)C[C@@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CCNC1=O 1110687286 GYVBBNZYLUNHEF-CUYVQJCZSA-N 375.473 -0.100 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1111019595 FYTGHDNQQBHDOI-LJIZCISZSA-N 378.473 -0.354 30 20 GBED C[C@@H](CC#N)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 1116710690 KGOUAGXDEJXXRL-RWMBFGLXSA-N 376.417 -0.124 30 20 GBED CCN(CCC#N)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1228575697 QEJBROHVIRMQIK-LVQVYYBASA-N 393.488 -0.202 30 20 GBED COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1318069142 ODQQVVZCIIFKBJ-DZGCQCFKSA-N 384.392 -0.199 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1)[C@@H]1CCCO1 1321208241 HMNJIMJTMGIKPN-GJZGRUSLSA-N 386.408 -0.602 30 20 GBED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H](C(N)=O)c1ccc(C#N)cc1 1323164470 LUZPRCQHXMOOHP-ZBFHGGJFSA-N 378.454 -0.290 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 1324202042 DGKPJTNPQZYVIO-AWEZNQCLSA-N 384.477 -0.028 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)C1 1326213980 LGMIQVWLTYHEIT-FQEVSTJZSA-N 384.436 -0.223 30 20 GBED CN1C(=O)CC[C@@H](NC(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)C1=O 1328207652 AMOXACIHOZDVNH-LLVKDONJSA-N 389.437 -0.468 30 20 GBED CC(C)N[C@@H]1CCCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1328818456 WDVBOHHEQLAGPE-JFVSRZABSA-N 377.445 -0.382 30 20 GBED N#C[C@H]1CNC[C@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 1332517437 RDEDCGAOFXYARF-SMDDNHRTSA-N 379.442 -0.988 30 20 GBED COCC#CC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1351074474 AJFOGOVOYUGSOS-UHFFFAOYSA-N 395.481 -0.087 30 20 GBED C[C@H](C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 1571235595 KBTGOZJURUVRFH-PIGZYNQJSA-N 384.400 -0.202 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573299857 MCMVOCYYMBBPAC-YGRLFVJLSA-N 388.432 -0.100 30 20 GBED CC(C)C#CC(=O)N1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H]2CCNC2=O)CC1 1575318223 IHZNRRWKWQWRKJ-MRXNPFEDSA-N 386.456 -0.080 30 20 GBED C=CCNC(=O)NC(=O)CN1CC[C@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588658467 LSFRGQYFBGTRFV-JTQLQIEISA-N 387.404 -0.989 30 20 GBED C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N1CCN(CCOC)CC1 1588699464 JMSLMUXARHBAMX-UHFFFAOYSA-N 385.436 -0.197 30 20 GBED C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CCCN(CC)CC1 1602880122 QQVVTDHIDIZIGT-UHFFFAOYSA-N 384.452 -0.184 30 20 GBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 1602882276 GEURBXLOXATKBM-NSHDSACASA-N 382.388 -0.383 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 1609058708 PVNOENAOSJLMCR-GFCCVEGCSA-N 385.432 -0.216 30 20 GBED CC1(C#N)CCN(C(=O)C(=O)NCCNc2ncccc2-c2nn[nH]n2)CC1 1609141967 IBDBCVRIMYRKEU-UHFFFAOYSA-N 383.416 -0.058 30 20 GBED N#Cc1cn(CCNC(=O)NC2CCN(C[C@@H]3CCOC3)CC2)c(=O)nc1O 1679096265 NDMFHECDVCILIL-ZDUSSCGKSA-N 390.444 -0.379 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](O)N4CCOCC4)C3)C2)C1 1779085557 WYSBYYRHNYJFAJ-MJGOQNOKSA-N 379.457 -0.567 30 20 GBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C(C)=O)CC1)C2 1781693310 DYHOLHQKOFIHKD-YLJYHZDGSA-N 390.484 -0.702 30 20 GBED CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1)C(=O)O 1784381857 MZIITFIESFBPTE-JONQDZQNSA-N 377.441 -0.558 30 20 GBED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)[C@@H](O)N4CCOCC4)CCO3)C2)CCC1 1785366359 DKJHAVAGWIZHNH-DNVCBOLYSA-N 392.456 -0.839 30 20 GBED CN1N=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)CCC1=O 1786701093 MUHPUCTVTRICJO-YDHLFZDLSA-N 375.429 -0.122 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCC(=O)N4)C[C@@H]32)c1 1789344192 XTUBNIMJHOWZMI-AYDFFVQHSA-N 385.424 -0.242 30 20 GBED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)nn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c1ccco1)CCO2 1833078455 WFQYNZLJCQDQOX-GNAXCBTBSA-N 388.376 -0.163 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2 1835427211 DLVLHKHRCRXWSS-KRWDZBQOSA-N 385.486 -0.550 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC)nn1)CCO2 1838353315 KMDSGCTVLIAVMJ-IBGZPJMESA-N 388.424 -0.031 30 20 GBED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1840291738 CXPVQGSUPNAYBB-IBGZPJMESA-N 379.457 -0.228 30 20 GBED COCCN(C(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 269418614 UWYWTZPYKKAPHX-HNNXBMFYSA-N 379.438 -0.050 30 20 GBED O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NCC#CCO 282879688 JHZMYSDPNGJPNU-UHFFFAOYSA-N 393.465 -0.588 30 20 GBED CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 286877973 HZYXNOIMOZODQN-RTBURBONSA-N 398.511 -0.415 30 20 GBED C=CCNC(=O)CNC(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 298124750 YIPRPHTWZUOLIB-UHFFFAOYSA-N 382.442 -0.331 30 20 GBED C/C(O)=N/C[C@@H]1CN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CCO1 329565970 OONBUWCHETXNCG-IAGOWNOFSA-N 396.488 -0.097 30 20 GBED O=S(=O)(CC/N=C(/O)N1CCc2nnc(O)cc2C1)N1CCSCC1 330089689 WBFOMTGYNQELPS-UHFFFAOYSA-N 387.487 -0.167 30 20 GBED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 349492231 KOBMGYWMSQZQRT-ZQDZILKHSA-N 393.531 -0.123 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)c2cnccc21 349494395 CDMMTQUBLBNGJQ-UHFFFAOYSA-N 399.498 -0.157 30 20 GBED CN(CCNS(=O)(=O)N1CCO[C@H](C#N)C1)S(=O)(=O)c1cccs1 409494663 QGTSLLJCLHATCC-LLVKDONJSA-N 394.500 -0.573 30 20 GBED COCCCN(C)CCNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460611925 GSRYBHYAPWKNCE-UHFFFAOYSA-N 399.455 0.470 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCN1CCOC[C@@H]1C 460613230 JXKMROWTVKFVEX-AWEZNQCLSA-N 397.439 0.223 30 20 GBED COc1ccc(C#N)cc1NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 469322944 SQBVIOXWBXVJAB-UHFFFAOYSA-N 377.382 -0.089 30 20 GBED Cc1ccc(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1S(=O)(=O)NCC#N 470812649 RZJZPUBPBFHWKY-QWHCGFSZSA-N 380.426 -0.440 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C[C@H](O)CN2CCOCC2)CC1 538148992 USBSQQWFCURBSH-ROUUACIJSA-N 381.521 -0.696 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@H](C(=O)O)[C@@H](O)Cc1ccccc1 565055112 PLTIAYIREPNPIV-GJZGRUSLSA-N 385.442 -0.260 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1 573695154 CVHDYEUTFLXWSJ-ZIAGYGMSSA-N 376.438 -0.097 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC(O)(CC#N)C2)c1 576172266 GLTGFRLPPIUKAN-LBPRGKRZSA-N 398.466 -0.132 30 20 GBED Cn1nnc(CNS(=O)(=O)c2ccc(S(=O)(=O)NC(C)(C)C#N)cc2)n1 594628976 SMHUIWFLGKWUJN-UHFFFAOYSA-N 399.458 -0.731 30 20 GBED COc1cc(NC(=O)C(=O)N2CC[C@@H]3OCC(=O)N[C@H]3C2)c(F)cc1C#N 599980781 OUPXAIFYZVIEOY-STQMWFEESA-N 376.344 -0.240 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1 646952576 CNPANESHUPLUBM-AWEZNQCLSA-N 397.453 -0.560 30 20 GBED C=C[C@@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 668493196 KTWFGGRTKWTNOO-QGZVFWFLSA-N 395.437 -0.213 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(-n3cnnn3)c(C)c2)CC1 733150626 QNUGNZZUHWFDDT-UHFFFAOYSA-N 381.440 -0.132 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCC(=O)O)cc2)CC1 736075770 HCBTWWWQKPKFRK-UHFFFAOYSA-N 395.437 -0.794 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)OCCN2CCCS2(=O)=O)c1 795323983 LLDUXVSJOXITOX-UHFFFAOYSA-N 387.439 -0.585 30 20 GBED C#CCC[C@H](O)CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 798389623 GFDLYAUQSJQDFQ-ZDUSSCGKSA-N 384.414 -0.053 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)CCO1 800072455 WNHDLJYQGZZNPP-LLVKDONJSA-N 384.380 -0.154 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CCO[C@@H](C#N)C1 820444263 HZZQPHZENUDDDT-PWSUYJOCSA-N 391.413 -0.716 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CS(C)(=O)=O)c2ccccc2)CC1 825974994 IVFULQYLHAFTMH-KRWDZBQOSA-N 391.493 -0.292 30 20 GBED COC[C@](C)(CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 826148642 NEGXFPZBGYJKAH-KRWDZBQOSA-N 397.399 -0.041 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)C[C@@H](OC)C2CCCC2)CC1 872515424 MWWHOLDFFNFTLP-OAHLLOKOSA-N 393.531 -0.393 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H](C(=O)OC)c2cccc(OC)c2)CC1 878313631 BVIDTGOTUHYJAC-MRXNPFEDSA-N 381.454 -0.006 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@@H]1O 964503650 MNWKOZONPGWIKG-RCJHGTSTSA-N 389.452 -0.093 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nnn(C(C)(C)C)n2)C[C@@H]1O 964615482 UVHCPMYDRIXPBI-MQYQWHSLSA-N 392.460 -0.289 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C(C)(C)C)nn2)C[C@@H]1O 970711715 KZKXTBYWYQPVDN-UXOAXIEHSA-N 377.445 -0.074 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 982154632 QURRYWVTXFCNMM-JJXSEGSLSA-N 391.472 -0.118 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C[C@H]2CC(=O)NC2=O)cn1 998222025 YFDIDENVSSOPNE-UKMLZYKCSA-N 380.404 -0.023 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1O 1023960199 DASINWJTCOPOJR-NGFQHRJXSA-N 376.413 -0.442 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 1024420752 LDCBYSATIIVHKS-XZDPQHSOSA-N 388.424 -0.537 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCCn2cncn2)C1 1070295008 HACDOXWGRCJUSQ-YVSFHVDLSA-N 386.460 -0.108 30 20 GBED CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 1092921729 GCXXQQMLXRFECQ-WOPDTQHZSA-N 378.458 -0.098 30 20 GBED N#CCN1CCC(NC(=O)C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)CC1 1117281191 KZHWBQRSKABWHF-MSOLQXFVSA-N 391.516 -0.025 30 20 GBED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N(C)CC(C)(C)C#N)CC1 1117858767 QNQCDLCYMUTZLJ-OAHLLOKOSA-N 395.504 -0.320 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3CC[C@@](F)(CO)C3)CC2)c1C#N 1117984063 UKLHTUYCTXYJRM-INIZCTEOSA-N 381.433 -0.095 30 20 GBED CS(=O)(=O)NC1(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCCCC1 1118145439 NMDAEFBCTUTASJ-INIZCTEOSA-N 386.474 -0.768 30 20 GBED C=CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1121377007 OEAHRNDSOIIOIW-CHWSQXEVSA-N 387.444 -0.118 30 20 GBED C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1OCCO[C@H]1C 1226860800 RPOBCOMFPKSVHZ-NHIYQJMISA-N 382.461 -0.181 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2Cc2ccccc2Cl)CC1 1262390859 QYHDPFXDAAHYJT-UHFFFAOYSA-N 395.876 -0.036 30 20 GBED N#Cc1cccc(NC(=O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)c1 1321566626 WJNDVQXNACXBFW-UHFFFAOYSA-N 376.394 -0.004 30 20 GBED COc1ccc(CN(CCO)C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)c(OC)c1 1326534743 VEUHKJXNQRQHFV-IBGZPJMESA-N 391.424 -0.098 30 20 GBED COCCn1cc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCOC3)c2=O)cn1 1335125170 CIADMQTVMXJBPP-CYBMUJFWSA-N 385.449 -0.184 30 20 GBED CC[C@@H](NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1)C(=O)N1CCOCC1 1336873414 NMWBIGXLDJOATN-CYBMUJFWSA-N 376.417 -0.203 30 20 GBED CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1342101562 WBUNGKFALHCPTE-DKASORFFSA-N 391.428 -0.902 30 20 GBED C=CCn1c(-c2cnc[nH]2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1356121392 JEFNUEQTCGMPLB-UHFFFAOYSA-N 386.460 -0.165 30 20 GBED Cn1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)n1 1554366677 ZRWUKSNBWLYNTN-UHFFFAOYSA-N 383.441 -0.043 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573285777 NHMVBKGHNGZEFY-WFASDCNBSA-N 384.444 -0.131 30 20 GBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNCc1ccc(F)c(-c2nn[nH]n2)c1 1573286275 YCFZHDVSYFFOEL-JSGCOSHPSA-N 390.419 -0.047 30 20 GBED N#Cc1cc(C(=O)NCC2[C@@H]3CN(c4ccc(-c5nn[nH]n5)nn4)C[C@@H]23)c[nH]1 1581866163 USQRUGVAIUVZGU-STQMWFEESA-N 376.384 -0.031 30 20 GBED N#Cc1ccc(C(=O)N2C[C@H]3[C@H](NC(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@H]3C2)[nH]1 1581868614 YZGFOLPWKPAUPX-YABSGUDNSA-N 377.368 -0.105 30 20 GBED N#Cc1ccc(CCNC(=O)CCn2cc(-c3nn[nH]n3)c(O)nc2=O)cc1 1581869383 VXWWTXACHCHVBW-UHFFFAOYSA-N 380.368 -0.250 30 20 GBED N#CCCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O 1592676294 KITVESIYWCLCBE-CQSZACIVSA-N 396.411 -0.102 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)O)C2)CCN1C1CC1 1601060793 JMSUEPVUYMGSHS-XAYKYTGQSA-N 376.413 -0.865 30 20 GBED C#Cc1ccc(C(=O)N(CCO)CCN=c2cc[nH]c(-c3nn[nH]n3)n2)cn1 1602735344 CQJXROAXVCCFAE-UHFFFAOYSA-N 379.384 -0.999 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN([C@@H](C(=O)O)c1cccc(C#N)c1)C2 1610094373 PXKVOXGVIHWSNY-MRXNPFEDSA-N 384.396 -0.354 30 20 GBED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)COCCO)CCO2 1779067062 MJRUBZXGSSIZPM-HXUWFJFHSA-N 394.468 -0.476 30 20 GBED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1784198109 YMFSNONJNVERDM-KXBFYZLASA-N 378.473 -0.397 30 20 GBED Cc1nnc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)s1 1787058401 LMFRAJQTTDSFRF-AVGNSLFASA-N 392.437 -0.543 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(C)n1)C2 1792489114 HGHBAXPPINTSRY-KQLJBOCNSA-N 399.451 -0.153 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2 1797709957 PFMDWNWGTQWUQA-HAFSJTIUSA-N 379.457 -0.715 30 20 GBED C=CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN(CCO)CCO)CC2 1826060193 YMERFPILJIKZCV-GFCCVEGCSA-N 382.486 -0.082 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1832451855 MUTQTHZDCMAIBA-KRWDZBQOSA-N 395.485 -0.346 30 20 GBED CC(C)(O)CC(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1834575960 VHXKFQJGBGTBLA-UHFFFAOYSA-N 379.457 -0.193 30 20 GBED N#CCC(=O)N1CCC(N2CCC(NC(=O)CN3CCNC3=N)CC2)CC1 1834704796 XENAXDLYGJCRDZ-UHFFFAOYSA-N 375.477 -0.688 30 20 GBED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834767419 ICPBAXITNHKNSM-QAPCUYQASA-N 380.445 -0.339 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)CC1 1835348429 XNWTUCZDJKHGLD-GOSISDBHSA-N 388.428 -0.572 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836203500 GXOKJDTWDZGWMX-KRWDZBQOSA-N 376.417 -0.716 30 20 GBED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2)C(F)(F)F 1836353594 DVUXSBBEANULFD-CQSZACIVSA-N 389.334 -0.007 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1839809333 LQAFVQTVBDTCST-HXUWFJFHSA-N 395.419 -0.030 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1840157253 JLXRGWICQGTXGF-WBMJQRKESA-N 387.458 -0.787 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CNC(=O)c1cc(C)on1)C2 1841600898 YMXIILDJSAYDKJ-AWEZNQCLSA-N 388.424 -0.045 30 20 GBED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1847068683 GGAYWLVILSRIER-KBPBESRZSA-N 393.488 -0.608 30 20 GBED C/N=C(/NCCNC(=O)c1cccnc1)N1CCN(c2cnn(C)c2)C(=O)C1 261791012 QXQWDASLVWQUTK-UHFFFAOYSA-N 384.444 -0.531 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 264176274 MVGAZHWPNSKFJH-IYBDPMFKSA-N 388.468 -0.555 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@H](C)CCN1CCN(C)CC1)c1cc[nH]n1 278501602 KPWXLCDJXOGKGT-PFKVCDDJSA-N 394.476 -0.164 30 20 GBED N#Cc1ncn(CCNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 285690276 RSDNKJGDLUPNJP-UHFFFAOYSA-N 380.342 -0.192 30 20 GBED CCS(=O)(=O)N1CCN(/C(O)=N/C[C@@H](C)CN2CCN(C)CC2)CC1 329821811 YVDCGAVWWMOYQN-OAHLLOKOSA-N 375.539 -0.249 30 20 GBED CN1CCO[C@H]2CN(C(O)=Nc3cnn(CC(=O)N4CCOCC4)c3)C[C@H]21 329972397 WDGSKCKISYPKDE-CABCVRRESA-N 378.433 -0.698 30 20 GBED CNC(=O)CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)C#N 349474415 UZSDRGKKCRGUPK-LLVKDONJSA-N 388.471 -0.414 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)ccc1C#N 349509828 ZGODTTJHYQLEND-UHFFFAOYSA-N 383.455 0.179 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 349529169 YZQKMVIWDQTIQH-YNEHKIRRSA-N 392.503 -0.719 30 20 GBED CCN(CCC#N)S(=O)(=O)Nc1cnn(CC(=O)N2CCN(C)CC2)c1 410161177 XTFVEDTYOYBHGG-UHFFFAOYSA-N 383.478 -0.451 30 20 GBED COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 444437969 NCJRHFLSYXKKBU-GOEBONIOSA-N 395.437 -0.296 30 20 GBED CCN1C[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1=O 453925666 IZORWJZUTBETRB-LBPRGKRZSA-N 384.371 0.559 30 20 GBED COC(=O)[C@H]1CN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CCO1 460579647 UUFRMLXBJYSCJN-CYBMUJFWSA-N 398.379 -0.214 30 20 GBED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)s1 524281033 CFDFRGHLPIWGSA-UHFFFAOYSA-N 388.474 -0.453 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCN4CCC[C@H]4C3)CC2)c1C#N 585725508 SFUKHMHDWKJWHD-HOTGVXAUSA-N 399.499 -0.008 30 20 GBED C[C@H]1CC(=O)NCCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588870522 MEYRWXDTTHBLMA-BBRMVZONSA-N 397.435 -0.488 30 20 GBED C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CN(C)CCO1 589138820 IFDPMYUWPFNMOI-ZBFHGGJFSA-N 386.456 -0.563 30 20 GBED N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)c(F)c1 591388840 JNLIOZYLMZKESP-HNNXBMFYSA-N 387.415 -0.264 30 20 GBED COc1cc(NC(=O)C(=O)NCCN2CCN(C(C)=O)CC2)c(F)cc1C#N 599931457 AMADPZCOSKZQCE-UHFFFAOYSA-N 391.403 -0.075 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 599938402 OOCHJJFYXCWJOA-IMJJTQAJSA-N 392.481 -0.107 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3nc(CCC)cc(=O)n3[nH]2)C1=O 622996279 JFKYGKKOBXRPOL-UHFFFAOYSA-N 387.356 -0.715 30 20 GBED CN1CCCC[C@H](C(=O)NCC#CCNC(=O)[C@H]2CCCCN(C)C2=O)C1=O 635785719 HUZCQYFVOYFUHP-HZPDHXFCSA-N 390.484 -0.261 30 20 GBED CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 727008836 WMLQLUBVRWBTAI-ZDUSSCGKSA-N 386.408 -0.090 30 20 GBED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)NCC#N 731236750 KQKRMIYJHATEIS-UHFFFAOYSA-N 397.409 -0.487 30 20 GBED CCN1CCN([C@@H](C)CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 733162633 QEQKLVYSJIERSX-AWEZNQCLSA-N 393.513 -0.133 30 20 GBED COC(=O)[C@H](O)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 747521225 PUPFQORMCSMXDA-OAHLLOKOSA-N 395.437 -0.502 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](O)COc2cccc(F)c2)C1=O 748557963 FBSLOQKDDDXSOA-LBPRGKRZSA-N 379.344 -0.342 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1)[C@@H]1CCCO1 786662696 KNTAXNCSWVVELL-GJZGRUSLSA-N 379.438 -0.622 30 20 GBED C#Cc1cccc(NC(=O)CNC(=O)C2CCN(S(=O)(=O)NC)CC2)c1 795375865 OHVPVNMJZPHQGY-UHFFFAOYSA-N 378.454 -0.101 30 20 GBED COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 807777491 NITYRGHMLRYMTO-LSDHHAIUSA-N 391.428 -0.582 30 20 GBED CN(C)c1c(C=NNc2ccccc2S(C)(=O)=O)c(=O)n(C)c(=O)n1C 807971034 GJAXBSJOVHQEBO-UHFFFAOYSA-N 379.442 -0.001 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2c[nH]c(C(F)(F)F)c2)c(=O)n(C)c1=O 807979327 QGNOHDDJUHEXQO-UHFFFAOYSA-N 379.320 -0.257 30 20 GBED CCOC(=O)CON=C(C(=O)NCCN1C[C@@H](C)OC[C@H]1C)c1cc[nH]n1 855409400 DFSSFWSWSAVLJD-CHWSQXEVSA-N 381.433 -0.081 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCOC 914565056 RJVXNUHRPJNLJR-UHFFFAOYSA-N 375.454 -0.681 30 20 GBED C=C(C)CN(CC)C(=O)COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914653361 JYUHQUNUBOFJCB-KGLIPLIRSA-N 386.470 -0.010 30 20 GBED C#CCOc1ncccc1C(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCN(C)[C@@H]2C)C1 964629381 TZYOGRZCVTYDHV-SRABZTEZSA-N 386.452 -0.265 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cnc(O)n(C)c3=O)C[C@H]21 975261893 QMEDIFPJSLXOGC-GBOPCIDUSA-N 388.424 -0.250 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 1024082479 CKDGNTUTQQJZSR-LPWJVIDDSA-N 378.433 -0.679 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(C)(C)NC(=O)NCC 1111093737 HRBYBRYLBIKLTJ-TUVASFSCSA-N 377.489 -0.057 30 20 GBED CCOC1CC(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)(N2CCOCC2)C1 1117654981 ULIUCPFBTHZKSE-CSLYMUCUSA-N 380.445 -0.877 30 20 GBED N#CCC1(O)CN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)C1 1118617701 YISIMXAWWJIRAE-UHFFFAOYSA-N 381.414 -0.405 30 20 GBED Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1NCC(=O)NCC#N 1131076671 XKDOGILKUHJPMI-IETPZCKNSA-N 386.456 -0.489 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)CCO1 1261232040 SOMKEEUCSVPDSY-GOEBONIOSA-N 386.408 -0.467 30 20 GBED CS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1302500323 VPJUDYFYXQKXQJ-OAHLLOKOSA-N 399.452 -0.495 30 20 GBED N#CCNC(=O)CN1C(=O)N[C@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O 1318338382 IIMGMWBSHHNLQC-HNNXBMFYSA-N 380.357 -0.610 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 1323699046 HERRFSZNEWCEIN-UHFFFAOYSA-N 389.474 -0.314 30 20 GBED C=C(C)Cn1c(CNS(=O)(=O)CC)nnc1N1CCN2CCOC[C@@H]2C1 1343299572 RHQKRGJATLYKAG-AWEZNQCLSA-N 384.506 -0.186 30 20 GBED Cn1c(C[N+](=O)[O-])nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1344596502 KIELIATWIPBZKN-UHFFFAOYSA-N 391.413 -0.026 30 20 GBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCN(CCOCCOC)CC1 1355378127 CVWMVLLNLXKPMV-OAHLLOKOSA-N 378.477 -0.147 30 20 GBED N#Cc1cn(CCC(=O)N2CCC[C@@H](N3CCOCC3)CC2)c(=O)nc1O 1449363630 TVNMRISREZLLGM-OAHLLOKOSA-N 375.429 -0.076 30 20 GBED N#Cc1ccc(C(=O)NC[C@H]2CN(c3ccc(-c4nn[nH]n4)nn3)CCO2)[nH]1 1571153903 UYWRASJPGIGDRL-NSHDSACASA-N 380.372 -0.508 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2CCCN2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1574937442 XBNSYJHGFXNAOD-OLZOCXBDSA-N 384.506 -0.126 30 20 GBED C#CCN1CCC(C(=O)N[C@H]2C[C@H](N[C@@H](C)C(=O)NCc3cnn[nH]3)C2)CC1 1574985584 HFYXBWSQWIRCIG-BPUTZDHNSA-N 387.488 -0.609 30 20 GBED CC#CCN(Cc1cnn[nH]1)c1nnc(CC)n1C[C@]1(O)CCS(=O)(=O)C1 1575122470 YFZAFEUBIHXTLO-MRXNPFEDSA-N 393.473 -0.462 30 20 GBED CO[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1579863716 PSLQAYGRJDUMPZ-ZIAGYGMSSA-N 394.399 -0.202 30 20 GBED Cn1c(=O)[nH]c(N2CCO[C@@H](c3ccc(-c4nn[nH]n4)cc3)C2)c(C#N)c1=O 1581748114 PDRXUIYAOVTPPB-CYBMUJFWSA-N 380.368 -0.297 30 20 GBED C#CCOCCC(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nn[nH]n2)C[C@H]1O 1588361702 ROYCOHREOXGBGB-HUUCEWRRSA-N 385.428 -0.334 30 20 GBED N#CCSCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O 1592678995 BZJUFVUQYWWADF-ZIAGYGMSSA-N 391.432 -0.076 30 20 GBED Cc1nn(C)c(N2CCN(S(=O)(=O)c3cc(C(=O)O)no3)CC2)c1C#N 1608001880 IGKQPKOTIZKIGH-UHFFFAOYSA-N 380.386 -0.203 30 20 GBED N#Cc1cn(CCNC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)c(=O)nc1O 1641034312 ZGSWPPIQBNBQJH-IBGZPJMESA-N 381.392 -0.215 30 20 GBED CNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1748273392 DCLOXTCBWKSUSF-ZIAGYGMSSA-N 386.460 -0.458 30 20 GBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2 1783049448 YWZNBINOTFTNFO-SCLBCKFNSA-N 381.429 -0.665 30 20 GBED CC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1783139932 HVKXJJILHLPXLD-FQEVSTJZSA-N 391.468 -0.349 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)[nH]3)C[C@@H]21 1784484924 FVUOZSZIVTYYGK-ABHRYQDASA-N 376.413 -0.253 30 20 GBED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N3CCN(C)CC3)[C@H]2C1 1789801623 PGUOABMNTHAIIO-WOYTXXSLSA-N 398.573 -0.080 30 20 GBED C=CC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1790826369 UPEMRQXDNATOLR-QPSCCSFWSA-N 392.456 -0.270 30 20 GBED Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)nn1C 1791073014 KTZTXIBUEVCFHV-BPUTZDHNSA-N 388.424 -0.661 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1791264529 RICTWHIMBLHZAV-CYDGBPFRSA-N 396.469 -0.141 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)c1ccccn1)C2 1793342880 XKXLPBADDWKLBY-HITLURFISA-N 386.452 -0.291 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)C=C)C2 1793358051 NAJRKKGEZZPIKM-JGFGOLAASA-N 379.457 -0.142 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2 1800453260 BZEONHCUSUBCNZ-HLPPOEQASA-N 395.456 -0.515 30 20 GBED C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801977417 DCYMDTOUFHAGDU-XQLPTFJDSA-N 397.497 -0.049 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)OC)C2)C1 1829773177 CRQBPSYRGBJYHR-OHLRXGENSA-N 395.456 -0.664 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831023515 MKDRCPPUBCIWHB-WBMJQRKESA-N 387.458 -0.787 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)[C@@H](C)CC)C2)C1 1831393371 KPGQJJNHGBTDRJ-TVKQPGBESA-N 395.500 -0.146 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)n(C)n1)CCO2 1833411645 NPNQKGRWRULYQX-SFHVURJKSA-N 376.413 -0.391 30 20 GBED C=CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1834675813 CUVKMHRZACLMRF-INIZCTEOSA-N 379.505 -0.273 30 20 GBED CN1CCC[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338944 ZUVVUFBRQXKQEY-KXBFYZLASA-N 376.457 -0.159 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1835351967 HJFKNZUVKXSGDF-KDOFPFPSSA-N 378.429 -0.727 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840234399 OWZHDSHLAGYSPM-DNVCBOLYSA-N 377.441 -0.618 30 20 GBED C[C@@H](C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)[C@@H]1SC(=N)NC1=O 1843409035 MAWBWXWRWIJEJA-SKDRFNHKSA-N 378.410 -0.920 30 20 GBED CS(=O)(=O)CC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844300155 OPTNLVRJDFUPHD-GFHWABCWSA-N 387.458 -0.237 30 20 GBED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1846560400 JNVSDHKPPRRHAI-OAHLLOKOSA-N 384.440 -0.036 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)cc1 25022438 IOIHTABFWLVKQR-AWEZNQCLSA-N 395.437 -0.345 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(C(=O)CN2CCOCC2)CC1 28176616 HSESAJDXAKHTGX-VQIMIIECSA-N 379.505 -0.094 30 20 GBED C#CCCN1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 68445245 BPGMDJVUPJNEIT-AWEZNQCLSA-N 380.470 -0.681 30 20 GBED C/N=C(/NC[C@@H]1CCC[C@@H]1O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261758889 CUKIXYVEALQYGE-ZFWWWQNUSA-N 385.490 -0.142 30 20 GBED CSCC/N=C(/NC[C@@H]1CCS(=O)(=O)C1)N1CCN(C(C)=O)CC1 261761392 RFKKZRCBHRGJLK-AWEZNQCLSA-N 376.548 -0.106 30 20 GBED CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 269020510 PVXCENVBQSBMQO-AWEZNQCLSA-N 387.444 -0.500 30 20 GBED COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(F)cc(C#N)cc1F 274884382 DMMXOEQEESOENS-LLVKDONJSA-N 394.377 -0.203 30 20 GBED CC(=O)N1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@@H](C)C1 297762390 KJFDHFFPYPEVBB-AWEZNQCLSA-N 384.440 -0.319 30 20 GBED C[C@H]1CN(C)C(=O)CN1S(=O)(=O)CCCCS(=O)(=O)N(C)[C@H](C)C#N 349608077 GHKNEASYKKJQKC-OLZOCXBDSA-N 394.519 -0.567 30 20 GBED CC1(C#N)CN(S(=O)(=O)CCCCS(=O)(=O)Nc2ccc(O)nn2)C1 349610370 JKOAUQLAXNNFOY-UHFFFAOYSA-N 389.459 -0.121 30 20 GBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 440296730 UGCPQNLGGWSPDQ-LBPRGKRZSA-N 381.396 -0.174 30 20 GBED CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 502310711 FGLUFRZNDCZCFD-UHFFFAOYSA-N 397.482 -0.045 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CS(=O)(=O)CCO1 509129552 XRIDCYKEXCUPMK-CHWSQXEVSA-N 394.457 -0.618 30 20 GBED CCN(CC(=O)NCc1ccc(C#N)cc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 513335432 PGSCKMAVLWTJIG-MRXNPFEDSA-N 392.481 -0.200 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 519152750 FAIMWFGFPHCYQJ-UHFFFAOYSA-N 390.421 -0.460 30 20 GBED C=CCN1CC[C@H](N(C)CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1=O 532476175 ILYVEHLIFPWNMS-CVEARBPZSA-N 398.529 -0.964 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(C#N)cc1C 546171383 ASFGGRHNYTWAMO-CQSZACIVSA-N 395.437 -0.065 30 20 GBED C[C@@H]1CC[S@](=O)CCN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N 574099996 RJKRBAUCNITMDX-IPQOISQHSA-N 399.560 -0.229 30 20 GBED CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 592304225 GEHHQNCORPEZQK-HXUWFJFHSA-N 399.451 -0.110 30 20 GBED N#C[C@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 597744313 QZNNYSAPFRTNDN-VXGBXAGGSA-N 382.398 -0.004 30 20 GBED CN1CCCC[C@@H](C(=O)NCC#CCNC(=O)[C@@H]2CCCCN(C)C2=O)C1=O 635785695 HUZCQYFVOYFUHP-HOTGVXAUSA-N 390.484 -0.261 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 658916328 LAEYEYGHVIRFHF-CYBMUJFWSA-N 376.413 -0.441 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)CCCC)CC1 728611662 WFWBEPWSHNXGTL-MRXNPFEDSA-N 398.529 -0.526 30 20 GBED COC(=O)C[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC 796935392 NYDTWIQNZFAQCY-ZWNOBZJWSA-N 398.393 -0.127 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[nH]n1 823919995 WAKDCSLVQOBMFK-UHFFFAOYSA-N 375.393 -0.825 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@H]2CC(C(N)=O)=NO2)C1 838551053 DTRAGJPNBKJXJU-UMNHJUIQSA-N 380.405 -0.325 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 895850163 FLFRZXZCQBQPGG-MRXNPFEDSA-N 399.517 -0.966 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1cn(CC)nn1 960748155 AISHAMOYDDTLJU-LTIDMASMSA-N 389.456 -0.130 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2nnc(C)o2)C[C@@H]1O 964193999 TUNWSTQQSJXKKW-LOUJCGABSA-N 378.429 -0.020 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3nnc(O)nc3O)C[C@@H]2C1 986441125 IFYNOCVQFXAIIV-XQHKEYJVSA-N 389.412 -0.206 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@@H]1C 988282774 INLPVFDVHHYKKT-DRMAHVMPSA-N 392.500 -0.153 30 20 GBED C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@H]32)nc1 1022294854 ZAUZCOFUCANPHC-PQEBFOHHSA-N 382.420 -0.231 30 20 GBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 1109467350 SNJHXTXSBURYEQ-FZKCQIBNSA-N 377.489 -0.827 30 20 GBED CO[C@]1(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CCS(=O)(=O)C1 1128139314 ZEWUJSUXWBNRFM-MRXNPFEDSA-N 381.458 -0.548 30 20 GBED CCn1cc([C@@H]2C[S@@](=O)CCN2S(=O)(=O)N2CCO[C@H](C#N)C2)cn1 1321196296 PTJWKZOVNQQBHO-CDEUHXGRSA-N 387.487 -0.522 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1322966556 HJQIOBKDPWDCHX-UONOGXRCSA-N 383.445 -0.107 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NC[C@H](C)CN2CCN(CC)CC2)nn1 1325961564 NRAUBDGCKNZXMW-HNNXBMFYSA-N 377.493 -0.530 30 20 GBED CN(C(=O)C(=O)N1CC[C@@](O)(CC#N)C1)[C@H]1CCN(CC(F)(F)F)C1=O 1326248044 GJYCHANQEQBGMM-HZMBPMFUSA-N 376.335 -0.515 30 20 GBED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1343049595 IEKWOFZUBBXJQO-MGPQQGTHSA-N 399.455 -0.584 30 20 GBED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1345712916 ZNDSMAAAYXNFKZ-HRCADAONSA-N 393.488 -0.520 30 20 GBED CN(CCC#N)C[C@H](O)CNC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 1348958816 YLNDQCZMFLYLHL-OAHLLOKOSA-N 384.506 -0.631 30 20 GBED C=CCn1c(CN2CCC(O)CC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1520355137 DPGPDGPNJYYXNB-UHFFFAOYSA-N 391.520 -0.369 30 20 GBED C[C@@H](C#N)C(=O)N1CC[C@H](N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 1571205719 KYHRCBVQAKRCMZ-STQMWFEESA-N 382.432 -0.461 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573309793 ORFWBZYSOWBDPU-PXAZEXFGSA-N 391.432 -0.587 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCOC1 1574954003 GGCRSNBCOTVRRW-DYVFJYSZSA-N 386.416 -0.862 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3cnn[nH]3)CC2)C1 1575012632 FAGWTGQTWDYVFG-JKSUJKDBSA-N 388.472 -0.274 30 20 GBED COCC#CCN1CCC(N(Cc2cnn[nH]2)C(=O)CCNC(N)=O)CC1 1576951581 BJGOIKFGZAZHDF-UHFFFAOYSA-N 377.449 -0.694 30 20 GBED N#CCSCC(=O)N1CC[C@H]1CNC(=O)[C@@H]1CCCN1Cc1cnn[nH]1 1577709931 INAJQGJJDYCANB-KBPBESRZSA-N 377.474 -0.257 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)c(C)n2)C[C@H]1OC 1588357965 RJQLIBLXKLYGPS-NWANDNLSSA-N 385.428 -0.072 30 20 GBED C=CCCn1cc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[nH]n3)nc2)nn1 1588620794 HJJUNARRHFNNPZ-GFCCVEGCSA-N 384.404 -0.368 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2c(C)nn(CC(=O)O)c2C)C1=O 1588832236 JBCCGEXHHRATQO-UHFFFAOYSA-N 377.357 -0.822 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]2C(=O)NCC(=O)O)CC1 1603711654 GUGZMBUUBOVLJB-HUUCEWRRSA-N 379.461 -0.656 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@]1(CC(=O)O)CCOC1 1604356282 JERZRZFGZDZYLA-BDJLRTHQSA-N 381.410 -0.025 30 20 GBED C[C@@H](Nc1nccs1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561609 BTXZZQYLPFNQQQ-SJKOYZFVSA-N 392.437 -0.139 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565769 PXPDNTBBXLUFTM-GOSISDBHSA-N 378.381 -0.586 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1785355748 BRHLORRWKQRVHC-LJQANCHMSA-N 388.424 -0.499 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCOC3)[C@H]2C1 1791750821 BUUHVRIUNLSIAX-XHMOGETBSA-N 391.468 -0.139 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(C)C)C2 1792484815 VJTIKAPHEAHCFN-XOGJXXCJSA-N 379.457 -0.141 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2 1793823967 QBFFTLYEONNXSX-XPCVCDNBSA-N 380.474 -0.257 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=S)NC 1797756624 XCSXQDBPIBIISN-AYDFFVQHSA-N 396.513 -0.902 30 20 GBED CN(C)C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797783130 DWYDDWGRSRQUAM-SCAQPMJSSA-N 391.468 -0.637 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cc(CO)on2)[C@H]1c1cccnc1 1812878098 SYENDTLIVJQPBU-UGSOOPFHSA-N 398.375 -0.031 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CN)sc2C1 1817071060 KAFHQGREIMJPTN-OUJBWJOFSA-N 381.502 -0.086 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)N(C)C)CCO2 1830049113 ZQJKWQGLBOFKHW-LJQANCHMSA-N 394.472 -0.483 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1831402542 KAICLNDWPIBAST-KMTUBLAMSA-N 394.424 -0.488 30 20 GBED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1831412635 UXKAAOYWSJIWHR-LPHOPBHVSA-N 397.472 -0.440 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)c1cccs1)CCO2 1833033166 QBMQURXOBQKZEV-GOSISDBHSA-N 391.449 -0.433 30 20 GBED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)cn1 1834524066 GOKJEQYAEJUTFS-GOSISDBHSA-N 389.412 -0.141 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1834757923 BTRVPVABYXAUJN-WMLDXEAASA-N 393.469 -0.617 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1835302327 ZKGVEVOOUPLXGI-FZKQIMNGSA-N 378.429 -0.729 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1835356678 FKRHJAKXRWMTPD-SFFCAUCYSA-N 390.440 -0.419 30 20 GBED C[C@@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1835523706 VEGRMVQFLSLKGX-HNAYVOBHSA-N 395.504 -0.681 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](COC)NC(C)=O)C1 1844383113 MVKMXEYTYNAGAF-IDTUSYRASA-N 392.456 -0.801 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)cc1 52657811 AZICVLCEPNUXEQ-UHFFFAOYSA-N 388.424 -0.094 30 20 GBED Cc1cnn(CCC(=O)N2CCN(C/C(O)=N/[C@H]3CCS(=O)(=O)C3)CC2)c1 329766669 YLPBIUPTEYMJDB-HNNXBMFYSA-N 397.501 -0.131 30 20 GBED CCN1CCN(C/C(O)=N/[C@H]2CCCN(c3ccnn3C)C2=O)C(=O)C1=O 330120720 BEBHQYNSDHWRAG-LBPRGKRZSA-N 376.417 -0.437 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H](CO)CC1 349505481 WGMXHGIAOAOLSX-ZIAGYGMSSA-N 381.520 -0.026 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C)CCN(C)C3CC3)CC2)c1C#N 410835676 OOWHLHWOTSQFCH-UHFFFAOYSA-N 387.488 -0.199 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H](N4CCOCC4)C3)CC2)nc1 459924163 UTNJIKBBTMNUGZ-QGZVFWFLSA-N 398.467 -0.465 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@@H]2COC[C@H]2O)c1 521646503 VTHUOUXAKBTJII-ZLKJLUDKSA-N 389.455 -0.743 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(F)cc1C#N 544837325 PSVHYPNAWGFPKB-ZDUSSCGKSA-N 399.400 -0.234 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 562004118 ILIHXZJJZQXLIM-QIJZBDPFSA-N 389.456 -0.047 30 20 GBED CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)O1 562178262 DLUWXLOIXOABMD-UKRRQHHQSA-N 394.453 -0.411 30 20 GBED C[C@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)[C@H]1CN(C)CCO1 589408530 YJOAYQILLDYSIB-SWLSCSKDSA-N 383.412 -0.087 30 20 GBED CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC#N)CC#N)cc2)CC1 594623683 XAHQMPRVEXYVMQ-UHFFFAOYSA-N 397.482 -0.339 30 20 GBED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(N)=O 610358272 ZSFAYALWFDCNCE-UHFFFAOYSA-N 399.432 -0.721 30 20 GBED CC(=O)N[C@@H](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C(N)=O 610421246 HPXGGTGJRVUCHD-JKSUJKDBSA-N 375.404 -0.085 30 20 GBED C[C@@H](CC(=O)NCCN1C(=O)CNC1=O)/N=C1/NS(=O)(=O)c2ccccc21 742672406 GHIPSPAIUVLRFK-JTQLQIEISA-N 393.425 -0.828 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCCN2C(=O)CNC2=O)C1 758469810 GCDCFKZUHCSELC-RYUDHWBXSA-N 394.432 -0.013 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 766743877 KYQTXIKRHCXHRN-HNNXBMFYSA-N 379.486 -0.341 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cn2ccnc2)C(=O)OC)c1 779563850 IYVUEZMBGWJFKF-OAHLLOKOSA-N 390.421 -0.234 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)c1cnn(C)n1 792033574 AFPOCTNNWHRLMV-SNVBAGLBSA-N 377.382 -0.220 30 20 GBED N#Cc1cc(C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1F 792321395 NZNJDLNVAKUESV-NSHDSACASA-N 383.357 -0.133 30 20 GBED C#CCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2c(C)noc2C)CC1 810271347 QHDBIWRCNKERTH-UHFFFAOYSA-N 382.442 -0.442 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2ccc(C)cc2)CC1 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CCNC(=O)CN1CCN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)CC1 1604353307 YKWGEGRHNOQMBE-MRXNPFEDSA-N 396.455 -0.171 30 20 GBED N#Cc1cn(CCC(=O)N[C@H](C2CC2)C2(CO)CCOCC2)c(=O)nc1O 1640308602 QJNQZXNDBXFYKK-OAHLLOKOSA-N 376.413 -0.105 30 20 GBED N#Cc1ccsc1NC(=O)CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 1652967261 MJLQTMQCTXBGDM-CHWSQXEVSA-N 384.483 -0.666 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnnc(Cl)c1)CCO2 1783558397 YYIMTRYTTYPQKV-INIZCTEOSA-N 378.772 -0.339 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1783563485 SFYPLPSOBVVPFB-IBGZPJMESA-N 382.376 -0.134 30 20 GBED C#CCCCC(=O)N1CC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1783903185 HTUJWJRTWHFGPY-HXUWFJFHSA-N 387.436 -0.065 30 20 GBED Cc1nn(C)c(C)c1CC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1784515215 QXYJVZXLUKHGSJ-IBGZPJMESA-N 388.424 -0.503 30 20 GBED CCNC(=S)NCC(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785369496 MOTVGIDOBNLNEW-GOSISDBHSA-N 393.513 -0.006 30 20 GBED 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377.485 -0.139 30 20 GBED C=CCNC(=O)NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1C 1106143931 QRAZKSFCLBCMDT-KBUPBQIOSA-N 393.488 -0.403 30 20 GBED CCN(CCC#N)C(=O)CN1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1113136032 VRGLRPFOCLPJAD-XYJFISCASA-N 378.473 -0.056 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 1116053970 DWERCEXSDZILBC-UHFFFAOYSA-N 383.408 -0.886 30 20 GBED CC[C@@H](C#N)Oc1cccc(CNC(=O)C(=O)NCC(=O)N2CCOCC2)c1 1117349890 PMSMFPXYPOORLL-HNNXBMFYSA-N 388.424 -0.041 30 20 GBED C=CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1121377012 OEAHRNDSOIIOIW-OLZOCXBDSA-N 387.444 -0.118 30 20 GBED C=C(C)Cn1c([C@@H](C)CO)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1122529241 YFVJROXSONMFAK-INIZCTEOSA-N 392.504 -0.069 30 20 GBED COC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(c2ccc(C#N)nc2)CC1 1194425072 PQKSLVMPYWODOH-UHFFFAOYSA-N 376.398 -0.026 30 20 GBED Cc1nn(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)c(=O)c(C#N)c1C 1321442651 ABZZMSQNOIMTHP-UHFFFAOYSA-N 387.421 -0.031 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC)cc1 1323735149 KLIAZNRSAMVRSI-UHFFFAOYSA-N 389.455 -0.750 30 20 GBED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H](NC(N)=O)C1 1326870868 RVAHUBFSYFJMIP-INIZCTEOSA-N 386.456 -0.282 30 20 GBED CCN1CCN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1=O 1331228560 SNEYWHFZKKTLEA-ZDUSSCGKSA-N 385.428 -0.924 30 20 GBED C=CCn1c(CN2CCC(O)CC2)nnc1N1CCN(S(=O)(=O)CC)CC1 1340330930 VSDKHNPNQRTQDH-UHFFFAOYSA-N 398.533 -0.108 30 20 GBED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCC1CC1 1509697144 RWQTVCWTCVHUBI-CYBMUJFWSA-N 375.433 -0.329 30 20 GBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C[C@@H]1O 1588362903 YCYCLGDVCLBOEF-CVEARBPZSA-N 388.403 -0.293 30 20 GBED C=CCn1cc(C(=O)N(C)[C@@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C2)nn1 1588711088 JBVBDQYHNACGTF-LLVKDONJSA-N 381.404 -0.215 30 20 GBED C[C@]1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCN(CC(=O)NCC#N)C1 1590131409 KPJLGAYTGAHROM-QGZVFWFLSA-N 385.432 -0.334 30 20 GBED C#CCO[C@@H](C)C(=O)NC1(CO)CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1602726082 OSMWDHOBFQCKBU-ZDUSSCGKSA-N 385.428 -0.253 30 20 GBED CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1646148981 YJOBIYRAFAPGRC-LLVKDONJSA-N 379.442 -0.116 30 20 GBED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1779070356 WGCYSLJAXOPENN-CRAIPNDOSA-N 395.412 -0.385 30 20 GBED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN(CCO)CCO)CCO2 1784202190 AMQINIMATJBDFT-FQEVSTJZSA-N 395.500 -0.704 30 20 GBED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21 1784491800 XZMIBBKSGJYBHX-KKUMJFAQSA-N 381.477 -0.568 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 1784501685 ZURPPHSPFSRURZ-QXKUPLGCSA-N 379.457 -0.164 30 20 GBED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCc4nc(N)n[nH]4)C[C@@H]32)CC1 1786696169 NWMOAEIDAIFAHT-AVGNSLFASA-N 387.444 -0.397 30 20 GBED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)N1C[C@H]2C[C@@H]2C1 1788516671 OLUUGUVONYAVDC-NEMWNAMBSA-N 389.452 -0.606 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CNC(=O)O4)C[C@@H]32)c1 1789343195 QVWBFCPEYDPZAP-JURCDPSOSA-N 387.396 -0.412 30 20 GBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccnc1 1793957333 MWTFWAHXKXTKMO-ZIEJDFEHSA-N 392.481 -0.281 30 20 GBED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)CN)c1 1796339462 MJWKLMZAHMSMBP-FSDCSDTHSA-N 387.440 -0.944 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNc3ccccc31)C2 1800775935 MEUKCPWBQJFYNI-QPWUGHHJSA-N 383.404 -0.127 30 20 GBED C[C@H](Nc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777295 OUZWQKSIOCXBBU-FLTUCWPJSA-N 386.408 -0.440 30 20 GBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)C2 1802022130 WQRXULHPUTWTNW-AMVBZWJASA-N 392.481 -0.208 30 20 GBED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)N2CCOCC2)C3)CCC1 1804112247 VNJFFHQKOOOHLF-IVSAIRAKSA-N 376.457 -0.031 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(CO)on3)sc2C1 1821705852 PRGIYFLJYKGNPB-MRVPVSSYSA-N 390.377 -0.063 30 20 GBED CN(C)C(=O)NCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822197079 KNRWJRIIAVDZOX-GFCCVEGCSA-N 390.400 -0.239 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1831393918 RSLYCYVSHPUWHR-ACJLOTCBSA-N 392.412 -0.776 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1831424438 JGTJFMAMIDAVFF-KBXCAEBGSA-N 383.445 -0.878 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838806116 XIDQVANGKKNPCB-MEDUHNTESA-N 385.442 -0.445 30 20 GBED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2)C(F)(F)F 1839166057 DTNASGHMSMZGTQ-WFASDCNBSA-N 393.362 -0.304 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1840042760 NCZOBYKZPNVTOK-SFHVURJKSA-N 391.355 -0.621 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)n2cnnn2)CCO3)C1 1840472944 GJTMAQZQLFKTGY-KBXCAEBGSA-N 390.444 -0.343 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1845251574 AVTKICKLSZSTSX-NWDGAFQWSA-N 379.417 -0.411 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCOc2ccc3c(c2)OCO3)C1=O 53270739 ODXLIXWWVNZUFE-UHFFFAOYSA-N 375.337 -0.113 30 20 GBED CC(C)NC(=O)CN1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 180505225 AMIQEDIOXJTIES-GOSISDBHSA-N 392.548 -0.179 30 20 GBED CN1C(=O)C(/C(N)=N/O[C@@H]2CCN(c3cnn(C)c3)C2=O)=C(N)C12CCCC2 265014737 XIMICXVFIFBSPA-GFCCVEGCSA-N 387.444 -0.188 30 20 GBED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C 275834518 UTODYQQGUPXCQJ-UHFFFAOYSA-N 396.512 -0.184 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)N(C)C)c1 288320378 USNHEZKEOXKNDJ-UHFFFAOYSA-N 390.487 -0.723 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(/C(O)=N/C[C@H](C)CN2CCOCC2)CC1 330858860 RBJNTEZRNSTHRZ-HNNXBMFYSA-N 383.493 -0.463 30 20 GBED COC1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2ccc(C#N)cn2)C1 349600386 LWFPUXLPPFZDKT-UHFFFAOYSA-N 388.471 0.136 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCCO[C@@H](CN)C3)CC2)c(F)c1 423212188 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C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CC1 743900573 MEENCDQLMDTNEX-UHFFFAOYSA-N 398.419 -0.032 30 20 GBED CCOC(=O)[C@@H](CO)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 782756640 ABBCIXOENRJEGV-GFCCVEGCSA-N 383.426 -0.455 30 20 GBED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCCn1cnc(C#N)n1 803550731 OREHCRJRSHNFNJ-LBPRGKRZSA-N 391.432 -0.218 30 20 GBED CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(S(N)(=O)=O)CC1 819219447 DSFDZLUUMMVXBJ-LBPRGKRZSA-N 389.478 -0.079 30 20 GBED C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1S(=O)(=O)CCCC#N 820804716 XYVVDMQYIQZHJJ-NSHDSACASA-N 377.434 -0.199 30 20 GBED C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 851697164 CKSVCJBDPYLSGK-WVQJBOLRSA-N 393.421 -0.327 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 974790059 JWHACRQYAREHEL-OEUWWYETSA-N 390.440 -0.421 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccnn2)C[C@@H]1n1ccnn1 990964009 WJXWUZZIZRKKBD-OJLVUWQFSA-N 383.412 -0.159 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@H]1O 1023939931 TZJBYAVWFDUFFH-BORJPKMPSA-N 390.440 -0.698 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnn(CC)c2CC)C1 1025674750 QAVDNCYVFDVNIP-GBOPCIDUSA-N 377.445 -0.247 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1(S(C)(=O)=O)CCCC1 1111141269 PWASCFQBELVLMS-KFWWJZLASA-N 381.498 -0.185 30 20 GBED C#CCOc1ccccc1NC(=O)C(=O)NCC1(O)CCS(=O)(=O)CC1 1117068754 NVLICBWSCFHUFD-UHFFFAOYSA-N 380.422 -0.307 30 20 GBED C=CCn1c(-c2ccn(C)c(=O)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1121560126 DNLIIWTZKFKGNX-UHFFFAOYSA-N 378.458 -0.089 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)N(C)C2CC2)C1 1130009347 KOGIGUYAOQNNHU-NCOADZHNSA-N 388.472 -0.169 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 1321922385 ORJFPPOMWMCWJM-UHFFFAOYSA-N 375.450 -0.293 30 20 GBED CCN(CCNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)C1CC1 1322239515 FIAJKUKEJXKMBD-CQSZACIVSA-N 385.472 -0.014 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC2CCN(CCCOC)CC2)CC1 1322661771 INPMRUDGKUPJCM-UHFFFAOYSA-N 392.500 -0.409 30 20 GBED CC(C)(C)[C@H]1CN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCO1 1324578629 SXVMPHSSFXIKCQ-FARYLTDUSA-N 378.429 -0.098 30 20 GBED Cc1ccc(C(=O)NCCNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cc1F 1326848851 KFCROYPOTBLLAL-SFHVURJKSA-N 376.388 -0.143 30 20 GBED C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)CC1 1327168293 OSTGSJYXWJYFPA-LIRRHRJNSA-N 389.456 -0.122 30 20 GBED N#Cc1c2c(cn(CN3CCN([C@H]4CCS(=O)(=O)C4)CC3)c1=O)CCC2 1343771202 PRNAARSBMSVFPB-HNNXBMFYSA-N 376.482 -0.029 30 20 GBED C#C[C@H](NC(=O)C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1)[C@H]1CCCO1 1347268984 JCWVARKVYZXBSK-LSDHHAIUSA-N 399.513 -0.008 30 20 GBED COc1ccn2c(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cnc2c1 1515174256 UASYOIJZYWDCJA-GFCCVEGCSA-N 376.394 -0.078 30 20 GBED COc1ccc(OC)c(CN(CCO)C(=O)Cn2cc(C#N)c(O)nc2=O)c1 1567075368 UGEVJQDNKXLWKC-UHFFFAOYSA-N 388.380 -0.141 30 20 GBED C#CC1(O)CN(S(=O)(=O)c2cc(Br)cc(-c3nn[nH]n3)c2)C1 1588333225 HREKZKNSCJNZNA-UHFFFAOYSA-N 384.215 -0.002 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ncc(-c3nn[nH]n3)cc2C)CC1 1588354438 MZUJVGREKGBRKI-UHFFFAOYSA-N 382.428 -0.533 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H](C)CNc1ccc(-c2nn[nH]n2)nn1 1588658479 MJLJYKLNOLFOOI-JTQLQIEISA-N 388.436 -0.163 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 1588724386 ZZNUUXRGGXHXON-PEBVRCNWSA-N 386.416 -0.695 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[nH]n1 1602756090 CHAUHLIKSWDLKG-GXTWGEPZSA-N 388.432 -0.378 30 20 GBED C=CCC[C@@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1602833345 KKYADSUDHORXKK-AAEUAGOBSA-N 394.457 -0.023 30 20 GBED CCOC(=O)C1CCN(C(=O)CN(C)c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1639404195 YEOUVHWAKCPSHM-UHFFFAOYSA-N 377.401 -0.817 30 20 GBED CS(=O)(=O)NC1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1672354029 WDXAPKHGNYVYAA-OAHLLOKOSA-N 391.453 -0.398 30 20 GBED CNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1748273391 DCLOXTCBWKSUSF-UONOGXRCSA-N 386.460 -0.458 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cncn3)C[C@@H]21 1784481942 ZREUWIOUIQOYLZ-QEOTZNIISA-N 389.456 -0.143 30 20 GBED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)n3)[C@H]2C1 1787442448 XFEZMSHIZMQDCX-GMOBBJLQSA-N 382.442 -0.201 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4c[nH]c(=O)cn4)[C@H]3C2)c1 1789295911 WMNHCZRQQONIRJ-XEZPLFJOSA-N 396.407 -0.123 30 20 GBED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21)N1CCN(C)CC1 1789798883 VRNAGKOTSIDPFN-XSLAGTTESA-N 391.516 -0.094 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OCC 1797585103 ZBDKCXMLYDNRNW-JHZZJYKESA-N 399.444 -0.768 30 20 GBED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)N1C[C@H]2C[C@H]2C1 1800777502 VCNPEMMJZKXWGR-WDMREZPVSA-N 375.425 -0.996 30 20 GBED N#CCCC(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804345493 YTKXZAMQPBVURN-KEYYUXOJSA-N 398.423 -0.011 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)CCn2ccnn2)[C@H]1c1cccnc1 1813436867 TTWGAFBDFCTPOC-HNAYVOBHSA-N 396.407 -0.143 30 20 GBED Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c1=O 1831881337 LREWBKMLDUKXPR-NRFANRHFSA-N 399.447 -0.131 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1832805364 ZVBKYEWITKNIGI-QGZVFWFLSA-N 393.400 -0.176 30 20 GBED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1837695241 WNTMBQULKOWISQ-IFXJQAMLSA-N 390.440 -0.563 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1840170752 XWTGEPHNSRMGIF-LJQANCHMSA-N 389.456 -0.072 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H](COC)NC(C)=O)C2 1841054652 AKRRFFYIMSIUBW-XHPSBEMXSA-N 392.456 -0.801 30 20 GBED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1847068690 GGAYWLVILSRIER-UONOGXRCSA-N 393.488 -0.608 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NS(=O)(=O)CC 1847782772 FAWAJORIQNCCRQ-AJNGGQMLSA-N 385.486 -0.446 30 20 GBED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 255841361 FUTXNDTWKQKZLB-UHFFFAOYSA-N 383.389 -0.067 30 20 GBED C/N=C(/NCCN1CCN(C(C)=O)CC1)N1CCO[C@@H](c2cnn(C)c2)C1 261683648 DIVBCEQVPNYYOT-QGZVFWFLSA-N 377.493 -0.467 30 20 GBED Cn1c(N2CCN(Cc3noc(C(C)(C)C)n3)CC2)c(C#N)c(=O)n(C)c1=O 268075262 CEJGEIWXZPPQGP-UHFFFAOYSA-N 387.444 -0.042 30 20 GBED Cc1cccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1C#N 269740969 NGUBKXLGUMDMHH-UHFFFAOYSA-N 376.438 -0.022 30 20 GBED CN1C(=O)C(/C(N)=N/OCCCN2C(=O)NC(C)(C)C2=O)=C(N)C12CCCC2 270207077 DGMXIJCWJILKIV-UHFFFAOYSA-N 392.460 -0.007 30 20 GBED COC[C@@H](C)NC(=O)/C(C#N)=c1/s/c(=C\c2cnn(C)c2)c(=O)n1C1CC1 297931780 SUWQZMNBGMSCTD-NTBYBWRLSA-N 387.465 -0.368 30 20 GBED CN1CCO[C@@H]2CN(/C(O)=N/CCS(=O)(=O)N3CCSCC3)C[C@H]21 329978193 HCPMBAUEWYLHMH-CHWSQXEVSA-N 378.520 -0.706 30 20 GBED CC1(CO)CN(S(=O)(=O)CCCS(=O)(=O)Nc2cccc(C#N)n2)C1 349475844 GGOPNHJBKOFQLP-UHFFFAOYSA-N 388.471 -0.271 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 372848742 JAWKOTLWXGQKFE-UONOGXRCSA-N 390.506 -0.241 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCO[C@H](CN)C3)C2=O)cc1 418899197 BQEAZEWMUZFOMN-CVEARBPZSA-N 385.424 -0.644 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@@H](N4CCOCC4)C3)CC2)c1 459911306 VPBDKHLUGIZIAI-QGZVFWFLSA-N 398.467 -0.465 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(CC(=O)OC)c2ccncc2)C1=O 486599189 NWDCDOAUQTUQOW-GOSISDBHSA-N 388.380 -0.047 30 20 GBED COC(=O)CN(CC#N)C(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 518189376 CVSXEKAKYDYPBV-UHFFFAOYSA-N 382.398 -0.552 30 20 GBED N#Cc1ncn(CCNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)n1 560756113 KFFATSMKMLLQLS-UHFFFAOYSA-N 391.409 -0.099 30 20 GBED COCCO[C@H]1COCC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 581401199 WFYGEBVFEDZBPI-HOTGVXAUSA-N 397.453 -0.227 30 20 GBED COCC(=O)N1CCC(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 589414871 ORIFMYGIIYOOCN-UHFFFAOYSA-N 394.453 -0.410 30 20 GBED N#CCNC(=O)COC(=O)CNS(=O)(=O)c1ccc(Br)cc1 795394271 SJDVHOWODUJOMX-UHFFFAOYSA-N 390.215 -0.090 30 20 GBED Cc1cc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c(C#N)cn1 819919026 HGHVGWONASTVTK-AWEZNQCLSA-N 384.483 -0.099 30 20 GBED O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCCN(O)C2=O)C1 820477095 UNYULCYAIYNGLQ-AAVRWANBSA-N 396.444 -0.214 30 20 GBED C#CCOCCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O 823856217 MYNYFNAOZVTIRR-AWEZNQCLSA-N 397.395 -0.162 30 20 GBED COC(=O)[C@@H]1CNCCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 843476869 HMYZILBXSBDPOT-LBPRGKRZSA-N 380.426 -0.911 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CC2(COC)CCC2)CC1 872515479 OAOCMAFVMNHIIN-UHFFFAOYSA-N 379.504 -0.782 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2c(C)nn(CCC(=O)OC)c2C)CC1 895915766 JMNHMRMKJQXLHU-UHFFFAOYSA-N 397.501 -0.352 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C(=O)NC)nc2)C1 969110377 TWOSJFJNVAYLNW-OJLVUWQFSA-N 388.424 -0.666 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1O 1023919427 PDPUFGODDLRNQD-HWMZRRJGSA-N 377.445 -0.204 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(CC(=O)N3CCNC(=O)C3)C[C@H]21 1076262638 NWQLAVLVWIAMKW-JJXSEGSLSA-N 376.457 -0.931 30 20 GBED C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)N[C@@H](C)COC 1110385268 SSUFWVXRELSDKZ-YJNKXOJESA-N 382.461 -0.229 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1(N2CCOCC2)CCC1 1111204289 FRYDGOZEFRXBPA-OAGGEKHMSA-N 375.473 -0.397 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCOCCOC 1111490838 CERXJUWYRIFJKR-KFWWJZLASA-N 382.461 -0.227 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 1117338714 TZJAMRDIYWTSAC-KSZLIROESA-N 394.516 -0.394 30 20 GBED C=CCn1c(-c2ncccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1121468492 RBKZSWCWGYHZMO-UHFFFAOYSA-N 398.471 -0.098 30 20 GBED C=CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2OCC[C@H]2CC)C1 1129052382 CZVRTPZALRIZNU-AIANPOQGSA-N 376.461 -0.263 30 20 GBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1c1cncn1C 1131070147 IERILDCTTLQGDC-YYIAUSFCSA-N 387.484 -0.145 30 20 GBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 1193866747 RQMJUUQYYHKGFM-WCXIOVBPSA-N 390.484 -0.922 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2Cc2ccc(C)cc2)CC1 1262391472 NFUKKFAYUDXDKZ-UHFFFAOYSA-N 375.458 -0.381 30 20 GBED CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 1318573221 JHPQMLROODKNMW-AWEZNQCLSA-N 381.410 -0.201 30 20 GBED N#Cc1ccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)s1 1318935280 ISHQDQVAXSXGDW-LBPRGKRZSA-N 396.494 -0.319 30 20 GBED CCN(CCNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)C1CC1 1322239514 FIAJKUKEJXKMBD-AWEZNQCLSA-N 385.472 -0.014 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 1329271729 CRAXPDGFMSKKEU-UHFFFAOYSA-N 390.465 -0.373 30 20 GBED C=CCn1c(CCCS(C)(=O)=O)nnc1N1CCN(CCOC)C(=O)C1 1338963352 KPKRZZBKNZNMSN-UHFFFAOYSA-N 385.490 -0.264 30 20 GBED Cn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1C(C)(C)CC#N 1339035132 HSNNAJNEOUQUKZ-UHFFFAOYSA-N 375.477 -0.013 30 20 GBED C=C(C)Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@@]1(O)CCOC1 1343350898 PYBKPROQOWGGRD-GOSISDBHSA-N 378.477 -0.280 30 20 GBED CS(=O)(=O)N=S1(=O)CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 1351373271 DSSNDSILHVSBGE-UHFFFAOYSA-N 378.457 -0.615 30 20 GBED C=C[C@@](C)(O)CC(=O)N1C[C@H](O)[C@H](NC(=O)CCCCCc2cnn[nH]2)C1 1575073433 PLEUSHSXRKDJSD-RVKKMQEKSA-N 379.461 -0.077 30 20 GBED C=CCCC(=O)N1CCN(CCNC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)CC1 1575085306 IJYMOBHWCZFAPC-KRWDZBQOSA-N 389.504 -0.004 30 20 GBED C=CCn1cc(C(=O)N[C@@H](C)C2CN([C@@H](C)C(=O)NCc3cnn[nH]3)C2)nn1 1575112195 QPEORDDIHFQQNF-RYUDHWBXSA-N 387.448 -0.663 30 20 GBED C=CCCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[nH]n3)n2)C1 1588608385 LHJXQGYLLLTMFO-SJCJKPOMSA-N 388.432 -0.305 30 20 GBED C=CCCO[C@@H](C)C(=O)N1CCO[C@H](CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1588609077 UCNWHVQQIPNYAX-QWHCGFSZSA-N 388.432 -0.301 30 20 GBED N#CC1(C(=O)O)CCN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 1608173029 RPONIWWRGSISOJ-UHFFFAOYSA-N 390.400 -0.036 30 20 GBED COC(=O)[C@H]1C[C@@H](O)CN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1636046260 QYXJFJRAOQBENH-NQBHXWOUSA-N 395.437 -0.362 30 20 GBED C[C@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1781246610 GCQXNLNIPWJQQU-OXJNMPFZSA-N 391.468 -0.351 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncnn3C)[C@H]2C1 1785847451 XMZRNVNFTOCRDG-QPSCCSFWSA-N 375.429 -0.553 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@H]2C1 1786674701 NRLLOMPCABADEW-GVRJEKJASA-N 379.457 -0.164 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786704447 RBHHEQATKWIZNI-PWNZVWSESA-N 382.417 -0.666 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CN)[C@H]2C1 1786779455 PKDVWHMIBTZYFZ-JQCNWOQKSA-N 378.473 -0.581 30 20 GBED C[C@H](Cn1ccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077971 OFZTWQHINLKMST-UGUYLWEFSA-N 388.424 -0.413 30 20 GBED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CC(=O)NC1=O)C2 1793561793 IZPMDURYNSMRSV-YIYPIFLZSA-N 376.413 -0.785 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1 1795439792 IQRLLUVYZAQELZ-JLVBRIDZSA-N 383.514 -0.173 30 20 GBED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=N)N)c1 1795535244 HQCJOEMADQARBC-HGKCTWBKSA-N 398.467 -0.436 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)[C@@H](C)CC 1795544353 NJZAUFBQTOLQOS-FVMXBRIOSA-N 392.500 -0.192 30 20 GBED CC[C@@H](NC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1795721884 RNHSZPKQUGKGFF-QKPAOTATSA-N 379.505 -0.144 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1 1796326263 KPGLNXAZPGONJU-CLWJZODNSA-N 397.431 -0.622 30 20 GBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N1CCCC1 1796440753 OFLKIEAIFCNXFS-XOIINTDNSA-N 385.486 -0.422 30 20 GBED C[C@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1799285749 QIMSEEKZBVFEIK-KUZCPNRJSA-N 384.436 -0.175 30 20 GBED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2)C(F)(F)F 1800547881 OHMJUCAAPYOQKZ-PTEHBNRSSA-N 392.378 -0.034 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nn[nH]c3c1)C2 1800779178 XJALZBQASUTTSZ-DPIQGUFMSA-N 383.364 -0.751 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1803650429 LCXHLWMAAQDLQA-WWGRRREGSA-N 386.364 -0.716 30 20 GBED Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)n1 1833083956 SKVXLXRPHZRXNH-GOSISDBHSA-N 375.429 -0.048 30 20 GBED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccncn3)CC2)CC1 1835146820 IINSAIZYJUKRGV-UHFFFAOYSA-N 385.424 -0.250 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H](NC)C(=O)O)CCO2 1835766421 NREPUMNCEIRBAM-HNAYVOBHSA-N 395.456 -0.691 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CN)C2)C1 1837397917 XOEPFMBVFNVBHY-ZRGWGRIASA-N 383.489 -0.389 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1839224773 OMRPZUFQAUZUBQ-JTDSTZFVSA-N 394.472 -0.228 30 20 GBED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)n1ccnn1 1839707262 NXQAMDAMDMWGAU-KSSFIOAISA-N 388.428 -0.401 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840051265 TZGSIUFQCXXSAA-BKEDOTJMSA-N 392.408 -0.902 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1840161627 WGBGFWQLVWGOQR-BZNIZROVSA-N 398.489 -0.906 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(C(=O)OC)CC1 1847261525 JFVJTCNZJNTDOS-MRYXHSKJSA-N 375.425 0.000 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](CNC(C)=O)C2)c1=O 67382592 UUNUSIGDSCGOPQ-HNNXBMFYSA-N 377.445 -0.651 30 20 GBED Cn1nc(Br)c2c(=O)n(CC(=O)N3CCOC[C@H]3C#N)cnc21 175891646 LWXIKOINYIZBEP-MRVPVSSYSA-N 381.190 -0.357 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(S(C)(=O)=O)CC1 280874833 WWLXQYQCOFITQJ-LLVKDONJSA-N 385.467 -0.082 30 20 GBED C[C@H](CN1CCN(C)CC1)/N=C(/O)N1CCC[C@](O)(C(=O)N2CCCC2)C1 329134448 QBHARSMEGMSQCW-VQIMIIECSA-N 381.521 -0.014 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCOCC(F)(F)C1 349487813 DBMPCYQMUHTYJW-JTQLQIEISA-N 375.419 -0.495 30 20 GBED CN1CC[C@H](N(C)S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)C1=O 349488119 ZBBCZMMXVLBQCA-LBPRGKRZSA-N 394.519 -0.567 30 20 GBED COc1cc(NC(=O)CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc(OC)c1 409497491 FBWQCFKEDLLNFV-AWEZNQCLSA-N 384.414 -0.299 30 20 GBED COC(=O)c1cn([C@H]2CCCN(S(=O)(=O)N3CCO[C@H](C#N)C3)C2)nn1 409500204 NLIPGZOKPQQQEK-NWDGAFQWSA-N 384.418 -0.829 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@H](C(N)=O)O2)CC1 525986744 SLCOJNFQTNZYSB-ZIAGYGMSSA-N 392.437 -0.576 30 20 GBED CN(C(=O)CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C1(C#N)CCCCC1 532709296 ZWZZLKFXGQDYPD-HZPDHXFCSA-N 398.529 -0.241 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)NCCCN2CCC[C@H](C(N)=O)C2)CC1 567299257 KIJFFUFQSVQRDO-INIZCTEOSA-N 393.532 -0.153 30 20 GBED C[C@H](C[S@](C)=O)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N 568255947 PSWQRCFCZCZQRX-XFNZEKPQSA-N 393.512 -0.124 30 20 GBED Cn1[nH]c([C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)nc1=N 570456114 KSAYBTRZZRFBFP-ZDUSSCGKSA-N 389.441 -0.259 30 20 GBED C[C@H](CC#N)NS(=O)(=O)c1ccc(S(=O)(=O)N=c2nc[nH]n2C)cc1 570986028 YNCLJXDRASCDIT-SNVBAGLBSA-N 384.443 -0.382 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)C3CC3)CC2)cc1 582135669 ICLNWDRLYRKKIQ-UHFFFAOYSA-N 376.438 -0.083 30 20 GBED C[C@@H](CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C(=O)O 594542511 DPDIBXYQANFCRT-JTQLQIEISA-N 375.385 -0.091 30 20 GBED CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N[C@@H](C#N)CO 597749542 KSVWPPFDOMLSSV-NHYWBVRUSA-N 383.426 -0.239 30 20 GBED C=CCn1c([C@@H]2CCO[C@H]2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 647370579 ZHNLPDWGWJMZGX-UONOGXRCSA-N 387.448 -0.308 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)CC1 728530720 PKIUMIVPKXOPFK-AWEZNQCLSA-N 389.456 -0.867 30 20 GBED C#CCNC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1cn(C)cn1 756095132 ASNBFKFTPYHPLD-UHFFFAOYSA-N 375.410 -0.300 30 20 GBED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H](CO)NC(N)=O)c1 765472646 YLEMIFXKRHXZEA-ORVAQUOPSA-N 383.430 -0.533 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)C[S@](=O)c2cccc(OC)c2)CC1 819238480 GPMPTTICGOXBKY-SANMLTNESA-N 377.466 -0.304 30 20 GBED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCNCC2)c1 841144366 FZXHDAMJLPSYNQ-HMMYKYKNSA-N 393.469 -0.130 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@H]2OC)nc1 944091050 NBCMLFHSIQGOKP-YALNPMBYSA-N 384.436 -0.257 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C(C)(C)N2CCOCC2)C1 968906495 XNUKMFOOCBIVAF-WCVJEAGWSA-N 381.473 -0.624 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc3n(n2)CCCO3)C1 969282475 URBZMXGWJXZNLH-RZFFKMDDSA-N 376.413 -0.442 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2c(C)nn(C)c2OC)C1 970808005 ZBXYBQMYHAQRNE-MQYQWHSLSA-N 378.429 -0.370 30 20 GBED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2cnc(C(N)=O)n2)c[nH]1 997031213 ZDZLQBPYTMZBFZ-AGIUHOORSA-N 382.384 -0.861 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C(N)=O)CC1 1001870962 CQPNPBAMWDVYHM-WCVJEAGWSA-N 379.457 -0.035 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 1024562608 QJZVKDGEBCQRPK-TUVASFSCSA-N 380.445 -0.929 30 20 GBED C=C(Cl)CN1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094659702 LYAXGXICJAAZRV-ZOBORPQBSA-N 389.905 -0.227 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(C)(C)NC(C)=O 1111156391 YZRKZYXRSVYXLF-MCIONIFRSA-N 379.461 -0.366 30 20 GBED C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)n(C)c(=O)n1C 1111489483 AOKVITGQDZHBEV-BMFZPTHFSA-N 376.457 -0.102 30 20 GBED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 1115861885 CXDHOVWUGKCWLK-UHFFFAOYSA-N 399.459 -0.296 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1cccc(C(=O)N(C)C)c1 1323980027 GFLXOPLSOFBBIH-UHFFFAOYSA-N 381.454 -0.278 30 20 GBED COC(=O)NC1CN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 1327242423 DIXJIZKBCFOTON-UHFFFAOYSA-N 389.387 -0.087 30 20 GBED COC(=O)[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 1348829753 HAIGCIMHHIDLLQ-RWMBFGLXSA-N 386.412 -0.547 30 20 GBED C=CCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@@]1(O)CCOC1 1352141905 XFLFMPUMPYOURN-LJQANCHMSA-N 390.488 -0.184 30 20 GBED N#Cc1ccc(N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nc1 1581871258 NJUTVXAUZHPRGY-QGZVFWFLSA-N 379.384 -0.167 30 20 GBED N#Cc1cn(CCC(=O)N[C@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)c(=O)nc1O 1581877097 QIMHLUMKVKNVBD-AWEZNQCLSA-N 392.379 -0.326 30 20 GBED N#Cc1cn(CCC(=O)N[C@@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)c(=O)nc1O 1581877098 QIMHLUMKVKNVBD-CQSZACIVSA-N 392.379 -0.326 30 20 GBED C#C[C@H]1COCCN1C(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 1588330389 AYDULWZESFNYPQ-AWEZNQCLSA-N 375.410 -0.358 30 20 GBED N#CCC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)CC1 1592671235 BAXUZLVUHQVJDC-UHFFFAOYSA-N 379.377 -0.248 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1 1592677109 ZBYLPTJJHPNBMG-UHFFFAOYSA-N 398.427 -0.120 30 20 GBED O=C(C#CC1CC1)N1CC[C@@]2(C1)CN(c1cncc(-c3nn[nH]n3)n1)CCO2 1592766622 PHRWRARBIANILT-SFHVURJKSA-N 380.412 -0.122 30 20 GBED C#CCCCNC(=O)C(=O)N1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C 1602711021 AGJFGFJYXAHPQE-LBPRGKRZSA-N 383.416 -0.777 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCc1ccc(-c2nn[nH]n2)cc1 1602870448 MTFGXTIZKJRYKZ-UHFFFAOYSA-N 392.441 -0.758 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1CCC[C@H](C(=O)O)C1=O 1604815381 RGNSVPXKSMCJDZ-STQMWFEESA-N 386.412 -0.291 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2 1781270285 GICWOSDSXGFRBG-GOSISDBHSA-N 392.412 -0.798 30 20 GBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCNC3=O)CCO2 1785421262 YLAHWRDDUASZIO-LJQANCHMSA-N 385.424 -0.517 30 20 GBED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1792885981 RXERTFMSPPGWFV-XFMPKHEZSA-N 396.444 -0.625 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1793360555 TXCCUNJILMFBCG-LBKYZSNHSA-N 379.457 -0.307 30 20 GBED CC(C)(C)n1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)cn1 1794351320 ULEKQRFFRFGALX-XOIINTDNSA-N 388.424 -0.071 30 20 GBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCNC2=O 1794974855 LDEKOFXIXBJQKO-DYNIEEOBSA-N 393.469 -0.852 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795359784 VADOVXKDZPGMKB-QVHKTLOISA-N 388.486 -0.806 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1ncccn1 1795839797 FIUWXGSULUAXBE-DRXBFXEBSA-N 390.421 -0.754 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCCN1 1799212691 DWVWAGUUMXQOAN-OHPNEJBSSA-N 390.484 -0.424 30 20 GBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1800984041 GHNJBIXPTNGHJC-NJBDSQKTSA-N 393.469 -0.852 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cocn3)C2)C1 1831391344 NRWYPYJYXJOZGA-RDTXWAMCSA-N 377.397 -0.217 30 20 GBED C#CC(=O)N1CC2(CCCN2C(=O)c2cccc(N3CCCNC(=O)C3)n2)C1 1842305525 SWYVLEUULVXBTI-UHFFFAOYSA-N 381.436 -0.142 30 20 GBED COc1cc(OC)c(OC)cc1CNC(=O)Cn1c(=O)c(C#N)cn(C)c1=O 11265074 LZYYCEOMINOUCR-UHFFFAOYSA-N 388.380 -0.239 30 20 GBED CNC(=O)Cn1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cn1 268855940 XOQAVWRMRADGLC-NSHDSACASA-N 390.425 -0.194 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)[C@H](C)O)CC1 270946552 XZZLVQPINUYKLZ-LBPRGKRZSA-N 377.372 -0.172 30 20 GBED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 272896452 YWOQSNHRVLOPCV-UHFFFAOYSA-N 382.485 -0.526 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)CCCN1CCOCC1 274212698 LJTSOGJJNDUSBT-HNNXBMFYSA-N 394.501 -0.089 30 20 GBED COCCN1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1=O 282441976 LAXQJVVTZOUQBK-GFCCVEGCSA-N 380.426 -0.500 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C 290680593 QJNVEKTVDRBRNO-MISXGVKJSA-N 385.467 -0.226 30 20 GBED CS(=O)(=O)C1(C/N=C(/O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 330035484 XJTKBRJMLTUDDG-LBPRGKRZSA-N 379.504 -0.023 30 20 GBED COCC1(O)CN(S(=O)(=O)c2ccccc2S(=O)(=O)N[C@@H](C)C#N)C1 349463526 ZDYSISFBKMLFFE-NSHDSACASA-N 389.455 -0.741 30 20 GBED CN(c1cnn(C)c1)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@](F)(C#N)C1 349505896 UDJBSXMKEZCGDN-CYBMUJFWSA-N 393.466 -0.156 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O 349621638 QMNTTXSBGURBCK-SBJFKYEJSA-N 391.515 -0.417 30 20 GBED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@@H](C(N)=O)C2)CC1 367644631 LNCGZSZLDXKSPN-DLBZAZTESA-N 389.431 -0.279 30 20 GBED C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508479539 AYPTYAHXORAVGZ-OLZOCXBDSA-N 378.433 -0.665 30 20 GBED N#C[C@H]1CN(C(=O)NCCN2C(=O)CNC2=O)C[C@@]12C(=O)Nc1ccccc12 514024423 KKGVVBQHWHUEEN-BBATYDOGSA-N 382.380 -0.407 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)cc1 566486677 LUYHIHOUVGRHHR-AKSBMLQJSA-N 397.478 -0.122 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)c1 581579833 SQJCFGHXKKTLKP-CYBMUJFWSA-N 376.438 -0.036 30 20 GBED CCS(=O)(=O)NCCOC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 731692141 ZYLLFWZZZAUXFA-UHFFFAOYSA-N 375.428 -0.681 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccnn2CC)c1=O 758069980 YJJMLDFJVSQQBW-UHFFFAOYSA-N 385.449 -0.975 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(CCOC)c2)c1=O 758079581 OLVQXWQUZOSMCE-UHFFFAOYSA-N 399.476 -0.586 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCCn2cc([N+](=O)[O-])ccc2=O)C1=O 761398492 RFORTWWOIVELGF-UHFFFAOYSA-N 378.297 -0.724 30 20 GBED Cn1cc(N2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2=O)cn1 787778638 PUVZPNMESXSOOD-UHFFFAOYSA-N 396.411 -0.910 30 20 GBED C#CCCCNS(=O)(=O)c1ccc(S(=O)(=O)N=c2nc[nH]n2C)cc1 848942186 ZQZVVDMLXZBCAE-UHFFFAOYSA-N 383.455 -0.271 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnnn1C 960321854 MWMHLXUEYPAKSA-SYAUCNOPSA-N 375.429 -0.152 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2nnnc2C(C)C)C1 964081542 PUDIJMNDQBHQHQ-MQYQWHSLSA-N 378.433 -0.925 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 967250135 RSNXJQCFSOKJEN-WCVJEAGWSA-N 376.457 -0.946 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1058918902 ONTFFOULDWFHSR-VQHPVUNQSA-N 381.473 -0.038 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@]1(C)CCC(=O)N1 1109683659 WLZRFEKUTUWUBN-OXRQTFEDSA-N 377.445 -0.612 30 20 GBED CS(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)co1 1110577435 JBACFUBABHDPIM-UPJWGTAASA-N 380.426 -0.342 30 20 GBED CO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 1326518554 IVXYBNRKOGMLQA-LERXQTSPSA-N 381.410 -0.159 30 20 GBED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CC[C@H](O)C2)cc1 1329513186 WKTGGLGBKSDUDP-JSGCOSHPSA-N 394.453 -0.506 30 20 GBED CN1CC[C@@H](N(C)C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1=O 1346591126 LMBNMOMLKJGEBQ-CQSZACIVSA-N 381.396 -0.174 30 20 GBED N#Cc1cn(CCNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c(=O)nc1O 1470360785 KCLPWDWFBVSXBW-AWEZNQCLSA-N 381.392 -0.015 30 20 GBED N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@]2(O)CCOC2)cc1 1555990125 DWFSXRNLSBCJGR-LJQANCHMSA-N 398.423 -0.184 30 20 GBED C#CCCCCC(=O)N1CCCO[C@H](CNCC(=O)NCc2cnn[nH]2)C1 1574867155 QJYWQMNQIBOLEZ-MRXNPFEDSA-N 376.461 -0.178 30 20 GBED N#Cc1ncc(NCCS(=O)(=O)N2CCSCC2)nc1-c1nn[nH]n1 1581884295 SXUORYVADOXIAK-UHFFFAOYSA-N 381.447 -0.681 30 20 GBED C#Cc1cncc(C(=O)N(CCO)CCNc2cncc(-c3nn[nH]n3)n2)c1 1588377140 QOLHVPDQAWGCGQ-UHFFFAOYSA-N 379.384 -0.420 30 20 GBED C#CCN1CCC(C(=O)NC[C@@H](C)N(C)c2cncc(-c3nn[nH]n3)n2)CC1 1602717794 BQISSGISDAJJML-CYBMUJFWSA-N 383.460 -0.057 30 20 GBED C#CCN1CCC(C(=O)NCC[C@H](C)N=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1602718624 YNFWUWCTTOERSA-ZDUSSCGKSA-N 383.460 -0.270 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1602721338 FIVUWPGOYWOFAU-WFASDCNBSA-N 382.428 -0.377 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@]2(CC(=O)O)CCCOC2)cc1 1608210176 DDTAPHOKYURFKO-MRXNPFEDSA-N 381.410 -0.023 30 20 GBED CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C#N)CC1 1711417676 PFBYGJGPSKCWDF-UHFFFAOYSA-N 383.478 -0.295 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 1784714512 RJMBLSDLIAXWIZ-UDPNFQSTSA-N 377.441 -0.289 30 20 GBED CN(C)C(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1786741450 KRBBRUVJKIFDHA-UZPFABOCSA-N 393.488 -0.474 30 20 GBED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)[C@@H]1C=CCN1 1787401037 XHANXHOOMDBFDF-RNCJVDDHSA-N 389.500 -0.034 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](N)[C@H](C)CC)C2 1792485193 FMQXXBALYWUXIS-WYVRYXJRSA-N 392.500 -0.192 30 20 GBED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1793379792 APTIHKUZSUOWKL-BAESOJJISA-N 398.485 -0.918 30 20 GBED CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1796322134 QDJZLXJRZUNQSB-XFMPKHEZSA-N 388.428 -0.464 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)cc1)C2 1800774865 PYMUSYWGCIDAGP-DBWKPXFBSA-N 388.376 -0.551 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ncccn4)C3)C2)CC1 1835340587 AYTAMGKGYNFLEF-IBGZPJMESA-N 385.424 -0.221 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1839844475 KLWSMZNSWVPBTA-PASDCYSWSA-N 381.473 -0.622 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1840157995 FKAPZCKSQPJQLE-SUMWQHHRSA-N 380.470 -0.206 30 20 GBED O=C1CN(CC(=O)N2CC3(CCCN3C(=O)C/N=C/c3ccco3)C2)C(=O)N1 1844313646 RSEVVICSBMRBJR-FBCYGCLPSA-N 387.396 -0.546 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)CNC(=O)c1cc(OC)cc(OC)c1 6151583 LSWPJSHVISAPGU-UHFFFAOYSA-N 379.369 -0.011 30 20 GBED CC/N=C(/NC[C@@H]1CN(C)CCN1C)N1CCN(c2cnn(C)c2)C(=O)C1 261758244 OBTZQOOUHZYBOK-OAHLLOKOSA-N 376.509 -0.720 30 20 GBED C=CCNC(=O)CNC(=O)C(F)(F)C(F)(F)C(=O)NCC(=O)NCC=C 271980681 MUWZXHYUINFTQW-UHFFFAOYSA-N 382.314 -0.906 30 20 GBED C[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1S(=O)(=O)N(CC#N)CC#N 349452018 NOHMWCSTPXTCNP-STQMWFEESA-N 398.466 -0.132 30 20 GBED C[C@H]1[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)CC[S@]1=O 349481261 OEWOCYXOEMSXQC-ZBUFRBDWSA-N 399.560 -0.279 30 20 GBED CNS(=O)(=O)c1cccc([C@@H](C)NS(=O)(=O)N2CCO[C@@H](C#N)C2)c1 410119138 QOTDPQXDEXXTGC-YPMHNXCESA-N 388.471 -0.286 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N(CCO)CCN2CCOCC2)n1 437256437 OADLPOKXNPMFGH-UHFFFAOYSA-N 392.460 -0.399 30 20 GBED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1Nc1c(C#N)c(=O)n(C)c(=O)n1C 463073840 ZEHYOBKPAYXNNW-LLVKDONJSA-N 392.441 -0.128 30 20 GBED CN(CC(=O)N1CCN(c2cc(C#N)ccn2)CC1)[C@@H]1CCS(=O)(=O)C1 501667329 UZEJGIRKNJAXHE-OAHLLOKOSA-N 377.470 -0.279 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCCSC 552007612 UQKYVKTWMDEPDR-UHFFFAOYSA-N 391.522 -0.046 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)NCCCCC#N)CC2)cn1C 561361812 XAHMYDZOJPKPGG-UHFFFAOYSA-N 396.473 -0.629 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CC(O)(CC#N)C2)c1 568254369 KOCZYHSESFLSEW-NSHDSACASA-N 384.439 -0.474 30 20 GBED CC1(C)CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CCN1CCO 589413809 GNNZSZFPVGLIEL-UHFFFAOYSA-N 397.439 -0.007 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC(=O)NC2CCCCC2)C1=O 726043355 SOMOJGCMWOTZMT-UHFFFAOYSA-N 394.384 -0.335 30 20 GBED N#CCOc1ccc(CNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)cc1 746207919 YQOWOHLJYCJJGK-UHFFFAOYSA-N 391.409 -0.389 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)CCn3cc[nH]c(=O)c3=O)C2=O)cc1 754438132 NWIUCSTXHIGZCG-HNNXBMFYSA-N 381.392 -0.284 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COc2cccc3[nH]ccc23)CC1 761029415 PDYBEFVPJGSMKF-OAHLLOKOSA-N 392.481 -0.007 30 20 GBED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCn1ncnn1 771571167 KQRBSMZFIXAQMC-ZDUSSCGKSA-N 391.457 -0.057 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 785163117 AOHOHTYOGHUZTB-OKILXGFUSA-N 391.428 -0.777 30 20 GBED C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NS(=O)(=O)CCC#N)C1=O 835411426 JTDHLGIKWFEJGJ-HNNXBMFYSA-N 382.373 -0.048 30 20 GBED CCOC(=O)c1c(NC(=O)NCCn2cnnn2)c(C#N)cn1CCOC 844625201 MLCSAGLUQWRNOL-UHFFFAOYSA-N 376.377 -0.009 30 20 GBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1cc([C@@H]2CCCOC2)[nH]n1 848967151 RSYKNCQVYIKRQW-GFCCVEGCSA-N 390.487 -0.012 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NCCC#N)cc1 849119981 HJAGVGGQPKXBCR-UHFFFAOYSA-N 396.425 -0.161 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnc(O)n1C 960724723 FFUAAAQTVDPPBU-UQOMUDLDSA-N 376.413 -0.231 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@@H]1O 964615233 KVLCDLBAZDTVPR-MQYQWHSLSA-N 388.486 -0.521 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(N3CCOCC3)CCC2)C[C@@H]1O 970706874 ONMYBXQFNGTRBB-NCOADZHNSA-N 393.484 -0.480 30 20 GBED C=CCn1cc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4OCCO[C@H]4C)[C@@H]3C2)nn1 972841076 VEYFSJNORGOTPL-XNISGKROSA-N 375.429 -0.059 30 20 GBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@@H]2C)nn1 988065104 VNCIOUUEDCHUQF-HGTKMLMNSA-N 376.461 -0.098 30 20 GBED Cc1cc(=N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2c2cnn(C)c2)c(C#N)c[nH]1 1047674798 IUGCAAIIYYZRCK-MUQADHOPSA-N 393.451 -0.055 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1nc2ncccn2n1 1110101267 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N#Cc1ccnc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2CO)c1 349514900 GILRGFCBXUCKAJ-ZDUSSCGKSA-N 388.471 -0.128 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN(C(C)(C)C)CC1 349519724 PSYPYJCWODFVJI-UHFFFAOYSA-N 380.536 -0.092 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCN(C)C(=O)C1(C)C 349599000 AIVKBMHGPKYGSD-LBPRGKRZSA-N 394.519 -0.520 30 20 GBED CC1(C)CCN(S(=O)(=O)CCCCS(=O)(=O)NCC#N)CC[S@]1=O 349603516 BKYJLIPRWRGCNL-JOCHJYFZSA-N 399.560 -0.228 30 20 GBED CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1 432208139 MQWQVOTWZQNXFO-UHFFFAOYSA-N 388.471 -0.461 30 20 GBED C[C@H](C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1)c1cccc(C#N)c1 462037724 JQMDZYPISDZYMI-XKQJLSEDSA-N 377.466 -0.036 30 20 GBED CNS(=O)(=O)[C@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 533542064 HPEMRHMXKMYYMY-AWEZNQCLSA-N 385.467 -0.377 30 20 GBED C=CCCOCCNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 533839047 HYFNYDNBNQEIMZ-UHFFFAOYSA-N 379.417 -0.611 30 20 GBED CSCC[C@](C)(C#N)NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 564251199 FPTBTORRHVXFOE-MRXNPFEDSA-N 378.458 -0.025 30 20 GBED C[C@@]1(CNS(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)CCC(=O)N1 571777369 XUQGUBOSHBJNHR-AWEZNQCLSA-N 386.455 -0.565 30 20 GBED CN1C(=O)C[C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1=O 572984861 PUCBDLMKYPTZRH-QWHCGFSZSA-N 383.364 -0.363 30 20 GBED N#CCSCCCN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 745983565 YACIDKXTRSLKNI-CYBMUJFWSA-N 381.545 -0.232 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2cc(=O)n3cc(C)ccc3n2)CC1 761031769 VXUFVEVVLGFXLH-UHFFFAOYSA-N 375.454 -0.412 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21)[C@H]1CCCO1 773798479 UFOYITVRFQXUCN-GOEBONIOSA-N 391.449 -0.219 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)CCO1 800139485 LQNLCUFXUFMCFF-LLVKDONJSA-N 384.380 -0.154 30 20 GBED C#C[C@@H](NC(=O)C(=O)NC1CCN(C2CCN(C)CC2)CC1)[C@H]1CCCO1 804009672 XQHWNIFCEIRWHP-QZTJIDSGSA-N 376.501 -0.042 30 20 GBED CN(C)c1c(C=NNc2ccc(S(C)(=O)=O)cc2)c(=O)n(C)c(=O)n1C 807962618 CQJFABGCAFTCJH-UHFFFAOYSA-N 379.442 -0.001 30 20 GBED O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCCN(O)C2=O)C1 820477097 UNYULCYAIYNGLQ-SYQHCUMBSA-N 396.444 -0.214 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1O 1023919450 QHGFAUDVIBNEHM-XZDPQHSOSA-N 390.440 -0.214 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)nn(C)c2OC)C1 1025749600 ZBXYBQMYHAQRNE-SYQHCUMBSA-N 378.429 -0.370 30 20 GBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1C 1106662028 YSPSAGIEESHCPG-LVQVYYBASA-N 378.473 -0.944 30 20 GBED C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCCCN1CCCC1=O 1110402113 XMNMVNSQYDEXHT-JJXSEGSLSA-N 375.473 -0.004 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 1117178645 KTFIGYCZAUUQLV-OAHLLOKOSA-N 389.456 -0.446 30 20 GBED CC(C)N1C[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1=O 1117223786 VHDQEYGEUJHUEU-OAHLLOKOSA-N 384.440 -0.273 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H](N2CCCCC2=O)C1 1119142331 XNSRLBTVPUZNAR-AWEZNQCLSA-N 385.486 -0.293 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)[C@H](C)C1 1208708007 QBEDQNABEDBHOB-KBUPBQIOSA-N 388.472 -0.028 30 20 GBED COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CCS(C)(=O)=O 1316101581 NBBMZSQDNDSLPW-LBPRGKRZSA-N 384.462 -0.360 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CO[C@@H]3CCOC3)CC2)o1 1319058550 ZWDTUXGDWHGBIV-CYBMUJFWSA-N 378.385 -0.148 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)n1 1323306821 BNHKEEFISMFRCS-MRXNPFEDSA-N 397.439 -0.480 30 20 GBED COC(=O)N1CC(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1323341504 FWXWLAXBWVTZSC-HNNXBMFYSA-N 399.407 -0.658 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCCN2CCC[C@@H]2C1 1323420593 NNSCKUUPHMVVBH-UWZWCOGJSA-N 375.429 -0.674 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1328163470 BBDCDAXKVLVYJW-HUUCEWRRSA-N 393.421 -0.924 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2ccc3c(c2)C(=O)NCC3)CC1 1343328362 RNYXVXVDCSRRIN-UHFFFAOYSA-N 396.447 -0.423 30 20 GBED CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)c1 1349211947 MQAKMSHVJKIWND-YVEFUNNKSA-N 394.453 -0.351 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[nH]n3)nn2)C1 1573351642 UVCKDDFOZRTORP-ZUCKAHLUSA-N 386.416 -0.695 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnn(C)c1 1574954399 KSOWGTWQXDWCKL-AWEZNQCLSA-N 380.416 -0.231 30 20 GBED C#CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)C2CCN(Cc3cnn[nH]3)CC2)C1 1575005204 XCQNJDAGHJFRPV-BPUTZDHNSA-N 387.488 -0.609 30 20 GBED C[C@H](C(=O)NCc1cnn[nH]1)N1CCC(CO)(NC(=O)C#CC(C)(C)C)CC1 1575220429 KZOLWAAQLTXOEM-CQSZACIVSA-N 390.488 -0.198 30 20 GBED C[C@@H](OCc1cnn[nH]1)C(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(C#N)c2)C1 1575857997 MYIOONYKCKDIBJ-DIFFPNOSSA-N 387.400 -0.697 30 20 GBED CN(C)S(=O)(=O)CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@H]1C[C@@H](N)C1 1578420788 VEOXRJNFAFRWKV-ZOWXZIJZSA-N 385.469 -0.184 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3nn[nH]n3)cc2F)CC1 1588353867 KJERRYYFOSNXCZ-UHFFFAOYSA-N 393.404 -0.769 30 20 GBED C=CCCO[C@@H](C)C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCO1 1588608148 GIHLFUVYVRKGIB-QWHCGFSZSA-N 388.432 -0.041 30 20 GBED CC(C)(C)C#CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O 1589067923 IPWJGPXZBMAIPB-OCCSQVGLSA-N 385.428 -0.064 30 20 GBED N#Cc1ccc(C(=O)NCC2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]23)[nH]1 1592690669 QYLCYOYMBTYOIU-VXGBXAGGSA-N 376.384 -0.031 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]1(O)CCN(c2ccncc2-c2nn[nH]n2)C1 1602885296 ABDSTXCBXJJORT-HNJNHCNJSA-N 385.428 -0.090 30 20 GBED C[C@H](C#N)C(=O)N1C[C@@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)[C@H](c2cnn(C)c2)C1 1602981899 MPJSZHXUIXIPLV-KGYLQXTDSA-N 393.415 -0.622 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)C1 1606344064 WZUDTMMTRHTRPI-QGZVFWFLSA-N 399.390 -0.626 30 20 GBED CCO[C@@H]1C[C@@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)[C@@]12CCCO2 1686065445 YONOSWHTRMZFSN-XNJGSVPQSA-N 377.401 -0.154 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779872708 DENAEVULISOAJL-GOSISDBHSA-N 386.412 -0.431 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780334320 JSDQVQPPHNPKED-SCLBCKFNSA-N 388.428 -0.223 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1snnc1C1CC1)CCO2 1783561649 DHDVKDGNTFFMNJ-KRWDZBQOSA-N 390.421 -0.053 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCC(CO)CC3)[C@H]2C1 1785058707 XPTYKBFUIOIVPW-YOTSKQKMSA-N 392.452 -0.147 30 20 GBED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1789955954 ZLXYZWLOLPOMQJ-ABHRYQDASA-N 393.444 -0.357 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1791260238 OLNWIDMDISBFKP-BJDJZHNGSA-N 395.418 -0.991 30 20 GBED NC(=O)c1nccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793260231 KLNDNDNPUJTRML-AGGWBTHJSA-N 383.408 -0.808 30 20 GBED Cn1ccc(=O)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831218095 LWNCIPNHHGQJRJ-OAQYLSRUSA-N 399.447 -0.131 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835250565 UYRZUXSTSRHBHU-INIZCTEOSA-N 387.458 -0.963 30 20 GBED C[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)n1cncn1 1835347629 AECBALZQWPYXSO-KBXCAEBGSA-N 388.428 -0.401 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839871452 IOVIJDMPRPUNNP-BEFAXECRSA-N 377.441 -0.618 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1840106163 ALVJVDPIJRRKOV-FQEVSTJZSA-N 391.468 -0.131 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1840168981 BPBNEAXCTXHXBL-IBGZPJMESA-N 388.424 -0.357 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1841608571 CLVHVWQDHWDFCZ-NSHDSACASA-N 387.400 -0.779 30 20 GBED COC(=O)[C@H](N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cccc(C#N)c1 267620816 QDJRHZPOIVDCPF-IXDOHACOSA-N 393.465 -0.140 30 20 GBED C#CCNC(=O)c1ccc(N2CCN(S(=O)(=O)CCCOC)CC2)nc1 269265196 BNUOLHBKWBXKQX-UHFFFAOYSA-N 380.470 -0.067 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C#Cc1ccc3c(c1)OCO3)C2 276275962 QWGTXUUKHRUECB-UHFFFAOYSA-N 397.391 -0.744 30 20 GBED CCOCCN1CCN(C(=O)/C(=N/OCC(=O)OCC)c2cc[nH]n2)CC1 278022716 QFEZWZJMNHCOTK-CAPFRKAQSA-N 381.433 -0.126 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(CC(=O)NCCC)CC2)C1=O 299585204 VRGKHKNOQGMATG-UHFFFAOYSA-N 393.444 -0.930 30 20 GBED CN1C(O)=N[C@@H]2CN(C(O)=Nc3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC[C@@H]21 328926822 FLJVUDDGEBFONH-NEPJUHHUSA-N 387.400 -0.520 30 20 GBED CN(C1(C#N)CCC1)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@H]1O 349537966 RRUGNTBSXBBCJI-CHWSQXEVSA-N 379.504 -0.083 30 20 GBED CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CC[C@@H](O)C1 349587548 HBJRBAARMHUIBF-OCCSQVGLSA-N 379.504 -0.225 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1CC[C@@]2(CCOC2)C1 349609045 HPXNAFMBCXXGRT-CQSZACIVSA-N 379.504 -0.006 30 20 GBED CNC(=O)[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCO1 364675812 MLGWKFBJKMXMHM-GJZGRUSLSA-N 391.497 -0.096 30 20 GBED C[C@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 378649668 VYCDNGDOPPDRRJ-ZMZPIMSZSA-N 387.371 0.478 30 20 GBED CO[C@@]1(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CCOC1 461731530 VWYYILMEYOUDSP-GOSISDBHSA-N 384.396 0.308 30 20 GBED CC[C@H](C(=O)OC)N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 507402947 NAMUTASAFOEOGJ-CYBMUJFWSA-N 376.417 -0.169 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 509426868 VTSLRUCMBBMKSL-ZDUSSCGKSA-N 387.487 -0.133 30 20 GBED CCC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1)C(N)=O 515171326 PAHMUAUUVYKQDO-ZDUSSCGKSA-N 388.471 -0.237 30 20 GBED CN(C)C(=O)[C@H]1CSCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 517569115 IJYRULCKIWLWHF-CYBMUJFWSA-N 382.467 -0.174 30 20 GBED N#CCNC(=O)CNC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 553807514 NMBMILSGFFCDHW-UHFFFAOYSA-N 379.442 -0.090 30 20 GBED CN1C(=O)C[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1=O 572984862 PUCBDLMKYPTZRH-STQMWFEESA-N 383.364 -0.363 30 20 GBED COCCNS(=O)(=O)c1cccc(CNS(=O)(=O)N(C)CCC#N)c1 609801961 XFMCKGURRGCONS-UHFFFAOYSA-N 390.487 -0.209 30 20 GBED COC[C@H](C)NC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1 727010719 JPWAGEFCZPMMLX-NSHDSACASA-N 376.369 -0.308 30 20 GBED Cn1c(N)c(C=NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c(=O)n(C)c1=O 749809229 COZUNMHXFXEJFF-IBGZPJMESA-N 398.423 -0.057 30 20 GBED C#CCC(C)(C)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 767297552 JEQYNIVTIQVVTP-CYBMUJFWSA-N 376.500 -0.303 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCCS(N)(=O)=O 767634061 DKDDNETWFMOGDW-SNVBAGLBSA-N 375.428 -0.553 30 20 GBED Cc1nc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2ccccn12 771896797 IWBKNVYVXXNYFE-UHFFFAOYSA-N 376.398 -0.647 30 20 GBED COC(=O)[C@](C)(O)CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 777185048 LKGDFGLLRKMRSX-QLJPJBMISA-N 383.426 -0.456 30 20 GBED CN(C)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)CC(C)(C)C#N)n(C)c1 779258172 ZRFCHHNLJPBDFQ-UHFFFAOYSA-N 376.460 -0.115 30 20 GBED C#C[C@@H](NC(=O)C(=O)NC1CCN(CC(=O)NCCC)CC1)[C@@H]1CCCO1 788069717 PSZZTNCJIMXUDQ-CVEARBPZSA-N 378.473 -0.610 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)CC(C)(C)C#N)CC2)cn1C 790035154 PQUQUQAMJYZVLQ-UHFFFAOYSA-N 389.503 -0.086 30 20 GBED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 801287854 JEHUTRYPNXUIHR-KRWDZBQOSA-N 384.440 -0.271 30 20 GBED C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCO2)CC1 802689414 OFOAXXJPCSPMCA-LSDHHAIUSA-N 396.517 -0.178 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(CC(=O)O)c2ccc3c(c2)OCO3)C1=O 817681105 SVXUNSPZILWMMU-UHFFFAOYSA-N 389.320 -0.190 30 20 GBED COC[C@](C)(CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 821680361 HEZJRRULCNBUMO-KRWDZBQOSA-N 397.399 -0.041 30 20 GBED C=CCN(C(=O)CNc1ccc(-c2nn[nH]n2)cn1)[C@H]1CCS(=O)(=O)C1 823899180 ONTSKLQIEWGXSN-LBPRGKRZSA-N 377.430 -0.125 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccnc(N3CCCCC3)n2)CC1 831561541 ZGZCIECFJHUYOJ-UHFFFAOYSA-N 392.485 -0.308 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@H]1OC 946820106 PCDNDTVBNQXTLN-LUYZLQTOSA-N 390.440 -0.040 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CCn3ncn(C)c3=O)C[C@H]21 975261499 JNBKLMGXCQMKAM-FPCVCCKLSA-N 389.456 -0.378 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 1057725744 OZYHOLNQADVHOO-DLTWYDFYSA-N 381.473 -0.181 30 20 GBED C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CCN(CC#N)CC2)C1 1070372261 ZOTQGNAMDCUFRQ-DRRHNWJESA-N 375.473 -0.100 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC(=O)NCC 1110469823 TVQSURNPARBMLW-SYQHCUMBSA-N 379.461 -0.366 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCNC(=O)[C@@H]1CCCO1 1111508976 NWJQSRNTLNUMPI-WCVJEAGWSA-N 376.457 -0.857 30 20 GBED C=CCN1CCC(NC(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1261214104 KPXKJHUDMKBHKR-HNNXBMFYSA-N 386.518 -0.028 30 20 GBED CSc1nc(O)c(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1C#N 1317889171 XMRSNRQZVGAILN-UHFFFAOYSA-N 389.437 -0.056 30 20 GBED C=C(C)COCCNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 1323604651 XBPXTYXEEGJIDB-UHFFFAOYSA-N 380.489 -0.292 30 20 GBED COC[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C[C@H](C)O1 1335898175 BJKLXCGZBJUKCY-YOEHRIQHSA-N 387.440 -0.136 30 20 GBED COc1cccc(CCNC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 1340423529 SVBVFVCNAZBZOP-WUKNDPDISA-N 386.408 -0.004 30 20 GBED Cn1c(CCCCC#N)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1344604104 WFNYICITWWLQON-UHFFFAOYSA-N 389.460 -0.441 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCO1 1344643302 JWWKGRZURMOKMK-AWEZNQCLSA-N 387.396 -0.998 30 20 GBED CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cc1 1349195144 ZCGVSRIRXGKLNV-PXAZEXFGSA-N 394.453 -0.351 30 20 GBED CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1552888502 UWJLZBMGQPQTPL-IAQYHMDHSA-N 399.452 -0.437 30 20 GBED C=C[C@](C)(O)CC(=O)NCC1=CCN([C@@H](C)C(=O)NCc2cnn[nH]2)CC1 1575071799 CQIDQDBHIHECOC-UGSOOPFHSA-N 376.461 -0.115 30 20 GBED C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cncc(-c3cnn[nH]3)c2)C1 1575074985 YWHIVFXGAUJPIP-KRWDZBQOSA-N 386.412 -0.503 30 20 GBED N#Cc1cncc(NC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCO2)n1 1581883086 IZIYBSPBLRFNBV-LBPRGKRZSA-N 380.372 -0.190 30 20 GBED C#CCn1ccc(CN(CCOC)C(=O)NCCn2cnc(-c3nn[nH]n3)n2)n1 1588364166 XNJKCKOSLOKPDD-UHFFFAOYSA-N 399.419 -0.854 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)c1nc(C)cc(-c2nn[nH]n2)n1 1602794154 JFWZHJFNZWYPLO-YVEFUNNKSA-N 390.448 -0.452 30 20 GBED C=CCOCC(=O)N[C@@H]1CN(Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O 1602869340 CFSGGSAXEADVPH-CABCVRRESA-N 376.392 -0.130 30 20 GBED CC(C)(C)OC(=O)N1CCO[C@](C(=O)O)(C(=O)N2CC[C@](O)(CC#N)C2)C1 1602892083 DWTRGUJCJRGOMN-SJORKVTESA-N 383.401 -0.046 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1nnc2n1CCOC2 1606338233 SHCNLADEONJGQX-ZDUSSCGKSA-N 379.384 -0.013 30 20 GBED COC(=O)[C@@H]1C[C@@H](C(=O)O)CCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 1606369750 GQFKYXWVRCZMDX-XHCVWTGESA-N 379.369 -0.232 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)O)c2ccc3c(c2)CCO3)C1=O 1609373530 DTXCRYZXOYKRKZ-AWEZNQCLSA-N 387.348 -0.160 30 20 GBED N#Cc1cc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cs1 1618484906 KNDCKXRMXTYLLD-ZDUSSCGKSA-N 396.494 -0.319 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1779311534 WFHFMRCIXDORJX-SIXWZSSISA-N 395.456 -0.994 30 20 GBED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1783887029 RZDMILMLDSPDMA-MGPLVRAMSA-N 380.426 -0.063 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)N4)C[C@@H]32)c1 1789342980 XTUBNIMJHOWZMI-YXWQFLTLSA-N 385.424 -0.242 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C[C@@H]21 1790794849 VILBLFPQAKSEBD-LLLHUVSDSA-N 387.440 -0.930 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(Cl)nc1 1792371484 MPTCLRFCQKBXJN-GNXNZQSNSA-N 378.772 -0.579 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccccc13)C2 1800778383 RANZGVNPMJNDPL-IVWMJMPLSA-N 382.376 -0.375 30 20 GBED C#CC(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1812526852 PVHWFNFUXAPBDN-BBRMVZONSA-N 380.341 -0.555 30 20 GBED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1830638856 CXXZWNYEEYAXRA-IBGZPJMESA-N 393.488 -0.306 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1831393920 RSLYCYVSHPUWHR-SCLBCKFNSA-N 392.412 -0.776 30 20 GBED COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1833506253 WWUOWHAMIMRNSA-SFHVURJKSA-N 389.412 -0.141 30 20 GBED CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1834771707 VACMJTXJEYYWLI-QWNKOJSDSA-N 379.413 -0.134 30 20 GBED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)Cn4cnnn4)CC3)CC2)CC1 1834874999 DOGXIEDLFSIKOI-UHFFFAOYSA-N 386.460 -0.452 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cncn4)CCO3)C2)C1 1836130337 IYODGPNGTBDPOX-GOSISDBHSA-N 375.429 -0.299 30 20 GBED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1839889942 XTMNYTYRIQULHP-BBRMVZONSA-N 389.399 -0.211 30 20 GBED CC1(C)CC(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840043934 DBIQNENMXDLZGI-IBGZPJMESA-N 378.425 -0.033 30 20 GBED CC1(C)CC(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)C1 1840043935 DBIQNENMXDLZGI-LJQANCHMSA-N 378.425 -0.033 30 20 GBED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)n1cncn1 1840416985 BTATVIUFELMNDM-KBXCAEBGSA-N 388.428 -0.401 30 20 GBED Cc1nn[nH]c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813470 BAGWLZJBXRNXJZ-SFHVURJKSA-N 388.428 -0.123 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nnnn2Cc2ccccc2)c1=O 31751623 PPNWEJTZEIICJZ-UHFFFAOYSA-N 381.396 -0.373 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN1CCCS1(=O)=O 268130318 MHKQSGLPILWDRR-ZDUSSCGKSA-N 393.473 -0.396 30 20 GBED CN(Cc1cccc(C#N)c1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 280950891 JRBLUULGNLWQGK-NVQRDWNXSA-N 396.407 -0.054 30 20 GBED COC(=O)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 298098184 KFJOAOOEFAUHSK-GFCCVEGCSA-N 383.382 -0.943 30 20 GBED CCc1c(/C(O)=N/C[C@@H]2CN(C)CCO2)cnc2c1c(=O)n(C)c(=O)n2C 328691360 RHXSYWZSTCOSNZ-LLVKDONJSA-N 375.429 -0.170 30 20 GBED C=CCn1c(Cc2noc([C@@H](C)NS(C)(=O)=O)n2)nnc1N1CCOCC1 348335031 BBWDSWFPBMGEIZ-LLVKDONJSA-N 397.461 -0.115 30 20 GBED C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)N[C@@]1(C#N)CC1(C)C 349460176 GGQBJJDEWBZVIE-YRGRVCCFSA-N 379.504 -0.227 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 349470999 DBTLWMKGRTWCGO-STQMWFEESA-N 392.503 -0.766 30 20 GBED CN1CC[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)NC3(C#N)CC3)C[C@@H]21 349472920 XOOXCNPEVOZZBG-OLZOCXBDSA-N 376.504 -0.682 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](F)C2)nc1 349525104 QPHLTZQOMCQUGE-GFCCVEGCSA-N 376.435 0.459 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 349525869 RZOZZPZKFSHJCD-STQMWFEESA-N 392.503 -0.766 30 20 GBED C=CCOc1cccnc1C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 471321277 GRHATDLKHOYBSH-ZIAGYGMSSA-N 381.454 -0.438 30 20 GBED COC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)C#N)cc1 520839457 FNVRAXPEAZKAOQ-NEPJUHHUSA-N 391.471 -0.495 30 20 GBED N#Cc1cccc(CNC(=O)CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 532706537 WWDFQEUOPZBVAT-IRXDYDNUSA-N 392.481 -0.738 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(CCCO)C2)c1 570594758 FRPCGTKTDLWEIZ-OAHLLOKOSA-N 380.470 -0.200 30 20 GBED N#Cc1ccncc1N1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)CC1 579545492 VNRNZWXLLFQWPA-UHFFFAOYSA-N 385.471 -0.950 30 20 GBED CCN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1=O 580117128 CJZLEMAKTCJOLX-MRXNPFEDSA-N 397.435 -0.534 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2nc(CC(N)=O)cs2)c1 590650242 NDLXAELLDNXQSQ-UHFFFAOYSA-N 379.423 -0.040 30 20 GBED CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)c1C 592302957 YGUOAFUYMKJDJG-INIZCTEOSA-N 380.426 -0.281 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)c1 598769576 FGATUJZLOROVKO-ZFWWWQNUSA-N 376.438 -0.036 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CCn2cnc3ccccc3c2=O)c1=O 604930773 JFAQIUWBVCMUBQ-UHFFFAOYSA-N 381.392 -0.046 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N[C@H](CO)c2nc(-c3ccccc3)no2)CCO1 619710415 GNSMZYNKXYHNRQ-QWHCGFSZSA-N 379.398 -0.171 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)cc1 658456978 ZSZBVIVKURABAP-UONOGXRCSA-N 395.437 -0.531 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)/C(=C/c2ccccc2)n2nnnc2C)CC1 728534302 ZWXUWSVNSFBCHV-JXAWBTAJSA-N 393.451 -0.127 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H]2CN2CCOCC2)c1=O 743375101 MBTZGURZJXRPEU-INIZCTEOSA-N 391.472 -0.702 30 20 GBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)NC1(C#N)CCCCC1 756753332 IVFMIAONIYSNAI-LBPRGKRZSA-N 397.457 -0.027 30 20 GBED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)o2)c1=O 758076626 PVBXNNHAMCHUMC-UHFFFAOYSA-N 383.429 -0.194 30 20 GBED CN(C)c1c(C=NNS(=O)(=O)Cc2ccccc2)c(=O)n(C)c(=O)n1C 807966926 SXTBBIBZZBDAMT-UHFFFAOYSA-N 379.442 -0.397 30 20 GBED CN(C)c1c(C=NNS(=O)(=O)c2ccc(F)cc2)c(=O)n(C)c(=O)n1C 807976551 NYYHOPFLYUXIEV-UHFFFAOYSA-N 383.405 -0.399 30 20 GBED COc1ccc(CNC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)cc1C#N 809501109 AGQIOLDWHZHBMU-UHFFFAOYSA-N 380.426 -0.713 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C 814250311 NMTQLOQVYQQKMH-UHFFFAOYSA-N 379.392 -0.286 30 20 GBED C=C[C@@H](O)C(=O)OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 814548320 SMVXVDLCLLZIIS-CJNGLKHVSA-N 390.392 -0.413 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@H]1CCCO1 817838836 SVVOFYHSKDJSKM-DZGCQCFKSA-N 387.396 -0.065 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1cn(CC(=O)O)nn1 820148538 OFXIXTSTZSDRIL-SNVBAGLBSA-N 393.381 -0.355 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC2(C(=O)O)CCC(C(=O)OC)CC2)C1=O 833376487 WWEXFYMCKXQNTK-UHFFFAOYSA-N 395.368 -0.734 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H]4COC(=O)N[C@H]4C3)CC2)nc1 843243151 BAEDCILWGJTZSZ-CABCVRRESA-N 398.423 -0.441 30 20 GBED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N[C@H]2CCCN(O)C2=O)C1=O 848135334 BSQQABGDDBICCY-SGTLLEGYSA-N 390.396 -0.041 30 20 GBED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC#CCN(C)C)CC2)cc1 913517008 OWPCUVSTSRYXPR-UHFFFAOYSA-N 392.525 -0.017 30 20 GBED Cn1c(=O)c2c(ncn2CC(=O)[C@H](C#N)C(=O)Nc2ccccc2)n(C)c1=O 916899428 OSXZHXOFOGOGKT-LBPRGKRZSA-N 380.364 -0.219 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 982156034 YMLDPUDMTSXBMW-JJXSEGSLSA-N 379.457 -0.163 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(C)cc2=O)C1 1024182989 FAZBYYJFYBQWSN-WNOSKKOXSA-N 375.425 -0.414 30 20 GBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 1041426014 LILVDEQVUCZQET-KKOKHZNYSA-N 387.318 -0.640 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2cc(=O)n3nccc3[nH]2)C[C@H]1O 1077019621 ZJUKINJNNQBSKV-FPCVCCKLSA-N 387.440 -0.335 30 20 GBED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 1093056184 MSPLGZBUFWPUEK-ZRJCITRHSA-N 378.458 -0.098 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCN(C)S(C)(=O)=O)nn1 1109812707 LMVXKNWUAXYZMW-IPYPFGDCSA-N 382.490 -0.309 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@H]3CCCNC3=O)C2=O)cc1 1261403071 ZPMZNXSRTPRGQB-ZBFHGGJFSA-N 397.435 -0.188 30 20 GBED CN1C[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1=O 1322649948 NYBBLKIPYOVXBC-UKRRQHHQSA-N 383.408 -0.483 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NC[C@@H]1COC2(CCCC2)O1 1323121420 SKFLTQCUYJHEJE-DKASORFFSA-N 392.412 -0.569 30 20 GBED Cc1cc(N2CC[C@@H](NC(=O)C(=O)NC3CCN(CC#N)CC3)C2=O)n(C)n1 1323254003 IMAGNZNRNQQWAC-CQSZACIVSA-N 387.444 -0.946 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCC(C(=O)NCC(=O)OCC)CC1)[C@H]1CCCO1 1324238192 DLFPQWNJGXSWLT-HUUCEWRRSA-N 393.440 -0.799 30 20 GBED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCS(=O)(=O)N1CCOCC1)CC2 1324466618 IOVSXVLFWYTSQU-UHFFFAOYSA-N 392.437 -0.774 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 1328814685 ATFHAWBWIRJSSA-HUUCEWRRSA-N 387.502 -0.537 30 20 GBED C=C(C)Cn1nnnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 1333942341 AHJCAQRZFJKMHB-KBPBESRZSA-N 385.494 -0.275 30 20 GBED Cn1cc(S(=O)(=O)NN=C2CCCc3nc(O)ccc32)c(=O)n(C)c1=O 1334242271 CMONUMIUWCSOAU-UHFFFAOYSA-N 379.398 -0.797 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C2CCN(C(=O)OCC)CC2)CC1 1336041763 SDYMBROEGUYADO-UHFFFAOYSA-N 386.474 -0.533 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)N[C@@H]1CCS(=O)(=O)C1 1340246235 PXTWXLWHSDNHOW-QWHCGFSZSA-N 378.458 -0.838 30 20 GBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1341315931 IGJPUBFKPXHBIG-CYBMUJFWSA-N 389.460 -0.759 30 20 GBED CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC(CC#N)CC2)CC1 1344803411 YZSKNVABXJGOCI-INIZCTEOSA-N 375.473 -0.096 30 20 GBED C=C(C)Cn1c([C@@H]2CNC(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1356103599 ZMDJCJAADYPWFK-QWHCGFSZSA-N 387.444 -0.070 30 20 GBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1ncc(-c2nn[nH]n2)cc1F 1573286244 XABSXFVVHKTDIN-AAEUAGOBSA-N 391.407 -0.305 30 20 GBED CN[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1578585516 YHVGCPIXGCZYDE-MGPQQGTHSA-N 399.521 -0.185 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2F)C[C@H]1O 1588505662 ULKWYKAAGSNVHS-HSMVNMDESA-N 377.380 -0.606 30 20 GBED C=CCCOCC(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@@H]1O 1588616368 FJJIACMXCVOMSC-OCCSQVGLSA-N 388.432 -0.386 30 20 GBED N#CCSCC(=O)NC1(CNc2nccnc2-c2nn[nH]n2)CCOCC1 1592679408 PPUBUDIDUQYTMN-UHFFFAOYSA-N 389.445 -0.009 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN([C@H]3CCN(CC(=O)O)C3=O)CC2)cc1 1594625323 MHIRYAUCWNZJPT-HNNXBMFYSA-N 392.437 -0.450 30 20 GBED C=C(CCC(=O)O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 1602778161 LJEBPPWFPULBBQ-KBPBESRZSA-N 389.474 -0.094 30 20 GBED N#Cc1cn(CCNC(=O)NC2CCN(C[C@H]3CCCO3)CC2)c(=O)nc1O 1678993740 SSPQVNMBZBUMJD-OAHLLOKOSA-N 390.444 -0.237 30 20 GBED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780338028 WQYCTRRVTRGRJG-KXBFYZLASA-N 385.424 -0.049 30 20 GBED CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)S)C1)C(=O)O 1782181425 MPJNBKLOTHOIFH-IPJQOSJUSA-N 387.502 -0.119 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1783173919 QACAUIHIAFYWMJ-IFXJQAMLSA-N 393.488 -0.377 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3CN1)CCO2 1783562744 QUPKVAIHTRSEIE-DYESRHJHSA-N 397.431 -0.381 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1783562752 RDAMGTZPOXOZLH-KRWDZBQOSA-N 390.421 -0.513 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(C)n3)C[C@@H]21 1784500936 FMVLBAIIRGNYJR-QPSCCSFWSA-N 377.445 -0.001 30 20 GBED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)CNC4=O)CCO3)C2)CCC1 1785363235 JQCOMQXVZVIYPR-SFHVURJKSA-N 389.412 -0.938 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC=O)[C@H]2C1 1789878285 ZLRJMEYLUGBMTM-UVPYHEFZSA-N 381.473 -0.326 30 20 GBED CCOC(=O)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)CC1 1790721467 QUKMVSPJRUXDPG-IHRRRGAJSA-N 392.408 -0.603 30 20 GBED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795577738 DGHTXJCGDNFHHJ-AYRXBEOTSA-N 383.518 -0.630 30 20 GBED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N1CCCC1 1796437941 XGEGKLXHOHEOIW-XOIINTDNSA-N 398.485 -0.695 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@](C)(O)CC(=O)O 1801002666 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CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)[C@@H]1C 349528816 YNJBXZAIAQQPLS-RYUDHWBXSA-N 380.492 -0.910 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1 369342810 KLJODFHXVSUNKC-GOSISDBHSA-N 385.468 -0.189 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCC[C@H](N(C)C)C3)CC2)c1C#N 410468351 LYNPJXDHPFGJRV-HNNXBMFYSA-N 387.488 -0.199 30 20 GBED N#Cc1ccc(NC(=O)CCN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 533520142 UZQAUDIZBMIWKV-IAGOWNOFSA-N 392.481 -0.026 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCNS(=O)(=O)N(C)[C@H](C)CC#N 554661711 NNNLSESPPSOMAM-TXEJJXNPSA-N 380.496 -0.877 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3C[C@@H](C)N(C4CC4)C3)CC2)c1C#N 569409261 WCACNGJDZUNWKP-HIFRSBDPSA-N 399.499 -0.010 30 20 GBED CNC(=O)C(C)(C)CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 569763731 WZMZIHUXXGJTBJ-OAHLLOKOSA-N 399.451 -0.336 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCNC(=O)C1(C)C 571701875 YVKNXKQXDDHFMR-UHFFFAOYSA-N 394.519 -0.472 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC2(CC(=O)OCC)CCOCC2)C1=O 598493904 XMSUFCUHKJGMPH-UHFFFAOYSA-N 381.385 -0.418 30 20 GBED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@@H](O)COc1ccccc1C#N 599257932 RELQYYVIVXZDLQ-JKSUJKDBSA-N 395.481 -0.077 30 20 GBED C#CCNC(=O)CN1CCN(C[C@@H](O)Cn2c(-c3ccccc3)noc2=O)CC1 731531544 CNUSULNMXNPGDJ-QGZVFWFLSA-N 399.451 -0.769 30 20 GBED C#CCN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)CC1 733161541 XTTYBBQXRYSLQI-UHFFFAOYSA-N 391.449 -0.132 30 20 GBED C=CCNC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734034515 FAGRMALXXJLLTO-LLVKDONJSA-N 381.410 -0.468 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 800001966 ULWNHXUMGABYDS-ZDUSSCGKSA-N 381.524 -0.473 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1CC 985045562 VRZKFQGXTKZKFQ-TWMKSMIVSA-N 392.500 -0.153 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C 988329684 LUBPVKSXUAVKNI-NDBYEHHHSA-N 376.417 -0.926 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@H]1O 1023916022 LEBVDPXVIVEESV-HZMVEIRTSA-N 379.457 -0.476 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(OC)ncn2)C[C@H]1O 1023957837 BTFBWIQKMQDLFS-NGFQHRJXSA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1O 1023960423 KVLCDLBAZDTVPR-SYQHCUMBSA-N 388.486 -0.521 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 1024633854 YHIMYPSMDBHHOC-TUVASFSCSA-N 386.412 -0.593 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 1025698511 SPSOHEMETNTQDU-QOWREQOWSA-N 376.413 -0.604 30 20 GBED C=CCCn1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1 1043225982 KXAZYPURDDOJBY-NFAWXSAZSA-N 375.429 -0.275 30 20 GBED CN(CCOCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)c1nccnc1C#N 1115272821 YWTARZJEGIWMPG-OFQRWUPVSA-N 375.429 -0.031 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCCCCN2C(=O)c3ccccc3C2=O)CCO1 1117358897 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Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)on1 1791072651 QLMDNTNKXUMTLU-QEJZJMRPSA-N 375.381 -0.407 30 20 GBED Cc1noc(C)c1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791072684 UOZWHEKYTZXYIH-BPUTZDHNSA-N 389.408 -0.098 30 20 GBED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)cn2[nH]cnc(=O)c12 1795420285 DBKCCJHARJXBKN-YWVIFJGQSA-N 398.423 -0.162 30 20 GBED CC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797783819 NSIJJHWVZBNOSS-HGKCTWBKSA-N 391.468 -0.589 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCC(=O)NC2)C3)c1 1798691229 GZOBBPLBXVMMJR-ZJOBFFGXSA-N 385.424 -0.384 30 20 GBED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1)n1cncn1 1798694703 FSUBEKKCGNQEFC-ZIEJDFEHSA-N 383.412 -0.058 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1C)C2 1799395091 CRIUFYFKEJENGI-LFYQSXPISA-N 394.472 -0.002 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc[nH]c3c1)C2 1800777437 SWBVDLLOVIPZQJ-IVWMJMPLSA-N 382.376 -0.146 30 20 GBED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(C)=O)C2 1800995681 VRURFMFUYCBUDG-DFGXFYAUSA-N 379.457 -0.469 30 20 GBED C#CC(=O)NC[C@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1812529020 IKXISVPPDOMFMN-CXAGYDPISA-N 378.392 -0.077 30 20 GBED C[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907588 KZCOFBPEKGIQJT-QRWLVFNGSA-N 387.436 -0.062 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1830054634 VQODBMHULCAHQA-GOSISDBHSA-N 375.429 -0.111 30 20 GBED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC(=O)NC)CCO2 1831281482 WIFAJSUDTSBDCD-LJQANCHMSA-N 379.457 -0.228 30 20 GBED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)CNC(=N)N)CC3)CC2)CC1 1834676674 DBTWJYIQYPIMTC-UHFFFAOYSA-N 375.477 -0.655 30 20 GBED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)N1C[C@H]2C[C@H]2C1 1834761347 ZANLBCNYBLFLKS-JEWRLFTDSA-N 376.457 -0.303 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)CC1 1835407591 GBYVAICSRROZGO-LJQANCHMSA-N 390.440 -0.631 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cnnc3)cc1)CCO2 1835498468 HTVOUXRCFUGUNA-HXUWFJFHSA-N 395.419 -0.030 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1nc(N)n[nH]1)CCO2 1837279603 XTKCMYKBBMYLPR-SFHVURJKSA-N 390.444 -0.811 30 20 GBED Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cn1 1840462675 NFZRNZFYBIBWSQ-FQEVSTJZSA-N 386.452 -0.168 30 20 GBED Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)NCCC#N)[C@H](C)O)cc1C 9083981 OJCUCXWTNROSFE-BBRMVZONSA-N 397.453 -0.096 30 20 GBED C[C@H](N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)Nc1cccc(C#N)c1 265469935 PCDFYRYZYVFZKP-XKQJLSEDSA-N 392.481 -0.027 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1C(=O)CCC1=O 268798480 COXDFLDBRCEPNC-LLVKDONJSA-N 378.410 -0.510 30 20 GBED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)NCCn2cnc(C#N)n2)C1 286722228 GKVYSPHZFGHCSP-CYBMUJFWSA-N 391.432 -0.407 30 20 GBED CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 286877970 HZYXNOIMOZODQN-MOPGFXCFSA-N 398.511 -0.415 30 20 GBED CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 287692972 CZQREAPRAQDGRH-UHFFFAOYSA-N 379.442 -0.847 30 20 GBED COc1ccc(C/N=C(\N)NCCCN2CCOCC2)cc1S(N)(=O)=O 288683500 JAPHJAZRPKMYDS-UHFFFAOYSA-N 385.490 -0.531 30 20 GBED C=CCCOCCNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 289482002 XJXMLCSSYCKDMZ-INIZCTEOSA-N 380.489 -0.150 30 20 GBED CS(=O)(=O)N1CC[C@H](C/N=C(/O)N2CCC(Nc3cccnn3)CC2)C1 328761622 YDUAGVSWMSWMOB-CYBMUJFWSA-N 382.490 0.548 30 20 GBED C[C@H]1CN(/C(O)=N/CCS(=O)(=O)N2CCSCC2)C[C@@H](C)S1(=O)=O 329645599 DJRXSRMFECYLCU-TXEJJXNPSA-N 399.560 -0.214 30 20 GBED CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)N=c1nc[nH]n1C(C)C 348356998 WEISBMOERBNCPD-UHFFFAOYSA-N 377.492 -0.302 30 20 GBED CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc(N(C)C)ncn1 349462157 SGAQEIVBEMMROH-UHFFFAOYSA-N 389.503 -0.041 30 20 GBED Cc1nc([C@@H]2CCN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)C2)n[nH]1 349463036 IJYFKAVYHCRKGC-CMPLNLGQSA-N 390.491 -0.546 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]1C(N)=O 349530885 FQGYGUBPQYGIMP-NSHDSACASA-N 380.492 -0.780 30 20 GBED C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)N2CCSC[C@@H]2C#N)CO1 349579073 SQWMGBSLDIIHAK-AGIUHOORSA-N 397.544 -0.256 30 20 GBED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 374463917 AYYULOZKGVAKPX-ZIAGYGMSSA-N 396.535 -0.305 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 425235996 NNILRRYWKRFYIC-UHFFFAOYSA-N 381.439 -0.023 30 20 GBED C=CC1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 469149633 WJJZKUOESMOKOY-UHFFFAOYSA-N 375.429 0.105 30 20 GBED COC(=O)CCN(C)S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472199899 YMZFLNMHEYNEIR-UHFFFAOYSA-N 384.462 -0.538 30 20 GBED COCCN(CC(=O)OC)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 496831829 PGDGCQWFLRQWGM-GFCCVEGCSA-N 383.426 -0.127 30 20 GBED COc1ccccc1CCNC(=O)CNS(=O)(=O)N1CCO[C@H](C#N)C1 499647674 QYNQKZYRRXKJKG-CQSZACIVSA-N 382.442 -0.587 30 20 GBED C[C@H](C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)n1cnc(C#N)n1 538593405 QYUHKEJTHZZQSI-GFCCVEGCSA-N 375.414 -0.361 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cn(C)c(=O)n(C)c1=O 567247495 ICDUYTBWHJSDOQ-JTQLQIEISA-N 391.409 -0.739 30 20 GBED C=CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 568557033 NKMPLAKMVIOARN-UHFFFAOYSA-N 375.491 -0.032 30 20 GBED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 568991714 VNXZRUNSLGYQPA-LBPRGKRZSA-N 381.366 -0.784 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@]2(O)CCOC2)cc1 579972708 HIXJIJGSLXETHB-AWEZNQCLSA-N 389.455 -0.740 30 20 GBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 592925404 UMCGXIDDAHENTA-BNOWGMLFSA-N 395.437 -0.393 30 20 GBED COc1cncc(NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)n1 593630415 NLLRIWKILSXURD-UHFFFAOYSA-N 387.425 0.409 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)CC2)nc1 595266545 UFKKAIGSUCOMIM-CVEARBPZSA-N 383.456 -0.125 30 20 GBED CN(C)S(=O)(=O)N[C@@H](CNC(=O)NCCn1cnc(C#N)n1)C1CCCC1 596713352 OJSLMCFLCWITRT-ZDUSSCGKSA-N 398.493 -0.596 30 20 GBED N#Cc1cccc(CN2CCC(NC(=O)C(=O)NC[C@H]3COCCN3)CC2)c1 599956905 RBSXEHOZTVNZCR-SFHVURJKSA-N 385.468 -0.257 30 20 GBED C=C(C)COCCNC(=O)C(=O)N1CCC(N2C[C@H](C(=O)O)CC2=O)CC1 652653239 IEUYOGITBQJJGQ-CYBMUJFWSA-N 381.429 -0.381 30 20 GBED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 733207896 POFSCQZQOGXHRS-UHFFFAOYSA-N 385.467 -0.516 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)C1=O 773305493 FOGDSIMQECIDMR-UHFFFAOYSA-N 396.400 -0.939 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cn(C)nc2-c2cnn(C)c2)CC1 780608188 JKBBKIKBQXALLB-UHFFFAOYSA-N 383.456 -0.282 30 20 GBED CCN(CCC#N)C(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 786369748 WSEJBIFTUPLHRJ-CZPYZCIJSA-N 377.397 -0.156 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCc3cnccn3)C2=O)cc1 793488120 PLTPLTVNCKNIAP-KRWDZBQOSA-N 392.419 -0.076 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(CC)CCO)cc1 848603211 NQMAFFROWPNYRV-UHFFFAOYSA-N 385.467 -0.163 30 20 GBED COC[C@@H]1COCCN1C(=O)C(=O)N1CCN(c2snc(C)c2C#N)CC1 910896193 JNDPNPXHXLHGDZ-CYBMUJFWSA-N 393.469 -0.154 30 20 GBED CN(C)C(=O)CN1CCN(C(=O)COC(=O)COc2ccc(C#N)cc2)CC1 917222247 AINNOABHJPQXLT-UHFFFAOYSA-N 388.424 -0.287 30 20 GBED C[C@@H](C#N)C(=O)N1CCN(C2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)CC1 967246287 XYYKGKZGPFVWBE-NXNVCVFFSA-N 376.457 -0.447 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C1 968092162 UITVBNSTJFZBNJ-MQYQWHSLSA-N 376.413 -0.721 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(OC)nn2)C1 970557650 IDDGCBWEEBMBPW-AEIGPULVSA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)Cn1ncn(C)c1=O 983891214 FERPMOUBLLPARK-QXSJWSMHSA-N 391.472 -0.084 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc3nnn(C)c23)C1 1024579622 SSDIEAMQFABFOG-MPESAESLSA-N 385.424 -0.139 30 20 GBED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2cc(=O)n3[nH]cnc3n2)cn1 1055365068 NJQQYTZFWDOZBZ-WZRBSPASSA-N 377.368 -0.381 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1074588683 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382.490 -0.138 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)c1 1577709976 KPIHJQJPNMXSFB-HOCLYGCPSA-N 382.428 0.000 30 20 GBED CN(C)c1cc(C#N)cc(C(=O)NCCn2cc(-c3nn[nH]n3)c(O)nc2=O)c1 1604694881 KVXPVTGGJBZFHI-UHFFFAOYSA-N 395.383 -0.503 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](CO)CN1CCCC1 1628964520 OSYBAXCBOFHXNH-UKRRQHHQSA-N 380.470 -0.202 30 20 GBED C=CCNC(=O)NC(=O)CNC[C@@H](C)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1753626714 IJKLWWWLLIDARU-ORIJERBGSA-N 382.461 -0.608 30 20 GBED N#Cc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)c1 1778938362 AIYIHSAJTKXPSU-LJQANCHMSA-N 381.392 -0.122 30 20 GBED C[C@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566393 ABBGNWAEOFHCQR-IFXJQAMLSA-N 386.408 -0.200 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21 1784504239 FRPRIQDLILUTCL-QXKUPLGCSA-N 379.457 -0.307 30 20 GBED Nc1n[nH]c(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)n1 1788504213 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N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1834765868 WTCAIGNACFUGIZ-SFHVURJKSA-N 389.412 -0.351 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(C)(C)O)CCO2)C1 1835260490 CKMUSNMJRDARRK-KXBFYZLASA-N 382.457 -0.358 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)C)CCO2)C1 1835880400 ROQNARYHICAFSW-PXNSSMCTSA-N 395.500 -0.131 30 20 GBED Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cs1 1840041404 LDQAWGPHIICTCZ-QGZVFWFLSA-N 393.421 -0.390 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1840161779 ALLUIHFNNJWDFQ-ZBEGNZNMSA-N 382.442 -0.430 30 20 GBED Cc1nccn1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840163481 IDURBIRSRZXRHI-SUMWQHHRSA-N 382.486 -0.034 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1840840437 SIJFGJBZORBRKT-FQEVSTJZSA-N 387.436 -0.131 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CN1CCOC1=O)C2 1841052922 FDNDLXSDSYNTTP-PLNGDYQASA-N 376.413 -0.500 30 20 GBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cccc(N3CCOCC3)n1)C2 1846195649 ORCFIDIDDQKLAE-UHFFFAOYSA-N 398.419 -0.177 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ccncc3)CC2)c1=O 23848418 FRDBBHCDKBFNIK-UHFFFAOYSA-N 384.440 -0.282 30 20 GBED C#CCNC(=O)[C@@H](C)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 116908430 XYQMYCFWRWXEBB-OAHLLOKOSA-N 378.498 -0.150 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)CCN1Cc1ccccc1 265184156 ZEFOHAZTVVKWGB-INIZCTEOSA-N 395.423 -0.457 30 20 GBED C[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 271178627 WKKWUZAZGHWVHV-FXONDUCNSA-N 382.442 -0.065 30 20 GBED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 275469925 DZQNPVOAPXBHHA-UGFHNGPFSA-N 395.437 -0.250 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C1=O 281853454 YDXDLQBKPXAZQH-TZMCWYRMSA-N 397.501 -0.051 30 20 GBED C[C@H](/N=C(/O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)N1CCOCC1 329814700 NQNNRPLMMKKPLS-SIJPQNPESA-N 379.413 -0.257 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 334020942 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GBED N#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CC(C#N)C2)cc1 594499694 QIXBDLWMJXDGPW-UHFFFAOYSA-N 379.423 -0.131 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cnc3c(c2)c(C)nn3C)CC1 728589359 BYZLKVIKFRPQJR-UHFFFAOYSA-N 390.469 -0.668 30 20 GBED COCCN1CC[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 730787590 MWLYFEBBCZAERL-ZDUSSCGKSA-N 380.470 -0.048 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)C1=O 732786498 CQAYKIQIRAEZAS-VIFPVBQESA-N 390.318 -0.415 30 20 GBED C#CCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 744423000 OZAFHURLDBOINK-UHFFFAOYSA-N 380.470 -0.563 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(OC)c(OC)c2)CC1 761030247 FLYHQEHVWMUSOG-UHFFFAOYSA-N 396.469 -0.273 30 20 GBED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 801287855 JEHUTRYPNXUIHR-QGZVFWFLSA-N 384.440 -0.271 30 20 GBED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)C2CNC2)cc1 841246253 WUQXGETWASIOTM-HKWRFOASSA-N 393.469 -0.132 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCC[C@H]1c1nc(=N)n(C)[nH]1)c1cc[nH]n1 846066880 ICMYMNRLLSKLQO-NSHDSACASA-N 390.404 -0.402 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)CN1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 846981794 WRLSMGYITCSCHC-AWEZNQCLSA-N 393.535 -0.369 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CC[C@H](C(N)=O)O3)CC2)o1 860411974 OLSHHRGZQOHAEF-OLZOCXBDSA-N 391.384 -0.921 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 893231088 SZWCPCWRFFNPQV-RRFJBIMHSA-N 384.502 -0.015 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 898141006 VWSFRKWYURHGHL-MSOLQXFVSA-N 394.516 -0.556 30 20 GBED N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cnc(C(N)=O)n2)c[nH]1 1002140552 AVTNHTOUOCETDP-UPJWGTAASA-N 382.384 -0.861 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)C[C@H]1O 1023941794 BANSQZZHISBAPE-XZDPQHSOSA-N 388.424 -0.537 30 20 GBED C=CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCN(C)[C@@H]3CC)C2)nn1 1023980629 XKGYDFQBVWKTHB-XOSAIJSUSA-N 390.488 -0.114 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NCC(=O)N2CCNC(=O)C2)[C@H](C)C1 1082798661 FUCKJXRMEYLRSN-FSZRXZPDSA-N 378.473 -0.638 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 1109474583 ZNTVFNDNPWJKNE-MQYQWHSLSA-N 377.445 -0.754 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)N1CCCC1 1110553566 XHKOXLJZXZLWQK-JJXSEGSLSA-N 375.473 -0.349 30 20 GBED C#CCNC(=O)COC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 1115915538 KJNMJMYCAVZYSX-UHFFFAOYSA-N 386.451 -0.200 30 20 GBED C[C@@H](C(=O)NS(=O)(=O)c1cn(C)nc1C(F)(F)F)n1cnc(C#N)n1 1117720691 BIDARVINDCTBGI-LURJTMIESA-N 377.308 -0.032 30 20 GBED O=C(NCC#CCNC(=O)c1noc2c1COCC2)c1noc2c1COCC2 1118847942 HJRSFCYLWGWHJS-UHFFFAOYSA-N 386.364 -0.029 30 20 GBED C#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)C1 1128998708 BTUDATZVWVYYRC-DFGXFYAUSA-N 388.472 -0.570 30 20 GBED CC#CCN(C)C(=O)C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1325509827 LNALQKJHDHSOTO-UHFFFAOYSA-N 396.425 -0.187 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)NCCNS(=O)(=O)c1cccs1 1329031407 DBXOGKCJCWTPEO-UHFFFAOYSA-N 387.483 -0.359 30 20 GBED C[C@@H]1OCC[C@]12CN(C(=O)C(=O)N1CCN(C3CC3)[C@H](C#N)C1)C[C@@H](C)O2 1331997607 RDUBRUWETCNRCB-DZASIIFFSA-N 376.457 -0.020 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 1345220511 LZQLPTWCQRHMKQ-INIZCTEOSA-N 390.465 -0.494 30 20 GBED COCC(=O)NC1CCN(C(=O)C(=O)NCc2ccc(OCC#N)cc2)CC1 1346071480 LRNWWKMNCOTBRJ-UHFFFAOYSA-N 388.424 -0.041 30 20 GBED C=CCCOCCn1nnnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1352372774 YHPBADJTIJBMHH-UHFFFAOYSA-N 377.449 -0.463 30 20 GBED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCC1CC1 1509697148 RWQTVCWTCVHUBI-ZDUSSCGKSA-N 375.433 -0.329 30 20 GBED C[C@H](C#N)C(=O)N1CCN([C@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C2)CC1 1573569635 CQWADDUPHKFYOG-OLZOCXBDSA-N 382.432 -0.461 30 20 GBED CN(C[C@H](O)CN(C)c1ccnc(C#N)n1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1579027471 HDBKPFDCWISWSZ-LLVKDONJSA-N 382.388 -0.574 30 20 GBED N#CCSCC(=O)NCC1(O)CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 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C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C3)[C@H]2C1 1790856407 MHIFNXLQOQBOAK-LEOABGAYSA-N 377.441 -0.860 30 20 GBED COC(OC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1793169254 YCMQGFHOVLVACY-XKHVOEOCSA-N 399.444 -0.276 30 20 GBED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1793256986 KMMSEALZIOZNEM-XEMDLRDOSA-N 396.447 -0.186 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCOCC1)CC2 1825664630 NQMSJNMQYOAGRH-NSHDSACASA-N 392.437 -0.525 30 20 GBED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)nn1C 1830949172 IMIBARFQEOOOLX-GOSISDBHSA-N 375.429 -0.359 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1831391957 YHBHWJUBXSMJJB-VQIMIIECSA-N 390.440 -0.622 30 20 GBED CNc1nsnc1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834753366 HRLXGGVGTMGOEH-OAHLLOKOSA-N 380.430 -0.437 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2 1837386160 MQZNCRJQZQLNOD-BEFAXECRSA-N 394.472 -0.436 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CN)C2)C1 1837397913 XOEPFMBVFNVBHY-VCBZYWHSSA-N 383.489 -0.389 30 20 GBED CC(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527290 KRTGCFAZXWGRFA-DKWNYTONSA-N 397.428 -0.439 30 20 GBED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)n(C)n1 1838042116 NOACELUUCBSDTQ-GOSISDBHSA-N 375.429 -0.034 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(c3cnn(C)c3)C(=O)C2)CC1 92619028 RTWLFLKZUVDKMT-QGZVFWFLSA-N 387.488 -0.239 30 20 GBED C/N=C(/NC[C@@H]1COCCO1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261727619 JBXLHYSKQIORIK-CQSZACIVSA-N 387.462 -0.887 30 20 GBED COC[C@@H](C)NC(=O)/C(C#N)=c1/s/c(=C\c2ccnn2C)c(=O)n1C1CC1 298306845 NEBNEQCKJUBUDX-FFEVEACASA-N 387.465 -0.368 30 20 GBED CN(C)[C@@]1(C/N=C(/O)N2CCN(C(=O)CN3CCOCC3)CC2)CCSC1 330073994 KXVDCJXEVJCXBJ-GOSISDBHSA-N 399.561 -0.186 30 20 GBED Cn1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@](F)(C#N)C2)n1 349485699 ATIUXGLWKUTYQK-LBPRGKRZSA-N 379.439 -0.181 30 20 GBED CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](CO)C1 349523213 LJUZUPSKWRJKES-JSGCOSHPSA-N 379.504 -0.368 30 20 GBED N#CCNC(=O)CNC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 377021751 XACYKVCEXOZCDA-UHFFFAOYSA-N 397.432 -0.129 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 410177697 GAEMTKWWPRRRKO-ZDUSSCGKSA-N 380.426 -0.482 30 20 GBED CNC(=O)C1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 468066374 WSTZKGBGAXNBIC-UHFFFAOYSA-N 386.799 0.540 30 20 GBED CCOC(=O)[C@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 469071354 QCCJDRIUMDWZQF-BDJLRTHQSA-N 383.426 -0.345 30 20 GBED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CC(N)=O 532800330 NVCXOHYVFRSBHI-LLVKDONJSA-N 387.465 -0.270 30 20 GBED C[C@H](NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[C@@H]1CN(C)CCO1 589139365 WATUKXLJIPFWEQ-HOCLYGCPSA-N 386.456 -0.563 30 20 GBED CN(C)S(=O)(=O)NCCNC(=O)N1CCN(c2ccsc2C#N)CC1 596614765 XGBUODITQPXDGE-UHFFFAOYSA-N 386.503 -0.153 30 20 GBED NC(=O)CNC(=S)NN=C1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 737753111 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CC#CC[C@H](CO)NC(=O)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1 834456857 JNCZKSQSWZVVRW-CQSZACIVSA-N 382.438 -0.061 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCC[C@@]12CCOC2=O 848957461 KXPQTGPUEOYKFJ-JSGCOSHPSA-N 393.487 -0.291 30 20 GBED C#CCNS(=O)(=O)CCCS(=O)(=O)N1CCCc2nc(C#N)ccc21 848967169 SNMQHBJXBXVQKH-UHFFFAOYSA-N 382.467 -0.022 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CC1 874343329 ZFLXEEZHBRUQPZ-VXGBXAGGSA-N 395.403 -0.897 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccnc(CN(C)C)c2)CC1 880615139 WZIXTTMIZWPFQG-UHFFFAOYSA-N 380.474 -0.240 30 20 GBED C#CC1(O)CN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)C1 890519507 OJOXFHNJLYGWML-UHFFFAOYSA-N 390.465 -0.037 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2nn3c(c2C)OCCC3)C1 966994563 KNEBCYPBHDOOEA-KBXIAJHMSA-N 390.440 -0.133 30 20 GBED Cc1sc(=O)n(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)c1C 1110151807 ATDSQLSXCIXAGO-RDBSUJKOSA-N 377.470 -0.112 30 20 GBED N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)CN1C(=O)CCC1=O 1110301728 KWSCEVZZRBVVQH-SYQHCUMBSA-N 380.470 -0.525 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC(c3ccc4c(c3)CCO4)=NO2)CCO1 1117695983 SIDMPCKPEMCPFW-HUUCEWRRSA-N 384.392 -0.018 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 1120388831 SYTQXPVERFMNJD-OAHLLOKOSA-N 379.438 -0.163 30 20 GBED CCN(CCC#N)C(=O)COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1251197531 YIKRIBFPQJPWEH-STQMWFEESA-N 385.442 -0.673 30 20 GBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CNC(=O)c1ccc(C#N)cc1 1320464065 LQIZMENWRXMCLJ-CQSZACIVSA-N 392.437 -0.950 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1322966554 HJQIOBKDPWDCHX-KBPBESRZSA-N 383.445 -0.107 30 20 GBED CCn1nc(C)c(CNC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)n1 1325973589 KFMVXJNIUGRATG-GFCCVEGCSA-N 397.443 -0.378 30 20 GBED COc1ccccc1N1CC[C@H](NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1=O 1326109272 AYXKSFRNOBJPLS-DJJJIMSYSA-N 386.408 -0.206 30 20 GBED 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20 GBED COC[C@@](C)(O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 576479011 KEUUDRIMEPEDOG-ZDUSSCGKSA-N 377.444 -0.836 30 20 GBED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2F)c(=O)n1CC(N)=O 608911427 FMPIWQPRJPXLRJ-UHFFFAOYSA-N 386.408 -0.684 30 20 GBED C=CCn1cc(C(=O)NCCN2CCN(C(=O)c3cn(CC=C)nn3)CC2)nn1 614908682 IBRGWKAANVWUHK-UHFFFAOYSA-N 399.459 -0.571 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCCn2cnc3ccccc3c2=O)C1=O 735349749 QWPZNHZPQNZIMM-UHFFFAOYSA-N 384.348 -0.084 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)OC)cc1 760206563 YYXMBBMSGQAKCY-HNNXBMFYSA-N 390.421 -0.165 30 20 GBED CN(CCCNC(=O)COC(=O)C#Cc1ccc2c(c1)OCO2)S(C)(=O)=O 761225155 CTFPUIDNDHJTJT-UHFFFAOYSA-N 396.421 -0.292 30 20 GBED O=C(N[C@@H]1CCCN(O)C1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 816755849 KIWLYFMBIAOSCP-CQSZACIVSA-N 383.426 -0.183 30 20 GBED Cc1ccc(S(=O)(=O)O[C@H]2CNOC2)cc1S(=O)(=O)N1CCOCC1 845932813 KYMFPAGZAVDZTN-LBPRGKRZSA-N 392.455 -0.375 30 20 GBED CN(CCS(C)(=O)=O)C(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 850614364 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388.380 -0.179 30 20 GBED Cc1nsc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1C#N 1043791950 WVDNDJLCWQAGPY-IGQOVBAYSA-N 391.453 -0.228 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@@H]1COC(=O)C1 1110443334 HJOOZZXLJGORJN-DGAVXFQQSA-N 378.429 -0.327 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)C(=O)NC(=O)NCC 1110461722 FTKUCUCPRUBUIL-DGAVXFQQSA-N 377.445 -0.918 30 20 GBED CN(C)C(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1261860914 JTALMJADDHORDX-DZGCQCFKSA-N 376.461 -0.553 30 20 GBED C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)C1 1306965190 XDSXHROZIKEIKY-ZIAGYGMSSA-N 388.472 -0.238 30 20 GBED COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1318069144 ODQQVVZCIIFKBJ-UKRRQHHQSA-N 384.392 -0.199 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 1321702586 JOOFAGFAIJMKIB-HNNXBMFYSA-N 388.424 -0.808 30 20 GBED CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)C(=O)N2CC[C@](O)(CC#N)C2)cn1 1326543762 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C#CCNC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H](C)O 18955861 IVPNMVQSAZMVTR-CJNGLKHVSA-N 382.438 -0.376 30 20 GBED Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NCCCc3n[nH]c(N)c3C#N)ccc21 50145095 GOGUSVAAGCWRKV-UHFFFAOYSA-N 396.411 -0.259 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1 139167182 ASVYFLWVZCJJNA-AWEZNQCLSA-N 399.494 -0.248 30 20 GBED C/N=C(/NCCNC(=O)c1cccnc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 262601185 YPQODSITDOWAJD-INIZCTEOSA-N 388.472 -0.290 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@@H]2C(=O)N[C@H](C)CC)C1=O 264229605 WDBRZTNDUKSTAL-GHMZBOCLSA-N 382.442 -0.221 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2[nH]ncc2C(=O)OCC)CC1 269744921 WKJUQTGELZCCEA-UHFFFAOYSA-N 397.457 -0.968 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)NCCCN2CCNC(=O)C2)c1 269892463 DMSUYJXNYCIDHD-UHFFFAOYSA-N 380.470 -0.297 30 20 GBED CC[C@]1(C)NC(=O)N(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1=O 278755234 MJNKBYVUNOLHBG-QFYYESIMSA-N 393.425 -0.023 30 20 GBED CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 283613823 ZSAPIXUJFLSLFK-CQSZACIVSA-N 395.423 -0.104 30 20 GBED COC(=O)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)OC 298122816 VDZMFUUVWJBPGP-CYBMUJFWSA-N 397.409 -0.287 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(/C(O)=N/[C@@H]1CCOC3(CCC3)C1)C2 329854305 WHKWFZNGZFQBGX-CYBMUJFWSA-N 392.460 -0.036 30 20 GBED CN([C@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 349519582 ISXPZGNLQJJJHM-LBPRGKRZSA-N 391.475 -0.526 30 20 GBED CCN1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1=O 410594906 WMFKTIPUMBVPGY-QGZVFWFLSA-N 383.452 -0.086 30 20 GBED CC(=O)N[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 422391363 UZHGPUKMSCHUKA-DOTOQJQBSA-N 397.435 -0.093 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCCO[C@H](CN)C2)CCN1Cc1ccccc1 423341472 UNYYUJLRIAAJQZ-QZTJIDSGSA-N 385.468 -0.201 30 20 GBED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NCC(=O)NCCO 439252460 ZATZHLGCLFQVCR-UHFFFAOYSA-N 383.364 -0.091 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H]2CS(N)(=O)=O)n1 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20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 592319793 VCAZPALEQUVVIG-AWEZNQCLSA-N 375.381 -0.582 30 20 GBED C[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1ncc(C#N)s1 594636241 XMYFDEMYYWIQGT-VHSXEESVSA-N 394.500 -0.069 30 20 GBED Cn1c(=O)c2ccc(C(=O)O[C@H](C(N)=O)c3ccc(C#N)cc3)nc2n(C)c1=O 734574815 UTCDPNNTWNVNLJ-AWEZNQCLSA-N 393.359 -0.113 30 20 GBED CCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CC(=O)NC1=O 749385775 ZDRSOETYEUWGKL-LLVKDONJSA-N 378.410 -0.621 30 20 GBED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(N)=O)cc1 782679903 DXNWATNPJOFKGY-XSFVSMFZSA-N 395.441 -0.571 30 20 GBED Cn1cc(S(=O)(=O)NN=C2CCCc3ccc(N)cc32)c(=O)n(C)c1=O 814883554 RBYXYHBTHCQROP-UHFFFAOYSA-N 377.426 -0.315 30 20 GBED C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cccnc2)CC1 848962550 CULMWWCWQYZHRW-UHFFFAOYSA-N 386.499 -0.206 30 20 GBED C=CCCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C)nn1 988256494 IDVCPMIGZOXWKR-PAPYEOQZSA-N 390.444 -0.394 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1C(=O)CNC1=O 1003085481 ZXZVIWNLZXLPFD-RBUCKAEESA-N 390.440 -0.233 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc3[nH]c(O)nc3c2)C1 1024448905 CQJKFSAZFZRTIA-ZRJCITRHSA-N 387.396 -0.444 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)NC(C)(C)C1=O 1111353117 INECSRVFUOPLJL-UPJWGTAASA-N 377.445 -0.660 30 20 GBED CN(C(=O)C(=O)NC1CCN(CC#N)CC1)[C@@H]1CCN(CC(F)(F)F)C1=O 1117281735 RMHFHTQKWUKEGA-GFCCVEGCSA-N 389.378 -0.288 30 20 GBED C=CCOCCNC(=O)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 1118562925 LJMZJMCICMHOHD-CYBMUJFWSA-N 390.400 -0.311 30 20 GBED CN(C[C@@H](O)CN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1125352568 GMJSWGHSEYZQSY-AYMQEEERSA-N 375.429 -0.345 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3(O)CCOCC3)CC2)o1 1318257368 IYOYHFJTGLIBSD-UHFFFAOYSA-N 378.385 -0.412 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CCCNC(=O)c2ccsc2)CC1 1329855691 OUJRELDHAPXUON-UHFFFAOYSA-N 398.510 -0.130 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(C(=O)NCCO)CC2)cc1 1333094760 OXTSDLPGGHGTQP-UHFFFAOYSA-N 394.453 -0.816 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N(CCOC)CCOC 1338867205 HZIRHWBUUUQGMM-UHFFFAOYSA-N 378.433 -0.372 30 20 GBED C#CCSCC(=O)OCCN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 1341956318 VVBDPHFHRZKDPX-UHFFFAOYSA-N 378.454 -0.552 30 20 GBED C=CCn1c([C@H]2CC(=O)N(C)C2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1519552205 SDNJIECYAYOKKO-QWHCGFSZSA-N 382.490 -0.072 30 20 GBED N#C[C@H](C(=O)NC1CCCC1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1524677667 LWOBPKWJCKJRKD-OLZOCXBDSA-N 394.453 -0.080 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H](CO)[C@@H](O)C3)CC2)cc1 1570214379 OKKGAVDXEBXGFB-RDJZCZTQSA-N 393.465 -0.229 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1573299069 HQJPBMFSHJUEID-CQSZACIVSA-N 388.432 -0.146 30 20 GBED CCN(CCC#N)C(=O)CN1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1577909419 QBPGSJXYHABEOX-ZDUSSCGKSA-N 385.432 -0.239 30 20 GBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CNCc1ccc(-c2nn[nH]n2)c(F)c1 1588356828 GLWAJWBJMLLZHA-TZMCWYRMSA-N 390.419 -0.047 30 20 GBED C#CC[C@H](NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)C(=O)O 1588407960 SFAZXVHSGCOLOT-ZDUSSCGKSA-N 383.426 -0.529 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588500124 QZWSREOWMSJHGW-PIGZYNQJSA-N 391.432 -0.587 30 20 GBED C[C@@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@@H]1CCCN(CC(=O)NCC#N)C1 1589941437 STVGSNWRAQUIFD-VXGBXAGGSA-N 385.432 -0.335 30 20 GBED CNS(=O)(=O)c1cccc2c1CCN(c1cnc(-c3nn[nH]n3)c(C#N)n1)C2 1591221046 RHRYVNPDVONYEY-UHFFFAOYSA-N 397.424 -0.001 30 20 GBED N#Cc1cc(CN2CCOCC2)cn(Cc2ncc(-c3nn[nH]n3)cn2)c1=O 1592688174 FLGRBSXDHBYSEG-UHFFFAOYSA-N 379.384 -0.429 30 20 GBED N#Cc1ccc(S(=O)(=O)NCCCN2CCCS2(=O)=O)c(C(=O)O)c1 1601112013 QTUOTAWOEUZNPM-UHFFFAOYSA-N 387.439 -0.040 30 20 GBED C=C[C@](C)(O)CC(=O)N(CCO)CCN=c1cc(C)[nH]cc1-c1nn[nH]n1 1602794317 KCAWMVDVDRFNST-KRWDZBQOSA-N 375.433 -0.448 30 20 GBED C=CCOCCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1OC 1602869973 GPZDHGIWEHLCQJ-CHWSQXEVSA-N 388.432 -0.041 30 20 GBED Cc1cc(C)nc(N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)n1 1637071197 LBYDNQKXSDPESU-UHFFFAOYSA-N 383.412 -0.034 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCn1cncn1 1751213090 PXVDHDHIWDYLQQ-LBPRGKRZSA-N 393.477 -0.080 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784601570 OILVAFBGRONSRI-QWQRMKEZSA-N 392.460 -0.363 30 20 GBED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(CCN(C(=O)CNC(N)=O)C3)C2)c1 1785629868 DFKBLWLFISIGKT-SFHVURJKSA-N 389.387 -0.191 30 20 GBED CN(C)C(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1786741316 HKVBGHGCNBXDIC-CPXQMSAISA-N 390.440 -0.234 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3ccnn3)[C@H]2C1 1790639377 SUHFGFQKMBFFKK-WOYTXXSLSA-N 389.456 -0.143 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C[C@@H]21 1790791806 SGOXNNZVLGGNBP-AJNGGQMLSA-N 395.456 -0.515 30 20 GBED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)CN)C3)cc1 1792424582 JFJDNYUAFBFUDE-ZMMAXQRCSA-N 385.468 -0.634 30 20 GBED COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792632371 SRFPXNOBDNBFBI-LXTVHRRPSA-N 380.445 -0.723 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 1795288602 WMKJKZVZISCWKK-HAFSJTIUSA-N 380.445 -0.345 30 20 GBED CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795411078 PCDAKZAZUJMIDK-YIYPIFLZSA-N 377.445 -0.413 30 20 GBED C[C@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597531 MGUOQYPXOUJURQ-HGTKMLMNSA-N 393.488 -0.631 30 20 GBED Cn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597962 MEDPCKZYKSGDSI-MIFYACCESA-N 388.472 -0.095 30 20 GBED C[C@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1799288919 DMANNUWANWCXHB-KKKOQGNTSA-N 379.461 -0.818 30 20 GBED C#CC(=O)NC[C@@H]1CCN(C(=O)Cn2cc(C)c(O)nc2=O)[C@H]1c1cccnc1 1812534695 MDISRVMCSHJHDY-YJBOKZPZSA-N 395.419 -0.008 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)CC)C2)C1 1829771564 VXSLYZXOOBVNFA-VOFKWLDRSA-N 393.440 -0.720 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(C)=O)C2)C1 1831391701 UPQOABKBCLKZMF-APWZRJJASA-N 380.441 -0.150 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(=O)N(C)C)CC2)CC1 1834630654 IYPOJYRYWZRELU-OAHLLOKOSA-N 392.500 -0.316 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834675760 WDEYGUGENQNXPY-AWEZNQCLSA-N 394.520 -0.368 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836165873 FVRUMPWOYIFFHL-LPHOPBHVSA-N 390.440 -0.622 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1nc(N)n[nH]1)CCO2 1837272495 WNXUEJPIWFDVAZ-QGZVFWFLSA-N 391.432 -0.920 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1839838217 DTAFAOFNRUPIJI-GLJUWKHASA-N 381.429 -0.237 30 20 GBED Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)o1 1840044294 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20 GBED CC/N=C(/O)N1CCN(C(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 329755783 YHRIBNISVHFCRO-RYMFRWLXSA-N 378.429 -0.385 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C(C)(C)C(N)=O 349482017 QCPSQOPLRDRWHI-UHFFFAOYSA-N 388.471 -0.285 30 20 GBED N#Cc1ccc2c(n1)CCCN2S(=O)(=O)CCCS(=O)(=O)NCCO 349607816 VHYILAJHDPURMN-UHFFFAOYSA-N 388.471 -0.663 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 349621636 QMNTTXSBGURBCK-AHDPXTMNSA-N 391.515 -0.417 30 20 GBED N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@H]1CCC[C@@]13NC(=O)NC3=O)CC2 433631790 HKZRCUVNBFIQHK-BFUOFWGJSA-N 381.392 -0.058 30 20 GBED CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 502014903 KSOJJCQDNQEHRV-CVEARBPZSA-N 387.440 -0.088 30 20 GBED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(C)cnn2C)c1=O 505685229 XTFISBKYMRJKDT-UHFFFAOYSA-N 389.481 -0.373 30 20 GBED COC(=O)c1cnn(C)c1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 551053086 DUCBBODJDGFZDT-UHFFFAOYSA-N 392.416 -0.780 30 20 GBED CC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 561661733 DVVIDHVHRHUKST-ZDUSSCGKSA-N 384.371 0.559 30 20 GBED CCN([C@@H]1CCNC1=O)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 566486133 BVVIFLVDODEALY-CYBMUJFWSA-N 386.455 -0.612 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cn(C)c(=O)n(C)c1=O 567247496 ICDUYTBWHJSDOQ-SNVBAGLBSA-N 391.409 -0.739 30 20 GBED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(=O)OC)C1 567254033 YKOUGALROIOYCZ-RYUDHWBXSA-N 387.462 -0.157 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3C[C@H](C)N(C4CC4)C3)CC2)c1C#N 569409260 WCACNGJDZUNWKP-DZGCQCFKSA-N 399.499 -0.010 30 20 GBED C[C@H](N)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCO1 591577162 RYLYERNUIYOMLK-GUYCJALGSA-N 389.431 -0.079 30 20 GBED CN(CC(C)(C)C#N)C(=O)C(=O)N1CCC(N2C[C@H](C(=O)O)CC2=O)CC1 593768760 DRGBZUBOCJDSDT-GFCCVEGCSA-N 378.429 -0.081 30 20 GBED N#CC1(NS(=O)(=O)c2cccc(S(=O)(=O)N[C@H]3C[C@@H](C(N)=O)C3)c2)CC1 594631319 CEAUOEYLRZRFFW-PHIMTYICSA-N 398.466 -0.437 30 20 GBED O=C(NCC#CCNC(=O)[C@H]1CC(=O)N(C2CC2)C1)[C@H]1CC(=O)N(C2CC2)C1 681338648 FBNMRWBAKUFSRE-KBPBESRZSA-N 386.452 -0.756 30 20 GBED C[C@@H](CN1CCOCC1)C(=O)NCC#CCNC(=O)[C@H](C)CN1CCOCC1 681340851 QEJDNENJYIWQIF-HDICACEKSA-N 394.516 -0.841 30 20 GBED Cc1oc(C)c(S(=O)(=O)N2CCN(CC(=O)NCC#N)CC2)c1C(=O)O 738966138 QLZHYONBQKZBBE-UHFFFAOYSA-N 384.414 -0.459 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 757592196 SZTPWCZMRVFKRK-NEPJUHHUSA-N 377.401 -0.198 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 777286639 HZDWZOUZOWFULX-UHFFFAOYSA-N 394.453 -0.756 30 20 GBED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 785211178 KEBZJORXPJYSTQ-NEPJUHHUSA-N 385.380 -0.915 30 20 GBED C=CCNC(=O)COC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 811678036 PUEUXKGCWDHAJE-LBPRGKRZSA-N 397.453 -0.099 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 826977814 OCZDVXLHVMYHPK-INIZCTEOSA-N 386.456 -0.149 30 20 GBED N#CC(C#N)=c1sc(=Cc2ccc(O[C@H]3CCOC3)cc2)c(=O)n1CC(N)=O 853462610 AHBATWOMTLSTNZ-HNNXBMFYSA-N 396.428 -0.411 30 20 GBED CCN1CCN(CC(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)C(=O)C1=O 919146721 KJESRMKRZRWNBL-NSHDSACASA-N 378.410 -0.138 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccc(=O)n(C)c2)[C@H](OC)C1 942733236 ABOKCZUCFHNSEX-LVQVYYBASA-N 375.425 -0.068 30 20 GBED O=C([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCN(C(=O)C#CC2CC2)[C@H]2CS(=O)(=O)C[C@H]21 995451533 FDMLCRFJLRTPJC-UUAJXVIYSA-N 392.477 -0.196 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3nn[nH]c3n2)C[C@H]1O 1023960138 AMVHWAVTXDDWFU-QZKOUSHUSA-N 386.412 -0.364 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1058354259 BLVLWIDDCPPWGC-IECFSIQFSA-N 396.484 -0.044 30 20 GBED COCCCNC(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109959306 DTFGWMXMCKEOQK-ILXRZTDVSA-N 379.461 -0.719 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@H](C)NC(N)=O 1110557739 WEZFCTVFKVBCLW-LOWDOPEQSA-N 380.449 -0.833 30 20 GBED N#Cc1cccc([C@H]2CN(C(=O)C(=O)NCC(=O)N3CCOCC3)CCO2)c1 1117306901 PPFBCEYZZHBLBM-MRXNPFEDSA-N 386.408 -0.567 30 20 GBED Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cn1 1118250172 NZUOFRMKFQJLCQ-RKVPGOIHSA-N 375.429 -0.288 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccccc2)C1 1120461334 CCZWNZJUVPQEFN-KRWDZBQOSA-N 394.453 -0.901 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CC[C@@](F)(CO)C3)CC2)nc1 1322427160 HDEPESMDBVGMJI-SFHVURJKSA-N 375.404 -0.029 30 20 GBED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H](C(N)=O)c1ccc(C#N)cc1 1323164467 LUZPRCQHXMOOHP-GDBMZVCRSA-N 378.454 -0.290 30 20 GBED COc1ccc(CN(CCO)C(=O)C(=O)N2CC[C@](O)(CC#N)C2)c(OC)c1 1326534744 VEUHKJXNQRQHFV-LJQANCHMSA-N 391.424 -0.098 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 1328592566 VUYVAOILEIGENY-QGZVFWFLSA-N 392.437 -0.702 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 1328716708 ORNCVRQBYHSNMK-YOEHRIQHSA-N 380.489 -0.247 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NC2CCN(c3cccnn3)CC2)CCN1C1CC1 1332465767 NBGZKLCTTMZQHZ-MRXNPFEDSA-N 383.456 -0.240 30 20 GBED C=C(Br)Cn1nnnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1343764017 XPKZSGMUSUYDJC-UHFFFAOYSA-N 386.254 -0.245 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)NCC2(CC#N)CC2)CC1 1349083457 ZVFUNOVVAVNRHP-UHFFFAOYSA-N 385.490 -0.473 30 20 GBED C#CCn1ccc(CN(CC)c2nnnn2C2CCN(CC(=O)NC)CC2)n1 1355726104 ZLNHXPALLRCLTD-UHFFFAOYSA-N 385.476 -0.088 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CC(=O)NC[C@H]2c2ccccc2)CCN1C1CC1 1356396478 JYURSCZERVOLAF-SJORKVTESA-N 381.436 -0.115 30 20 GBED C#C[C@]1(C)CCCN1c1nnc([C@H]2COCCN2)n1CCS(=O)(=O)N(C)C 1574759683 NNRDHCIQNIBDSW-RHSMWYFYSA-N 396.517 -0.178 30 20 GBED C#CCNC(=O)CN1CCC[C@@](C)(CNC(=O)[C@H](C)OCc2cnn[nH]2)C1 1575005213 XIOINKKHUVTABD-KSSFIOAISA-N 376.461 -0.323 30 20 GBED C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)C1CCN(Cc2cnn[nH]2)CC1 1575108695 PHQAWZKOUZNQEK-CQSZACIVSA-N 377.493 -0.245 30 20 GBED CCN(CCC#N)C(=O)CN[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1577909038 CTSXBERQQCUYQO-ZDUSSCGKSA-N 385.432 -0.239 30 20 GBED C#CCNC(=O)[C@@H](C)N1CCC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353316 NRTIFRDQNLAXNX-OLZOCXBDSA-N 384.444 -0.226 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2nc3ccc(C(=O)O)cc3[nH]2)CC1 1588486336 UIJDMHWCLKCUON-UHFFFAOYSA-N 377.426 -0.154 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 1588499564 JXJNENRTRAOYSG-ZBEGNZNMSA-N 376.421 -0.761 30 20 GBED C=CCn1cc(C(=O)N(C)[C@H]2CCN(c3nccnc3-c3nn[nH]n3)C2)nn1 1588711556 RSXBPKWJRJDFEU-NSHDSACASA-N 381.404 -0.215 30 20 GBED C[C@@H]1CN(CCC(=O)O)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1604790682 MRTYEPBCXSWHRH-CYBMUJFWSA-N 394.453 -0.156 30 20 GBED N#Cc1cn(CCC(=O)N2CC[C@H](OCCN3CCOCC3)C2)c(=O)nc1O 1622352038 SUXFMCMJOIXJGK-HNNXBMFYSA-N 391.428 -0.840 30 20 GBED CCOC(=O)C1([S@@](C)=O)CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 1663396657 VJUFXUARLVBKOF-FNODVLLQSA-N 393.487 -0.768 30 20 GBED CN(C)C(=O)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779137519 QGHHEZMXSYETAP-JHBOHYQCSA-N 376.413 -0.383 30 20 GBED C[C@@H](C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2)N1CCN(C)CC1 1781102599 ZRFWODATRFGKED-DAYGRLMNSA-N 384.546 -0.230 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21 1784480359 WZQCNDGTNCBAAX-VGWMRTNUSA-N 375.429 -0.704 30 20 GBED CS(=O)(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1784747633 GHVJMMXSAOTZFB-QGZVFWFLSA-N 383.470 -0.055 30 20 GBED CC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1790845998 VRWCPUBMRABFRU-JYJNAYRXSA-N 393.488 -0.616 30 20 GBED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21)C(F)(F)F 1790882661 FHZAAPYQUYTCRS-PEDHHIEDSA-N 391.390 -0.193 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)C2 1793340533 KIGNJBZPZYDTJY-GUYIQFIESA-N 392.374 -0.072 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)nn1C 1794344018 WBNAHCJZLPESEZ-ZJOBFFGXSA-N 390.440 -0.330 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1797709405 FIBQNFBPIUICOA-JBXGNFEISA-N 393.484 -0.325 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)cc1F)C2 1800779754 UUUFRAZCBNSDDZ-YQYWCBKUSA-N 376.340 -0.178 30 20 GBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1800984596 AJBZJJISTZYESI-CKEKPRIKSA-N 384.376 0.000 30 20 GBED C#CC(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1812527080 XENIPMXJFWIJRE-BLLLJJGKSA-N 392.379 -0.840 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834766046 UDTKLVPAWOGTOR-SFHVURJKSA-N 379.413 -0.134 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838798248 JUDAGXBBVNZKQL-GOSISDBHSA-N 392.412 -0.213 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CCSC)C2)C1 1840844818 NHERBUTXPACBEU-CRAIPNDOSA-N 384.498 -0.030 30 20 GBED O=C1NC[C@@H](C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@@H]3CCCCO3)C2)O1 1844299373 SGPWKAGMTOFIAI-WKXBTIRCSA-N 380.401 -0.173 30 20 GBED CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1)C(=O)O 1844300325 ZHZZSCPVOTVQQV-DIDNWDTISA-N 396.444 -0.219 30 20 GBED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845066054 SBEARBRMWAJLPC-RYSHLGEFSA-N 380.445 -0.558 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC)C(=O)N2CCOCC2)cc1 267673494 CSDDVDKKMKFBJK-MRXNPFEDSA-N 393.465 -0.035 30 20 GBED CN(C[C@@H](O)CN1CCOCC1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 267728310 TXFMXMFOHQGUKQ-QGZVFWFLSA-N 395.481 -0.375 30 20 GBED CNC(=O)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 268893931 PMHSSPMKDCIVEE-ZDUSSCGKSA-N 393.469 -0.885 30 20 GBED N#C[C@H]1CSCCN1C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 271674730 AMDYYMFQEVDJIJ-ZDUSSCGKSA-N 394.478 -0.112 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C3=NN(CCO)C(=O)CC3)C2=O)cc1 277152302 WHMGPEUIQKQISV-INIZCTEOSA-N 383.408 -0.254 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CSC[C@H]1C(=O)N(C)C)c1cc[nH]n1 278203277 SEWHUDRYGDLLEN-RGJLELDCSA-N 383.430 -0.317 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 287531211 BCFPYKUFPMOEFO-UGGVJQLJSA-N 391.428 -0.169 30 20 GBED CC(C)N1CC[C@@H](N/C(O)=N/CCS(=O)(=O)N2CCSCC2)C1=O 329690914 BSPOWOGYYKHMPE-GFCCVEGCSA-N 378.520 -0.122 30 20 GBED N#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 349508075 YZSIGMOAGAPXHT-MELADBBJSA-N 390.487 -0.912 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCCO2)nc1 349596780 ANKJAPMTMLPIIZ-ZDUSSCGKSA-N 388.471 0.183 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCCNC1=O 349612934 JOCKLFZTQRGPRR-LBPRGKRZSA-N 394.519 -0.472 30 20 GBED C[C@@H](C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO)n1cnc(C#N)n1 409816066 XXTIFJZZAGYSRR-LBPRGKRZSA-N 392.441 -0.360 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCCO[C@H](CN)C3)CC2)c(F)c1 423212189 JGQXRWZPDNXVGI-OAHLLOKOSA-N 389.431 -0.078 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(C3CCN(C)CC3)n2)C1=O 440234443 ACRXLVZRDYNKTB-HNNXBMFYSA-N 388.472 0.334 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCOC[C@@H]1C[C@H](C)O 442505468 HFOXZBLIIMXRQB-ZFWWWQNUSA-N 398.423 0.384 30 20 GBED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccnn2C)c1=O 502011768 BPYCRRPNYNHFKA-UHFFFAOYSA-N 375.454 -0.681 30 20 GBED N#CCC1(O)CN(C(=O)Cc2ccc(CC(=O)N3CC(O)(CC#N)C3)cc2)C1 506361397 HGLDVEQYTKURJD-UHFFFAOYSA-N 382.420 -0.254 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@H]3COCCO3)C2=O)cc1 560240883 KVBYYTNLOZEXJU-JKSUJKDBSA-N 386.408 -0.299 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 560289598 WDFGEXDATLNLOV-GDBMZVCRSA-N 391.472 -0.015 30 20 GBED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 613304730 DACQNKCAUVRTEY-UHFFFAOYSA-N 395.441 -0.544 30 20 GBED N#C[C@H](C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)N1CCS(=O)(=O)CC1 732909367 AGTMIXICPUSIAX-GXTWGEPZSA-N 381.454 -0.257 30 20 GBED CC(C)N1C(=O)C[C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 751400209 RJRMBPYVAHJVFM-GFCCVEGCSA-N 392.437 -0.233 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NS(=O)(=O)CCS(C)(=O)=O)C1 758644375 LVVBHHLQRDVGGR-MNOVXSKESA-N 381.476 -0.291 30 20 GBED C#CCNS(=O)(=O)c1ccc(-c2nc(-c3ncn(CC(N)=O)n3)no2)cc1 761932999 QTQYMSQEPDEKNI-UHFFFAOYSA-N 387.381 -0.608 30 20 GBED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)[C@H]1CCCO1 773797498 ODDLPJRXMJRNRB-HZPDHXFCSA-N 375.429 -0.549 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC 785163916 FSJQEVBFMIEKNQ-UHFFFAOYSA-N 395.437 -0.160 30 20 GBED C=C(Br)CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 793586058 FCOFZSDPGDFLLP-UHFFFAOYSA-N 386.250 -0.088 30 20 GBED C=CCn1c(C)nnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 800774961 IARRRUZIHZGFCB-ZDUSSCGKSA-N 389.503 -0.589 30 20 GBED CN(C1(C#N)CCC1)S(=O)(=O)CCCS(=O)(=O)N1CCCNC(=O)C1 848959246 CMFBDKAREANZMD-UHFFFAOYSA-N 392.503 -0.764 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)N=c1nc(C)[nH]n1C)C(C)(C)C 848962248 PQOMGQPOHOHPDS-LBPRGKRZSA-N 391.519 -0.355 30 20 GBED C#CCCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cn[nH]c2)CC1 848962780 WFBPCSNUCFOGGK-UHFFFAOYSA-N 389.503 -0.488 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3cncs3)CC2)C1=O 913413303 GYXQXSPDRYLPHZ-UHFFFAOYSA-N 377.426 -0.236 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2CCCS2(=O)=O)[C@H](C)C1 959680916 WGQXFIPHESNJKN-TUVASFSCSA-N 385.486 -0.424 30 20 GBED C=CCn1cc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H]4OCC[C@H]4C)C[C@@H]32)nn1 960401396 HLKDLEVYHILTTA-BVUBDWEXSA-N 375.429 -0.059 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1OCC 982883794 BSYCZPNMLOCFPQ-LUYZLQTOSA-N 377.445 -0.001 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](OCC)[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)nn1 982926251 ABSSZTBGTLVBSG-GUIRCDHDSA-N 390.444 -0.821 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCCOCC)nn1 1109813965 FJKJYELUXVXMES-YCPHGPKFSA-N 376.461 -0.048 30 20 GBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1c1cncn1C 1131010680 YHPLRKBHPDOHQP-BORJPKMPSA-N 391.472 -0.590 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCN(C)[C@@H]2C)[C@H](OC)C1 1212298061 TYFDOHAPHOYLMS-KBUPBQIOSA-N 381.477 -0.846 30 20 GBED N#CC[C@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)C1 1261712280 OISANDDGEXYUCQ-CYBMUJFWSA-N 379.442 -0.372 30 20 GBED COCC/N=C(/NCC1(O)CCOCC1)N1CCN(C[C@@H]2CCOC2)CC1 1262669796 IDFDNLANGIUWJT-KRWDZBQOSA-N 384.521 -0.226 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H](O)Cn3ccnn3)C2=O)cc1 1312624641 FETZNPCZHFNFIZ-HZPDHXFCSA-N 383.412 -0.389 30 20 GBED Cn1ncc2c(N3CCN(C(=O)Cn4cnc(C#N)c4C#N)CC3)ncnc21 1320269123 ZCZCSLGLISOOIM-UHFFFAOYSA-N 376.384 -0.348 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCN(CC(C)C)C(=O)C2)CC1 1325031783 YFVPIANFHWLJMD-UHFFFAOYSA-N 376.457 -0.699 30 20 GBED Cc1ccc2nc(CNC(=O)C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cn2c1 1326181693 LGNHAWRZGQHBOS-MSUUIHNZSA-N 396.407 -0.098 30 20 GBED CC(C)N1CCCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1328816145 LGQKYZKYEJXBCG-NXVVXOECSA-N 377.445 -0.428 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)c3ncnn3C)CC2)c1C#N 1343434947 MDXQHGVJNQRMQP-GFCCVEGCSA-N 385.432 -0.745 30 20 GBED C=C(Br)Cn1nnnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1343760651 INNIWVPILPEZAX-UHFFFAOYSA-N 398.265 -0.147 30 20 GBED C=C(C)Cn1c(CN2CCC[C@@H](O)C2)nnc1N1CCO[C@@H](C(=O)NC)C1 1346344267 IEIDKIYWWWKTMV-HUUCEWRRSA-N 378.477 -0.238 30 20 GBED C[C@H](CC(=O)N(C)CCS(N)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 1455399830 NCTIWGDLLCMVBN-SNVBAGLBSA-N 388.471 -0.749 30 20 GBED N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H]2COCCO2)CCO1 1505325265 QVCGPMGPBRHWIK-ZIAGYGMSSA-N 376.417 -0.455 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)CCCc2cnn[nH]2)CCCO1 1575012635 FENOPLBNQCUQGP-GDBMZVCRSA-N 377.445 -0.101 30 20 GBED C#CCOCCC(=O)NC1CC2(C1)CC(N[C@H](C)C(=O)NCc1cnn[nH]1)C2 1575013868 VAAGJFXNRQVDJV-LSOFMIKDSA-N 388.472 -0.134 30 20 GBED C=CCn1cc(C(=O)N(C)CCN(C)C(=O)[C@@H](C)OCc2cnn[nH]2)nn1 1575112601 VTLDJCYKIJZFLE-GFCCVEGCSA-N 376.421 -0.282 30 20 GBED CCN(CCC#N)C(=O)CN1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1577909351 NHMFLLJABJZMDW-LBPRGKRZSA-N 385.432 -0.239 30 20 GBED C#CCN1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)C3)[C@@H]2C1 1588353171 JCEXQQDBLXWGOQ-YUELXQCFSA-N 396.411 -0.453 30 20 GBED C#CCOCCC(=O)N1C[C@H]2C[C@@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)C[C@H]1C2 1588360895 XNNWUIONNLRMCC-BFHYXJOUSA-N 382.428 -0.090 30 20 GBED C#Cc1ccc(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[nH]n4)nn3)C2)nc1 1588364417 FACGUTTUYVRAQU-CYBMUJFWSA-N 391.395 -0.014 30 20 GBED C#Cc1ccc(C(=O)N(CCO)CCNc2cncc(-c3nn[nH]n3)n2)cn1 1588366595 XILRHJAYPISOSR-UHFFFAOYSA-N 379.384 -0.420 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588665346 JNVOGYXCJNXRRW-NWDGAFQWSA-N 389.416 -0.257 30 20 GBED N#CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C12CCC2 1592678333 VALNIZMTNCYXHZ-CHWSQXEVSA-N 383.416 -0.535 30 20 GBED N#CCSCC(=O)NC1(CO)CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 1592679243 JYAWIVUIYDVFLR-UHFFFAOYSA-N 389.445 -0.639 30 20 GBED N#CCSCC(=O)NCC1[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]12 1592679691 ZMZHZYXSTPXBCJ-GHMZBOCLSA-N 386.441 -0.114 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C1 1602721574 OJBKKJDGKOZYHE-HIFRSBDPSA-N 381.444 -0.209 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2O)nc1 1602739199 BDRMFTWIEPBFAY-CABCVRRESA-N 392.379 -0.814 30 20 GBED C=CCOCC(=O)N[C@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1602868611 QZCLVQUPZWYKJZ-QGZVFWFLSA-N 389.416 -0.519 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](O)CN=c1cc(C)[nH]cc1-c1nn[nH]n1 1602883703 GQJCDMBXVBSAOS-IOASZLSFSA-N 387.444 -0.186 30 20 GBED C#CC[C@H](NC(=O)[C@@H]1C[C@H](C)C[C@@H]1C(=O)N[C@@H](CC#C)C(=O)OC)C(=O)O 1609076832 ZZFOMAWFCRAJPU-AICCOOGYSA-N 376.409 -0.078 30 20 GBED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)CN)C[C@@H]32)c1 1783912521 WTRKGBJJKLEWLT-VJANTYMQSA-N 399.495 -0.243 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2ncnn2c1 1797561590 OELHCEVHFUJHLZ-FVCICTRLSA-N 383.364 -0.980 30 20 GBED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2 1797743867 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GBED CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 502288569 BCZFOCFFPFLBRE-HOTGVXAUSA-N 387.440 -0.088 30 20 GBED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 564592856 DTXWKNQXADLSKJ-NSHDSACASA-N 385.446 -0.539 30 20 GBED CN(CCOCc1ccc(C#N)cc1)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O 565532571 XAPZXZGGRGNTNX-UHFFFAOYSA-N 385.424 -0.131 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCN(c2ccccn2)C1 588765488 QGTIAOUOYXJNLD-ZDUSSCGKSA-N 396.455 0.045 30 20 GBED CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)C1 597269411 VQGANRKOGZEJEI-CQSZACIVSA-N 390.513 -0.370 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2C[C@H](C(N)=O)C2)cc1 600762135 DMOIDEPIOWKISQ-XYPYZODXSA-N 386.455 -0.627 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)N(C)C)CC2)CC1 611371084 GISSBKOKADVRRI-KRWDZBQOSA-N 378.521 -0.615 30 20 GBED NC(=O)[C@@H]1CCC[C@H](C(=O)NCC#CCNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)C1 682536968 ORRVAQWSJRHOMV-WCVJEAGWSA-N 390.484 -0.194 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 726672543 ZLRAWBKDROETGR-UHFFFAOYSA-N 397.409 -0.450 30 20 GBED C[C@H](CC(=O)OCC(=O)N1CCNC1=O)/N=C1/NS(=O)(=O)c2ccccc21 745494837 CAHWMCCVMMPMQD-SNVBAGLBSA-N 394.409 -0.401 30 20 GBED C=CCNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O 749671341 IMIMDFWUCNVZID-KRWDZBQOSA-N 398.383 -0.559 30 20 GBED C=CCS(=O)(=O)NC(=O)Cc1c(C)nn(-c2cncc3nnnn23)c1C 772720814 VWJVKJYEJRCRKN-UHFFFAOYSA-N 376.402 -0.504 30 20 GBED C#CCOc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 773286235 OMJNXMDWXVNQPV-UHFFFAOYSA-N 395.437 -0.585 30 20 GBED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 782250594 YVAYUIUGHXJIJV-UHFFFAOYSA-N 389.418 -0.006 30 20 GBED CN(C)c1c(C=NNc2ccccc2S(N)(=O)=O)c(=O)n(C)c(=O)n1C 807985997 VHCYRMVGSQSJST-UHFFFAOYSA-N 380.430 -0.757 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)[C@H]1CCCO1 809309997 AADMXFFPRHQBON-SOUVJXGZSA-N 383.470 -0.690 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CCCO1 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C#CCOc1ncccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@@H]1O 969331373 CEBFBQNMNKSCIV-AXSMETJDSA-N 397.431 -0.182 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn(CCOC)c2)C1 969670805 RQTYJUZCEGEENZ-WCVJEAGWSA-N 378.429 -0.578 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC(=O)NC(=O)N2)cn1 1004747957 MTXIJNDFVAOBLG-KBXIAJHMSA-N 381.392 -0.477 30 20 GBED Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(C#N)n2)c(=O)n(C)c1=O 1055097134 CYQCYCLYLVAYJI-XBFCOCLRSA-N 381.396 -0.715 30 20 GBED N#Cc1cnccc1N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)Cn1cncn1 1092980023 NSQKRJMNXKEKFQ-FMKPAKJESA-N 380.412 -0.413 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](C)NC(=O)CC 1110588846 QSGGPLUCVLTOOS-SYQHCUMBSA-N 379.461 -0.366 30 20 GBED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N[C@H](C)CC#N)cn2)C[C@@H](C)O1 1116710691 KGOUAGXDEJXXRL-UPJWGTAASA-N 376.417 -0.124 30 20 GBED C#CCN1CCCC[C@@H]1c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC=C 1121634922 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-0.121 30 20 GBED C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N)COC2)C1 1574944151 XBRUQAUWIGBNRM-KBPBESRZSA-N 397.501 -0.311 30 20 GBED C#CCOCCC(=O)N1CC[C@]2(CN(C(=O)CCCc3cnn[nH]3)CCO2)C1 1575013493 PUQHNHFLDGZWRO-LJQANCHMSA-N 389.456 -0.003 30 20 GBED C[C@@H](C#N)C(=O)N(Cc1cnn[nH]1)C1CCN(C(=O)CCn2ccnn2)CC1 1575179330 UGNJVQMZGNPLGI-ZDUSSCGKSA-N 385.432 -0.034 30 20 GBED N#Cc1nc(N2CCN(C[C@H]3CCCS3(=O)=O)CC2)cnc1-c1nn[nH]n1 1581879743 WLHVIUZJFYETSA-LLVKDONJSA-N 389.445 -0.772 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1 1588351399 SFZTYOOXQJZZJG-SJORKVTESA-N 383.456 -0.469 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cc(-c3nn[nH]n3)cc(N(C)C)c2)CC1 1588354787 ZJQYWRVQAVASNE-UHFFFAOYSA-N 396.455 -0.560 30 20 GBED C=CC[C@H]1CCN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)C1 1588561262 YMCVWRCQEJWTGL-NSHDSACASA-N 387.448 -0.012 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C)c(-c2nn[nH]n2)cn1 1588688600 LFCXBVZKVGRXQR-UHFFFAOYSA-N 379.402 -0.774 30 20 GBED C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1589895986 WVGYTFTZMFXIPW-NSHDSACASA-N 394.395 -0.004 30 20 GBED COCCN(CC#N)CC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 1591422125 XDFDHSJPYWSYQY-UHFFFAOYSA-N 389.420 -0.716 30 20 GBED O=C(C#CC1CC1)N1CCC[C@@H](N(CCO)c2ccnc(-c3nn[nH]n3)n2)C1 1592766101 CHJYBCCLDDKSKX-CQSZACIVSA-N 382.428 -0.140 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cn4ccsc4n3)C2)C1 1778632038 SJQNXWVMZZBXPP-QGZVFWFLSA-N 388.405 -0.073 30 20 GBED C[C@@H](Nc1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779062545 WEFVBXORKGFUPJ-FZKQIMNGSA-N 387.396 -0.805 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)CCSC)C2)C1 1783962116 DAPFFIBUAGGMPO-RVKKMQEKSA-N 384.498 -0.031 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(CO)on3)C[C@@H]21 1784485841 RZGHQOTYNXDGLV-RMRKRWHISA-N 391.424 -0.202 30 20 GBED Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc(O)n1 1791075748 UYQUCTCVQZLWBA-QEJZJMRPSA-N 387.392 -0.223 30 20 GBED 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C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCN2C(=O)OC(C)(C)C)CC1 831568431 ICPMAGGUOYYLAC-CYBMUJFWSA-N 386.474 -0.392 30 20 GBED COC[C@@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 848941880 MQNVSKPDUOMYDP-QWRGUYRKSA-N 377.444 -0.837 30 20 GBED CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@]1(C)CCOC1=O 848963623 XHPGMIYUMCTXKT-KGLIPLIRSA-N 393.487 -0.387 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 898484676 YIFBTHQVCFLOQL-GOSISDBHSA-N 394.516 -0.603 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(OC)ncn2)C[C@@H]1O 964613101 BTFBWIQKMQDLFS-RZFFKMDDSA-N 376.413 -0.232 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2COC3(C2)CN(C(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@@H]42)C3)nn1 965711700 TYFWDMSJHZGPSI-UIWYYIFQSA-N 399.451 -0.013 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2cn(CC)nn2)C1 969643622 VYTCFCAWMSDUDE-WCVJEAGWSA-N 377.445 -0.490 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(N)=O)CC1 1001844032 BZHDIZUFZYPAIS-WCVJEAGWSA-N 379.457 -0.035 30 20 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COC(=O)[C@H]1COCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 371100308 PEGQJDHHHNHIMQ-CQSZACIVSA-N 381.410 -0.107 30 20 GBED CC(C)(O)CN1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 377933268 QQCCIQZUWJACEA-UHFFFAOYSA-N 397.439 -0.007 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3CNC[C@@H]32)C[C@]12C(=O)Nc1ccccc12 423719126 BYXAFCNBNDLCNU-MEGQDDJESA-N 379.420 -0.321 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)C1=O 440284425 RPVPTJXKPGZBGH-OAHLLOKOSA-N 382.424 0.510 30 20 GBED CN(C)S(=O)(=O)CCNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 461650925 VWEZKVFKZQZRHJ-UHFFFAOYSA-N 388.471 -0.814 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(N)(=O)=O)o1 465266705 OCXKBQNEVRZWNK-SNVBAGLBSA-N 376.398 -0.060 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](CC(C)C)N2CCOCC2)C1=O 499102843 VUBDYOVLZZUBLM-CQSZACIVSA-N 380.445 -0.174 30 20 GBED C[C@H](C#N)CNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 537011748 MHQMJBNXTGJIEX-CJNGLKHVSA-N 386.408 -0.085 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C[C@H](O)CN2CCOCC2)CC1 538148994 USBSQQWFCURBSH-ZWKOTPCHSA-N 381.521 -0.696 30 20 GBED N#Cc1cccc(N2CCN(C(=O)NC[C@@H]3CS(=O)(=O)CCO3)CC2)n1 545509547 YFDWELQALCYTPN-CQSZACIVSA-N 379.442 -0.402 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)NCCc2nnnn2-c2ccccc2)CC1 549185745 SJUGTVNDZQGKJN-UHFFFAOYSA-N 398.471 -0.166 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(N)=O)cc1OCC(F)F 577447716 MTGNWYTZWSBXFU-UHFFFAOYSA-N 384.339 -0.214 30 20 GBED CCN(CC(=O)NCc1cccs1)C(=O)Cn1c(=O)[nH]cc(C#N)c1=O 577869674 WUUIMNHVVUKXFC-UHFFFAOYSA-N 375.410 -0.365 30 20 GBED CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cn1 592301805 NHPUHLYHRWLBAB-QGZVFWFLSA-N 377.401 -0.003 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(OCC(=O)OC)c2)C1=O 609645276 RFJXRLKPDBASEG-UHFFFAOYSA-N 389.364 -0.169 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C)C1=O 726042876 NMTROMXHAOSQST-SECBINFHSA-N 382.373 -0.481 30 20 GBED C[C@H](CC(=O)N1CCO[C@@H](C(N)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742599307 MQHWNJNELGUIIP-ZYHUDNBSSA-N 380.426 -0.784 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(CC)CC2)cc1 750734229 TUQYUAOSAHJNIX-UHFFFAOYSA-N 392.481 -0.508 30 20 GBED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccnn2CC)c1=O 758079902 VIMPYBZRNCWILI-CYBMUJFWSA-N 399.476 -0.586 30 20 GBED COCCNC(=O)[C@@H](C#N)C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 766256752 SPVBCOXQIMPLRP-AWEZNQCLSA-N 388.428 -0.623 30 20 GBED COc1ncnc(N(C)C)c1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 775139005 WKLFBNXEBVMTHS-UHFFFAOYSA-N 384.400 -0.015 30 20 GBED CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2nnn(C)n2)C1=O 783007716 KVJQQYZCDJGZIN-QCJHYCHESA-N 388.457 -0.216 30 20 GBED CCN(C(=O)C(=O)NCCNc1ncccc1C#N)[C@@H](C)CS(C)(=O)=O 787773900 CNHDTGFQCDCTHA-LBPRGKRZSA-N 381.458 -0.237 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)[C@@H]1CCCO1 809312840 QAQBSARFZQNVAJ-IRXDYDNUSA-N 390.484 -0.704 30 20 GBED C[C@](C#N)(CC(=O)O)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 819842839 VLDHHIQBHIVHFD-CQSZACIVSA-N 384.370 -0.006 30 20 GBED O=C(CCCCCC(=O)N[C@@H]1CCCN(O)C1=O)N[C@H]1CCCN(O)C1=O 848137470 BECCZEMZOVPDAO-BETUJISGSA-N 384.433 -0.070 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCN(C=O)CC2)cc1 848941665 YGNLNOGTPHULLX-UHFFFAOYSA-N 386.455 -0.659 30 20 GBED N#CC1(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCNC(=O)C3)cc2)CC1 848943558 MBUZQRWBRXWBDY-UHFFFAOYSA-N 398.466 -0.468 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(OC)c2F)CC1 872515242 JOYYLVSLQZGRAT-UHFFFAOYSA-N 391.446 -0.392 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(c3cn(C)nc3C)=NO2)CC1 932037713 CBBHLPDMASIMNN-QGZVFWFLSA-N 386.456 -0.495 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cccc(=O)n2C)C1 970426501 ZYKIHGGKWJKCLL-VDERGJSUSA-N 375.425 -0.332 30 20 GBED C=CCn1cc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)nn1 972855448 UMGVHDHZJYDOGU-MUIFIZLQSA-N 388.472 -0.144 30 20 GBED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2nccnc2C(N)=O)c[nH]1 996322033 MOQAABBBDINULS-AGIUHOORSA-N 379.380 -0.049 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cn(C)nc2Cl)C1 1025681283 ZOMYPRRMEGTCNU-SYQHCUMBSA-N 382.848 -0.105 30 20 GBED Cc1cc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2cn(CC(N)=O)nn2)c(C#N)cn1 1055350475 WBWDOZAIYCIUQZ-NFAWXSAZSA-N 380.412 -0.122 30 20 GBED C#Cc1cccc(NC(=O)CN2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@H](OC)C2)c1 1082140365 YSQJAWHFONILTL-YYIAUSFCSA-N 384.436 -0.457 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)CC 1110397762 YHHMPZJAXMSHIP-SYQHCUMBSA-N 379.461 -0.366 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(=O)n(C)o1 1110482655 GRVUSDBPFIVHPH-UTUOFQBUSA-N 377.401 -0.675 30 20 GBED CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1111421306 PWZYDTJPUNYXNL-LVQVYYBASA-N 375.473 -0.005 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)NCCCCN1CCN(c2ncccn2)CC1 1117305639 BRYANLIPLWVMNI-UHFFFAOYSA-N 396.495 -0.020 30 20 GBED CC(C)N1CC[C@H](NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1=O 1117372453 QFVHYSFCVYCZTA-KGLIPLIRSA-N 399.455 -0.489 30 20 GBED N#CC1(OCCOC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCOCC1 1122872107 ZMLOUFWHKPVZEQ-UXOAXIEHSA-N 378.381 -0.219 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCc2cccnc2)C[C@@H]1O 1220524561 XCYDSDHXEOLZAC-ZMMAXQRCSA-N 388.468 -0.160 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCN2C(=O)COc3ccccc32)C1=O 1318530906 IAGCQMRCPFDBBH-UHFFFAOYSA-N 386.364 -0.495 30 20 GBED C=C[C@H]1CCCCN1C(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1325908243 SXNPINXYRSVQOG-ZDUSSCGKSA-N 390.444 -0.958 30 20 GBED CC(C)c1nc([C@@H]2COCCN2C(=O)C(=O)N2CC[C@](O)(CC#N)C2)no1 1326543754 AZGGFJAUFHNRTM-YVEFUNNKSA-N 377.401 -0.030 30 20 GBED COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1326547606 PLPSWCZSVFZJIZ-KGLIPLIRSA-N 377.319 -0.183 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)CC1 1328670425 QBQRPSJSKKFCNV-OAHLLOKOSA-N 387.502 -0.585 30 20 GBED CC(C)N[C@H]1CCCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1328818459 WDVBOHHEQLAGPE-ZGTROFRASA-N 377.445 -0.382 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(CC3CCOCC3)CC2)CCN1C1CC1 1329271896 DXOWXKHTAMCOCU-GOSISDBHSA-N 389.500 -0.244 30 20 GBED C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329453628 MWIVTPWNKDIMAT-HOCLYGCPSA-N 377.489 -0.511 30 20 GBED CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1329716591 IDQYBJKRMBXYDD-GOEBONIOSA-N 375.473 -0.050 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)NCc1ccc(F)c(-c2nn[nH]n2)c1 1573286615 GHWPWZQCMLGZBE-AAEUAGOBSA-N 376.392 -0.389 30 20 GBED C#CC[C@H](COC)NC(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1588332337 YZZKJUAXEDPZNE-CQSZACIVSA-N 398.427 -0.935 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cn1 1588366791 BAGXKVSGEUXDBK-GFCCVEGCSA-N 380.368 -0.908 30 20 GBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 1588666320 CQVGQQBCKYZNAS-MFKMUULPSA-N 375.389 -0.911 30 20 GBED N#CCCOCCOC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1592678317 RTTYXLPUVFTJAF-UHFFFAOYSA-N 380.386 -0.382 30 20 GBED C=CCCOCC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 1602844070 HPAZARMVAXGJKN-ZDUSSCGKSA-N 388.432 -0.039 30 20 GBED N=C(N)NCC(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779137200 IQWKWHVMTILUGT-CWDMTWSRSA-N 376.417 -0.989 30 20 GBED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]3C2)c1 1787422407 KGNXKBDEFGAQSY-VJANTYMQSA-N 399.495 -0.243 30 20 GBED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(N)=O)C3)cc1 1792426460 LGNVIMFUPBJXCC-HGKCTWBKSA-N 399.451 -0.251 30 20 GBED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1 1795438458 DICIJMMRRWCFEG-XEMDLRDOSA-N 395.500 -0.109 30 20 GBED NC(=O)c1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1798354526 ODJXBJBEYXQJPR-AGGWBTHJSA-N 383.408 -0.808 30 20 GBED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)n[nH]3)sc2C1 1815217718 YGQFLTSZAKTXQW-ZETCQYMHSA-N 375.366 -0.114 30 20 GBED N#CCC(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1834401884 PAPVQUGEYUZNQN-UHFFFAOYSA-N 387.440 -0.603 30 20 GBED CCOC(=O)O[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834767013 KCYOYFMAINXBQH-SUMWQHHRSA-N 383.401 -0.082 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)C1 1835303399 YDUPXJZTRGHNBZ-BEFAXECRSA-N 377.441 -0.312 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCOCCOCCOC)CCO2 1840077869 QBEQIOIWVBOFFN-LJQANCHMSA-N 398.456 -0.854 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCn1cncn1)CCO2 1840359999 VMPBFULBNCFNHB-SFHVURJKSA-N 375.429 -0.462 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC(C)=O)C2)C1 1840839869 JKWUQLICYWFWBH-QFBILLFUSA-N 379.457 -0.229 30 20 GBED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840918041 CNYUQMLXRWKFHQ-LJQANCHMSA-N 394.472 -0.121 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1841056184 VURJJTYOPOUQTP-OOFWQKGWSA-N 393.440 -0.336 30 20 GBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 56139926 BSWSCWCTVYCRTG-LLVKDONJSA-N 394.496 -0.302 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)cc1 263816415 KXMHMDOJQZRUIK-AWEZNQCLSA-N 375.406 -0.121 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CSc2nnnn2C2CC2)CC1 264155741 JJLWSQWYKXKQOF-UHFFFAOYSA-N 377.474 -0.616 30 20 GBED N#Cc1c(CCCNC(=O)CN2CC(=O)NC2=O)nn(-c2ccccc2)c1N 264767168 UVPRSUXRLXKXLB-UHFFFAOYSA-N 381.396 -0.073 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 286722758 RCLZWLJHZPXYAY-UHFFFAOYSA-N 377.489 -0.824 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NC[C@@H]1CCCN(C(N)=O)C1)c1cc[nH]n1 293101960 UHUREUGGHZREPN-RIVUKREYSA-N 380.405 -0.400 30 20 GBED C#CCOc1ccc(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 297360140 CZIKOYIBHWXNAI-UHFFFAOYSA-N 383.412 -0.261 30 20 GBED C[C@H](O)CN(C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@H](C)CO 297748694 LJQZMIQBCHMMMA-CVEARBPZSA-N 388.468 -0.207 30 20 GBED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCO1 297862112 OLQNVUJOILSJCW-QGZVFWFLSA-N 399.451 -0.824 30 20 GBED N#Cc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 299628795 IYUWPVVIKDJSAA-LSDHHAIUSA-N 385.467 -0.666 30 20 GBED CCc1cc(C(=O)N2CCN(C/C(O)=N/[C@@H]3CCS(=O)(=O)C3)CC2)n[nH]1 329580885 LEMBYFXXVFTLPQ-CYBMUJFWSA-N 383.474 -0.127 30 20 GBED Cc1cncc(NS(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)c1 349453733 FMFLLMWLTKUCDP-UHFFFAOYSA-N 388.471 -0.188 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 409497823 FWFOXXNMSIPIMW-CQSZACIVSA-N 392.547 -0.092 30 20 GBED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 423083036 GBPSBDUNPSZWDF-QGZVFWFLSA-N 383.452 -0.061 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]2OC(F)F)CC1 430785019 SKCWSZHNUBSJDP-CHWSQXEVSA-N 388.415 -0.291 30 20 GBED CN1CCC[C@@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1=O 498827861 KIJOZWLQRGSJED-IAGOWNOFSA-N 383.452 -0.040 30 20 GBED C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 498867510 PAMBBLGVCZLLIK-JTQLQIEISA-N 377.426 -0.200 30 20 GBED N#CC1(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCC[C@@H]3C(N)=O)cc2)CC1 519705795 IVMZYUOSNHMHNS-CYBMUJFWSA-N 398.466 -0.341 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N=c2nc[nH]n2C)cc1 577292514 JLVNXKIHGJGDFO-LLVKDONJSA-N 398.470 -0.040 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)C1=O 586841175 WAYVWYNIMLBQGE-ZDUSSCGKSA-N 378.429 -0.026 30 20 GBED CS(=O)(=O)N1CCN(CCNC[C@@H](O)COc2ccc(CC#N)cc2)CC1 591729200 KNOBQAHTXINEMI-QGZVFWFLSA-N 396.513 -0.341 30 20 GBED CC(C)(O)CNS(=O)(=O)CCCS(=O)(=O)Nc1ncc(C#N)s1 594637771 WTNQXBZEYOYZPN-UHFFFAOYSA-N 382.489 -0.163 30 20 GBED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(N)=O 610358246 QHTUZJWUXKUKQV-UHFFFAOYSA-N 399.432 -0.865 30 20 GBED CS(=O)(=O)Cc1nc(=NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)o[nH]1 613206184 YEMVWUKDJQVRIC-UHFFFAOYSA-N 391.413 -0.343 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)c1 657100628 STFAYIOFUQOZST-ZIAGYGMSSA-N 388.467 -0.307 30 20 GBED C#CCC(C)(C)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 767297555 JEQYNIVTIQVVTP-ZDUSSCGKSA-N 376.500 -0.303 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCN([C@@H]2CCOC2)CC1)c1cc[nH]n1 772359858 WRUKZLZKZLRVFK-CYBMUJFWSA-N 379.417 -0.373 30 20 GBED CC(=O)N1CCN(S(=O)(=O)NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 813947692 TXMLICVLNFDXNJ-GFCCVEGCSA-N 380.426 -0.149 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCNC(=O)[C@@H]1CC(=O)O 827760306 IYKGFKBKPCTYEB-MFKMUULPSA-N 394.409 -0.973 30 20 GBED C#CCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N[C@@H](C)C#N)cc2)CC1 848638760 LGBKVRICBDHCJC-AWEZNQCLSA-N 396.494 -0.184 30 20 GBED C#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)Nc1nc2ncccn2n1 848958429 NVRCXPZTMWUHTN-UHFFFAOYSA-N 398.470 -0.317 30 20 GBED CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCCNC(=O)C1 848959625 NLGNGAKBNIRICF-GFCCVEGCSA-N 380.492 -0.908 30 20 GBED C=CCNC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 916916705 AFEWVDZMMZKICW-AWEZNQCLSA-N 390.421 -0.568 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccn3c(O)nnc23)C1 1024762750 SJBIOIBEXPFUTP-ZRJCITRHSA-N 387.396 -0.673 30 20 GBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)nn1 1041425377 BIWSLYJJBVJVEM-WFFHOREQSA-N 387.318 -0.640 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@@H](C)NC(N)=O 1109278682 YWVFPEMRHWVKFU-KBXIAJHMSA-N 378.477 -0.083 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)C(=O)NC(=O)NC)nn1 1111112675 YQLITTHKZJZIND-SFTQSGBHSA-N 375.433 -0.357 30 20 GBED CC#CCN[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C[C@@H]1n1ccnn1 1130037932 CPRQHHIOFUHURO-ZJPYXAASSA-N 383.456 -0.055 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NCC#N)C1 1130038229 SVNQHLGAFCDTKG-IVSAIRAKSA-N 387.444 -0.759 30 20 GBED CC#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2OCCO[C@H]2C)n1 1130216207 QQSWBZNICKCCGH-YXWQFLTLSA-N 377.445 -0.290 30 20 GBED COCC#CCN1CCC2(CC1)CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1COC[C@@H]12 1205510863 KTOCIPIBRBLVNX-LTIDMASMSA-N 375.469 -0.303 30 20 GBED C=C(C)CN(CC)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 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C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC(=O)NC)CCO2 1831263638 FEHJXBOYOFIPEX-QGZVFWFLSA-N 385.486 -0.502 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnco3)C2)C1 1831386540 HNXUBZOADWQZTQ-RDTXWAMCSA-N 377.397 -0.217 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833478099 DWJPZYFSVUQVDH-SJCJKPOMSA-N 397.453 -0.526 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1837403229 PNCJBMNGQMAOEB-OXJNMPFZSA-N 395.500 -0.423 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3)C2)C1 1840042495 XRWQWFBYYLCPQE-GOSISDBHSA-N 391.355 -0.621 30 20 GBED C[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1(F)F 1840045198 WKZCSVGYTQIIFQ-CVEARBPZSA-N 386.351 -0.424 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1840161939 GRXKZBDZJIWXKA-ZBEGNZNMSA-N 385.442 -0.445 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H](O)CN2C[C@H](C)O[C@H](C)C2)c1=O 66483053 KVAOIPXAMJDGNF-ZNMIVQPWSA-N 380.445 -0.986 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCN(C(N)=O)CC1 268839378 QELHVKMRMBQKKK-LBPRGKRZSA-N 379.442 -0.162 30 20 GBED C=C(C)CN(CC)C(=O)[C@H](C)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 276483014 SZIHSNOQMHMROW-AWEZNQCLSA-N 378.477 -0.238 30 20 GBED Cn1cc(/C=c2/s/c(=C(/C#N)C(=O)N3CCOCC3)n(C3CCC3)c2=O)cn1 292535944 VZPDMWSPUHNFKD-ZWWMINTRSA-N 399.476 -0.270 30 20 GBED C[C@@H](/N=C(/O)Cn1c(=O)cnc2ccccc21)C(=O)N1CCS(=O)(=O)CC1 329298600 ULVPQDIDZVMBOA-GFCCVEGCSA-N 392.437 -0.002 30 20 GBED C=CCN1CCC(NC(=O)N2CCO[C@H](CNc3nccn(C)c3=O)C2)CC1 333155932 MKCGPVKRGYHIID-MRXNPFEDSA-N 390.488 0.253 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[S@@](=O)C[C@@H](C)C1 349456937 JVWXFQCUTCLGJP-UTWWPYJBSA-N 399.560 -0.372 30 20 GBED N#CC1CN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@@H]2C#N)C1 349508229 WPEOCUAWOKUGHH-LBPRGKRZSA-N 378.501 -0.568 30 20 GBED COc1cc(N2C[C@H](C(=O)NCC(=O)NCC#N)CC2=O)cc(OC)c1OC 376199853 WEHLMSDWFPMFHL-LLVKDONJSA-N 390.396 -0.179 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H](CO)[C@@H](O)C3)CC2)c(Cl)c1 410900002 ORWIGUJOPIWFED-BBRMVZONSA-N 392.843 -0.328 30 20 GBED COc1ncc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)cc1C(N)=O 438754194 CHYFFGFWYUXCQG-UHFFFAOYSA-N 376.417 -0.178 30 20 GBED CC(C)[C@H](NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N)C(=O)N1CCOCC1 441433250 IBFSBZGKMNFDEY-AWEZNQCLSA-N 390.444 0.274 30 20 GBED CCOC(=O)COCCNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 452697059 SEXXQVOKRKTMHO-UHFFFAOYSA-N 383.426 -0.125 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 537151753 FXVQVQGGLWDVRN-UHFFFAOYSA-N 398.427 -0.543 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)CC)CC2)CC1 553396183 XQKREYJBIATWNV-UHFFFAOYSA-N 386.518 -0.363 30 20 GBED N#CCN1CCC(NC(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)CC1 586850219 RABWXVBPYMKJCG-UHFFFAOYSA-N 389.431 -0.295 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(CS(N)(=O)=O)c2)C1=O 589187094 XMCFMZNORGERKQ-UHFFFAOYSA-N 394.409 -0.932 30 20 GBED Cc1nc(NC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)ccc1C#N 595150246 DLJDITCOILXRLX-UHFFFAOYSA-N 380.430 -0.849 30 20 GBED CCCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n(CCOCC)c1=O 596175164 QGPOOTBWCLITKQ-UHFFFAOYSA-N 389.481 -0.198 30 20 GBED C=C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 596656800 GAWQQGZLVCTMGR-ZDUSSCGKSA-N 385.398 -0.017 30 20 GBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC1(C#N)CCN(C)CC1 610240284 KBPWZOAZXORARD-GFCCVEGCSA-N 382.490 -0.192 30 20 GBED CCNC(=O)NC(=O)COC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745495866 ISPWFAVKOSDLSK-JTQLQIEISA-N 396.425 -0.107 30 20 GBED N#Cc1cccc(CNC(=O)COC(=O)C2CCN(S(N)(=O)=O)CC2)c1 746567991 AMYYYMVGJJJCRU-UHFFFAOYSA-N 380.426 -0.367 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2ccc(-n3cccn3)cc2)c(=O)n(C)c1=O 771892684 UJMQMZCWBCRVIF-UHFFFAOYSA-N 388.409 -0.418 30 20 GBED C[C@H](OC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)NC1(C#N)CCC1 787720256 JNKXGNPDXOVUBA-AXMVNOCNSA-N 375.381 -0.357 30 20 GBED C#CCN1CCN(C(=O)CN2C(=O)NC3(CCC4(CC3)OCCO4)C2=O)CC1 804911117 IVHMQSYHUGKBCW-UHFFFAOYSA-N 390.440 -0.629 30 20 GBED CON(C)C(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 817790293 BJCWSQNTTZBNEL-UHFFFAOYSA-N 395.441 -0.406 30 20 GBED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn(C)c2)c1=O 838246561 QBVDHYBXRFJGCP-UHFFFAOYSA-N 389.481 -0.435 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CC1CCN(S(C)(=O)=O)CC1 848844263 PPEAAIMZWRQNMQ-LLVKDONJSA-N 375.447 -0.008 30 20 GBED C#C[C@H](CC)NS(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 848962894 BQJUYDJTMHDEHJ-CHWSQXEVSA-N 379.529 -0.022 30 20 GBED COC(=O)N(C)CCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 850656596 HGUXKAXIMRCWHO-UHFFFAOYSA-N 391.432 -0.937 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 875193026 LFHYZJLXZXWMSF-HNNXBMFYSA-N 380.489 -0.410 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2n[nH]c(C)n2)C[C@@H]1O 964192908 ICZVRACFZBARGT-LOUJCGABSA-N 377.445 -0.285 30 20 GBED Cn1c(O)ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)c1=O 1004894891 BAZKNYSGHAKCQR-BNOWGMLFSA-N 382.380 -0.139 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1O 1023941895 GANVZPXVAPTQTR-HZMVEIRTSA-N 393.484 -0.086 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnc3[nH]nnc23)C1 1024889864 LNLQUPWEVDQAGU-ZRJCITRHSA-N 386.412 -0.364 30 20 GBED CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)c(C)n1 1093029961 PMQQVZJVRAJLKM-MCIONIFRSA-N 378.458 -0.459 30 20 GBED C=CCN1CC[C@H](N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2c(O)nnc2O)C1=O 1098287890 ZBLHUHCVUAZZTD-NDBYEHHHSA-N 376.417 -0.802 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C12CCN(CC1)C2 1109981069 LPBIXMDGLVGNST-ILXRZTDVSA-N 375.473 -0.185 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCOC[C@@H]2CCO)CCN1Cc1ccccc1 1120507324 JPEIIIRPHDQDDT-ROUUACIJSA-N 386.452 -0.167 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)n2)cc1 1318994679 ZFJLTSDQLAVCHT-AWEZNQCLSA-N 394.395 -0.627 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCc3nc(COC)nn3C2)CC1 1323246098 KPWFSCUFRBHOQH-AWEZNQCLSA-N 376.461 -0.378 30 20 GBED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1332058229 NRZJBQRJOBKOEC-HRCADAONSA-N 375.473 -0.050 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](Cc2ccncc2)C(=O)OC)C1=O 1338843517 HVCYBJCVPIQCTQ-CYBMUJFWSA-N 388.380 -0.494 30 20 GBED C=CCn1c([C@@H]2CCNC(=O)C2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1356040786 MGXXXILKBVAHDI-CQSZACIVSA-N 387.488 -0.142 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[nH]n3)C[C@H]2O)c1 1571140065 OKKNCRMTNOSLNZ-TZMCWYRMSA-N 379.384 -0.169 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC/C=C/CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1573285822 OFQMISWMFLZZKP-BWPKMQGJSA-N 382.428 -0.305 30 20 GBED C=CCn1cc(C(=O)N2CCC[C@H](NC(=O)[C@H](C)OCc3cnn[nH]3)C2)nn1 1575112286 SKFRYKVBDCSECA-STQMWFEESA-N 388.432 -0.092 30 20 GBED N#Cc1ccc2c(c1)N(C(=O)CCn1cc(-c3nn[nH]n3)c(O)nc1=O)CC2 1581874371 PDTQFPUEWMQCIQ-UHFFFAOYSA-N 378.352 -0.020 30 20 GBED Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCN(CCC#N)CC3)c(CCO)c2=O)n1 1587546492 WMDRVNSLTQQJGP-UHFFFAOYSA-N 399.455 -0.221 30 20 GBED C#Cc1ccccc1CC(=O)NC[C@H](O)CN=c1cc[nH]c(-c2nn[nH]n2)n1 1588376941 NDBHRWVZJKDQRQ-CQSZACIVSA-N 378.396 -0.808 30 20 GBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nn[nH]n3)cn2)C1 1588502973 VOFDRXMTLZCWLS-IAGOWNOFSA-N 388.432 -0.251 30 20 GBED C#CCN1CCC(C(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C2)CC1 1602718071 MDOCLGGRGCQHBG-AWEZNQCLSA-N 381.444 -0.303 30 20 GBED CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1747111964 NWCMAILCCPESTP-LSDHHAIUSA-N 387.437 -0.194 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCCC3)C[C@@H]21 1791079309 HMUKNPYEFUQDRO-JYJNAYRXSA-N 377.441 -0.460 30 20 GBED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4ccncc4=O)C[C@@H]32)CCC1 1792142240 XOQVBLHZUCYRAF-JYJNAYRXSA-N 399.451 -0.083 30 20 GBED C[C@@H](Nc1nccs1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1796416354 AXACIUIRGQXNNN-MCYUEQNJSA-N 392.437 -0.379 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)OCO2 1796787534 ZPHQHFBKNLRRBC-IVWMJMPLSA-N 386.360 -0.294 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)n(C)n1 1798755806 MLGQUOVLMJYBKZ-VWPFQQQWSA-N 390.440 -0.330 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccn3n1)C2 1800775965 MEACEOQOTNTQDZ-DRXBFXEBSA-N 383.364 -0.980 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1830056315 SHTALQBJAUYZIK-KRWDZBQOSA-N 377.401 -0.265 30 20 GBED CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838740511 OVPYIESSAYHUNW-SFHVURJKSA-N 389.412 -0.908 30 20 GBED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C1(O)CCC1 1840039762 ABQNQSDLHBKNSB-KBXCAEBGSA-N 394.424 -0.918 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1840041330 GPKADJHHNLLVDU-OAQYLSRUSA-N 396.399 -0.418 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043664 NHDHUJAWNRXVIC-KBXCAEBGSA-N 395.412 -0.668 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1840167308 ISUGKGFTYFTABB-KRWDZBQOSA-N 386.470 -0.709 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 52115541 WTHHPASAXWDHND-UHFFFAOYSA-N 393.465 -0.096 30 20 GBED C[C@@H](NC(=O)CNC(=O)Cn1c(=O)c(C#N)cn(C)c1=O)c1ccc(F)cc1 270565706 LHZSVTGVNVGHNW-LLVKDONJSA-N 387.371 -0.449 30 20 GBED CNC(=O)[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 277282536 SKUZFQNVOFCPBM-HZPDHXFCSA-N 385.424 -0.184 30 20 GBED CC[C@@]1(C)NC(=O)N(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1=O 278730481 HYEUATORDOCECC-OAHLLOKOSA-N 379.398 -0.412 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCN(C[C@@H](C)O)C[C@@H]1C)c1cc[nH]n1 281602577 OAODGPRDPMULFQ-PAJRMSSHSA-N 381.433 -0.393 30 20 GBED CCS(=O)(=O)N(C)C1CCN(/C(O)=N/CCN2CCCS2(=O)=O)CC1 330677294 BDEDAWXSFOTJRG-UHFFFAOYSA-N 396.535 -0.318 30 20 GBED C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1S(=O)(=O)NC1(C#N)CC1 349471922 OUDWXEKIRBATRD-LLVKDONJSA-N 398.466 -0.470 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nn(C)cc2C#N)C[C@@H]1O 349523785 MLPYONMDFDCZBB-JQWIXIFHSA-N 391.475 -0.934 30 20 GBED CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CC[C@H]1O 349543496 ZBGOUXDHOJVWQA-VXGBXAGGSA-N 391.475 -0.651 30 20 GBED C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nn(C)cc2C#N)CO1 349573286 KZMKNKLWCDUGQJ-ZYHUDNBSSA-N 391.475 -0.480 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2CN2CCCC2=O)C1=O 369182511 CVPIXLKTLWNEPH-CYBMUJFWSA-N 376.413 -0.033 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 372848740 JAWKOTLWXGQKFE-KGLIPLIRSA-N 390.506 -0.241 30 20 GBED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C[C@@H](C)O1 408329391 MQIAYCOXDYNXMH-CHWSQXEVSA-N 381.458 -0.002 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)CCO1 409484700 HRBMWHNKQUKUGQ-XNJGSVPQSA-N 387.421 -0.199 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@@](C)(C(=O)O)C1 422907290 WUUNWENVJJOOBB-KPZWWZAWSA-N 386.412 -0.291 30 20 GBED COC(=O)CN(CC#N)C(=O)Cc1c(C)nn(-c2cncc3nnnn23)c1C 440841965 CZFGWTGNSBDGKC-UHFFFAOYSA-N 383.372 -0.610 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2C(=O)NCC(F)F)C1=O 456469171 HSKWZFAWFFICSA-JTQLQIEISA-N 386.355 -0.274 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)CC1 459881673 FHFGTKZOROIRFY-QKPAOTATSA-N 376.457 -0.931 30 20 GBED CNC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 468078725 JQMBLKIPULEIQR-LLVKDONJSA-N 399.386 0.351 30 20 GBED CN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 494536813 OXRVIKOHSJXFTL-AWEZNQCLSA-N 376.438 -0.131 30 20 GBED COC(=O)[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 513384302 WAPVQRMMLYQBMG-IUODEOHRSA-N 395.437 -0.032 30 20 GBED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CC(N)=O 527280017 DFUZYFTXIXSFGV-UHFFFAOYSA-N 387.465 -0.099 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)CC1 601465915 VVDXDNIZSKEOPW-QGZVFWFLSA-N 377.489 -0.385 30 20 GBED N#Cc1ccc(CNC(=O)CN2C(=O)N[C@@H](CC(=O)N3CCOCC3)C2=O)cc1 603614685 NASZWDSXSZXVDR-HNNXBMFYSA-N 399.407 -0.656 30 20 GBED Cn1cnc2c1c(=O)n(CC(=O)OCCNc1ncccc1C#N)c(=O)n2C 732504277 OVKJOZBQZHPAEH-UHFFFAOYSA-N 383.368 -0.644 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)Nc2nc(CC(=O)O)cs2)CC1 736075692 BKYGCJMEKJXSOD-UHFFFAOYSA-N 379.442 -0.924 30 20 GBED CCc1nnc(S)n1CCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 743665747 STODBHGOWBNCAA-UHFFFAOYSA-N 394.482 -0.016 30 20 GBED CCn1cc(C#N)c(=O)n(CCCN2C(=O)CS/C2=C/C(=O)OC)c1=O 748590502 ZKAPTRSMFMCJCS-NTUHNPAUSA-N 378.410 -0.119 30 20 GBED CNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767635149 GKIUVZZZYOSMCE-ZJUUUORDSA-N 382.398 -0.388 30 20 GBED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)NC2=O)cc1C#N 784860749 ALJZKXNQJSXIKQ-GFCCVEGCSA-N 387.352 -0.013 30 20 GBED CC(C)CN1CCO[C@H](CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)C1 785399425 QAZQFYINENJRJL-MRXNPFEDSA-N 388.472 -0.046 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](N3CCCC3=O)C2)c1=O 790455284 APTXWWBOKQVRFL-AWEZNQCLSA-N 375.429 -0.802 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)C1 838550754 AIPHSGPFLQILBL-NNYUYHANSA-N 377.401 -0.341 30 20 GBED C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N=c2nc[nH]n2C)cc1)C(C)C 848637817 XELIMAQCPROBFC-AWEZNQCLSA-N 397.482 -0.026 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](O)C(F)(F)F)cc1 848639206 QSAJNOPLGWWIAX-JTQLQIEISA-N 387.361 -0.310 30 20 GBED C#CCN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2ncccc21 848962038 VZNQNTVQJMLCFR-UHFFFAOYSA-N 386.499 -0.048 30 20 GBED C=CCCO[C@H](C)C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 921218489 XNVUUQOIUGKBRT-HUUCEWRRSA-N 388.486 -0.158 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1O 1023942414 VYSCKLBGKBJLLS-LWGWVAHUSA-N 393.440 -0.805 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@H]1O 1023962371 UQFGCVYCFPWUEF-XOUADPBQSA-N 390.440 -0.304 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cn(CC)nn2)C1 1025058241 VYTCFCAWMSDUDE-FPCVCCKLSA-N 377.445 -0.490 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)c1cscn1 1109939159 BUTNNPHXSGXABE-DYEKYZERSA-N 375.454 -0.656 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 1260263002 GGWNGEHKHSUPCI-AWEZNQCLSA-N 399.403 -0.724 30 20 GBED C=C(C)Cn1c([C@H]2CNC(=O)C2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1263294665 DKNQYFLCZFCCTL-CHWSQXEVSA-N 382.490 -0.024 30 20 GBED C[C@@H](CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)CN1CCN(C)CC1 1322199664 XLVCFPDZLBVMHK-VUAZUDAXSA-N 378.477 -0.305 30 20 GBED C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1323034945 OHRZPZSWCMBORW-GFCCVEGCSA-N 379.442 -0.849 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCOc1ccc(Cl)cn1 1323890442 FMYUZXLHBMMVDC-UHFFFAOYSA-N 375.834 -0.053 30 20 GBED CS(=O)(=O)N1CCCN(C(=O)C(=O)NCc2cccc(OCC#N)c2)CC1 1324649710 DHLXKXKKWAUPRN-UHFFFAOYSA-N 394.453 -0.301 30 20 GBED CC(C)(CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)S(C)(=O)=O 1325431232 LHELMZFOMACBKB-UHFFFAOYSA-N 393.469 -0.459 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)C1 1326897267 DOQFSZFEGBXHCY-XLIONFOSSA-N 386.452 -0.254 30 20 GBED CCCn1nccc1C=c1sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c1=O 1327688008 MZDAYGSYDJJLAB-UHFFFAOYSA-N 391.478 -0.412 30 20 GBED CN1C(=O)CC[C@H](NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1=O 1329198392 OBOZKYCTLMWUHV-AWEZNQCLSA-N 398.423 -0.698 30 20 GBED C=CCn1c([C@@H]2SCCNC2=O)nnc1N(C)CC(=O)N1CCOCC1 1340235834 VQLYDAWJHTVGDU-ZDUSSCGKSA-N 380.474 -0.337 30 20 GBED CC(C)CO[C@H]1CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1342099681 PBKPUTBXQCGTQT-PVEMMZBWSA-N 378.429 -0.098 30 20 GBED Cc1cc(C)n2ncc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)c2n1 1343441622 GTIHSTDYJMZOGH-GFCCVEGCSA-N 375.410 -0.074 30 20 GBED Cc1nc(N2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)ccc1-c1nn[nH]n1 1571141198 VYOIQXPGQKDDOY-ZIAGYGMSSA-N 379.384 -0.251 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@H]1OC 1573310600 YHSLVNYADLKARM-PBFPGSCMSA-N 388.432 -0.388 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)c1 1573369037 VVURWTAUQPKEST-QWRGUYRKSA-N 383.426 -0.142 30 20 GBED C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN 1574485506 DHHLKZMJXIGRKW-ZIAGYGMSSA-N 384.506 -0.192 30 20 GBED C#CCNC(=O)[C@H](C)N(C)C[C@H](C)NC(=O)C1CCN(Cc2cnn[nH]2)CC1 1574986180 UNUQJNJXECYJMO-GJZGRUSLSA-N 389.504 -0.409 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ccccc2C(=O)O)CC1 1588485158 FGJXCNMADLQQMA-UHFFFAOYSA-N 379.438 -0.071 30 20 GBED CO[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1591469093 MTCDOONVNMXGPP-ZIAGYGMSSA-N 395.383 -0.336 30 20 GBED N#Cc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)nc3)C[C@@H]2O)c[nH]1 1606359635 BXKDWLQPJRGXPK-ZFWWWQNUSA-N 379.384 -0.169 30 20 GBED N#Cc1cnccc1N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 1606389498 PFJQVRAWIMPYJU-ABAIWWIYSA-N 379.384 -0.169 30 20 GBED N#C[C@]12CN(S(=O)(=O)c3cccc(CC(=O)O)c3)C[C@H]1CS(=O)(=O)C2 1608190844 DWMBNBMQDJZGGB-SWLSCSKDSA-N 384.435 -0.127 30 20 GBED CN1CCN(CCN(CC(=O)O)C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1610133099 DFWUKGYWLIXEQL-ZCXUNETKSA-N 393.444 -0.937 30 20 GBED CC(=O)N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C(C)(C)C 1783558819 ZPSXSLLKFNEGLG-APWZRJJASA-N 393.440 -0.545 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(CO)c(F)c1)CCO2 1783568466 XPYPZLDDTMRCLG-LJQANCHMSA-N 390.367 -0.151 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784740995 UIEBRPVMDQRIPM-WMLDXEAASA-N 386.470 -0.711 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)[C@H]2C1 1791343059 NHDWVBJVPJOIDK-XAJHFOFHSA-N 391.468 -0.469 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C 1792628288 RCBWZPHSAYAGHN-AYDFFVQHSA-N 397.476 -0.352 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncc(Cl)cn1 1794542767 YEMCUBJSOBTRPV-WDAIWFPHSA-N 378.772 -0.579 30 20 GBED NC(=O)[C@H](N)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795275850 UZNFMQLDNHSZSJ-AXVVYFOYSA-N 398.463 -0.780 30 20 GBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 1796959004 FWDONOVGGVAGAN-WISYIIOYSA-N 376.442 -0.354 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 1801069442 GSWXBDBOPQQUEP-JGFGOLAASA-N 394.472 -0.097 30 20 GBED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O 1801120862 FPDHVOIEXJPOPS-DRXBFXEBSA-N 397.378 -0.288 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)C(F)(F)F 1802383206 NNKBPTFKPVIASL-ILWJIGKKSA-N 375.303 -0.609 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CN)[C@H]2c2cccnc2)c1 1811534460 ASNGLPLVCXWTLL-ZOBUZTSGSA-N 381.440 -0.113 30 20 GBED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CNC(=O)O2)n[nH]1 1815279046 AVGGNDBGXBRRCI-QWRGUYRKSA-N 375.341 -0.402 30 20 GBED Cc1noc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)n1 1835342635 ZSCJSWARAWPARQ-GOSISDBHSA-N 389.412 -0.319 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)CC1 1835343022 XYSSKEGHPGPNHV-LJQANCHMSA-N 390.440 -0.631 30 20 GBED C[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446995 SMWBBYVHLZOTSL-BQUHMRARSA-N 382.461 -0.705 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CN(C)C1)CCO2 1840569131 IFVFWVQLLDQACY-SFHVURJKSA-N 383.514 -0.076 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCCN2CCC[C@@H]2C(N)=O)cc1 264611756 ZRCWGUHVJHFSDF-MRXNPFEDSA-N 392.481 -0.332 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1)c1cc[nH]n1 276604562 OTTJXIKGCPBYGR-SGOWGGACSA-N 377.401 -0.179 30 20 GBED C#CCCN1CCN(C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 279822424 PNEJULYDWOAERB-SFHVURJKSA-N 376.457 -0.231 30 20 GBED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 293209100 BBRLUBZSONMCFB-OAHLLOKOSA-N 384.436 -0.098 30 20 GBED CC(=O)N1CCC[C@@H](C/N=C(/O)N2CCN(C(=O)C(=O)NC(C)C)CC2)C1 331082337 ZPRIJVHTRIPTEF-HNNXBMFYSA-N 381.477 -0.172 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CCS[C@@H]2COCC[C@@H]21 349504806 SNMSSCLJOZJJDW-NWDGAFQWSA-N 383.517 -0.644 30 20 GBED CN1CC[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)C1=O 349544626 BOZIIMPDVRPYJL-NSHDSACASA-N 380.492 -0.910 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@@H](O)C[C@@H]3CO)n2)c(Cl)c1 442266993 KIUDHPKBEJIDTE-NEPJUHHUSA-N 389.799 0.290 30 20 GBED C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 442529989 SXKWDCCIZSFALR-CZUORRHYSA-N 398.423 0.135 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO 443814030 GITWEBGDXDEQIQ-OLZOCXBDSA-N 386.412 -0.024 30 20 GBED CN(C)CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N(C)CCC#N 513086909 WZEDRKCRAJYNOU-INIZCTEOSA-N 381.502 -0.045 30 20 GBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@H](O)COc1ccc(C#N)cc1 532666308 YIJFMPBUSRDTTE-GJZGRUSLSA-N 381.454 -0.467 30 20 GBED N#CC1(NS(=O)(=O)c2ccc(S(=O)(=O)NC3(C(N)=O)CC3)cc2)CC1 584665461 NJTBTZLLICVKQJ-UHFFFAOYSA-N 384.439 -0.683 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1cccnc1 609038135 GDDLUEVMJWZXDW-UHFFFAOYSA-N 394.460 -0.470 30 20 GBED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2cn(C)c(=O)n(C)c2=O)cc1 735205110 ABSKWMDBHFRMOP-AWEZNQCLSA-N 384.392 -0.226 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCO1 742633475 DMVHLXIRCTWJIQ-AAEUAGOBSA-N 395.437 -0.096 30 20 GBED C#CCNC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1cnn(C)c1 751368949 QCDFXYQJLOQUJC-UHFFFAOYSA-N 375.410 -0.300 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCCC(=O)OC)c1 753659859 WQPVOSZCRILCNO-UHFFFAOYSA-N 382.394 -0.566 30 20 GBED O=C(C#Cc1ccccc1)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 773455290 WOPBCNLYUXYXNM-KRWDZBQOSA-N 390.461 -0.087 30 20 GBED C=CCS(=O)(=O)CCNC(=O)[C@@H](CC)N=c1nn[nH]n1-c1ccccc1 783617601 FQVCRMCJEBJVPO-CQSZACIVSA-N 378.458 -0.008 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCN1CCOCC1=O 785300467 JPJIVDUHKZBAER-LBPRGKRZSA-N 381.410 -0.373 30 20 GBED C#CCC[C@@H](O)CNC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 798411796 AYDQHRDWRXHRGV-OAHLLOKOSA-N 383.470 -0.127 30 20 GBED C#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 816674610 FXXBQPJVGBMZEY-CQSZACIVSA-N 395.481 -0.113 30 20 GBED O=C(N[C@H]1CCCN(O)C1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 848138728 SZHWQKKETMKLLD-AWEZNQCLSA-N 383.426 -0.183 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 854883227 VPDNKYSIQLCHKF-GFCCVEGCSA-N 395.437 -0.053 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)NCCCS(=O)(=O)NC)ccc1F 863434277 QQYFFYNQWZFAMA-UHFFFAOYSA-N 393.462 -0.041 30 20 GBED Cn1c(=O)ccn(CC(=O)[C@@H](C#N)c2nc(N)nc(Nc3ccccc3)n2)c1=O 916880380 MGDZOROWPYHCSE-GFCCVEGCSA-N 392.379 -0.066 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@@H]1O 964489489 HFKKGNDMJLIKIG-LMWOUKEDSA-N 376.413 -0.937 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccnn2CCOC)C1 967890087 UNWKJCYZPLMMJF-VDERGJSUSA-N 378.429 -0.578 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cn(C)nc2Cl)C[C@@H]1O 970707843 WRCRTKPNDQKGQI-MQYQWHSLSA-N 382.848 -0.105 30 20 GBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2CC)nn1 984892307 FZFOQXIXTGFYQX-PMOUVXMZSA-N 390.444 -0.394 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4OCCO[C@H]4C)[C@@H]3C2)nn1 1022006279 OOTAKNWBPDHCCL-UGQVUOCMSA-N 375.429 -0.059 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@@H]1O 1083853218 IXTGWUNAGOHFQG-FZKCQIBNSA-N 387.502 -0.836 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CNC(=O)c2ccccc21 1110677800 BJTNQJJLBHOBKC-ZFVVBOAOSA-N 381.436 -0.125 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccccc1-n1cnnn1 1111383065 AVTUXEZZQBWZHG-UNEWFSDZSA-N 379.424 -0.253 30 20 GBED CC(C)CNC(=O)[C@H]1CSCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1136073241 WVNKOAYDBVGMHK-GFCCVEGCSA-N 379.442 -0.116 30 20 GBED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCS(C)(=O)=O)n1 1304763284 PIIGYTPRHDICOB-CQSZACIVSA-N 393.473 -0.087 30 20 GBED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(CCO)CC3)C2=O)cc1 1319391564 PRGATVQHRHXRFG-INIZCTEOSA-N 385.424 -0.100 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2cccc(F)c2)C(=O)C1 1323764691 FYSOREWSVOFBKI-UHFFFAOYSA-N 397.428 -0.282 30 20 GBED N#Cc1cccc([C@H]2CN(C(=O)C(=O)NCc3nnc4n3CCOC4)CCO2)c1 1323828218 IMAZPUUNLVBFRM-OAHLLOKOSA-N 396.407 -0.104 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)C1 1326546364 DJKACFLLOAJZTI-UZLBHIALSA-N 399.451 -0.766 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)C1 1327039756 DOLHJFFDJJTQQF-ABAIWWIYSA-N 390.362 -0.219 30 20 GBED C=CCCSCCNC(=O)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 1330333432 MCEVRXIWOGFKAE-UHFFFAOYSA-N 384.502 -0.393 30 20 GBED C#CC[C@@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC 1334422146 QNUUAVPPWNYUAZ-DZGCQCFKSA-N 396.465 -0.271 30 20 GBED COc1cccc(NC(=O)[C@@H](C#N)C(=O)CN2CCN(S(C)(=O)=O)CC2)c1 1342595379 KSPYROXEZJWDBT-HNNXBMFYSA-N 394.453 -0.080 30 20 GBED C[C@@H]1C[C@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)C(=O)N1c1cnn(C)c1 1346987911 NPGIKWSWBAGJSN-DOMZBBRYSA-N 387.444 -0.866 30 20 GBED CCn1cc(CNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)nn1 1347492399 ZKIZBRWTNZBTDW-UHFFFAOYSA-N 382.428 -0.034 30 20 GBED C=CCn1c(Cn2cc(CCO)nn2)nnc1N1CCN([C@H]2CCOC2)CC1 1356186618 YQPJPBNKTPAHNZ-INIZCTEOSA-N 388.476 -0.450 30 20 GBED C#Cc1cncc(C(=O)NC[C@@H]2CCN([C@@H](C)C(=O)NCc3cnn[nH]3)C2)c1 1575032433 CUIQYIHNNYVSOR-ZFWWWQNUSA-N 381.440 -0.062 30 20 GBED CC(C)(C)C(=O)NCCn1c([C@H]2COCCN2)nnc1N1CCO[C@H](C#N)C1 1575105906 BFLVTIGZUDRPSX-ZIAGYGMSSA-N 391.476 -0.170 30 20 GBED C[C@@H](C#N)C(=O)N1CCC(OC2CN([C@@H](C)C(=O)NCc3cnn[nH]3)C2)CC1 1575175550 BIWGJLUVPHNJDW-STQMWFEESA-N 389.460 -0.339 30 20 GBED C=CCCn1cc(C(=O)N(C)CCCN=c2cc[nH]c(-c3nn[nH]n3)n2)nn1 1588620947 NTJSMFQOGHOHDH-UHFFFAOYSA-N 383.420 -0.180 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(C)COC1 1611711684 RUQDGXDFHXZMBC-VXGBXAGGSA-N 384.462 -0.346 30 20 GBED N#Cc1cn(CCC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c(=O)nc1O 1635125697 GOBYSIBRRCTENG-WFASDCNBSA-N 376.413 -0.105 30 20 GBED CN(C)[C@@H]1CCN(c2ccc(NC(=O)Cn3cc(C#N)c(O)nc3=O)nc2)C1 1636651682 MZJPITHDODXYOS-CQSZACIVSA-N 383.412 -0.005 30 20 GBED CC(C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1741690376 QIODZJFWISASSD-CHWSQXEVSA-N 375.433 -0.127 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N(C)C 1761502961 VDJLMIGJLBTVAH-VXGBXAGGSA-N 399.477 -0.905 30 20 GBED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)N1C[C@@H]2C[C@H]2C1 1778862252 AAZQVIDYCQJACF-QZNHQWIBSA-N 375.425 -0.756 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnn3)C[C@@H]21 1783531240 JZCXJSZLJCYSKS-GLUQJIRCSA-N 399.451 -0.072 30 20 GBED C#CCCCCC(=O)N1CC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1784197593 MGDWFAGPDOBEGF-HNAYVOBHSA-N 378.473 -0.397 30 20 GBED N=C(N)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1786807812 IKLJCRBUHWSLGA-WRCSIGPASA-N 390.444 -0.839 30 20 GBED CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)S)C[C@@H]21 1788616497 OGFQMZHEVHUIAA-CYDGBPFRSA-N 388.559 -0.232 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C[C@@H]21 1790792725 LYSCGPAXMAHVQF-YXWQFLTLSA-N 385.424 -0.792 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1791076584 AHSXEXQFGSYYPW-UZPFABOCSA-N 390.440 -0.474 30 20 GBED CCOC(=O)O[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077539 FSFRGGODACSJRT-RFGFWPKPSA-N 396.396 -0.384 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccn4c(O)nnc24)C3)CC1 1795410182 PIQHYIHSICZRDO-DABQJJPHSA-N 396.407 -0.058 30 20 GBED CN(C)C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1795465320 JYHUMXIZXMKOJK-YWVIFJGQSA-N 388.399 -0.011 30 20 GBED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)ccc1O 1798953823 IKQWFEYYFBJHKI-IVWMJMPLSA-N 388.376 -0.308 30 20 GBED COC(OC)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812872610 GGGKOAQENFMIMN-CZUORRHYSA-N 375.381 -0.206 30 20 GBED Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cs1 1834458789 DSKYGYFJLPHOPZ-KRWDZBQOSA-N 393.421 -0.390 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1834756137 MJIAALWEFOCWPR-KRWDZBQOSA-N 389.368 -0.842 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1835360248 XZESOKCESQZOSJ-KRWDZBQOSA-N 375.385 -0.444 30 20 GBED C[C@H](CN)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674063 DSKORNVSMUELTD-BEFAXECRSA-N 395.504 -0.681 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncon3)C2)C1 1837399550 VZDJKYDCNHYPPK-UGSOOPFHSA-N 394.428 -0.287 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1 1839191768 GJCATERGWMULGT-RDJZCZTQSA-N 390.502 -0.594 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)Cn2ccncc2=O)C1 1845767962 YWYNWFXFJHWZEK-UHFFFAOYSA-N 388.424 -0.044 30 20 GBED N#CCCNC(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 10069509 GATNTJJOIRIXLO-UHFFFAOYSA-N 397.409 -0.301 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1nc2ccccn2c1=O 160765068 ARDYZUOINIAVLR-CYBMUJFWSA-N 378.396 -0.105 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)CC1 183718911 RIAADLSVCKYSGG-AWEZNQCLSA-N 390.406 -0.027 30 20 GBED C/N=C(/NCCn1ccnc1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261652890 ADFBHJMRQRRSCD-UHFFFAOYSA-N 381.462 -0.406 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 268718052 JREPTVAEVFBDBK-WCQYABFASA-N 385.467 -0.129 30 20 GBED COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 297717194 NKNRLETVEUNAJM-MRXNPFEDSA-N 389.456 -0.030 30 20 GBED CC[C@H](CNS(C)(=O)=O)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 298215483 VDXACJNFHHTECJ-CHWSQXEVSA-N 395.489 -0.104 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCc2nc(COc3ccccc3)n[nH]2)CCO1 409500572 KLIYGMCKYWIXGU-CYBMUJFWSA-N 378.414 -0.058 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCO[C@H](COCC3CC3)C2)C1=O 410883226 MERWBCBCVZUZTE-JKSUJKDBSA-N 379.457 -0.114 30 20 GBED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC)cc1 443762991 GNXOIHMFEJKZCN-UHFFFAOYSA-N 383.430 -0.402 30 20 GBED C=CCOC[C@@H](NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)OC 481766513 IXCRSJCBGDIMPA-GFCCVEGCSA-N 385.398 -0.867 30 20 GBED CCS(=O)(=O)N1CC(CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 527133421 DXMFZAUVHMUQAO-UHFFFAOYSA-N 383.478 -0.281 30 20 GBED C=CCN1CCC(NC(=O)C(=O)NCc2cccc(S(=O)(=O)NC)c2)CC1 559791453 SQRXVIIYMNDWCX-UHFFFAOYSA-N 394.497 -0.023 30 20 GBED CSC[C@](C)(O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 572257264 KKFLAYADCJWKPC-CYBMUJFWSA-N 393.512 -0.119 30 20 GBED CN1CCN(S(=O)(=O)CCCC#N)C[C@H]1CNS(=O)(=O)CCCC#N 579481947 WGIMGEGJWBTTHC-CQSZACIVSA-N 391.519 -0.541 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCn2nccc21 583392013 QPIONLXPRAZEBF-LBPRGKRZSA-N 375.476 -0.013 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCn4ccnc4C3)CC2)c1C#N 589145791 VOSYBDWTOAJJHG-CQSZACIVSA-N 396.455 -0.424 30 20 GBED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(N)=O 608911591 KTXRIXXSRMAYII-UHFFFAOYSA-N 386.408 -0.684 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)NCCCN(C)c2ccccc2)CC1 728571719 KNQMARCPMLZIPG-UHFFFAOYSA-N 385.512 -0.004 30 20 GBED O=C(NCc1ccc(C(=O)NO)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1 746267851 CQOWMJLIIYHFRT-UHFFFAOYSA-N 376.394 -0.081 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CC[C@H](S(N)(=O)=O)C2)C1 770794544 KBOXVKLJKQFCCA-SDDRHHMPSA-N 387.462 -0.182 30 20 GBED CCOC(=O)CON=C(C(=O)NCC1CCS(=O)(=O)CC1)c1cc[nH]n1 772432149 DRDWUFRNMBNEEV-UHFFFAOYSA-N 386.430 -0.366 30 20 GBED CC(C)[C@@H](CNC(=O)C(=O)NCCNc1ccc(C#N)cn1)N1CCOCC1 786457976 KAPOHVOQSFVYMO-MRXNPFEDSA-N 388.472 -0.046 30 20 GBED C=CCC1(S(=O)(=O)NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 810981970 JCQQHYPJBUPGMW-UHFFFAOYSA-N 378.410 -0.200 30 20 GBED CCNC(=O)NCCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 817241393 FWCXCMLGFCGELY-LLVKDONJSA-N 381.458 -0.061 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)n(C)n2)CC1 831580094 YTKCAPDOCFUYBX-UHFFFAOYSA-N 390.263 -0.592 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CNC[C@H]2C#N)cc1 843460108 MGUNDCDCOJNSPT-IUODEOHRSA-N 379.442 -0.459 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CN(C(C)=O)C1 960298611 GBWDALKQCQSHRL-FJIDUMEYSA-N 391.468 -0.116 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CC(=O)NC1=O 996977679 XYPIWYZCNFRJDI-MRLBHPIUSA-N 390.440 -0.233 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2NC(=O)NC2=O)cn1 1004741350 WBSLCVZJXOSCID-KBXIAJHMSA-N 381.392 -0.477 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn(CCOC)n2)C1 1024887820 SVVODIVLMOIYOX-SVGFKBNWSA-N 392.456 -0.188 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2OC)C1 1024965260 IZZGROGVXNROEY-MYPMTAMASA-N 378.429 -0.289 30 20 GBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 1044768205 ZCFZYTOPAHWDPC-CABNGKKXSA-N 386.330 -0.035 30 20 GBED O=C(C#CC1CC1)N[C@]1(CO)CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1055938721 KZSRARBGLGOXMR-JSFADZTLSA-N 376.453 -0.079 30 20 GBED C=CCOCC(=O)N1CC2(C1)CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@@H]31)CCO2 1068424455 FQFLFNAOFVEXON-YQQAZPJKSA-N 380.441 -0.320 30 20 GBED COCC#CCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1131369525 LATZXXYOVIKSAS-BCDMZGRMSA-N 375.469 -0.290 30 20 GBED C=CCNC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@@H]2C1 1221814921 JJFAWFHWDINCBZ-APIJFGDWSA-N 391.472 -0.745 30 20 GBED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(C)(=O)=O 1292134113 OASAYVVWPZQLDY-CYBMUJFWSA-N 398.489 -0.030 30 20 GBED C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)[C@H]1CCCO1 1323573179 XUJIFFYXMQMIMW-ZVZLLHMNSA-N 376.413 -0.880 30 20 GBED CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C(=O)N2CCC(CC#N)CC2)C1=O 1327242315 JAZBPMRXEWCSCC-UGSOOPFHSA-N 375.429 -0.025 30 20 GBED C#Cc1ccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)nc1 1328830933 OVYAOJJTHMJBRZ-HNNXBMFYSA-N 390.465 -0.876 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCCN)C1 1331468702 CMOOMTDLAFNLSR-INIZCTEOSA-N 386.452 -0.372 30 20 GBED CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)C1 1335492490 UELBVIWFTKZTGZ-QZTJIDSGSA-N 388.516 -0.576 30 20 GBED CN(CCNS(C)(=O)=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1337827122 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381.444 -0.302 30 20 GBED C#CC[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)C(=O)O 1602693611 ZHXAVBIKJYFDKA-GFCCVEGCSA-N 380.378 -0.316 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1778794799 ZOPPFKYAAGDKCC-SCLBCKFNSA-N 394.428 -0.425 30 20 GBED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781040445 OVNYCSAIOPNVNH-TXPKVOOTSA-N 381.473 -0.478 30 20 GBED C[C@@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1781246611 GCQXNLNIPWJQQU-OXQOHEQNSA-N 391.468 -0.351 30 20 GBED CC(C)c1nc(CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)no1 1783557931 STNLRRQVRLKDGD-SFHVURJKSA-N 390.396 -0.347 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2 1793353731 FEYQLAGLQQHRRF-AYDFFVQHSA-N 381.429 -0.381 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(C)[nH]1 1793532646 BPRWCRAPVBDHLO-OLDVJPBNSA-N 387.440 -0.220 30 20 GBED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)CN)cc1 1796337153 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-0.641 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1840169886 UOLFOUQEWPLCHZ-KXBFYZLASA-N 379.457 -0.229 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1840843557 UPPBHVQPDAOBOI-SFHVURJKSA-N 377.397 -0.350 30 20 GBED CN1CCN(S(=O)(=O)c2ccc(-n3cnnc3C#N)c([N+](=O)[O-])c2)CC1 12527543 AZVURYVHCYRVKH-UHFFFAOYSA-N 377.386 -0.017 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCCN1C(=O)CNC1=O 266538283 DEOYLDUFHGLVFT-UHFFFAOYSA-N 376.344 -0.166 30 20 GBED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 293422841 QCWPQWRPNAOACP-UHFFFAOYSA-N 385.468 -0.372 30 20 GBED COC[C@H](C)NC(=O)/C(C#N)=c1/s/c(=C\c2ccnn2C)c(=O)n1C1CC1 298306846 NEBNEQCKJUBUDX-XVAUBLTJSA-N 387.465 -0.368 30 20 GBED N#Cc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 299628788 IYUWPVVIKDJSAA-CABCVRRESA-N 385.467 -0.666 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N)[C@H](C)C1=O 349472718 HEVWJYZAWJMCEG-QWHCGFSZSA-N 394.519 -0.567 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1c1nncn1C 349495649 MJGVDYQGLAAREG-GFCCVEGCSA-N 390.491 -0.543 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CC[C@H]2O)c1C#N 349590654 QFXKBSBKFCCKOA-VXGBXAGGSA-N 391.475 -0.446 30 20 GBED CCOC(=O)Cn1cnc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 425319583 DEORSDZWQCFYFJ-UHFFFAOYSA-N 392.397 -0.370 30 20 GBED C=C[C@H](CO)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 426847662 HHZVYWGJTVTEPP-HIFRSBDPSA-N 383.470 -0.121 30 20 GBED C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 427040479 IYRBJGLNGNUJLX-AWEZNQCLSA-N 397.439 -0.338 30 20 GBED CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 459865265 LMCSTJRSQWNDJJ-QGZVFWFLSA-N 398.467 -0.268 30 20 GBED N#Cc1c[nH]c(=O)n(CC(=O)NCc2ccccc2CN2CCOCC2)c1=O 516969903 LJRAGCFZWJTYOD-UHFFFAOYSA-N 383.408 -0.443 30 20 GBED N#CCNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 556539962 VFAMUKLUPQSOSR-UHFFFAOYSA-N 384.370 -0.366 30 20 GBED CN([C@H]1CCNC1=O)S(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 570059777 DQDSADUJSJEODQ-ZDUSSCGKSA-N 398.466 -0.470 30 20 GBED CCc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CC(CC#N)C2)no1 595965667 RPRGOBAEPRFVEI-UHFFFAOYSA-N 377.448 -0.061 30 20 GBED Cn1cc(C(=O)[C@@H](C#N)c2nc(N)nc(=Nc3ccccc3)[nH]2)c(O)nc1=O 613295359 AIACABGTSXRIEV-SNVBAGLBSA-N 378.352 -0.091 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O 619711608 VNIJAGRHMSKGDT-DOMZBBRYSA-N 387.462 -0.597 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2c[nH]n3c2nc(=O)c2ccccc23)CC1 728531882 VDFYAOIMCGZTQQ-UHFFFAOYSA-N 392.419 -0.317 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)c(C)o2)CC1 751122660 VUSYWZCFDMVWCO-UHFFFAOYSA-N 383.426 -0.570 30 20 GBED Cn1cc(S(=O)(=O)NN=C2CCCOc3ccccc32)c(=O)n(C)c1=O 771897813 SAYDFPFLEGOVGI-UHFFFAOYSA-N 378.410 -0.061 30 20 GBED C#CCN=c1nc(N2C[C@@H]3CCN(C)[C@@H]3C2)[nH]c(N2C[C@H]3CCN(C)[C@H]3C2)n1 828987693 JOMUIONYRYNOKJ-ZYGGUILKSA-N 382.516 -0.381 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C 848960929 LOTYLEHUBICSFJ-ZDUSSCGKSA-N 379.529 -0.068 30 20 GBED CNS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(OC)c(C#N)cc2F)CC1 861889177 GFSAHOMIVIDQSE-UHFFFAOYSA-N 399.404 -0.747 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 872514915 DATREBCUNBQRPK-UHFFFAOYSA-N 375.447 -0.259 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnn(C)n1 1111145723 TYYTWUXRPONJJI-BYNQJWBRSA-N 375.433 -0.450 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@H](O)C[C@H]3CO)CC2)cc1 1116648538 XPZVAJZWAXUVNE-JKSUJKDBSA-N 393.465 -0.087 30 20 GBED CN(CCN1CCOCC1)c1nnc(C[C@H](O)CC#N)n1C[C@H]1CCOC1 1123088203 FYDVVVPBWHGLBG-HZPDHXFCSA-N 378.477 -0.100 30 20 GBED COCCN(C)CCN1C[C@H](NS(=O)(=O)c2cncc(C#N)c2)CC1=O 1193730959 XNDWFTUEJFDRFO-CQSZACIVSA-N 381.458 -0.589 30 20 GBED CNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1299252893 YYFQRZXOYJPJFK-NWDGAFQWSA-N 382.446 -0.955 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)CC1 1321573990 QKQWPQWNEITFJX-AWEZNQCLSA-N 387.527 -0.810 30 20 GBED C=CCNC(=O)C[S@](=O)Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 1321861880 YWTGNBGNAUBAOW-XMMPIXPASA-N 383.455 -0.383 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(N3C(=O)CNC3=O)c2C)C1=O 1322447380 SCCNEVASQMKTPK-UHFFFAOYSA-N 399.363 -0.033 30 20 GBED COC[C@@H](CNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)OC 1323747170 FVCXMELOKBQCNI-OAHLLOKOSA-N 375.429 -0.184 30 20 GBED CO[C@H](C(=O)NCC#CCNC(=O)[C@H](OC)c1cnn(C)c1)c1cnn(C)c1 1344549601 RFOCFWFVNZCROA-IYBDPMFKSA-N 388.428 -0.535 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CCO1 1344767836 ZJHJGFHBECYARC-CABCVRRESA-N 398.485 -0.410 30 20 GBED CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCO1 1349345604 YZKUKINNLQPCRQ-ACJLOTCBSA-N 396.444 -0.384 30 20 GBED C#CC[C@@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)O 1573302603 ODWMAOVDUGJFKG-CYBMUJFWSA-N 381.410 -0.741 30 20 GBED COCCN(C)CCN1C[C@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)CC1=O 1579791444 RKDUXJBLLYLHQR-LLVKDONJSA-N 386.420 -0.881 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@H]2[C@@H]3CN(c4cnc(-c5nn[nH]n5)cn4)C[C@H]23)c1 1581862626 ISBINLZLRKRRNN-CNDDSTCGSA-N 376.384 -0.031 30 20 GBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588353554 WNEHLIZRJSBIBD-YNEHKIRRSA-N 384.444 -0.037 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2OC)nn1 1588713398 KYUYUJAFMCRRRT-DGCLKSJQSA-N 397.403 -0.932 30 20 GBED N#CC[C@]1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 1592674197 AHJDVXBGLVTIBQ-HNNXBMFYSA-N 391.413 -0.978 30 20 GBED C#CCN(C(=O)NCc1nc(-c2nn[nH]n2)cs1)[C@H]1CCS(=O)(=O)C1 1602714616 XQHLLEVTHKTWIZ-VIFPVBQESA-N 381.443 -0.345 30 20 GBED C#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1602722394 PPUCVHWKJUUOMF-GFCCVEGCSA-N 377.430 -0.953 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C1 1602756735 WYIMJHMRVOXKTO-CHWSQXEVSA-N 385.432 -0.178 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1 1602870267 JFAUWTYQTMYGTR-UHFFFAOYSA-N 392.441 -0.458 30 20 GBED CN(Cc1ccc(OCC(=O)O)cc1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1610122448 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379.457 -0.141 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2 1797712328 CTDCYODZQNWNPM-AHDPXTMNSA-N 392.460 -0.603 30 20 GBED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCNC2=N)C3)cc1 1798920424 ZZHQXWMUQVGPOY-ALXJQNPVSA-N 396.451 -0.399 30 20 GBED NC(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc1 1800778518 DZOLUZVIDSWEPP-XOIINTDNSA-N 385.376 -0.923 30 20 GBED N#CCCC(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1806864246 UKPLPILRQCMHLU-VBQJREDUSA-N 398.423 -0.011 30 20 GBED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1 1808425766 CRSHVSWOHZJXHV-GOEBONIOSA-N 391.424 -0.093 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CN)sc2C1 1817065477 QNAQMRXQMGTRCO-MNOVXSKESA-N 393.517 -0.377 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](N)CN)CC1 1823743593 CZKOLVGCVGDRBG-YHLLGKTKSA-N 391.516 -0.250 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1831397633 UNNOLDCKXBCTLL-NSISKUIASA-N 393.484 -0.377 30 20 GBED N#CCC(=O)N1CCC(N2CCC(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833761170 LZYAEXUHVVNRCB-AWEZNQCLSA-N 390.444 -0.930 30 20 GBED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338666 PRTDVENROMKNGJ-UGSOOPFHSA-N 378.429 -0.742 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1836476597 DJWWGEAKRCACNJ-TXPKVOOTSA-N 379.457 -0.438 30 20 GBED C[C@@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839165453 LPQQLDPCTMCKSK-KDOFPFPSSA-N 378.429 -0.729 30 20 GBED Cc1ccoc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042588 CIALAGRJZSWOLV-SFHVURJKSA-N 376.365 -0.254 30 20 GBED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CN(C)C1)CCO2 1840568608 FATAHFMKQLORPV-FQEVSTJZSA-N 395.500 -0.013 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)N2CCN(C)CC2)C1 1845096830 SLLOENLXVJWEQM-SJORKVTESA-N 376.501 -0.136 30 20 GBED Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)c2ccc(C#N)cc2)n(C)c1=O 18223892 ZALDVZAKZHKYEU-UHFFFAOYSA-N 381.348 -0.269 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CCOc2cccc(C(N)=O)c2)CC1 267572455 JMWKRFBBPOIDFS-UHFFFAOYSA-N 386.452 -0.162 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 282909329 RVKNXSRVQFVLSX-ZDUSSCGKSA-N 393.469 -0.316 30 20 GBED O=C(NCC/N=C(/O)N1CCC(C(=O)N2CCOCC2)CC1)c1cc[nH]n1 329479462 CQWXFEUYSSHRSD-UHFFFAOYSA-N 378.433 -0.376 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2cc(S(=O)(=O)N(C)C)cn2)CC1 330750552 AYISSOZSAFAEFO-OAHLLOKOSA-N 382.490 -0.174 30 20 GBED CN1C[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C2(C#N)CCC2)CC1=O 349618772 RAOWRBDKXAUJGW-GFCCVEGCSA-N 392.503 -0.766 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 409483143 IGOVHNNDFMGNKJ-AJNGGQMLSA-N 396.469 -0.510 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CCO1 409593310 BWJDNCMHNDJXFY-INIZCTEOSA-N 393.469 -0.606 30 20 GBED COC(=O)[C@H]1CN(C)CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 411919156 PMURXKJYPTULBO-DLBZAZTESA-N 379.505 -0.285 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)O)CC2=O)C1 565055580 RIPRTVSFQZBHRC-QWHCGFSZSA-N 388.446 -0.899 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCCS(=O)(=O)N1C[C@H](O)C2(CC2)C1 580583007 XHNGMMGGIVWPQW-LBPRGKRZSA-N 379.504 -0.225 30 20 GBED N#Cc1cccc(NC(=O)C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 583629965 YFCLTCNGKQJWHF-LWWSYDQCSA-N 379.376 -0.185 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](c3nn[nH]n3)C2)cc1 583784301 XJSRRKMCHYGUMJ-LBPRGKRZSA-N 375.414 -0.244 30 20 GBED N#CCNC(=O)CNC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 584368188 CTGYWPHDOZZYLT-UHFFFAOYSA-N 386.455 -0.798 30 20 GBED CC(=O)NCCN(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 592338726 AFTULLFSCJZVNR-MRXNPFEDSA-N 385.424 -0.236 30 20 GBED N#Cc1c[nH]c(=O)n(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c1=O 592354948 DNTQBBKROWLGFD-UHFFFAOYSA-N 397.391 -0.803 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)CCO1 595409710 ZFZSEVQCAUZRKX-SNVBAGLBSA-N 378.407 -0.968 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3(n4cnnn4)CC3)CC2)cc1 596678362 BMXAGEFGMUXNCQ-UHFFFAOYSA-N 387.425 -0.433 30 20 GBED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN(S(C)(=O)=O)CC2)C1=O 725769347 TXSULELUZYCFNA-QGZVFWFLSA-N 391.453 -0.140 30 20 GBED COC[C@@H](C)NC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1 727010718 JPWAGEFCZPMMLX-LLVKDONJSA-N 376.369 -0.308 30 20 GBED CC(=O)N1c2ccccc2C[C@H]1C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732909113 YNIXFZZXWAUNPV-ZBFHGGJFSA-N 389.433 -0.070 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)OCCCS(N)(=O)=O)cc1 735964774 KKUJIVARVUITIF-UHFFFAOYSA-N 375.428 -0.286 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCN2CCN(c3ccccn3)CC2)CC1 746215727 NSHSLOXLECYJIJ-UHFFFAOYSA-N 398.511 -0.513 30 20 GBED C#CCN1CCN(C(=O)CN(CC)c2c(O)nc(=O)n(CCCC)c2N)CC1 746498950 AHJHJEWIWHSMGE-UHFFFAOYSA-N 390.488 -0.065 30 20 GBED N#Cc1ccc(CNC(=O)COC(=O)C2CCN(S(N)(=O)=O)CC2)cc1 746569918 KRXSCMZONGANEI-UHFFFAOYSA-N 380.426 -0.367 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)CC1 761031715 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-0.217 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 1022205955 YTUHHLKRQVKIJI-YJNKXOJESA-N 390.440 -0.469 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)nc1 1025764045 LNFFQZZSGKZFNP-BURFUSLBSA-N 379.420 -0.098 30 20 GBED Cc1cn(C)c(CC(=O)N2CCOC[C@H]2C#N)c1C(=O)N1CCOC[C@@H]1C#N 1116830423 VSYDTHDIEGPQJC-CABCVRRESA-N 385.424 -0.008 30 20 GBED CO[C@@H]1COC[C@@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 1118245727 IVXYBNRKOGMLQA-DDTOSNHZSA-N 381.410 -0.159 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1C[C@H]2CCC[C@]2(N)C1 1118828346 XSJKXNMIZQKZKA-LPMFXHHGSA-N 383.456 -0.275 30 20 GBED Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2NCC(=O)NCC#N)c1 1130630594 PNSZEFDYLDWUFW-CLAZTRKBSA-N 398.467 -0.633 30 20 GBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Cc1cccc(OCC#N)c1 1319538241 ALEYVBBTDYVNHY-CQSZACIVSA-N 379.438 -0.107 30 20 GBED C[C@@H](NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1ncnn1C 1324529976 RPOOZQZUBTZAQV-VXGBXAGGSA-N 383.416 -0.609 30 20 GBED CN(C)CCC1CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1324578637 SZGLULRJBRDADQ-MSUUIHNZSA-N 391.472 -0.181 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C 1327247721 KRFCHDOREZSVCY-ZIAGYGMSSA-N 384.477 -0.029 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC1CCN([C@@H]2CCC[C@@H]2O)CC1 1329484975 WMWJBMRMEJFGIG-CABCVRRESA-N 387.502 -0.803 30 20 GBED CO[C@@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)C(F)(F)F 1342184258 MNISJRZTGNLRJX-JTQLQIEISA-N 376.339 -0.052 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1CCCCS1(=O)=O 1356279204 VOUJWGOEVUWQRQ-CYBMUJFWSA-N 378.458 -0.189 30 20 GBED CC(C)(C)OC(=O)[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CCO1 1545315833 WURPBOIUZQNZFS-GFCCVEGCSA-N 378.385 -0.220 30 20 GBED C[C@H](C#N)C(=O)N1CCC([C@@H](C)NC(=O)CC(=O)NCc2cnn[nH]2)CC1 1575175566 BNKRKUCOFXYEDE-VXGBXAGGSA-N 375.433 -0.286 30 20 GBED C[C@@]12CN(CC(=O)NCC#N)C[C@@H]1CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 1580391641 DKOWIJWFNRMMEH-PXAZEXFGSA-N 383.416 -0.772 30 20 GBED Cc1nsc(N2C[C@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1C#N 1581682181 LQOCLIJMZIUVLD-NEPJUHHUSA-N 385.413 -0.189 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@H]2OC)nc1 1588370103 NFLJISOOXOMFGJ-ZIAGYGMSSA-N 391.395 -0.333 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)NCc1cc(-c2nn[nH]n2)ccc1F 1588502538 SZNXUVDEMXETES-DYVFJYSZSA-N 378.408 -0.100 30 20 GBED C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1CNCC(=O)NCC#N 1590268042 TZMHTXVFBMZJOQ-YPMHNXCESA-N 385.432 -0.478 30 20 GBED C#CCOCCC(=O)N1CCC[C@](CO)(Nc2cnc(-c3nn[nH]n3)cn2)C1 1602726432 FVQWHTJEXLCDJW-KRWDZBQOSA-N 386.416 -0.538 30 20 GBED C[C@@H](C#N)C(=O)N1CC[C@H](N2CCN(c3nccnc3-c3nn[nH]n3)CC2)C1 1602982123 OHLSDGCCFWYVHL-STQMWFEESA-N 382.432 -0.461 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CNS(=O)(=O)CC)[C@@H]2C1 1757231911 KAIVIEYTQZPJQQ-TUVASFSCSA-N 385.486 -0.424 30 20 GBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778165818 FJWFZNNCAMMYMB-FQEVSTJZSA-N 382.420 -0.197 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779093671 ADOQAEKDRBNYHD-IEZWGBDMSA-N 381.473 -0.321 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1783113579 DAOZKNYSSPZTRT-UGSOOPFHSA-N 381.429 -0.429 30 20 GBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1795417988 VEMVVSYWVUTPNK-DDFAGTSDSA-N 377.319 -0.015 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2 1797709958 PFMDWNWGTQWUQA-JAAXMTQOSA-N 379.457 -0.715 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)cn1)C2 1800776008 NRXAECSUSTTZTE-KSPBDQMDSA-N 375.356 -0.559 30 20 GBED Cn1nncc1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812875050 QOBUKHADIZANMD-SUMWQHHRSA-N 382.380 -0.382 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)C1 1831013588 RWXAZPUOJHQLJD-IBGZPJMESA-N 393.440 -0.139 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)CC)CCO2 1831193388 RQVQOOXSWAJJNW-KXBFYZLASA-N 379.457 -0.229 30 20 GBED CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1831270024 MUKBPHKJTMOXIB-OAQYLSRUSA-N 399.447 -0.369 30 20 GBED CNc1nsnc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835352394 XRPTVJLGYUPZKH-INIZCTEOSA-N 394.457 -0.046 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN(C)C)CCO2)C1 1835385869 XNFFEWSZDPLMNJ-JXFKEZNVSA-N 397.516 -0.032 30 20 GBED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(C)=O)CCO2 1839862074 RORVUMADLSBJLI-IBGZPJMESA-N 379.457 -0.228 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)C1 1840040339 VPMSJZPVUHBTSL-QMTMVMCOSA-N 376.409 -0.423 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1840841791 VVDDMBONNWUQOB-KRWDZBQOSA-N 382.486 -0.127 30 20 GBED N=C1NCCN1CC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844300093 LOCFCBCBHWAPHI-CTJICSLTSA-N 392.460 -0.441 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](COC)NC(C)=O)C1 1844385376 QRSUQCPKWUEQJK-GJZGRUSLSA-N 381.473 -0.086 30 20 GBED C=C(C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2)C(F)(F)F 1846014365 FFXQVTXMXSMMJK-UHFFFAOYSA-N 397.317 -0.252 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](COC)NC(C)=O 1847262429 SPUGARSSTKHHPP-FCLICNRPSA-N 392.456 -0.802 30 20 GBED C#CCN1CCN(C(=O)CN2CCN([C@@H](C)C(=O)N3CCCC3)CC2)CC1 130447530 CNPPROVAYSRCQF-SFHVURJKSA-N 375.517 -0.608 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1 264196008 RULRMNXLYYRLSA-UHFFFAOYSA-N 396.447 -0.044 30 20 GBED C=C(C)CN1CCC(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 264499660 PXJFDHBBGKCYND-UHFFFAOYSA-N 388.472 -0.020 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 271987242 IDAPXDKYRDWOHR-UHFFFAOYSA-N 382.442 -0.270 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCC(C)(C)N1CCOCC1)c1cc[nH]n1 279148934 ZGMVSMKRGWYABO-RCCKNPSSSA-N 381.433 -0.080 30 20 GBED CC/N=C(/O)N1CC[C@H](N/C(O)=N/CCS(=O)(=O)N2CCSCC2)C1 329976668 FMGFAETXEZDUOG-LBPRGKRZSA-N 393.535 -0.123 30 20 GBED C[C@@H](C(=O)N/C(O)=N/C(C)(C)C)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 330403750 WLEORVFXJZCPAS-LBPRGKRZSA-N 395.460 -0.503 30 20 GBED CS(=O)(=O)NCC[C@H]1CCCCN1/C(O)=N/CC(=O)N1CCOCC1 330676456 KIDWLSCHPOOXES-CYBMUJFWSA-N 376.479 -0.447 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](n3cccn3)C2)CC1 349485733 BBQOBPANNUEHFZ-CYBMUJFWSA-N 387.487 -0.175 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCCS(=O)(=O)N[C@H]2CCOC2)nc1 349564004 JENCAWYFWKLBHJ-ZDUSSCGKSA-N 388.471 0.183 30 20 GBED N#CCc1cccc(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)c1 415847474 BYFHGOLDDXDANZ-UHFFFAOYSA-N 391.453 -0.863 30 20 GBED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2C[C@H](O)[C@@H](O)C2)CC1 444697409 YAQXXBKZWYAYHR-KBPBESRZSA-N 387.396 -0.508 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(C(=O)NCCOC)c2)C1=O 515177127 NHYGHWWHDQQMLN-UHFFFAOYSA-N 388.380 -0.022 30 20 GBED CC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1 570865482 BZOLMKBRGIZGRO-GFCCVEGCSA-N 386.455 -0.612 30 20 GBED C=CCOC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)O 577507779 VHCPNJAARDDAKX-ZDUSSCGKSA-N 392.455 -0.129 30 20 GBED CC(=O)NCCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 577912638 DOYMLEWHHQFAIP-INIZCTEOSA-N 385.424 -0.582 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N(C)C[C@H]3COCCO3)CC2)c1C#N 595206174 RQWLMYVOQMLXQS-ZDUSSCGKSA-N 393.469 -0.154 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@]4(N)C3)CC2)c1C#N 598731825 MNGGBEINDMNHHG-LIRRHRJNSA-N 385.472 -0.411 30 20 GBED C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NCC#N 731234153 XSLNFTVJQKUSDH-ZANVPECISA-N 389.817 -0.449 30 20 GBED C[C@H](CC(=O)NCCC(=O)NC(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 758297610 FFPYGLPQALCBKC-SECBINFHSA-N 381.414 -0.795 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1c1ncon1 767177147 MNDSXCBLXZPWKM-LLVKDONJSA-N 377.382 -0.292 30 20 GBED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCn1ncnn1 771571160 KQRBSMZFIXAQMC-CYBMUJFWSA-N 391.457 -0.057 30 20 GBED N#CCc1ccc(C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 778138621 VZRZETGDCZBOBD-CYBMUJFWSA-N 379.394 -0.078 30 20 GBED CC1(C)CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCN1CCO 781676524 JLHRDHMIPRPFFB-UHFFFAOYSA-N 380.470 -0.360 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2c(C)nn(C)c2-n2ccnc2C)CC1 793414395 SHCQTBCESBZKNG-UHFFFAOYSA-N 383.456 -0.270 30 20 GBED Cn1nncc1C(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 803217940 ILUBJOLXBQRZAU-UHFFFAOYSA-N 377.382 -0.330 30 20 GBED N#CCc1ccc(OC[C@H](O)CNCCS(=O)(=O)N2CCOCC2)cc1 818990057 XUUKRVSIBMOBDZ-MRXNPFEDSA-N 383.470 -0.256 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)[C@H](O)C2)cc1 848529109 SUJPVOYWTFKNED-XJKSGUPXSA-N 397.478 -0.165 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CNC(=O)C2CC(=O)NC(=O)C2)C1 994289891 WSEKRQZCFNOKJY-NGFQHRJXSA-N 377.441 -0.159 30 20 GBED C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCNC(=O)C1 1109038272 OMBCFMHWNJQFQN-WCVJEAGWSA-N 378.473 -0.353 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCNC(=O)C1 1110441057 AWHNTABNRZWLCX-DGAVXFQQSA-N 377.445 -0.754 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nc2ncc(C)cn2n1 1110699846 KKVPNDAUGWQBGM-YJNKXOJESA-N 381.440 -0.094 30 20 GBED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1117144853 LNSRXGFBHHKQRD-UONOGXRCSA-N 399.455 -0.488 30 20 GBED N#CCN1CCC(NC(=O)C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)CC1 1117281194 KZHWBQRSKABWHF-ZWKOTPCHSA-N 391.516 -0.025 30 20 GBED CN1CCC(O)(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 1117676044 OTJCZBRJZJUSKP-UHFFFAOYSA-N 383.412 -0.350 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Cc2ccccc2NS(C)(=O)=O)CC1 1118096581 RBPROMCTZQSPGW-UHFFFAOYSA-N 392.481 -0.506 30 20 GBED C#CCCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)n1 1130220833 NKAUXEUPOCMJMP-FXUDXRNXSA-N 390.488 -0.375 30 20 GBED NC(=O)NC1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1252547956 OHJUQTYQYRYNJL-UHFFFAOYSA-N 379.442 -0.226 30 20 GBED N#CC1(NC(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)CCCCC1 1253553717 CVVKNUPZBMAIIY-CABCVRRESA-N 384.502 -0.895 30 20 GBED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)nc1 1321335339 VEJOSFBRCBYJLU-GFCCVEGCSA-N 386.455 -0.733 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nnc2n1CCOC2 1324530882 REVDHBPDLATLTQ-UHFFFAOYSA-N 390.425 -0.447 30 20 GBED N#CCN1CCC(NC(=O)C(=O)NCCNS(=O)(=O)c2cccs2)CC1 1325565186 KPQRSPGGFUCAFY-UHFFFAOYSA-N 399.498 -0.753 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 1327186830 LHQPOCVMZYRJGA-OFQRWUPVSA-N 383.456 -0.452 30 20 GBED CS(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccc(OCC#N)cc2)CC1 1328563449 AQYSNKQHINSMMF-UHFFFAOYSA-N 380.426 -0.691 30 20 GBED CCS(=O)(=O)N1CCC(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1329348461 DRCGGKGQDGVOGP-INIZCTEOSA-N 386.474 -0.959 30 20 GBED CCc1nncn1CCNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1346616601 BMMDCWRLYYUPLP-CYBMUJFWSA-N 397.443 -0.644 30 20 GBED CN(C)C(=O)N1CCN(C(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1 1349318554 KFLRCAHDOZKZFT-UHFFFAOYSA-N 385.424 -0.026 30 20 GBED C=C[C@](C)(O)CC(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 1588505883 YZLCHQKLFFZTFN-SFHVURJKSA-N 386.460 -0.173 30 20 GBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@H]1O 1588611046 PRKSHPQLFQSBIR-IACUBPJLSA-N 388.432 -0.388 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CCC(=O)O)cc1 1599830367 RCTHCMGTONAESO-JTQLQIEISA-N 375.428 -0.028 30 20 GBED O=C(N[C@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2)c1ccc(-c2nn[nH]n2)[nH]1 1606689263 RAMMCVZIUIMNHG-GFCCVEGCSA-N 381.396 -0.292 30 20 GBED CN1C(=O)c2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)c3C#N)cc2C1=O 1609282674 LWBGPFLXQTUSCB-UHFFFAOYSA-N 377.324 -0.201 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCNC(=O)C1)C2 1782015597 SORRXGFVPMHAPE-PJIJBLCYSA-N 391.424 -0.886 30 20 GBED C=C(C(=O)N1CC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1)C(F)(F)F 1783203118 SZSIRDIYBUAMRR-ABAIWWIYSA-N 392.378 -0.472 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CC13CCCN1CCC3)CCO2 1783565221 IANVPMOGPMLUGZ-HXUWFJFHSA-N 389.452 -0.077 30 20 GBED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)[C@@H](O)N4CCOCC4)CCO3)C2)CCC1 1785366356 DKJHAVAGWIZHNH-BEFAXECRSA-N 392.456 -0.839 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@H]4C=CS[C@H]43)[C@H]2C1 1790630346 MPWOCHATGNXCEM-GJJVEMEUSA-N 376.434 -0.071 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1792889871 XYVGCYIEZNDGNK-XFMPKHEZSA-N 381.429 -0.905 30 20 GBED C[C@H](NC(=O)c1cnccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1798553753 LSZPAWMRUSYJFY-FQUUOJAGSA-N 399.407 -0.679 30 20 GBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN(CCO)CCO)C3)c1 1799421813 JMUVJXULTNRTFE-MUJYYYPQSA-N 389.456 -0.575 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cc(F)ccn1)C2 1800773764 SEKKTHKFLZEQJJ-DBWKPXFBSA-N 389.383 -0.169 30 20 GBED NC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)c1ccccc1 1800776062 TWAPVQCOJMYRRM-RCJHGTSTSA-N 385.420 -0.594 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCC)NC(C)=O 1802033663 UQQNGVJPRZLNID-SOVHRIKKSA-N 393.484 -0.081 30 20 GBED N#CC1(C(=O)N2CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2c2cccnc2)CC1 1807042076 CJNFAJJRCFNAMV-HLLBOEOZSA-N 398.467 -0.016 30 20 GBED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(O)O)CC2 1814972520 JMLSZEPUOMMBGJ-SECBINFHSA-N 381.458 -0.352 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3C)C2)C1 1831390899 ACLFSDLLPADSRQ-HNAYVOBHSA-N 390.440 -0.472 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1831392958 ITPLVPYYEAENFS-JTDSTZFVSA-N 377.441 -0.991 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(=O)C3)C2)C1 1831402577 LADUGODWWYKPTI-LIRRHRJNSA-N 378.425 -0.540 30 20 GBED C=CCC(=O)N1CCC(N2CCC(NC(=O)CC[C@H](N)C(N)=O)CC2)CC1 1834736008 FDBQOPNTZVXJTF-INIZCTEOSA-N 379.505 -0.273 30 20 GBED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1834778160 TYLPRDOYRNJNPC-LJTORXTESA-N 386.470 -0.120 30 20 GBED C[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565064 KVDXLAYBMWBYFB-ZUJLDJOKSA-N 379.413 -0.464 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)C=C)CCO2 1837703102 VRNZDAFXBZSIQF-UZLBHIALSA-N 391.468 -0.063 30 20 GBED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)n(C)n1 1840158128 HFGNMGULIUJWKG-SJCJKPOMSA-N 398.485 -0.183 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1840842176 RYCHKTWNQRGKSD-SFHVURJKSA-N 390.396 -0.629 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1840842379 DGIGCHSDVDACRI-GOSISDBHSA-N 390.444 -0.811 30 20 GBED N#Cc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@H](O)N2CCOCC2)C3)cc1 1841099519 JJKCGKNUYLNGLR-IBGZPJMESA-N 398.463 -0.045 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(NS(C)(=O)=O)CC2)c1 10666624 GHKKFDKKZBQTHA-UHFFFAOYSA-N 399.494 -0.248 30 20 GBED CCN(CCC#N)C(=O)Cn1c(Br)nc2c(=O)n(C)c(=O)n(C)c21 53530068 YQBVTGQYBOHGEX-UHFFFAOYSA-N 397.233 -0.042 30 20 GBED COc1ccc(CCN/C(N)=N/CCNS(=O)(=O)NC(C)C)cc1OC 277548726 YTESFAHUVHISGB-UHFFFAOYSA-N 387.506 -0.017 30 20 GBED CC(C)N1C(=O)C[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1=O 290419620 QKWADWGXKOADEQ-ZDUSSCGKSA-N 378.410 -0.511 30 20 GBED COC[C@@]1(C(=O)OC)CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 295472398 DEPVLNYXOHERFG-QGZVFWFLSA-N 395.437 -0.125 30 20 GBED COCCOC[C@H](O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 296584235 RJHWSVIJOYNWEL-MRXNPFEDSA-N 383.470 -0.112 30 20 GBED C[C@H](/N=C(/O)Cn1nc2ccccn2c1=O)C(=O)N1CCS(=O)(=O)CC1 329279372 MLFVYKGEBOTXJC-NSHDSACASA-N 381.414 -0.902 30 20 GBED CN1CCO[C@@H]2CN(C(O)=Nc3cnn(CC(=O)N4CCOCC4)c3)C[C@@H]21 329794666 WDGSKCKISYPKDE-LSDHHAIUSA-N 378.433 -0.698 30 20 GBED CNC(=O)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 482854392 HOHHWWDHSNRIGW-ZDUSSCGKSA-N 393.469 -0.885 30 20 GBED Cn1[nH]cnc1=NS(=O)(=O)c1ccc(S(=O)(=O)N2CC(C)(C#N)C2)cc1 568109040 XBBJRYPCLQBPNF-UHFFFAOYSA-N 396.454 -0.428 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(Cc3nc[nH]n3)CC2)n1 593705279 WGCKEHONPKRYOQ-UHFFFAOYSA-N 385.432 -0.089 30 20 GBED CC(C)(C)n1nnc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n1 594421247 AWZXYTBUSBTHCC-UHFFFAOYSA-N 377.430 -0.106 30 20 GBED N#CCC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncc(C#N)s2)C1 595964036 DWKDLWPGQVEJPK-UHFFFAOYSA-N 389.484 0.322 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 602249868 WXKLCACJZJDVOY-LLVKDONJSA-N 375.351 -0.676 30 20 GBED N#Cc1ccc(F)c(CS(=O)(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 611231782 PMYAENNBIVTBPG-UHFFFAOYSA-N 394.428 -0.050 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CC(=O)N(C2CC2)C1 752724594 JZHMUVCDXBHKOP-NSHDSACASA-N 376.438 -0.005 30 20 GBED N#CC1(CS(=O)(=O)NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1 753945766 ULHQTGAHKSFKCZ-ZDUSSCGKSA-N 375.410 -0.144 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCCS(N)(=O)=O 767675601 KEVGHQVYPOGSSO-SNVBAGLBSA-N 375.428 -0.553 30 20 GBED C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)NCCOC)c[nH]1 783618173 NMPXXLGMJQJUCH-UHFFFAOYSA-N 379.460 -0.730 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)NCC(=O)N2CCNCC2)ccc1F 818561665 JVTZBNSLXQADAI-UHFFFAOYSA-N 384.433 -0.548 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2Oc3ccccc3O[C@H]2C)CC1 831556844 VXWPLIQQUTZOHA-XJKSGUPXSA-N 379.438 -0.173 30 20 GBED C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1ncc(C(N)=O)s1 848965742 WNBDJPPQFKNEET-MRVPVSSYSA-N 380.473 -0.685 30 20 GBED CN(CC(N)=O)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918445530 DOXVMBGQEZFHDK-RGEXLXHISA-N 395.441 -0.618 30 20 GBED C=CCn1cc(C(=O)N2CCO[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 944695620 UXLJROGSPCXFJS-UIWYYIFQSA-N 387.440 -0.155 30 20 GBED C#CCCN1CCN(S(=O)(=O)C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 961065773 ZYGBDMXGRJMVJZ-WKULXVSPSA-N 393.509 -0.409 30 20 GBED C=CCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C2CS(=O)(=O)C2)nn1 996768325 HEKAOICLDBPIQD-DYEKYZERSA-N 379.442 -0.630 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(=O)N(C)C)[C@@H]3C2)nn1 1022729903 XDBBVYVCUSKMTH-KNCOVGOOSA-N 386.456 -0.139 30 20 GBED C#CCNC(=O)CC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1055896591 JZCMWCODGRNKSO-HOERASLDSA-N 389.452 -0.981 30 20 GBED CC#CCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1c1cn(C)cn1 1130672337 NMVJEZZKBBPEIA-XOYOTBSWSA-N 387.484 -0.037 30 20 GBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1227057609 XBBOLCLGTDRRCW-OXHZDVMGSA-N 392.378 -0.011 30 20 GBED CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NS(=O)(=O)N1CCO[C@H](C#N)C1)C2 1257433158 ZOTUEDGUHOXORB-SOUVJXGZSA-N 385.490 -0.871 30 20 GBED CN(CCCNC(=O)C(=O)NCc1ccc(OCC#N)cc1)S(C)(=O)=O 1261668616 LCEWLGPDPRYOQD-UHFFFAOYSA-N 382.442 -0.397 30 20 GBED CN1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@](O)(CC#N)C3)cn2)CC1 1326063149 FTVGJUZNTZASAT-IBGZPJMESA-N 386.456 -0.673 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 1327182291 SXFWGZRZEVHSHJ-UHFFFAOYSA-N 381.479 -0.064 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nn1 1329223602 UIWVVWNYUNVGTC-OAHLLOKOSA-N 389.460 -0.315 30 20 GBED COC[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C[C@@H](C)O1 1335898168 BJKLXCGZBJUKCY-RHSMWYFYSA-N 387.440 -0.136 30 20 GBED N#C[C@@H](C(=O)Cc1ccc(-n2cnnc2)cc1)C(=O)N1CCS(=O)(=O)CC1 1341935099 DAAMIWPZKCFKBV-HNNXBMFYSA-N 387.421 -0.224 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC(NS(=O)(=O)CC)CC2)nn1 1345710294 GSEQRMCGNPPBGK-UHFFFAOYSA-N 384.462 -0.989 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ncn(CC(=O)OCC)n2)n1 1349015104 CCRLQFMNMNCKEW-UHFFFAOYSA-N 387.400 -0.342 30 20 GBED COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCOC1 1555557095 NWGPTXVRMYITQV-SUMWQHHRSA-N 378.433 -0.253 30 20 GBED N#C[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 1571117378 KRFUQFLOMLKYFX-NSHDSACASA-N 375.414 -0.093 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc([C@@H]2CCC(=O)N2)n1CCc1n[nH]c(C)n1 1574954238 JBJVNHDDPFMCNO-ZDUSSCGKSA-N 395.431 -0.344 30 20 GBED C=CCNC(=O)CN(C)[C@@H](C)CNC(=O)C1CCN(Cc2cnn[nH]2)CC1 1575103734 HZAVSTJDNKCCJT-AWEZNQCLSA-N 377.493 -0.245 30 20 GBED Cc1cc(=NC[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)c(C#N)c[nH]1 1581014089 CYCRHQHELQPPGY-ZDUSSCGKSA-N 381.400 -0.263 30 20 GBED N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cn3)C[C@@H]2O)[nH]1 1581868042 FSRAAAQXSXJJIC-OCCSQVGLSA-N 379.384 -0.169 30 20 GBED N#Cc1ncc(N2CCN(c3ccc(C(N)=O)cc3)CC2)nc1-c1nn[nH]n1 1581882372 VTKOZZQTBQPISW-UHFFFAOYSA-N 376.384 -0.046 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2nccnc2-c2nn[nH]n2)C1 1588351534 YFBBORZORQDKSA-KBPBESRZSA-N 381.444 -0.209 30 20 GBED C#CCN1CCC(C(=O)N(C)CCN(C)c2nccnc2-c2nn[nH]n2)CC1 1588352189 VGCJEETVGCXPJO-UHFFFAOYSA-N 383.460 -0.104 30 20 GBED N#C[C@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 1592681632 XEBLYSCGLJZDPR-CMPLNLGQSA-N 375.414 -0.047 30 20 GBED N#Cc1c[nH]c(C(=O)NCC2[C@@H]3CN(c4ccc(-c5nn[nH]n5)nn4)C[C@@H]23)c1 1606357095 GEJADRCIBLJIOQ-RYUDHWBXSA-N 376.384 -0.031 30 20 GBED Cn1c(=O)[nH]c(N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)c(C#N)c1=O 1651723274 RFFCXYPIAYNZRJ-OAHLLOKOSA-N 383.408 -0.173 30 20 GBED C#CCNC(=O)CN1CCC2(CC1)CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@@H]31)C2 1754960325 GEKSZOQKNGAQSF-XYJFISCASA-N 375.469 -0.288 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CNS(=O)(=O)NC)[C@@H]1CC 1757460759 CPWWSATYFIBLID-RQJABVFESA-N 388.490 -0.873 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781111739 PGTZTJZZWHPOFP-QAPCUYQASA-N 396.557 -0.085 30 20 GBED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(CCO)CCO)C2 1782200444 ZTLAEVYJIPJCST-VQIMIIECSA-N 383.489 -0.637 30 20 GBED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CNC2=O)C3)C1 1792437382 NZLZVKSYIQKKQJ-YWVIFJGQSA-N 376.413 -0.906 30 20 GBED CN(C)C(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1792632561 RQORXNVXFDDUEJ-AGGWBTHJSA-N 377.445 -0.459 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(C)C(=O)CC1)C2 1793340558 KQZNJONSCSTLFP-ZJOBFFGXSA-N 390.440 -0.778 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csc(N)n1)C2 1793342792 RYDFLRNEQWBMNE-FMSGJZPZSA-N 378.454 -0.033 30 20 GBED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)CN)c1 1796343234 GLEHGCPTRDFYDS-RPCVNMKUSA-N 385.468 -0.197 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 1796955276 XDFJPVIZJNOAII-APIJFGDWSA-N 398.423 -0.634 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1799393432 GBMLVDNRVLDPOV-AYDFFVQHSA-N 394.476 -0.783 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCn2cncn2)c1 1801262523 GEPMPZDVOQRUGI-XOIINTDNSA-N 383.412 -0.229 30 20 GBED Cn1cnc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n1 1805329283 NOYJRDSCRMXWSX-CZUORRHYSA-N 382.380 -0.382 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cnc(O)[nH]2)[C@@H]1c1cccnc1 1810953005 DVTTWMAAEDBCBZ-LRDDRELGSA-N 383.364 -0.082 30 20 GBED COCCOCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1814312815 WOXJVTXVRSJUJJ-SNVBAGLBSA-N 381.410 -0.194 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnco3)CCO2)C1 1831927586 NLFSRVABPXCORA-KBXCAEBGSA-N 377.397 -0.217 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CN)CC2)CC1 1834665017 FSBZZKVZGRUJBP-ARJAWSKDSA-N 377.489 -0.625 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1834760423 MKHAZQAKRZFAPD-LPHOPBHVSA-N 387.440 -0.679 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CN)CCO2)C1 1835527268 CBIIFVMTGRQKQG-ZRGWGRIASA-N 383.489 -0.389 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1836859665 WKCHOJDVLNVNBW-YOEHRIQHSA-N 380.489 -0.691 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C)C2)C1 1837394736 IWWGLFPXOAKZQO-HNAYVOBHSA-N 383.489 -0.423 30 20 GBED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1839889943 XTMNYTYRIQULHP-CJNGLKHVSA-N 389.399 -0.211 30 20 GBED C#CCNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 18475278 OQCDPHSLSPDYRN-UHFFFAOYSA-N 383.382 -0.256 30 20 GBED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C#N)o2)c1=O 255194251 RHCNZIIYEPQJHS-UHFFFAOYSA-N 384.417 -0.197 30 20 GBED C#CCOc1cccc(NC(=O)C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)c1 275698694 SJTPVSDISYIVSS-AWEZNQCLSA-N 380.422 -0.355 30 20 GBED O=C(CC/N=C(/O)N1CCC[C@](O)(C(=O)N2CCCC2)C1)N1CCOCC1 329010488 DKYLFGPJOQVIBN-GOSISDBHSA-N 382.461 -0.401 30 20 GBED CC(=O)N1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N)[C@@H](C)C1 349512852 SNHKDNDVCVDRKY-STQMWFEESA-N 394.519 -0.567 30 20 GBED N#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@@H](C1)C2(F)F 349522615 KMBVJZSEPXVKEH-GHMZBOCLSA-N 382.414 -0.418 30 20 GBED CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1 409570844 RGGWGLCBRFNGPB-CYBMUJFWSA-N 388.471 -0.504 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC(C)(C)CCN2CCN(C)CC2)C1=O 474805304 AUCBFQSISRPILQ-UHFFFAOYSA-N 379.461 -0.505 30 20 GBED COCCCS(=O)(=O)N1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 509240065 NCDVXNLTUWDYDD-CYBMUJFWSA-N 382.508 -0.551 30 20 GBED COc1ncccc1CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 514610221 RFPDMUMZTCWPBR-UHFFFAOYSA-N 397.439 -0.031 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@H]3COCCO3)C2=O)cc1 560240829 IQIZTBVDEATJOE-HOTGVXAUSA-N 386.408 -0.693 30 20 GBED COCCOCCCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 571466440 ARTNKMSGQOPLOI-UHFFFAOYSA-N 392.460 -0.582 30 20 GBED C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 576886101 IAXQMQCTQVBRIM-LLVKDONJSA-N 398.466 -0.470 30 20 GBED CN1C[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)CC1=O 579006562 ONRHXESBTITVHL-LLVKDONJSA-N 386.455 -0.660 30 20 GBED C=CCOC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NCC)C(=O)O 581368059 ILEJEOKLBWWJRO-NSHDSACASA-N 392.455 -0.081 30 20 GBED CC(C)N(C[C@H](O)CO)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 584182975 QOWHBMRTHZQYSJ-LBPRGKRZSA-N 391.471 -0.759 30 20 GBED C[C@H](N)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)CCO1 595990374 QHRFBBZGSPNWBD-JSGCOSHPSA-N 377.470 -0.157 30 20 GBED C=C[C@H](CO)NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 620588682 VBGCIAVQWXOZCG-OAHLLOKOSA-N 381.454 -0.184 30 20 GBED C#CCNS(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 761022617 AXBYHNDNFPACEL-UHFFFAOYSA-N 396.494 -0.583 30 20 GBED CNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918245954 RFRJWJQSNVPIFI-MOSHPQCFSA-N 395.441 -0.700 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 940383144 GRQKTMAPXIMEIJ-FPCVCCKLSA-N 378.473 -0.685 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(OC)n(C)n2)C[C@H]1OC 946819087 XQYHOSPPJZWIOV-REBRKWNGSA-N 378.429 -0.025 30 20 GBED C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1002826041 JHMRDXLPEBYWCR-XLAORIBOSA-N 375.469 -0.290 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(c3nccn4nnnc34)C[C@@H]21 1043811555 IIVHDRBMZDAKHL-CBBWQLFWSA-N 385.428 -0.084 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2cn(CC(N)=O)nn2)n1 1055044655 PJERFDQFVDEELX-DYEKYZERSA-N 381.400 -0.727 30 20 GBED CN(C)S(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nc1 1093052514 DKQGVCMTCVZVTG-YUELXQCFSA-N 378.458 -0.425 30 20 GBED N#CC1(c2ccccn2)CCN(C(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1 1261163545 SASJABYGORZQEX-UONOGXRCSA-N 385.424 -0.386 30 20 GBED C=C(Br)CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 1322731337 AWOFUBURNYSXRG-UHFFFAOYSA-N 382.280 -0.153 30 20 GBED N#CCC1CCN(C(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1 1322840624 GIKGFWQKQDZTTA-KRWDZBQOSA-N 377.489 -0.339 30 20 GBED CN1C(=O)NC2(CCN(C(=O)C(=O)NCCc3ccc(C#N)cc3)CC2)C1=O 1328207240 AVRFERQNRQSTGB-UHFFFAOYSA-N 383.408 -0.240 30 20 GBED Cn1ncc2c(N3CCN(C(=O)Cn4cnc(C#N)cc4=O)CC3)ncnc21 1328387865 OFYOWKNDVCQWJG-UHFFFAOYSA-N 379.384 -0.860 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](C)NC(=O)c2ccccc2)CC1 1332383056 DBFPUNRYGJHYCU-HNNXBMFYSA-N 392.481 -0.193 30 20 GBED COCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1344796828 AIOXAQCLNGBIQB-UHFFFAOYSA-N 394.453 -0.456 30 20 GBED C=CCCOCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[nH]n3)nn2)C1 1573337366 WOAZNGNMMBULEM-KRWDZBQOSA-N 388.432 -0.303 30 20 GBED C[C@@H](C#N)C(=O)N(CCO)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573560332 BELPSVOXTPNROK-NWDGAFQWSA-N 386.416 -0.220 30 20 GBED C[C@@H](C#N)C(=O)N1CCC[C@H](N(CCO)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573567742 RTDOORWLBBHFDX-AAEUAGOBSA-N 386.416 -0.220 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)C1CC1 1574954512 LZGPAZGIJMHENF-CQSZACIVSA-N 397.443 -0.487 30 20 GBED N#CCSCC(=O)N1C[C@@H]2C(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C1 1592680266 JCELJAGUHLZRCE-VXGBXAGGSA-N 386.441 -0.114 30 20 GBED N#CCNC(=O)CNC(=O)N1CCC[C@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 1606350384 UVEUUHMBPUFRKG-LBPRGKRZSA-N 384.404 -0.513 30 20 GBED N#Cc1nc(N)n(CC(=O)Nc2ccc(N3CCOCC3)cc2)c1-c1nn[nH]n1 1609501009 SJMZKYOFAPYUSR-UHFFFAOYSA-N 394.399 -0.008 30 20 GBED COC(=O)CNC(=O)[C@@H]1CCCN1CCS(=O)(=O)c1ccc(C#N)cn1 1646280167 MGCDJHCDOCVORV-ZDUSSCGKSA-N 380.426 -0.519 30 20 GBED N#Cc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1Br 1656443082 WHLWBEBKPDAIQU-GHMZBOCLSA-N 395.256 -0.243 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779088260 RXMNGLCFLNTGDH-AEFFLSMTSA-N 399.513 -0.614 30 20 GBED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)COCCO)CCO2 1779140241 WDWWMUDRQRIKQM-JHBOHYQCSA-N 379.413 -0.463 30 20 GBED O=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)CN1 1783163615 XBBYJPGWGVKRKT-NPMKPGHBSA-N 388.424 -0.336 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1784954690 XEILDIJDNINMEM-AJNGGQMLSA-N 392.456 -0.270 30 20 GBED CC[C@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1787405607 QWYBUEYYRPTVBO-VGWMRTNUSA-N 376.457 -0.174 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@H](N)C(N)=O)C2 1792566402 YOGMCFWRWOUOFF-ADZLIZSBSA-N 391.472 -0.924 30 20 GBED COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793260237 KOVRWJKQCGHQGH-KYHPRHEASA-N 377.441 -0.860 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CNC1=O)C2 1800219063 VDKZECOXONFNBW-FQUUOJAGSA-N 393.444 -0.023 30 20 GBED CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831213195 LTDWHJRGXAUITC-AQKVLALTSA-N 390.436 -0.025 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1831421567 KWSDSRJNRQAYPR-KDOFPFPSSA-N 393.444 -0.524 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnsn4)CCO3)C2)CC1 1833526176 GMLCWKKHTHUZGI-MRXNPFEDSA-N 377.426 -0.088 30 20 GBED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1835128495 XEVDGJVDIAKDQH-OXJNMPFZSA-N 391.468 -0.085 30 20 GBED Cc1cnn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1 1835342393 SSWMQSCRYCMGSU-LJQANCHMSA-N 387.440 -0.048 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835704947 ABIDDXMYSFTKFT-UYAOXDASSA-N 386.452 -0.049 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3=O)CCO2 1837138415 FCKPJWMYQMQDID-HXUWFJFHSA-N 397.387 -0.475 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1837695270 WURQONVICHYTGT-RDTXWAMCSA-N 378.429 -0.563 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnn3)CCO2)C1 1837868504 CWZGIIVJFUUMBF-DNVCBOLYSA-N 388.424 -0.415 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)OC)CCO2 1840322524 IZYPBKLORXAZMC-SFHVURJKSA-N 381.429 -0.398 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCNC3=O)C1 1843997936 UOSBHKSOEANXPK-AWEZNQCLSA-N 399.451 -0.128 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)/C=C\C(=O)NC2CC2)C1 1844176157 MAPHLRAFZRKCES-VRHVFUOLSA-N 386.452 -0.117 30 20 GBED C=CCCO[C@@H](C)C(=O)N1CCO[C@@H](CN(CC(=O)O)S(C)(=O)=O)C1 262912459 JXQJTHYUNQRGOR-QWHCGFSZSA-N 378.447 -0.459 30 20 GBED C#CCOc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 265976424 XQQQCJMRBMDKNC-IAGOWNOFSA-N 378.450 -0.074 30 20 GBED C#CCN(CC#C)CC(=O)N(CCOC)c1c(O)nc(=O)n(CCCC)c1N 267867241 ZEYCSTKEVGOYCX-UHFFFAOYSA-N 389.456 -0.121 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1CCS(=O)(=O)CC1 268438281 ZIOLORCTJUVZRQ-ZDUSSCGKSA-N 378.458 -0.884 30 20 GBED COC(=O)[C@@H]1COCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 268939019 VDHQLOOXFMSXRY-RISCZKNCSA-N 381.410 -0.375 30 20 GBED C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 297603428 ADMIWJVTCRUZAD-HOCLYGCPSA-N 387.440 -0.400 30 20 GBED CCN1CCN([C@H](C)C/N=C(/O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 329307436 ZDOLAIRAFSUYFS-CYBMUJFWSA-N 391.476 -0.584 30 20 GBED CN(C)C(=O)CN1CCC(/N=C(/O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 329564816 NZBZFIMKGPEMIM-OAHLLOKOSA-N 391.476 -0.418 30 20 GBED CS(=O)(=O)C1(C/N=C(/O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 330035483 XJTKBRJMLTUDDG-GFCCVEGCSA-N 379.504 -0.023 30 20 GBED C[C@@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 349576192 QSGCPIPXJXPAQW-RYUDHWBXSA-N 380.517 -0.274 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN2C(=O)OC[C@@H]2C1 366301265 WTVCSKWQVPPBEQ-AAEUAGOBSA-N 378.410 -0.112 30 20 GBED CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1=O 377895149 ARRFGEDTKRZWQS-GFCCVEGCSA-N 395.379 -0.270 30 20 GBED C[C@@H](C(=O)N1CCCC1)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409500477 KADUYASPVWDZIM-GJZGRUSLSA-N 385.490 -0.916 30 20 GBED CN1CCN(Cc2ccc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)cc2)CC1 409546276 CPLHPFSMLGBEJZ-SFHVURJKSA-N 393.513 -0.007 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCCC[C@@H]3[C@H](C)N)CC2)c1C#N 423697707 NJDYESJSFCVVQP-XJKSGUPXSA-N 387.488 -0.023 30 20 GBED C[C@@H](C#N)CNS(=O)(=O)c1ccccc1S(=O)(=O)N=c1nc[nH]n1C 526951524 VXEPAAGIUGBUNW-JTQLQIEISA-N 384.443 -0.524 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCCNC(=O)[C@H]2Cc2ccccc2)CCO1 549903165 CXHQNSKRGQGXIN-HZPDHXFCSA-N 378.454 -0.111 30 20 GBED COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)OC 551467882 SOLWAWLINMCXAF-CYBMUJFWSA-N 389.343 0.126 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)s1 594638805 WNHUOIKOZIXETN-UHFFFAOYSA-N 375.457 -0.068 30 20 GBED CCc1nc(C#N)cc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)n1 596073571 NDVMNSAQNKRNGN-UHFFFAOYSA-N 379.490 -0.475 30 20 GBED N#Cc1cccnc1-n1cc(NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)cn1 597512999 UESMDSDDWQUAKZ-LBPRGKRZSA-N 375.414 -0.007 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@@H]3COCCN3)C2=O)cc1 599943136 ITFZFIJQLKIZOI-GDBMZVCRSA-N 385.424 -0.726 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@]1(C#N)CCSC1 610782317 QOJPNXHMWMXTQK-ZUZCIYMTSA-N 382.467 -0.032 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)n1 611359335 FUJHNWBQSBVFMB-GFCCVEGCSA-N 396.473 -0.012 30 20 GBED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cnn(C=C)c2)c1=O 772309968 BZVUGSQLNKXXFY-ZDUSSCGKSA-N 397.460 -0.506 30 20 GBED N#C[C@H]1CSCCN1C(=O)COCCOCC(=O)N1CCSC[C@@H]1C#N 775498311 OZXZPBGPHMKWSH-KBPBESRZSA-N 398.510 -0.045 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 784926262 SFDKAEQBMUQYKM-HOTGVXAUSA-N 399.451 -0.058 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1cn(CC(=O)O)nn1 820148627 QIMGUPNMJBEQDN-JTQLQIEISA-N 393.381 -0.355 30 20 GBED N#Cc1ncn(CC(=O)N2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 822846160 PVRAVXHAZSPWOC-UHFFFAOYSA-N 378.400 -0.326 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)CC1 831555925 DLHGKHAQLSCMKX-INIZCTEOSA-N 394.428 -0.070 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccccc2C(=O)O)CC1 833365429 JETYCZRLJAFXBG-UHFFFAOYSA-N 379.438 -0.169 30 20 GBED C=C(Br)CNC(=O)C(=O)NC[C@@H](N1CCNCC1)C(F)(F)F 842273742 TWCSOYUWMWRPIP-SECBINFHSA-N 387.200 -0.037 30 20 GBED C#C[C@@H](CC)NS(=O)(=O)CCCS(=O)(=O)N=c1ccnc2n(C)[nH]cc1-2 848962923 CLIVWNOPBDQKGP-LBPRGKRZSA-N 399.498 -0.195 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 850712562 NBEQOSLZKNCAIQ-OAHLLOKOSA-N 385.486 -0.489 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)C[C@H]1OC 946819594 FOQBCXIUJFYRBQ-RUZUBIRVSA-N 392.412 -0.967 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)C[C@@H]1O 970712112 UGQCUGXPDXBMSG-DWZYQQQCSA-N 377.397 -0.724 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3cnnc3O)C[C@@H]2C1 985986274 IEUGKESYSXAXMQ-BARDWOONSA-N 375.429 -0.118 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 1024407069 DPXUVJUCQPTSEV-MIGQKNRLSA-N 388.424 -0.537 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(CCN(C)C)c2)C[C@H]1O 1025711224 KQKLAUCQEGAAFL-VQHPVUNQSA-N 391.472 -0.663 30 20 GBED C#CCOCCC(=O)N1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1073583466 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-0.045 30 20 GBED S=C(NCCCN1CCOCC1)NN=Cc1cccc(-c2nn[nH]n2)n1 1593541178 GGZGQWRZKIEOQN-UHFFFAOYSA-N 375.462 -0.218 30 20 GBED C#CC[C@H](NC(=O)c1cccc(C(=O)N[C@H](CC#C)C(=O)O)c1N)C(=O)OC 1602692964 AEDUAOKLIOWGJP-KGLIPLIRSA-N 385.376 -0.230 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O 1602727490 OJMXPBUHMBWHDV-XZJROXQQSA-N 388.403 -0.295 30 20 GBED CC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1763350592 LQXSNZWEEAPHPL-HUBLWGQQSA-N 386.478 -0.222 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1783565388 LJYRTFAMGHVSHN-AWEZNQCLSA-N 385.214 -0.168 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1783566242 RYTVUUYKQVODKV-UZLBHIALSA-N 386.404 -0.492 30 20 GBED C[C@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567574 SCEROTDSVHGODC-IFXJQAMLSA-N 387.392 -0.233 30 20 GBED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2 1783887353 YHGAZRIFQLOXIU-XUJVJEKNSA-N 378.516 -0.185 30 20 GBED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1783891091 YUGLNWHUKTXTMO-HWPZZCPQSA-N 392.441 -0.821 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21 1784506297 LSFCXUIZFJKROO-VGWMRTNUSA-N 377.445 -0.151 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3nnc(C)o3)[C@H]2C1 1787027544 MHFQVCJDICKUOU-OEAJRASXSA-N 390.440 -0.061 30 20 GBED O=C(Cn1ccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1794868032 ANNQYHZAFFBBKH-KTZVYDJMSA-N 388.472 -0.056 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ccccc2n1 1796779604 PCGUDIBXGIOJRF-DBWKPXFBSA-N 394.387 -0.079 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1797584528 RJJNENJINOGSQV-YXPYIKCWSA-N 379.413 -0.946 30 20 GBED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)n1ccccc1=O 1797937326 KAYBVRXZPXJSHV-FLTUCWPJSA-N 387.392 -0.913 30 20 GBED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cnc(O)[nH]1 1798180315 HKGGDACNOJPEDP-AHHGSBDBSA-N 390.444 -0.210 30 20 GBED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C2 1800108507 QQQJFMODKNGGCQ-XGUBFFRZSA-N 394.472 -0.273 30 20 GBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825671699 MTRUOSVPWBCQLB-WCBMZHEXSA-N 378.410 -0.332 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836205754 GTRBEMXZVLFDFN-DOTOQJQBSA-N 397.501 -0.311 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838062772 HIPBXABELRYTPC-ACJLOTCBSA-N 392.412 -0.776 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3F)C2)C1 1840043342 SLSRBTXKVAXLIW-IBGZPJMESA-N 390.367 -0.016 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1840841792 VVDDMBONNWUQOB-QGZVFWFLSA-N 382.486 -0.127 30 20 GBED C=CCn1c(=O)/c(=C/c2ccnn2CC)s/c1=C(/C#N)C(=O)NCCOC 270111661 ZJHPIBBNIHKISB-OWMWEOKGSA-N 387.465 -0.422 30 20 GBED CS(=O)(=O)NCCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 277056068 BDFFELKMKOEPFI-CQSZACIVSA-N 379.442 -0.492 30 20 GBED C#CCNc1nc(N2CCC[C@H](C(N)=O)C2)nc(N2CCC[C@@H](C(N)=O)C2)n1 287001347 OYQUFIGXRHZPHT-BETUJISGSA-N 386.460 -0.680 30 20 GBED COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)c2)nn1 291267162 GVIFGBSPLXCKRM-CYBMUJFWSA-N 384.352 -0.257 30 20 GBED C[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 349483156 VOEIDPVHUGXCQR-NSHDSACASA-N 386.455 -0.660 30 20 GBED CN(CC(C)(C)O)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(C#N)cn1 349500815 MCENPZDFPAOOOC-UHFFFAOYSA-N 390.487 0.118 30 20 GBED CC[C@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N 349526906 UJLUFCNJRBUXPO-LBPRGKRZSA-N 394.519 -0.520 30 20 GBED C=C[C@](C)(O)CC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 408214296 MKMWDCOGUONFLR-FMKPAKJESA-N 375.491 -0.188 30 20 GBED C=CCN1CC[C@@H](N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)C1=O 410423007 WYDHGJKPIYSVMB-GFCCVEGCSA-N 382.442 -0.528 30 20 GBED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2C[C@@H](O)[C@H](O)C2)CC1 444697414 YAQXXBKZWYAYHR-ZIAGYGMSSA-N 387.396 -0.508 30 20 GBED CN(CC(=O)NCCCc1nc(O)n[nH]1)S(=O)(=O)c1ccc(C#N)cc1 480016565 OIZUCPBAPPJHQD-UHFFFAOYSA-N 378.414 -0.249 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccc2Cn2cncn2)C1=O 507823085 VGMWLMCXNDPYDL-UHFFFAOYSA-N 382.380 -0.081 30 20 GBED Cn1c(NCCCCN2CCN(c3ncccn3)CC2)c(C#N)c(=O)n(C)c1=O 511411744 CAPVJZGXXJSYRG-UHFFFAOYSA-N 398.471 -0.240 30 20 GBED C=CCN(C(=O)CNC(=O)CNC(C)=O)[C@H](C)c1cccc(-n2cnnn2)c1 520928391 WCYRECTWJKUXBJ-CYBMUJFWSA-N 385.428 -0.010 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)CC1 561414919 QPQKBUHXRJJLMN-UHFFFAOYSA-N 393.532 -0.188 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCO2)CC1 741211308 GYYLNAUWORZRBD-LJQANCHMSA-N 384.480 -0.219 30 20 GBED C#CCN1CCN(C(=O)CN2CCC(Oc3ccnc(C(N)=O)c3)CC2)CC1 772329575 OYKSRZAEQIXARP-UHFFFAOYSA-N 385.468 -0.199 30 20 GBED CNC(=O)[C@@H]1CN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCO1 782090237 VYHQZSFATBUDNR-AAEUAGOBSA-N 394.453 -0.523 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C)c1 783350309 JBEOKGAGGNVKDT-UHFFFAOYSA-N 396.404 -0.235 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCOCC3(CCOCC3)C2)c1=O 784042392 FFWRZNKMVDQGIU-UHFFFAOYSA-N 392.456 -0.370 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1=O 790400437 MHYQRISCMCTCMX-DOXZYTNZSA-N 392.456 -0.231 30 20 GBED COC(=O)c1cc(S(=O)(=O)NCC(=O)NCC#N)c(Br)o1 796219193 XPCNYLPWBZQLIV-UHFFFAOYSA-N 380.176 -0.253 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 799285638 AEZMUYQHNUESOA-AWEZNQCLSA-N 379.438 -0.044 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1)[C@H]1CCCO1 808841537 STIDKQCSOFUSFV-QWHCGFSZSA-N 399.494 -0.252 30 20 GBED N#Cc1cnn(C(=O)[C@H]2CCC[C@@H]2C(=O)n2ncc(-c3nn[nH]n3)c2N)c1N 826387538 AGTFLTGDTVWVFJ-IUCAKERBSA-N 381.360 -0.307 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN([C@@H]2CCNC2)CC1 831688207 LRNYCDYGIZFHAX-CQSZACIVSA-N 391.497 -0.379 30 20 GBED C#CC1(O)CN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 934445944 VNIQIGHGCVRDHE-AWEZNQCLSA-N 393.465 -0.286 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 968842038 WFRJLFHODATPFT-FQLMCAECSA-N 386.412 -0.593 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1O 1023939784 ORTLVHKMIUZSOH-CRNXPOROSA-N 390.440 -0.052 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ncc3cccnc32)C1 1024908921 XSSHVZPQVFBAEG-FPCVCCKLSA-N 385.424 -0.290 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3ncn(C)c3n2)C1 1025679510 XSLCVUUECIBMPU-MPESAESLSA-N 385.424 -0.139 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(CCN(C(=O)C(N)=O)CC2)[C@H]2COC[C@H]21 1026106945 XKZGMHQIWQLGSZ-QXSJWSMHSA-N 391.468 -0.081 30 20 GBED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CCn2cc[nH]c(=O)c2=O)cn1 1092856863 UWJQHQJIUUVOSM-RDBSUJKOSA-N 381.396 -0.486 30 20 GBED C=CCN1CC[C@@H](N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2CC(=O)NC2=O)C1=O 1096187189 DRQADVMRFIVIAR-ZOBORPQBSA-N 375.429 -0.953 30 20 GBED COCC#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@@H]1n1ccnn1 1130012282 YOSTWSFLSFTLGY-KONPQCLYSA-N 383.456 -0.193 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2CC)C[C@H]1c1cncn1C 1131033018 CUQABBBNSMSORK-KONPQCLYSA-N 387.484 -0.131 30 20 GBED C#CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 1258331502 ALBNMJVUUCJYLI-MRXNPFEDSA-N 395.423 -0.775 30 20 GBED COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1 1320846090 HFWFAMARTZQVEQ-CYBMUJFWSA-N 381.410 -0.204 30 20 GBED C[C@]1(C2CCN(C(=O)C(=O)NCC#Cc3ccccc3)CC2)NC(=O)NC1=O 1321971638 DATFATHUQUSQMM-HXUWFJFHSA-N 382.420 -0.009 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCC(c2nc(C(=O)OCC)n[nH]2)CC1 1323261234 SKZRRTSRCOYXAR-UHFFFAOYSA-N 377.401 -0.547 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](CN)C1 1329449466 ZRCOCMDLJWAELW-GHMZBOCLSA-N 385.408 -0.311 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1CCN(S(C)(=O)=O)CC1 1330207921 KBYXHTABZDOWJO-GJZGRUSLSA-N 387.502 -0.128 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(C(=O)CCOC)CC2)C1=O 1346980811 ILESQEJKBCPKCY-OAHLLOKOSA-N 394.472 -0.625 30 20 GBED COC(=O)CCN1CC[C@H](OC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1=O 1350050064 IZXAZTVMGXGGKY-VVLLMFOMSA-N 379.369 -0.390 30 20 GBED C#Cc1ccc(C(=O)N2CC[C@H]3CN(CC(=O)NCc4cnn[nH]4)C[C@H]32)nc1 1575022085 MCZQEGQONXGECN-WMLDXEAASA-N 379.424 -0.356 30 20 GBED C=C1CC(C)(C(=O)N2CCC(O)(CNCC(=O)NCc3cnn[nH]3)CC2)C1 1575059151 IYPYSQVFCFBSEP-UHFFFAOYSA-N 376.461 -0.280 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@@H]21 1588351418 SYTOJVZPQPVSKK-CQJJVWNLSA-N 379.428 -0.695 30 20 GBED C#CCOCCC(=O)N1CC2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 1588360354 ORHTWZYRGSSBRM-UHFFFAOYSA-N 383.412 -0.091 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588503946 IGZPJYZAFAVJEM-MEDUHNTESA-N 377.405 -0.929 30 20 GBED C=CCNC(=O)[C@H](C)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1588658619 CQRPMDJKIKEMDN-AAEUAGOBSA-N 388.432 -0.684 30 20 GBED N#CCNC(=O)CN1C[C@@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C1 1592677509 FTRHHGNKTJSXIC-SMDDNHRTSA-N 383.416 -0.629 30 20 GBED Cn1ncc(S(=O)(=O)N(CC#N)CC(=O)O)c1I 1601028974 PKMGOEZQUOBYPE-UHFFFAOYSA-N 384.155 -0.376 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@H]2O)c1 1602745384 CVKUCPKKKHQVLX-ZIAGYGMSSA-N 377.368 -0.988 30 20 GBED C=CC[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1783116874 QQVYRZDDOYNMRE-AUUYWEPGSA-N 375.425 -0.047 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC)NC(N)=O)C[C@@H]21 1784482030 BPWSISNICCZSRA-CWVYHPPDSA-N 394.472 -0.549 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)N(C)C)C[C@@H]21 1784493801 HABGZIIHKXGISK-UGUYLWEFSA-N 396.488 -0.172 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncnn3C)C[C@@H]21 1784501174 GNGUVXLVKFTSCY-QPSCCSFWSA-N 377.445 -0.001 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(C)=O)[C@H]2C1 1790865205 RLYNMHZIDNRTBP-ZAZJUGBXSA-N 379.457 -0.471 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccnc2[nH]1 1797461023 NIWBNVAJOJHJOH-FVCICTRLSA-N 382.376 -0.146 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801984766 OVWAVHMVUSWQIH-XJFOESAGSA-N 394.428 -0.666 30 20 GBED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(N)=O)c1 1802161903 PPYWFWLIJYRSDP-HGKCTWBKSA-N 399.451 -0.251 30 20 GBED Cc1noc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)n1 1830056040 KNTGITRVMMUZBF-GOSISDBHSA-N 391.428 -0.073 30 20 GBED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1831174454 ADAYYOQTHOQIRR-FOIQADDNSA-N 391.468 -0.229 30 20 GBED C#CC(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833786814 NHHDSRPICKAUHJ-UHFFFAOYSA-N 388.428 -0.004 30 20 GBED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C=CCN3)CC2)CC1 1838066019 YRELMHDMYQQGLP-INIZCTEOSA-N 375.425 -0.399 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1840164367 GVHXWEZQELKKDD-KDOFPFPSSA-N 399.513 -0.226 30 20 GBED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)n1cnnn1 1840473229 KPXHIEUZMDQRSL-DYVFJYSZSA-N 391.432 -0.760 30 20 GBED O=C(CNCP(=O)(O)O)N1CC2(CCCN2C(=O)C#Cc2ccccc2)C1 1842730210 TUBCVWNGZFSUTN-UHFFFAOYSA-N 391.364 -0.034 30 20 GBED COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)COc1ccc(C#N)cc1OC 273911716 ASVVLKIRXUKMDF-LBPRGKRZSA-N 382.394 -0.256 30 20 GBED Cc1noc(CN2CCN(/C(O)=N/[C@H]3CCCN(S(C)(=O)=O)C3)CC2)n1 329463320 UBJUTJKZABOUBT-ZDUSSCGKSA-N 386.478 -0.166 30 20 GBED CS(=O)(=O)N1CCN(/C(O)=N/Cc2cccc(N3CCOCC3)n2)CC1 330104564 HQLAMEXXCUIJQE-UHFFFAOYSA-N 383.474 -0.091 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)CCCCC1 349532617 ORJAJNOAGLUPKI-ZDUSSCGKSA-N 379.504 -0.081 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)Nc1cnn(CC(=O)N2CCN(C)CC2)c1 410162149 PCNWHUIQSVHZPG-CYBMUJFWSA-N 383.478 -0.595 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 437042479 NQEDYYFKTDAWPO-BBRMVZONSA-N 388.424 -0.062 30 20 GBED COC(=O)[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCO1 481439574 RQBOSMAALMYVQX-SMDDNHRTSA-N 381.410 -0.375 30 20 GBED C=CCOC[C@H](NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C(=O)OC 481756396 NAEACOBYDNNUOX-LBPRGKRZSA-N 376.369 -0.894 30 20 GBED COCCCN(C)CCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 509722664 APZCFTQVEZUEMY-UHFFFAOYSA-N 388.472 -0.314 30 20 GBED Cn1c(NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)c(C#N)c(=O)n(C)c1=O 516397491 CFERIGBPAFMXJG-LBPRGKRZSA-N 399.407 -0.308 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)Cn3nc4ccccn4c3=O)CC2)c1C#N 530522593 CBOKULJINSWRRF-UHFFFAOYSA-N 380.412 -0.242 30 20 GBED C=CCN(CC=C)C(=O)CN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 533357503 KIGPDKUYPLXOOC-UHFFFAOYSA-N 396.469 -0.115 30 20 GBED CCN1CCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)[C@@H](C)C1=O 563156379 ZOMOEEXAPVPYFJ-AWEZNQCLSA-N 384.440 -0.319 30 20 GBED C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 570985551 JBYDTRDXHQJMMP-SMDDNHRTSA-N 389.455 -0.693 30 20 GBED CN(C)CCN(CC(=O)N(C)C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 598185175 HEXRHMAXGPWOCH-UHFFFAOYSA-N 395.485 -0.685 30 20 GBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N2CCC(C(=O)OCC)CC2)CC1 728573451 WOGBUXIVRVLMNI-INIZCTEOSA-N 392.500 -0.456 30 20 GBED CC(=NNCCS(C)(=O)=O)c1ccc(S(=O)(=O)N2CCNCC2)cc1 733204134 INXIFKDQSYNNMZ-UHFFFAOYSA-N 388.515 -0.361 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2n[nH]c(CC(=O)OC)n2)c1 735812228 IYBMTZNLYMAFPK-UHFFFAOYSA-N 377.382 -0.316 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)NC(=O)CCN3C)CC1 746216370 YRQSQPILGJTQRL-UHFFFAOYSA-N 383.452 -0.028 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 760561116 CVNWFTVAXNPMKO-UHFFFAOYSA-N 391.409 -0.478 30 20 GBED CN(C)C(=O)NCCN(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 775812782 NBHXDQYKNJPZSC-UHFFFAOYSA-N 381.458 -0.155 30 20 GBED CCOC(=O)NCC(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 785661550 TYAOUONEEOMHKD-UHFFFAOYSA-N 379.373 -0.207 30 20 GBED CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 806780453 ALEQQCMCCNLJHS-VCHHOEMESA-N 399.473 -0.374 30 20 GBED CCCCn1c(=O)nc(O)c2c1nc(Cn1cnc(-c3nn[nH]n3)c1C#N)n2C 825296274 BHXWKPMZCNEHQV-UHFFFAOYSA-N 395.387 -0.068 30 20 GBED C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)O 827756217 YVLBCJBBLWZLEB-ZJUUUORDSA-N 383.382 -0.642 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cccc(NC(C)=O)c2)CC1 831579335 ADXGYHFKGJWQHZ-UHFFFAOYSA-N 378.454 -0.201 30 20 GBED N#Cc1ccc(NCCNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)nc1 916520019 ACEIVOOEMLWJIW-UHFFFAOYSA-N 385.428 -0.502 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)O1 960955690 VOMLHLKGFBSSPF-MWDXBVQZSA-N 389.452 -0.526 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 967253868 JGJXMAMQLBSHGN-WCVJEAGWSA-N 376.457 -0.946 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2cc(OC)nc(COC)n2)C[C@@H]1O 1044560272 VATZVZUAJUQBOY-MQYQWHSLSA-N 378.429 -0.112 30 20 GBED CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1090951426 IUAJYSNROCKRNY-APIJFGDWSA-N 388.428 -0.519 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc(-n2cnnn2)cn1 1109549049 GUMHCWWTLFSREW-UGFHNGPFSA-N 381.400 -0.968 30 20 GBED C=CCO[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)n(C)c(=O)n1C 1110185670 IDNNVQKALGLXCK-VDERGJSUSA-N 376.457 -0.103 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc2c(c1)C(=O)NC2=O 1111292800 MLBMGHIOKIPJPZ-WQVCFCJDSA-N 380.404 -0.345 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1cccc(NS(C)(=O)=O)c1)[C@@H]1CCCO1 1117528309 HQDKXMMPGJDZFB-GJZGRUSLSA-N 379.438 -0.029 30 20 GBED C=CCn1c(CN2CCC[C@H](O)C2)nnc1N1CCN(S(=O)(=O)CC)CC1 1121633726 LSOPSAKLAPGFDV-HNNXBMFYSA-N 398.533 -0.108 30 20 GBED CN(CCOCCNC(=O)OC(C)(C)C)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1261803294 DCORMHZYCFNFSO-GOSISDBHSA-N 398.460 -0.137 30 20 GBED Cc1cc(NC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)n(CCC#N)n1 1320726228 RFIZCRHFSIISCK-AWEZNQCLSA-N 378.433 -0.805 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NC[C@H]1CSCCS1 1322761708 YNHPDSZAHNKYOL-ZFEMDRMUSA-N 384.483 -0.406 30 20 GBED CO[C@H](C)c1noc(CN2CCCN(C(=O)NCC(=O)NCC#N)CC2)n1 1323413521 JYHFTYQAHKTRGL-GFCCVEGCSA-N 379.421 -0.366 30 20 GBED CC(C)(C)S(=O)(=O)N1CCC(NC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1324109817 NWRMSIOPEBITIZ-CYBMUJFWSA-N 386.474 -0.554 30 20 GBED CN(CCNS(C)(=O)=O)CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1 1324184090 NASUCPVTWMGDJX-GFCCVEGCSA-N 377.426 -0.007 30 20 GBED C[C@H](N)[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)CCO1 1325719252 WPGZXAXYESLCMN-SUMWQHHRSA-N 389.431 -0.079 30 20 GBED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1332355002 AMBNMVHPWHPEMI-PMUMKWKESA-N 380.445 -0.747 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)CCN1Cc1ccccc1 1345219996 GDCQHMUGRSYROW-CVEARBPZSA-N 390.465 -0.474 30 20 GBED CCS(=O)(=O)N1CCC([C@@H](C)N(C)c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1472798722 VCLUCVWJDKZXHR-LLVKDONJSA-N 383.474 -0.168 30 20 GBED CN1CCN([C@@H]2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)CC1 1549997605 TYXDQSWBWYVVLI-CQSZACIVSA-N 391.497 -0.427 30 20 GBED N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCOC2)C1 1555986463 LNHKRXVPWQEIQC-IRXDYDNUSA-N 378.408 -0.006 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2cccc(F)c2-c2nn[nH]n2)CC1 1602725665 LRZSIPYFTRHXMK-UHFFFAOYSA-N 379.421 -0.409 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O 1609494159 YGGUQDSYISJZOF-FZKQIMNGSA-N 394.395 -0.250 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)CN(CCO)CCO)C3)C2)C1 1783251512 HZUSJQARMMRHPU-LJQANCHMSA-N 381.473 -0.931 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(Cl)nc3)C[C@@H]21 1791072888 HAAZBWOPOWVMLI-DRZSPHRISA-N 392.799 -0.189 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@@H]21 1791259593 BRHBNSRJOPPXLN-PEDHHIEDSA-N 392.543 -0.035 30 20 GBED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(O)O)c1 1792798397 XAOCQSYYOBHZKQ-AGGWBTHJSA-N 375.381 -0.919 30 20 GBED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2 1793351330 PLJYOGVELOJYNY-FVCICTRLSA-N 378.429 -0.565 30 20 GBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1802019425 DLPMYSTYZADLIF-HGKCTWBKSA-N 384.436 -0.186 30 20 GBED N#CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN(CCO)CCO)CC2 1814503057 VNPFCUDMHFUBOH-GFCCVEGCSA-N 395.485 -0.355 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)C[C@H](NC)C(=O)O)C3)C2)C1 1829666357 CJSUHIGRLODHEF-KXBFYZLASA-N 395.456 -0.528 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839371297 NVMKBIRUBYAFIE-SFHVURJKSA-N 391.380 -0.213 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1840844334 PINKUTNUIWOPLY-LJQANCHMSA-N 388.424 -0.887 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1845251576 AVTKICKLSZSTSX-VXGBXAGGSA-N 379.417 -0.411 30 20 GBED O=C1NC(=O)[C@H](CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#Cc2ccccc2)N1 1848127644 LRYVUSXELXLKAF-JYJNAYRXSA-N 380.404 -0.162 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cccnc3=O)CC2)cc1 32766864 OFQFWGJWWRKDGK-UHFFFAOYSA-N 387.421 -0.352 30 20 GBED C#CCN1CCN(C(=O)c2cncc(C(=O)N3CCN(CC#C)CC3)c2)CC1 121773379 RJCQBWSFJJGRAG-UHFFFAOYSA-N 379.464 -0.136 30 20 GBED O=C([C@@H]1CCCO1)N1CCN(/C(=N\C2CC2)NC[C@H]2CCS(=O)(=O)C2)CC1 262592274 VGKNWFCIWSBINB-ZBFHGGJFSA-N 398.529 -0.148 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](O)c2cc(OC)cc(OC)c2)C1=O 265580975 YGMFLMHWYDDCEA-CQSZACIVSA-N 391.380 -0.170 30 20 GBED C=CCS(=O)(=O)CCNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 273034547 ZDEUSDIJFAJAQB-UHFFFAOYSA-N 381.414 -0.646 30 20 GBED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN(c3ccc(C#N)cn3)CC1)CC2 286466169 SUABBJZIJLQIFT-HNNXBMFYSA-N 394.439 -0.367 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCC3(N4CCOCC4)CC3)CC2)c1 289670631 CDGLGYLTQOQOSV-UHFFFAOYSA-N 398.467 -0.417 30 20 GBED CC1(C#N)CN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@@H]2C#N)C1 349474713 KGDTVXUJJFTRPU-LBPRGKRZSA-N 392.528 -0.177 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)C[C@@H]1C 349514148 ZFSBQFKHHIVBHP-KGLIPLIRSA-N 380.536 -0.094 30 20 GBED CC(=O)N[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)C1 349516435 CZVPWPABMQLGLT-ZDUSSCGKSA-N 394.519 -0.520 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N[C@H](C)CO)ccc1C#N 349564752 HWSCMJGVJDJWEW-SNVBAGLBSA-N 376.460 -0.306 30 20 GBED C[C@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 349576193 QSGCPIPXJXPAQW-VXGBXAGGSA-N 380.517 -0.274 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 375582127 DWBUIHHJDYVCLH-HNNXBMFYSA-N 387.506 -0.493 30 20 GBED N#Cc1cn(C2CN(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)C2)c(=O)nc1O 527688621 RHWWPQZWMKLFSR-CYBMUJFWSA-N 396.411 -0.154 30 20 GBED Cn1cc(C#N)c(=O)n(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)c1=O 534243557 CZEFTECAEKPZMO-UHFFFAOYSA-N 376.394 -0.861 30 20 GBED COC[C@@H](O)CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 581894673 BLVROUISCBMJLL-NSHDSACASA-N 377.444 -0.836 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CCSCC2)s1 594637129 BSFBNWITRFQEFF-UHFFFAOYSA-N 396.541 0.525 30 20 GBED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 595980464 IQACTBHASHMYBS-SJORKVTESA-N 381.436 -0.157 30 20 GBED CN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)N1CCO[C@H](C#N)C1 599514975 MAODBFLWCQRHNQ-CYBMUJFWSA-N 396.425 -0.203 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)N(CCO)CCN2CCOCC2)cc1 611136864 XNEUTGVTGFGPFT-UHFFFAOYSA-N 395.481 -0.374 30 20 GBED C[C@]1(C#N)CCCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 612268529 RMISEQVOZIGLSV-GOSISDBHSA-N 388.428 -0.167 30 20 GBED C#CCN1CCC[C@H]1C(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC)c1 730285070 HKIUQDWEDNKPHC-HNNXBMFYSA-N 378.454 -0.253 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCCS(C)(=O)=O)CC2)o1 731256484 ZRLOLMRDDUSTAU-UHFFFAOYSA-N 398.441 -0.129 30 20 GBED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1C(=O)CNC1=O 733269806 ARCYCCLPYBHHGW-UHFFFAOYSA-N 393.425 -0.827 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CCOC 753788999 RQODGHSJHAKQPF-UHFFFAOYSA-N 389.481 -0.198 30 20 GBED N#CCc1ccccc1CC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 787998447 LMAJGMPNCRWPNC-DLBZAZTESA-N 377.466 -0.403 30 20 GBED C#CCn1ccc(CN(CCNS(=O)(=O)c2cnn(C)c2)CCOC)n1 789321228 UXEAMRWQQLHANV-UHFFFAOYSA-N 380.474 -0.323 30 20 GBED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2c(C)cnn2C)c1=O 795197689 QBYNYNKCPYJCHR-ZDUSSCGKSA-N 399.476 -0.761 30 20 GBED C#CCNC(=O)CN(CCOC)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 819701329 CXKJRNORDCMXQZ-UHFFFAOYSA-N 378.414 -0.747 30 20 GBED N#Cc1nc(N)n(CC(=O)N2CCN(Cc3ccsc3)CC2)c1-c1nn[nH]n1 826387630 HJXZKIVAVHMOER-UHFFFAOYSA-N 398.456 -0.077 30 20 GBED COC(=O)[C@@H]1CN(C)CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 840501739 UCGJQGKDXJRRLD-GFCCVEGCSA-N 394.453 -0.712 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3nc(O)oc3c2)CC1 841481135 HMHIWUWYBLMCDF-UHFFFAOYSA-N 378.410 -0.411 30 20 GBED COc1cccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1O 844588689 FVTPGAPODWDIBZ-UHFFFAOYSA-N 382.398 -0.499 30 20 GBED CN(C)S(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N 1092847244 CSSQZQNBATXFLN-DYEKYZERSA-N 378.458 -0.144 30 20 GBED C=CCNC(=O)CN1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2=O)C1 1108555797 ZCYONRREXRYPAH-MPCCQONLSA-N 388.468 -0.887 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cccn2c(O)nnc12 1109972175 ZSABYFLRNYWBID-NEBZKDRISA-N 382.424 -0.092 30 20 GBED Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)C(=O)N2CC[C@](O)(CC#N)C2)cn1 1118250171 NZUOFRMKFQJLCQ-IIDMSEBBSA-N 375.429 -0.288 30 20 GBED O=C(CCCS(=O)(=O)N1CCCC1)NCCN/C(O)=C1\N=CC=CC1=O 1318695119 URZDDRBNKOYNPI-FOCLMDBBSA-N 384.458 -0.165 30 20 GBED CNC(=O)[C@H]1CN(C(=O)C(=O)NCCSCc2ccccc2C#N)CCO1 1321920469 CZELCQQHVCJYPU-OAHLLOKOSA-N 390.465 -0.119 30 20 GBED CN1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1=O 1324461038 INYYXUBQVIMISC-HUUCEWRRSA-N 383.408 -0.878 30 20 GBED N#Cc1cc(CN2CCOCC2)cn(CC(=O)NCC(=O)N2CCCC2)c1=O 1327183562 KEIRUZWBLXISID-UHFFFAOYSA-N 387.440 -0.709 30 20 GBED C[C@@H]1CCCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@H]1CCO 1328921130 JWNDETUEVIPOLP-JJLJGCLUSA-N 378.429 -0.362 30 20 GBED C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C(=O)N1c1cnn(C)c1 1336150727 PQQMPSKCMJHSLS-INWMFGNUSA-N 399.455 -0.771 30 20 GBED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 1337108460 GTKKUATVGXJEAP-GFCCVEGCSA-N 382.446 -0.416 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1 1340073868 PAOZUBJPBXYLEE-MRXNPFEDSA-N 387.440 -0.011 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)CCO1 1464523214 LCKYVXJSUHINMM-ZJUUUORDSA-N 394.379 -0.038 30 20 GBED CNC(=O)NC1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1557022036 XSZJIZQASWYZAR-UHFFFAOYSA-N 379.442 -0.355 30 20 GBED C#CCN1CCC(C(=O)N[C@@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1573282946 NVWZZSLDKNSCNK-LBPRGKRZSA-N 384.444 -0.226 30 20 GBED C#CCN(C(=O)COCC1CC1)C1CCN(CC(=O)NCc2cnn[nH]2)CC1 1574895451 VCPUMIASSNWJIV-UHFFFAOYSA-N 388.472 -0.226 30 20 GBED N#Cc1nccnc1NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1581885623 IBDDRPLAISGWKY-NSHDSACASA-N 380.372 -0.190 30 20 GBED C#C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 1588326504 NQLUMTCZOYHPTP-GFCCVEGCSA-N 389.441 -0.096 30 20 GBED C#CCN1CCC(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[nH]n3)nc2)CC1 1588351769 JETWHABXLCUNOO-HNNXBMFYSA-N 384.444 -0.504 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588435624 CCGRETNDIZIQNQ-SUNKGSAMSA-N 389.416 -0.617 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCc3nc(-c4nn[nH]n4)ccc32)C1=O 1588654390 HHNIZSAAGHBBPG-UHFFFAOYSA-N 396.367 -0.482 30 20 GBED C[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](CNCC(=O)NCC#N)C1 1591734650 LFRKTRLMPSRZFQ-YPMHNXCESA-N 385.432 -0.335 30 20 GBED CN(C)CCC[C@H]1CN(C(=O)C(=O)N2CCC(C#N)(C(=O)O)CC2)CCO1 1598216356 ARBUIQCSVSFTCI-AWEZNQCLSA-N 380.445 -0.227 30 20 GBED C#CCN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 1602716832 RWVQHAOCSDRFLV-OLZOCXBDSA-N 395.427 -0.791 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(C(=O)O)C[C@H]2c2ccccc2)CC1 1602726403 OYVYNJIFEHPCOT-YJBOKZPZSA-N 391.449 -0.143 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[nH]n2)C1 1602756755 XKHAXERFGQMTSN-QWHCGFSZSA-N 385.432 -0.178 30 20 GBED CCOC(=O)C1([S@](C)=O)CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1604368548 VKEXOOZQUJLFAR-MHZLTWQESA-N 390.429 -0.191 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)no3)C2)C1 1779672635 GMIZOZOYDIMTIA-JXCVUKRWSA-N 390.396 -0.318 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1783558127 OIFUOMALJJHBNF-KRWDZBQOSA-N 379.319 -0.109 30 20 GBED CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566552 WMNZEAJHCZWHNK-YVEFUNNKSA-N 382.369 -0.534 30 20 GBED Cn1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1Cl 1783566905 NGRLDMWRVQMCTF-INIZCTEOSA-N 380.788 -0.395 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1784505153 YTQRDGXYSVZBNU-UYLCUJDWSA-N 381.473 -0.720 30 20 GBED Cn1cccc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c3nc[nH]n3)C2)C1 1831424228 FJLURSZVSHKURD-DYVFJYSZSA-N 379.417 -0.534 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1831424440 JGTJFMAMIDAVFF-KSSFIOAISA-N 383.445 -0.878 30 20 GBED C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1831595561 IDQFKUZAVJTDHV-SCLBCKFNSA-N 380.445 -0.496 30 20 GBED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cn1 1834532296 LTKJLSUUHWQXFK-YVEFUNNKSA-N 396.469 -0.127 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1837403047 HCQMWWGOPKXRHG-KXBFYZLASA-N 397.472 -0.848 30 20 GBED C[C@@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837442144 QBNMPBWGNIQJNY-CQTDXNOFSA-N 395.504 -0.491 30 20 GBED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccn1 1840042521 ZCOQSWCDIKUOIM-IBGZPJMESA-N 387.392 -0.452 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1840104069 FHDBCDNRGMHXPY-SFHVURJKSA-N 378.429 -0.631 30 20 GBED CS(=O)(=O)c1cccc(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)c1 1841173135 NMQKZIPQZHTOFO-UHFFFAOYSA-N 390.417 -0.005 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1841608084 YWRJIJWIHRHELF-HNNXBMFYSA-N 399.513 -0.489 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 264176270 MVGAZHWPNSKFJH-HZPDHXFCSA-N 388.468 -0.555 30 20 GBED N#Cc1ccc(N2CCN(C(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)nc1 266242826 FQIBNPUQVOBSMB-KNCCTNLNSA-N 395.419 -0.236 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)c2cn(CC(=O)OC)nn2)C1=O 275000992 URPCIIGQOAZEES-SECBINFHSA-N 379.329 -0.968 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)NC)cc1 293233887 DKTIASLFOZUQDJ-NSHDSACASA-N 382.442 -0.318 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](O)C(C)(C)C1 349471253 ZPZAGEJMSAXGSV-GFCCVEGCSA-N 381.520 -0.027 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(c3ncccc3F)C2)C1=O 371900882 IQKFFVBURGGEFD-LLVKDONJSA-N 375.360 -0.108 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CCN 418837194 VXLFCLZJYCDDCZ-INMHGKMJSA-N 380.489 -0.070 30 20 GBED Cc1cccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1C#N 444028408 GWTHFJXHYODJJX-LSDHHAIUSA-N 399.494 -0.357 30 20 GBED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCOC[C@@H]2C#N)s1 464802898 VAEVPILBSLFRDE-NSHDSACASA-N 386.455 -0.587 30 20 GBED C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@H](CO)O1 470929820 GALFSEWXRIHKEB-IUODEOHRSA-N 384.396 -0.255 30 20 GBED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2c(C)cnn2C)c1=O 551920405 NXOGNCPTVDQIQP-UHFFFAOYSA-N 389.481 -0.373 30 20 GBED O=C(NCC#Cc1cccc(F)c1)C(=O)Nc1ccn(CCN2CCOCC2)n1 555292252 LRKXWKZWTZNDCQ-UHFFFAOYSA-N 399.426 0.461 30 20 GBED C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@H](C)S1(=O)=O 573500858 UZASKUZFVXNLQY-RYUDHWBXSA-N 385.467 -0.129 30 20 GBED CC(C)[C@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1 573933831 LHQVJDUWQIMCQO-GWCFXTLKSA-N 388.471 -0.335 30 20 GBED C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 578143240 GSZVYNVQAVNSMR-SMDDNHRTSA-N 389.455 -0.693 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CC(N)=O 608911877 UNGXDERLQJHGDJ-UHFFFAOYSA-N 398.444 -0.791 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 615049615 BFNSONBNPBMEDO-UHFFFAOYSA-N 399.451 -0.015 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 726200934 PMQOALDSUGMTNX-GFCCVEGCSA-N 396.469 -0.190 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1 728570664 JQJAHORELKXKDP-LJQANCHMSA-N 397.523 -0.004 30 20 GBED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 781460201 UIXMRIBBGZMNNL-DOMZBBRYSA-N 395.437 -0.360 30 20 GBED CNS(=O)(=O)c1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)ccc1F 821637553 KXURJHFVYWUNJL-UHFFFAOYSA-N 391.348 -0.239 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCN(CC(F)(F)F)C2)CC1 831574413 FZIKOXURCNJASS-LBPRGKRZSA-N 382.408 -0.518 30 20 GBED C=C[C@@H](O)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 831659239 WJLGXIKHORRIBZ-CYBMUJFWSA-N 392.455 -0.546 30 20 GBED N#Cc1c[nH]c(=O)n(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1=O 842617325 VBZVPXQQSYYMED-UHFFFAOYSA-N 387.371 -0.300 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](CO)C2)cc1 848510939 JGFVYOJOLBPHQG-CQSZACIVSA-N 397.478 -0.163 30 20 GBED C#C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC(=O)OC)cc1 848941463 PTELPPCXEOKIQW-LBPRGKRZSA-N 399.450 -0.326 30 20 GBED C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1O 1024232507 CTFQUCOMMWWXEQ-MUIFIZLQSA-N 376.457 -0.305 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CC2(C1)CS(=O)(=O)C2 1109447676 ZYRHZWNCBBFBAL-ILXRZTDVSA-N 381.498 -0.165 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)C3CCN(S(N)(=O)=O)CC3)CC2)nc1 1115968934 ZSJXKVLIGBAJGC-UHFFFAOYSA-N 392.485 -0.046 30 20 GBED N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCOCC2)CCO1 1303005065 WEXGUDOCMBAHTM-CABCVRRESA-N 389.460 -0.320 30 20 GBED CO[C@]1(CNC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CCOC1 1327440598 VOURONAZUCSHPD-UGSOOPFHSA-N 388.428 -0.693 30 20 GBED CC(C)N[C@H]1CCCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1328818457 WDVBOHHEQLAGPE-PVEMMZBWSA-N 377.445 -0.382 30 20 GBED C=CCN(C(=O)C(=O)N1CCC(CNS(C)(=O)=O)CC1)[C@H](C)COC 1329748566 GPMHBXAIUPZCNX-CYBMUJFWSA-N 375.491 -0.176 30 20 GBED C=CCNC(=O)Cn1nnnc1N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1334634907 DKAQSJBHJRTRFE-MNOVXSKESA-N 387.366 -0.178 30 20 GBED C#Cc1ccc(C(=O)N(C)C[C@H](O)CNC(=O)[C@@H](C)OCc2cnn[nH]2)cc1 1575021614 IERQSAHGOIULBW-CXAGYDPISA-N 385.424 -0.060 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CCCN(C(=O)[C@@H](C)OCc3cnn[nH]3)C2)nn1 1575111305 CRAPWUMFTFRSTI-CHWSQXEVSA-N 388.432 -0.092 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCn1ccc(O)nc1=O 1581855577 GGSPKHWYOQTXFC-CYBMUJFWSA-N 380.368 -0.372 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](O)CN(C)c1cncc(-c2nn[nH]n2)n1 1588718308 HOHOYQOTFQNILZ-SCRDCRAPSA-N 388.432 -0.497 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nn[nH]n1 1602795895 VXFXVKPHUWOZIU-BDJLRTHQSA-N 376.421 -0.761 30 20 GBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H](O)C2)cn1 1606368643 ACQPBKDREBXEMT-HIFRSBDPSA-N 379.384 -0.169 30 20 GBED Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)Cn3cnc(C#N)c3C#N)CC2)o1 1609445918 AMTSPGYLVRDNGB-UHFFFAOYSA-N 393.371 -0.548 30 20 GBED N#Cc1cn(CC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c(=O)nc1O 1628767813 TYYYUWGXYVQFQX-LJQANCHMSA-N 383.408 -0.426 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc(O)[nH]2)C1 1779781208 NLQHDJXFSBIXRP-SJKOYZFVSA-N 376.369 -0.669 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1781267681 XLAAHTIFOAANDB-AUUYWEPGSA-N 393.440 -0.396 30 20 GBED C/C(=C/C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)C(=O)O 1782017961 XSAVGKVYIZMUHK-ALEBPITASA-N 378.381 -0.381 30 20 GBED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cscn3)C[C@@H]21 1786366381 UZNYPGCTSFLHGP-MXAVVETBSA-N 377.470 -0.094 30 20 GBED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21 1786368698 SSZQYWJVNSZVOZ-DCAQKATOSA-N 377.319 -0.015 30 20 GBED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]3C2)CCC1 1786893637 DAKOCONZSDPWEY-XQLPTFJDSA-N 391.472 -0.747 30 20 GBED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]2C1 1791259590 BRHBNSRJOPPXLN-DGTMBMJNSA-N 392.543 -0.035 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccccc1=O)C2 1793342768 QFXNWKJYSWBXJH-GGXPGOJBSA-N 387.436 -0.524 30 20 GBED C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1793428858 CCAXDYBIQZCJTC-HGTKMLMNSA-N 393.488 -0.631 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nnc1C)C2 1799305044 MGLXCWAYUHGIQL-YWVIFJGQSA-N 391.428 -0.174 30 20 GBED C[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)n1cnnn1 1830063945 AZJRLPSWPGKKNB-SUMWQHHRSA-N 391.432 -0.760 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCC)C2)C1 1831403244 ZGPFDKHQMBNJCT-VQIMIIECSA-N 382.457 -0.092 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1831485912 OAFADFVRFHUZAD-DYVFJYSZSA-N 397.501 -0.161 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833278883 LBKVVMSYIDDNRE-SUMWQHHRSA-N 381.454 -0.292 30 20 GBED CCOCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1834982256 CMBGXLYAUJLDPN-LJQANCHMSA-N 396.488 -0.239 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839635944 GIXDSLOHMYAPFH-WIYYLYMNSA-N 396.447 -0.158 30 20 GBED C[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840025231 ZXZTVBFWKSZJEA-AHSURJHSSA-N 379.413 -0.464 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=COCC3)CCO2)C1 1840559052 OOLVMDDNTKHSTM-BEFAXECRSA-N 378.425 -0.215 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2 1841600682 MOFIUFXPRFONPS-CJNGLKHVSA-N 394.424 -0.277 30 20 GBED O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845066053 SBEARBRMWAJLPC-BSBIIUPLSA-N 380.445 -0.558 30 20 GBED COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN3CCO[C@H](C#N)C3)C2=O)c1 265101395 XSCQQFKCVZIEHK-RDTXWAMCSA-N 387.396 -0.282 30 20 GBED CCn1nccc1/C=c1\s/c(=C(\C#N)C(=O)NC[C@H]2CCCO2)n(C)c1=O 270074784 PDUHOKPFZLXQHR-HSVZSKRWSA-N 387.465 -0.539 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 275322052 QAHHPFGTLQRRKN-ROUUACIJSA-N 399.451 -0.759 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCCN3CCOCC3)CC2)c1 283529243 JNMWMCDIRJBTTR-UHFFFAOYSA-N 386.456 -0.560 30 20 GBED C[C@H]1C(=O)NCCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 288703979 UTZARJBAXZIDQQ-SWLSCSKDSA-N 383.408 -0.878 30 20 GBED CCn1c(=O)/c(=C/c2ccnn2C)s/c1=C(/C#N)C(=O)NCCCOC 298328560 XKPMTZSMCCHRSF-YEJJPGKBSA-N 375.454 -0.681 30 20 GBED Cc1noc([C@@H]2CN(/C(O)=N/CCC(=O)N3CCN(C)CC3)CCN2C)n1 329044639 PINHBUACTAGIMW-AWEZNQCLSA-N 379.465 -0.255 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@]3(C2)NC(=O)NC3=O)CC1 333175422 QXGSZWZVLNLRAE-KSSFIOAISA-N 376.461 -0.647 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC3(CC2)NC(=O)N(C)C3=O)CC1 361700496 KWSKZOWLKISWEJ-HNNXBMFYSA-N 390.488 -0.305 30 20 GBED Cc1ccc(C(=O)NCCS(=O)(=O)N(C)C)cc1S(=O)(=O)NCC#N 428138657 QXSOYKFEBGBHJK-UHFFFAOYSA-N 388.471 -0.582 30 20 GBED CN(CC(=O)NCc1ccc(C(N)=O)nc1)S(=O)(=O)c1ccc(C#N)cc1 440689577 BAYQAWINOHWJJK-UHFFFAOYSA-N 387.421 -0.011 30 20 GBED COCCNCCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 442200501 QWPAFGOSZYWDLU-UHFFFAOYSA-N 388.403 0.564 30 20 GBED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@@H](CO)[C@H]2CCCO2)n1 448412139 YYEDIOSKCRMTMD-DZGCQCFKSA-N 387.371 0.478 30 20 GBED Cc1[nH]c(C#N)cc1C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 448676017 FYNHNMLBVUXHAI-UHFFFAOYSA-N 380.474 -0.555 30 20 GBED Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(CC(N)=O)c1=O 524281821 BLLDPNLSFJTYDZ-UHFFFAOYSA-N 393.428 -0.485 30 20 GBED N#Cc1ncn(CCNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)n1 553502032 OBUISBZVUKROAE-UHFFFAOYSA-N 382.428 -0.210 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)NC(C)(C)C#N)CC(=O)N1 570695968 DLIUAECOARSIRM-LLVKDONJSA-N 380.492 -0.862 30 20 GBED CN1C(=O)C[C@@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1=O 572984859 PUCBDLMKYPTZRH-CHWSQXEVSA-N 383.364 -0.363 30 20 GBED C=CCOC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)O 576276890 DKOQFMPWIVLYMU-NSHDSACASA-N 392.455 -0.129 30 20 GBED Cc1nc(S(=O)(=O)NCC(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)cn1C 734587730 RRGSKPYACQXIFN-OAHLLOKOSA-N 391.409 -0.352 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2F)c1=O 758049360 BDOYLUNWZKQPFK-UHFFFAOYSA-N 385.420 -0.052 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)[C@H](C#N)C1 758769783 JNYRPNOTMDJFKH-ZYHUDNBSSA-N 398.445 -0.594 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)Cc2ccccc2OC)CC1 761024259 MDPLCFJIKXCMSD-UHFFFAOYSA-N 394.497 -0.261 30 20 GBED CS(=O)(=O)N1CCN(CC(=O)OCCOC2(C#N)CCOCC2)CC1 809083752 QENCDTXZWCTVAE-UHFFFAOYSA-N 375.447 -0.804 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)O)n(C)c2)CC1 833376808 DMJWZGOMCOCELM-UHFFFAOYSA-N 377.401 -0.892 30 20 GBED C#CCNc1nc(NC[C@@H]2CCCNC2=O)nc(NC[C@H]2CCCNC2=O)n1 840352947 YOMIXTBDGGXFMT-BETUJISGSA-N 386.460 -0.207 30 20 GBED C#CC[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)OC 843906398 NSFYEEUTRHJARI-OAHLLOKOSA-N 395.437 -0.006 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc3c(c2)CCO3)CC1 892980102 CPZIWRHVSXSCLR-UHFFFAOYSA-N 392.481 -0.041 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(C(=O)NC)c2)C[C@@H]1O 970711944 OYFNYWLGZPZDMY-NCOADZHNSA-N 387.436 -0.061 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cc(CC)nn2C)C[C@H]1O 1025710563 VRCKQRJPOGWUPU-VQHPVUNQSA-N 376.457 -0.196 30 20 GBED C#CCNC(=O)CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1056151815 SDYWPLLBCBSROY-CUYVQJCZSA-N 377.441 -0.837 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 1117472190 YOULIQHTULPAKD-HUUCEWRRSA-N 397.497 -0.554 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)N(CC)CCC#N)C[C@H]1O 1196811765 BYBOFMWILKUXIS-LHHMISFZSA-N 378.473 -0.109 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC2(CS(C)(=O)=O)CC2)C[C@H]1O 1196812796 XLBXJPARJFPLKA-JJXSEGSLSA-N 386.514 -0.046 30 20 GBED CCOC(=O)N1CCN(S(=O)(=O)N2CCC(C#N)(C(=O)OC)CC2)CC1 1211840741 WDJIIKRUQQRMBZ-UHFFFAOYSA-N 388.446 -0.216 30 20 GBED COc1ccc(OC)c2c1CN(C(=O)C(=O)N1CC[C@](O)(CC#N)C1)C[C@H]2O 1261483881 HLSNVAHAORVRPP-BFUOFWGJSA-N 389.408 -0.044 30 20 GBED C=CCOCCNC(=O)C(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1261670044 AZMJIXYJXHUKQS-UHFFFAOYSA-N 376.413 -0.131 30 20 GBED CS(=O)(=O)N1CCN(S(=O)(=O)NCc2cccc(OCC#N)c2)CC1 1319185634 TVHDOMJDANNAHF-UHFFFAOYSA-N 388.471 -0.499 30 20 GBED CCNS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 1322579113 QEKNKDJRKQPMLM-UHFFFAOYSA-N 393.469 -0.738 30 20 GBED C=C(C)COCCNC(=O)C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 1323891060 LIWXXMIDUMXPCB-ZDUSSCGKSA-N 379.417 -0.063 30 20 GBED COCCN(CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1325647295 OUCAPDDLINLNFC-ZDUSSCGKSA-N 384.433 -0.263 30 20 GBED COc1ncc(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1C#N 1477078576 YWDMVBRWPSODDX-UHFFFAOYSA-N 388.428 -0.030 30 20 GBED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCC2)CCO1 1555993491 PEWMMNLDQLJEBP-STQMWFEESA-N 381.458 -0.176 30 20 GBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O 1573336083 HWUFFHPQMKVGCX-ZLKJLUDKSA-N 389.416 -0.523 30 20 GBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCO2)C1 1573567437 MYFPLAOBCJGIFM-GTNSWQLSSA-N 384.400 -0.202 30 20 GBED N#CCSCC(=O)N1CCC[C@@](CO)(Nc2nccnc2-c2nn[nH]n2)C1 1581858607 NHEMPQYNSWARTI-OAHLLOKOSA-N 389.445 -0.321 30 20 GBED C#CCNC(=O)CN1CC[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC[C@@H]21 1588354354 LFECXHVLAAYMEG-WFASDCNBSA-N 382.428 -0.519 30 20 GBED C#CCOCCC(=O)NC[C@]1(O)CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 1588361496 OHRBNYSSXMYNQN-LJQANCHMSA-N 384.440 -0.040 30 20 GBED C#CCN(C(=O)N[C@H]1CCCCN(CC(=O)O)C1=O)[C@@H]1CCS(=O)(=O)C1 1588396775 ZQJKOIOYIZSBRR-OLZOCXBDSA-N 385.442 -0.716 30 20 GBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 1588503643 BMZMNGUTTUMBDJ-QGZVFWFLSA-N 390.419 -0.004 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@]1(O)CCN(c2nc(C)cc(-c3nn[nH]n3)n2)C1 1588504108 IZBHBYGVUFCNQU-IAGOWNOFSA-N 388.432 -0.650 30 20 GBED C=CCCOCC(=O)N1CCO[C@@H]([C@@H](C)N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1588616830 NBLMTOHICFNZKL-CHWSQXEVSA-N 388.432 -0.301 30 20 GBED C=CCNC(=O)NC(=O)CN(C)CCCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588658239 CYNHUVZBLRWICW-UHFFFAOYSA-N 389.420 -0.742 30 20 GBED C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC(n2cc(-c3nn[nH]n3)c(O)nc2=O)C1 1588718610 OBMIJXFGONNEDI-NEPJUHHUSA-N 388.388 -0.571 30 20 GBED C=CCNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O 1602863674 MWXJPLGDCMBQCM-KRWDZBQOSA-N 398.383 -0.355 30 20 GBED CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N(CC#N)CC(=O)O)C1 1603423762 UPJUIGONPCFVFU-NSHDSACASA-N 389.430 -0.153 30 20 GBED C[C@H]1CN(CCC(=O)O)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1604790683 MRTYEPBCXSWHRH-ZDUSSCGKSA-N 394.453 -0.156 30 20 GBED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1785354293 HOXSZFHTNQPSHU-SFHVURJKSA-N 376.413 -0.337 30 20 GBED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1 1786839648 ODFYRUKZDBECDP-KKUMJFAQSA-N 395.529 -0.275 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/c3cnccn3)[C@H]2C1 1791701633 FSGDAGBZHUQACK-LWNQUJOVSA-N 384.392 -0.443 30 20 GBED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1)n1cnnn1 1795278268 YYZRYWCWRCFCOO-VYCZESIESA-N 394.435 -0.125 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1)C2 1795597681 SXJHAOGUDAUXEC-ALXJQNPVSA-N 391.516 -0.046 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2 1799305102 OURXGAUEWUXQRM-IVSAIRAKSA-N 377.441 -0.387 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1ccnn1 1800263670 KQCMQFKWVZPLTG-NPJQDHAYSA-N 375.429 -0.533 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 1801067059 PTIFYWWWXXCGSF-WVCIDPQESA-N 379.457 -0.307 30 20 GBED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC)C(=O)O)C2 1801165231 CYHBLAQBFKISSA-BASYENTBSA-N 379.457 -0.168 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CC(N)=O)C3)C2)C1 1829660884 JTJSKPPYEFMRNN-LIRRHRJNSA-N 379.457 -0.080 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C)C2)C1 1829771526 UMTMTRASCYOVRW-DBZOAYAQSA-N 377.441 -0.123 30 20 GBED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)n1cnnn1 1831224023 AVTNAYJOEKBUBI-KSSFIOAISA-N 388.428 -0.896 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(OC)nn1C)CCO2 1833448748 LWQJQHXUWQZRSO-IBGZPJMESA-N 390.440 -0.088 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1834769000 UAUCFHNXTRXJIK-GOSISDBHSA-N 378.429 -0.631 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1835672990 QBYSMQKIEJMHHH-SFHVURJKSA-N 377.445 -0.362 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1837396559 JELHMWYRLQYUME-UIVXKWKOSA-N 396.484 -0.213 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1840159413 CGBNZRSCQDUPJG-RHSMWYFYSA-N 387.502 -0.907 30 20 GBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)N2CCN(C)CC2)C1 1845096828 SLLOENLXVJWEQM-IAGOWNOFSA-N 376.501 -0.136 30 20 GBED CCn1c(=O)/c(=C/c2cc(C#N)n(C)c2)s/c1=C(/C#N)C(=O)NCCCOC 189555691 AKERHOPPRFGTFM-NXQFMWEHSA-N 399.476 -0.204 30 20 GBED CS(=O)(=O)NCC/N=C(/NC[C@H]1CCS(=O)(=O)C1)N1CCCCC1 262368950 IFBKHGDVNQIXNY-CYBMUJFWSA-N 380.536 -0.598 30 20 GBED COCCNC(=O)CN1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 267100132 SXOMSKKAMXURIO-UHFFFAOYSA-N 394.497 -0.288 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1=O 281237682 CQKIRZAYBFIUMO-OAHLLOKOSA-N 390.444 -0.008 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 283067772 ULLXLJNQBXUBHD-LBPRGKRZSA-N 391.475 -0.399 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)CC1 286345576 BGNWYQVOAMPSQE-UHFFFAOYSA-N 393.532 -0.188 30 20 GBED CC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 422148460 XTKKYUTWJBYDJB-MSOLQXFVSA-N 383.452 -0.040 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(C#N)c(C)c1 443882525 JPBUJXOYXODMLR-OAHLLOKOSA-N 395.437 -0.065 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(OCC(=O)N(C)C)C1 482324526 HWBPNFWHVDTMTL-LBPRGKRZSA-N 394.453 -0.459 30 20 GBED N#C[C@H]1CN(C(=O)NCCCN2C(=O)CNC2=O)C[C@@]12C(=O)Nc1ccccc12 514033352 SKCUEFFVSAETOR-HXPMCKFVSA-N 396.407 -0.017 30 20 GBED COC(=O)CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 524961169 VOGCTESTCGTABK-UHFFFAOYSA-N 387.439 -0.185 30 20 GBED Cn1ncc2c(N3CCN(C(=O)C(=O)Nc4ccc(C#N)cn4)CC3)ncnc21 574343115 RXCQICNFBBWSRO-UHFFFAOYSA-N 391.395 -0.083 30 20 GBED COC(=O)[C@@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 581618061 OSUUDKBVAACWJT-NSHDSACASA-N 389.455 -0.082 30 20 GBED CS(=O)(=O)CC1(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCC1 599079873 FSZGWIHPUNNNNA-UHFFFAOYSA-N 395.441 -0.398 30 20 GBED CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 645882387 MSCLTXNWKNMKQI-GTNSWQLSSA-N 395.437 -0.198 30 20 GBED COCCN(CCC(=O)OC)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 733221994 HXKXFINPEDBIPX-UHFFFAOYSA-N 383.426 -0.237 30 20 GBED C=CCNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O 749671342 IMIMDFWUCNVZID-QGZVFWFLSA-N 398.383 -0.559 30 20 GBED C#CCOc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)cc1 784970134 JOHSPQDHXLTTRG-MRXNPFEDSA-N 375.425 -0.211 30 20 GBED CN(C)c1c(C=NNS(=O)(=O)CCc2ccccc2)c(=O)n(C)c(=O)n1C 807974447 HMWPECVKZZXVCH-UHFFFAOYSA-N 393.469 -0.354 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1)[C@@H]1CCCO1 809309554 NMUBGPRRASVZOO-JYJNAYRXSA-N 378.473 -0.658 30 20 GBED C#CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)OC 837931372 WXCLKGZCOZZUDM-HNNXBMFYSA-N 395.437 -0.053 30 20 GBED Cn1cc(C=NNC(=S)NCc2ccc3c(c2)OCO3)c(=O)n(C)c1=O 839394698 UJXWIFWEGVLYFA-UHFFFAOYSA-N 375.410 -0.189 30 20 GBED COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@H]3CCCN(O)C3=O)cc2)[nH]1 848138910 VFVCJLONMJVAAA-AWEZNQCLSA-N 388.380 -0.009 30 20 GBED C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@@H]3C2)cn1 975193536 UYTJFRQOPUSFGN-MXASKKJJSA-N 382.420 -0.231 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CC(=O)NC1=O 1000567071 OPBPUXXXGRKOKF-DGTMBMJNSA-N 376.413 -0.623 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c([nH]2)CCOC3)C1 1024064026 OUSOBIBPCFKIEW-YYQUZTFQSA-N 375.425 -0.020 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1046708028 FMYNBHGPNHTFIE-BARDWOONSA-N 379.457 -0.619 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cncc(-n2ccnn2)c1 1109561669 KCDXSFSIRZOGTP-PVAVHDDUSA-N 379.424 -0.253 30 20 GBED C[C@@H](CC(=O)N1C[C@@H](CO)[C@H](CO)C1)/N=C1/NS(=O)(=O)c2ccccc21 1118884145 AILQLXJNQNSUBS-AVGNSLFASA-N 381.454 -0.437 30 20 GBED C#CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)n2)O1 1130793999 HDPUNIZJTFITDF-NBFUAULTSA-N 389.456 -0.085 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCC(=O)N2CCc3ccccc3C2)nn1 1261445824 KFOGITQDLLMGMF-UHFFFAOYSA-N 382.424 -0.219 30 20 GBED CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1314526973 MAZVDTSNQSMNHI-ZDUSSCGKSA-N 396.473 -0.322 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(CC#N)cc1 1320031279 ITTJGTWXPLFZIY-OAHLLOKOSA-N 395.437 -0.179 30 20 GBED C[C@@H]1CCCN(CCNC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1321571703 KAZLESJZSXNDRF-UWZWCOGJSA-N 377.445 -0.523 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NCCOc1ccccc1F 1322733620 NMGIOBQAGUHGSN-FOCLMDBBSA-N 390.371 -0.037 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)CC1 1324435414 YAPMHFYQSWBRBH-KRWDZBQOSA-N 398.467 -0.207 30 20 GBED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cncc(C#N)c1 1324570513 GXFVJTBRDPHNLY-LBPRGKRZSA-N 386.455 -0.733 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC([C@H](O)c2ccnn2C)CC1 1329540315 OSFBFQAHWVHMTD-HNNXBMFYSA-N 398.485 -0.591 30 20 GBED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)cc1 1332595146 GMXYTIRZFABBEK-ZYHUDNBSSA-N 378.410 -0.342 30 20 GBED C=CCn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1[C@](C)(O)COC 1339097639 RJVSOVQZDBDOOV-GOSISDBHSA-N 378.477 -0.281 30 20 GBED CN1CCN(c2ccccc2CNS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 1339913020 HMWWCAJSEXRWSM-MRXNPFEDSA-N 379.486 -0.003 30 20 GBED C[C@H](NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C(=O)N(C)C 1346760180 XYXVBYWGACFEGN-NSHDSACASA-N 388.428 -0.335 30 20 GBED C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN[C@H](C)C1 1574950345 GBRNMDFFBMLZHL-CQSZACIVSA-N 396.517 -0.201 30 20 GBED C=CCOCC(=O)N1C[C@H]2C[C@@H](NC(=O)CC(=O)NCc3cnn[nH]3)C[C@H]1C2 1575107896 COCFFOXYNVEJGZ-GZBFAFLISA-N 390.444 -0.491 30 20 GBED N#Cc1ccc(C(=O)NC[C@@]2(O)CCN(c3ncccc3-c3nn[nH]n3)C2)[nH]1 1581867762 UXCMDIGYOGQITM-KRWDZBQOSA-N 379.384 -0.167 30 20 GBED C#CCNC(=O)CN1CC[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC[C@H]21 1588354352 LFECXHVLAAYMEG-SWLSCSKDSA-N 382.428 -0.519 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1OC 1588357329 LMLAWFQXUYMIIR-ZLKJLUDKSA-N 387.400 -0.811 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@@H]2O)nc1 1588370288 YCVVWHYCISGHRQ-OLZOCXBDSA-N 377.368 -0.988 30 20 GBED C#Cc1cncc(C(=O)N(C)C[C@H](O)CN=c2cc(C)[nH]cc2-c2nn[nH]n2)c1 1588377024 OIRBECZSFMYKKM-OAHLLOKOSA-N 392.423 -0.087 30 20 GBED C#CCN(C(=O)N[C@H]1CCCCN(CC(=O)O)C1=O)[C@H]1CCS(=O)(=O)C1 1588396782 ZQJKOIOYIZSBRR-STQMWFEESA-N 385.442 -0.716 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588665079 DLOSOAWGPBWNGS-DIFFPNOSSA-N 389.416 -0.521 30 20 GBED Cn1c(=O)[nH]c(N2CCN(c3ccc(F)cc3C#N)CC2)c(-c2nn[nH]n2)c1=O 1592543244 HTFUYFYTRDSZMR-UHFFFAOYSA-N 397.374 -0.409 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)CCO1 1592672997 SHGOQGQRYILGMB-ZDUSSCGKSA-N 396.411 -0.734 30 20 GBED N#C[C@]12CN(S(=O)(=O)[C@H]3CCCC[C@H]3C(=O)O)C[C@H]1CS(=O)(=O)C2 1601079429 CLMHDBABUCKEPI-KZVDOYCCSA-N 376.456 -0.170 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1c(C#N)cccc1-c1nn[nH]n1)C2 1604668309 LNGACXPLTIEFMA-UHFFFAOYSA-N 394.399 -0.795 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)NC=O)C1 1780720776 OYULLOHDKCEECJ-YYAJDYIMSA-N 379.457 -0.327 30 20 GBED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1781854772 PBZXTJJFAXLOEP-CXAGYDPISA-N 382.417 -0.427 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1783565714 XXOUBQOFQKTSJS-LJQANCHMSA-N 382.376 -0.134 30 20 GBED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)S)C2)C1 1783886390 PAQLYXZRKAPGBT-XUJVJEKNSA-N 393.531 -0.538 30 20 GBED Cc1ncc(CC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)s1 1784439731 CPARIDYVHZPTSE-KRWDZBQOSA-N 377.422 -0.088 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4cccnn34)[C@H]2C1 1789201469 LWAKYDYBOCNVNN-YDHLFZDLSA-N 381.392 -0.684 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)OC)[C@H]2C1 1791476907 FTQQTBCPESDJNJ-ZQDZILKHSA-N 397.472 -0.105 30 20 GBED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797808883 SPSDZJANXAYQFV-YNVMFWSZSA-N 393.484 -0.580 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)CCn2cncn2)[C@@H]1c1cccnc1 1812882365 MXPQPUHRYWASSK-DNVCBOLYSA-N 396.407 -0.143 30 20 GBED N#CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1816745837 QNQQOEYKSHPVQU-XJKSGUPXSA-N 376.417 -0.034 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835356870 AAGDPNFGJFEUAV-GUYCJALGSA-N 381.433 -0.807 30 20 GBED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835567775 LZUOTDIPQBSDEU-IBGZPJMESA-N 393.488 -0.306 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCSC(=N)N)CCO2 1835647705 KQGXELRLLZBHTC-INIZCTEOSA-N 383.474 -0.237 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccn4)CCO3)C2)c1 1836168936 UVSNVYCZQGHLCU-IBGZPJMESA-N 398.423 -0.147 30 20 GBED CCc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)co1 1838138735 FZJLRMUSKJMZCC-SFHVURJKSA-N 391.380 -0.605 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839859119 QXPKLWCWGPGVQN-KXBFYZLASA-N 397.472 -0.848 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(F)(F)C3)C2)C1 1840040441 LREWHSCHLNKJJM-INIZCTEOSA-N 386.351 -0.424 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1840159414 CGBNZRSCQDUPJG-WMLDXEAASA-N 387.502 -0.907 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2 1845255873 WACCJXMNXYLHGS-HNNXBMFYSA-N 384.477 -0.723 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 47937444 SDQUNSJMNWPEHI-CQSZACIVSA-N 376.438 -0.083 30 20 GBED Cn1cnc2c1c(=O)n(CC(=O)NCc1ccc(OCC#N)cc1)c(=O)n2C 67930893 BQKWBHUDWVIWSZ-UHFFFAOYSA-N 382.380 -0.348 30 20 GBED C[C@H](CC#N)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 276094596 VRVQXFGDGQOUCP-CYBMUJFWSA-N 393.469 -0.020 30 20 GBED N#Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1F 292915686 HPEWANYYHIUKIR-NSHDSACASA-N 389.430 -0.331 30 20 GBED Cn1c(=O)c2cc(NC(=O)NCCCc3[nH]nc(N)c3C#N)cnc2n(C)c1=O 298577440 LGROVSKZESWENS-UHFFFAOYSA-N 397.399 -0.437 30 20 GBED C[C@H]1CN(C(O)=Nc2cnn(CC(=O)N3CCOCC3)c2)C[C@@H](C)S1(=O)=O 329777426 KLNIZAWXABXNHU-BETUJISGSA-N 399.473 -0.205 30 20 GBED CC(C)C/N=C(/O)NC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 330685332 LHHSTTZEQAQOFH-CQSZACIVSA-N 397.476 -0.936 30 20 GBED COC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc(CC#N)ccn2)C1 349499704 GBANFNXEVUEHGN-UHFFFAOYSA-N 388.471 -0.060 30 20 GBED Cn1cnc(S(=O)(=O)NCC(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 372025131 JJWVLVFBTJMDIV-UHFFFAOYSA-N 386.397 -0.211 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C1CC1 440380206 FXRMVGLROHSIMO-UHFFFAOYSA-N 384.417 -0.025 30 20 GBED CCN1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@H](C)C1=O 441000505 QMXMOXUNUCBRNK-CYBMUJFWSA-N 395.423 0.216 30 20 GBED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460718494 OSNHFFJADLQWTE-KGLIPLIRSA-N 395.423 0.417 30 20 GBED Cc1nn(C)c(N2CCN([C@@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)CC2)c1C#N 472149114 BMMMZRYXOMSMFS-GJZGRUSLSA-N 387.488 -0.165 30 20 GBED COC(=O)[C@H]1CNC(=O)CN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 477132706 CYKWDYXFVCZDGC-CYBMUJFWSA-N 375.385 -0.429 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(C#N)c(F)c1 489716595 IKTFJJSWKRXJED-AWEZNQCLSA-N 399.400 -0.234 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 519768382 HUKLEVORTQKIPZ-QNSTZXKLSA-N 391.515 -0.371 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1C 539692260 ZLTJOLIDMUPSQB-UHFFFAOYSA-N 388.424 -0.176 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1=O 551472123 NRHCHGJHTLSMSA-JKSUJKDBSA-N 379.505 -0.769 30 20 GBED CCOC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 565843453 OYYQJVCEATVMPT-UHFFFAOYSA-N 387.439 -0.138 30 20 GBED CC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 569001730 JCJSTPJYLHXKMW-GFCCVEGCSA-N 386.455 -0.226 30 20 GBED C[C@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@@H](C)N1CCOCC1 571510385 XRRUDHOAHUZJLV-QWHCGFSZSA-N 391.476 -0.520 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@]2(O)CCS(=O)(=O)C2)c1 578143991 FAAOQIVGOCQKGI-HNNXBMFYSA-N 388.467 -0.570 30 20 GBED CS(=O)(=O)N1CCN(CCNC[C@H](O)COc2ccc(CC#N)cc2)CC1 591729199 KNOBQAHTXINEMI-KRWDZBQOSA-N 396.513 -0.341 30 20 GBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 593688661 PLEGDSLSVQJLHE-VXGBXAGGSA-N 387.371 0.430 30 20 GBED CC[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1 594619411 NFSDXQBXTBSZCV-WDEREUQCSA-N 388.471 -0.239 30 20 GBED CN1CCC(N2CC[C@H](N(C)C(=O)C(=O)N3CCN(CCC#N)CC3)C2)CC1 601450647 FKBPZSQQRSVYSQ-SFHVURJKSA-N 390.532 -0.329 30 20 GBED C=CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 658386887 ZMRODTKFCFEXDN-UHFFFAOYSA-N 380.426 -0.562 30 20 GBED C[C@@H](C(=O)OCC(=O)N(C)C(C)(C)C#N)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745450350 ZMHUCNJGVJWMJG-QPKSUZNQSA-N 377.397 -0.159 30 20 GBED O=C(C#Cc1ccccc1)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 773455295 WOPBCNLYUXYXNM-QGZVFWFLSA-N 390.461 -0.087 30 20 GBED C[C@H](OC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)N(C)CCC#N 789112197 HKQDAJNDPDUQRV-YVEFUNNKSA-N 394.428 -0.094 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2c(C)nn(C)c2N2CCOCC2)CC1 895915855 MVFNDJTZOUGOKW-UHFFFAOYSA-N 396.517 -0.850 30 20 GBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 898482589 KUJKSQHVYPYIMI-QGZVFWFLSA-N 382.505 -0.440 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2ccnc(OC)c2)C1 970652736 DWWJCDTTYPBDAF-WCVJEAGWSA-N 375.425 -0.088 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 973022103 UPICEHLVJNTRTJ-TUVASFSCSA-N 375.429 -0.768 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(=O)Nc2cc(C)on2)C[C@H]1O 1023960666 RHDCKDPXRKRFLV-SYQHCUMBSA-N 392.412 -0.409 30 20 GBED C[C@@H]1CC[C@H](C(=O)N2CCN(c3cnc(C#N)cn3)[C@H]3CS(=O)(=O)C[C@H]32)O1 1054787874 DKVHFCZXHKNLNK-FAAHXZRKSA-N 391.453 -0.270 30 20 GBED C#CCNC(=O)CC(=O)N1CCOC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 1061736151 DEHKLTQCHWQZOM-JTOWHCCKSA-N 377.441 -0.715 30 20 GBED C#CCNC(=O)CC(=O)N1CC2(C[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CO2)C1 1069052966 NEEAAMFRUDNPJC-TUVASFSCSA-N 375.425 -0.821 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cncn1 1111369758 OPEWMBXVNMTZIK-SYQHCUMBSA-N 375.433 -0.600 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)n(CC(=O)NC)n2)C1=O 1116921988 LRDKUFQOVRLCCQ-LBPRGKRZSA-N 376.417 -0.879 30 20 GBED CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 1118823111 AXKMFNKHMBYWHO-GOSISDBHSA-N 383.452 -0.061 30 20 GBED N#Cc1cn(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nn1 1189449619 IKJZXCRLMRFITH-UHFFFAOYSA-N 376.398 -0.191 30 20 GBED N#CCc1cccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1321548352 IKZBAZKFJAIUOL-CYBMUJFWSA-N 385.467 -0.276 30 20 GBED CC[C@@H](NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C1CCOCC1 1323381248 RSQFZPRUKTVKBJ-JFVSRZABSA-N 378.429 -0.050 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2CCCCS2(=O)=O)CC1 1323732032 TWBHVANMVGEIBC-AWEZNQCLSA-N 383.470 -0.942 30 20 GBED CN(C)C1CCN(c2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc2)CC1 1323808719 LTYDZIMEDRCCPP-UHFFFAOYSA-N 386.456 -0.089 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)Nc2ncn(CC(=O)OCC)n2)CC1 1326218070 JIUZKCNWAYKKBI-UHFFFAOYSA-N 378.433 -0.064 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)nn1 1326225973 JAPAJAQSVYZXNX-UHFFFAOYSA-N 385.428 -0.372 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1 1335585641 SNJVTQHGGPZLNX-HNNXBMFYSA-N 389.453 -0.819 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cccc(F)n3)CC2)C1=O 1344507660 WDUQNYRBKKEONJ-UHFFFAOYSA-N 375.360 -0.154 30 20 GBED C[C@@H](C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)n1cnc(C#N)n1 1538575507 ORAHGTAJNFIQJS-LBPRGKRZSA-N 396.473 -0.200 30 20 GBED C#CCNC(=O)CN1CC[C@@]2(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCC[C@H]12 1573286150 UVEZRBRKIFRYGW-KSSFIOAISA-N 382.428 -0.329 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(c2cc(C)ncc2-c2nn[nH]n2)CCO1 1573286971 JPJPFUZGWGJACF-ZIAGYGMSSA-N 385.428 -0.070 30 20 GBED C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1573572840 KHHWFNPIGCIVHX-LLVKDONJSA-N 385.432 -0.335 30 20 GBED C#CCN(C(=O)CCOCc1cnn[nH]1)C1CCN([C@H](CC)C(N)=O)CC1 1574894560 CBHJZJWTGSWRLI-MRXNPFEDSA-N 376.461 -0.099 30 20 GBED C=C[C@](C)(CC)C(=O)NC1(CCO)CN(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575073125 NGWAGRIPBBNAPZ-QGZVFWFLSA-N 392.460 -0.507 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@@H](C)C1CN(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575075140 ZOLPVVOOQGEFIQ-GTNSWQLSSA-N 378.433 -0.899 30 20 GBED CC[C@H](C(=O)N(Cc1cnn[nH]1)C1CCN(CC(=O)NCC#N)CC1)N(C)C 1576616894 WCXGQCFCQJCWTF-MRXNPFEDSA-N 390.492 -0.422 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1581855932 RAZUANACEQLWQH-RBSFLKMASA-N 381.396 -0.335 30 20 GBED C#CCN1CCC(C(=O)N[C@H]2CCN(c3cncc(-c4nn[nH]n4)n3)C2)CC1 1588351666 DQCJKIATQHYRIM-AWEZNQCLSA-N 381.444 -0.303 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3nn[nH]n3)c2)CC1 1588354098 QFOVVTYLSUHGPI-UHFFFAOYSA-N 381.443 -0.846 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3nc(C)ccc3-c3nn[nH]n3)C[C@H]2O)cn1 1588369905 ADVPBFWBJVCDKL-HZPDHXFCSA-N 390.407 -0.074 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)O)s2)CC1 1588486439 ZHVBIZUZXBHMPA-UHFFFAOYSA-N 393.468 -0.780 30 20 GBED C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2-c2nn[nH]n2)CC1 1588659976 UUDBDFRRYNVQEQ-UHFFFAOYSA-N 391.457 -0.525 30 20 GBED CN(C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)CSCC#N 1591046485 UBBCTNIWDWHEBA-SNVBAGLBSA-N 378.418 -0.999 30 20 GBED CN(CCNC(=O)c1cc(-c2nn[nH]n2)cn1C)C(=O)c1cc(C#N)cn1C 1591098226 XLNPDDDZJGGVER-UHFFFAOYSA-N 381.400 -0.083 30 20 GBED CN(c1cccc(C#N)c1)[C@@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)C1 1591158822 WINYVTWEENXNOM-CYBMUJFWSA-N 393.411 -0.160 30 20 GBED CN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C(=O)O)C1 1598605288 YNSRVDOUJYXHDV-LBPRGKRZSA-N 394.453 -0.410 30 20 GBED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2 1779106235 YSMORIAMEVYFKM-TWFPNHQZSA-N 392.456 -0.127 30 20 GBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783246198 VHVLEVHZSATMOP-SJKOYZFVSA-N 395.506 -0.006 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785154199 CKBUHZFVAHUUDD-YTFOTSKYSA-N 392.456 -0.224 30 20 GBED C=CC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1790830418 OWXHCBXEDBXWTA-BRFLTPSNSA-N 395.500 -0.171 30 20 GBED C[C@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793263130 IYJSGCVHDZNABQ-GTYSZEQSSA-N 378.425 -0.395 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](N)[C@@H](C)CC 1795544352 NJZAUFBQTOLQOS-BJDJKKQBSA-N 392.500 -0.192 30 20 GBED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2 1797740943 HQNPHHVHZZXKTN-DJRHUFDISA-N 389.460 -0.661 30 20 GBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC(C)=O)OC(C)=O 1797794258 ZVPNUEKGAQNQII-IVSAIRAKSA-N 382.413 -0.353 30 20 GBED COC(OC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797835551 IAZNPACBTZRXGO-OEPJXZRUSA-N 379.413 -0.093 30 20 GBED COC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797839071 GWMVXEZKAQDRDL-UADDQELFSA-N 392.412 -0.356 30 20 GBED N#CCCC(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1806862645 GMAAPUQSLSPTTD-DAYGRLMNSA-N 386.456 -0.016 30 20 GBED C[C@@H](S)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814810280 NOKYBYLPPQFNSW-VGMNWLOBSA-N 385.515 -0.034 30 20 GBED CN1C(=O)CC[C@H]1C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825670139 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-0.699 30 20 GBED N#CCCN(CCC#N)C(=O)CN1CCN(C(=O)CN2CCOCC2)CC1 105544493 JQLXPPQTZOABBE-UHFFFAOYSA-N 376.461 -0.881 30 20 GBED CCS(=O)(=O)NCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 268757418 JWNMZELEPDTXCO-LLVKDONJSA-N 388.471 -0.719 30 20 GBED COCC(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 268844091 UXPCLLCDPPHFLJ-CYBMUJFWSA-N 394.453 -0.458 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 281784477 NNCUOVWZZKEPJC-AWEZNQCLSA-N 393.473 -0.034 30 20 GBED C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)CCCS(=O)(=O)N(C)CC#N 349485540 URLMPVDSHAXEIF-ZSMADZGOSA-N 385.533 -0.667 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1CCN2C(=O)CC[C@H]2C1 349586934 GFCMKNVCNFGEPM-ZDUSSCGKSA-N 392.503 -0.812 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCCS(=O)(=O)N2CCOC2)n1 349605700 VLWHFJZAGIMCMS-UHFFFAOYSA-N 377.448 -0.567 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 349610463 JUVSLGSCRFNJHY-VMCMIOBHSA-N 391.515 -0.371 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 377786808 XZMYKIFLYDDJPW-LSDHHAIUSA-N 378.454 -0.184 30 20 GBED C=CCn1cc(CNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)nn1 424910305 YNDYBEUQSUXYSC-INIZCTEOSA-N 376.417 -0.304 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1C(N)=O 440964042 USHFGSQDRIELDN-KGLIPLIRSA-N 395.423 0.546 30 20 GBED CC(=O)Nc1ccc(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cn1 527891798 YKPIVBHGCDAKAG-UHFFFAOYSA-N 383.368 -0.060 30 20 GBED Cc1cc(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)n(CCC#N)n1 532995245 FDRUTQNTXYYNOH-ZDUSSCGKSA-N 396.473 -0.028 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 564513527 OFQMFUDQVIDUOR-UHFFFAOYSA-N 378.370 -0.242 30 20 GBED COCCN(CCN(C)C)C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 568848940 FSZRJQDBCXIXCL-UHFFFAOYSA-N 388.472 -0.362 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)CC[S@](=O)C1 579613697 ZQNQUMYDHDUWPW-YTEVENLXSA-N 399.560 -0.372 30 20 GBED Cc1ccc(C(=O)NCCCN2C(=O)CNC2=O)cc1S(=O)(=O)NCC#N 609414147 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C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(c3ccccc3)=NO2)CC1 831556967 XYBCYGLUOKUSBF-MRXNPFEDSA-N 376.438 -0.209 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2N2CCOCC2)CC1 831560726 GBDVZQZDOVWWNZ-UHFFFAOYSA-N 392.481 -0.251 30 20 GBED CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NS(=O)(=O)CC1(C#N)CCC1 860671410 CDNGXSIADLCJLD-UHFFFAOYSA-N 386.474 -0.064 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)CN2CCCCC2)CC1 892178876 DQJUFACAQSGKKR-MRXNPFEDSA-N 385.534 -0.097 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 1022698026 GCTUTPLGPHSWGY-YJNKXOJESA-N 390.440 -0.421 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(C)(C)NC(=O)NCCC 1110149546 OBBPTCIUWWOTEE-ILXRZTDVSA-N 377.489 -0.055 30 20 GBED Cc1csc(=O)n1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110669630 UJRXNDLQOPIRLJ-MCIONIFRSA-N 377.470 -0.030 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1195427554 LLEHCFOXNUFLQI-NSHDSACASA-N 380.478 -0.068 30 20 GBED C#CCOc1ccccc1NC(=O)C(=O)Nc1cnn(CC(=O)NCCO)c1 1320679434 MEEFMVUPYPXLQD-UHFFFAOYSA-N 385.380 -0.419 30 20 GBED C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)CCO2 1322696336 VSIARWYVIVXGLY-OVMDXNPTSA-N 392.412 -0.965 30 20 GBED C=CCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@H](C)COC 1327763546 AGEZYPWZEQBWEJ-CVEARBPZSA-N 380.489 -0.199 30 20 GBED N#Cc1ccc(CCNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 1328150962 UHUUFQXETZSIJK-UHFFFAOYSA-N 397.435 -0.834 30 20 GBED CCOCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1343273949 UTUQOFRPFHTERV-MGPQQGTHSA-N 399.469 -0.726 30 20 GBED Cn1c(C2=NC(=O)NC(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1344798786 KXFQABDZZMDYMY-UHFFFAOYSA-N 379.384 -0.163 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCCN2C(=O)COc3ccccc32)C1 1349221417 JZXIMJFNIKECSA-IBGZPJMESA-N 386.408 -0.205 30 20 GBED N#C[C@@H](C(=O)CCNC(=O)c1ccsc1)C(=O)N1CCS(=O)(=O)CC1 1356016540 GFCACTLILDOZNY-LBPRGKRZSA-N 383.451 -0.166 30 20 GBED CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)CC#N 1503837131 TYCUCZINXIMUPZ-LBPRGKRZSA-N 383.478 -0.312 30 20 GBED C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)O)CC1 1573368226 KGOTUKVAYFPGCE-LLVKDONJSA-N 377.405 -0.669 30 20 GBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)c2cncc(-c3cnn[nH]3)c2)C1 1577719339 QLDIBVGKPCKSBI-HUUCEWRRSA-N 377.368 -0.492 30 20 GBED N#CCSCC(=O)N[C@@]1(CO)CCCN(c2cnc(-c3nn[nH]n3)cn2)C1 1581858419 FOKNCNBBAIQUGO-HNNXBMFYSA-N 389.445 -0.639 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O 1588358405 WTYCMQQGEFAFIF-IUIKQTSFSA-N 388.403 -0.295 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1 1588500103 QQOCODBJKLDAPO-SJKOYZFVSA-N 375.433 -0.156 30 20 GBED CN(c1cccc(C#N)c1)[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)C1 1591158823 WINYVTWEENXNOM-ZDUSSCGKSA-N 393.411 -0.160 30 20 GBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C12CCC2 1602722392 PNIKMGTXRAKYKX-UONOGXRCSA-N 382.428 -0.425 30 20 GBED Cc1nc(=NC(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)n(-c2ccc(C#N)cc2)[nH]1 1606058274 SPWMNVPGKNBDPF-VIFPVBQESA-N 390.371 -0.159 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COCc2ccnn2C)C[C@@H]1O 1757212553 MMAGKESTPBDXAV-WCVJEAGWSA-N 378.429 -0.784 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)CC1 1782956363 ACVVPKMEHUTXAC-DYVFJYSZSA-N 381.454 -0.303 30 20 GBED CNc1nsnc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783555618 KEDRCWOUUJYZGO-HNNXBMFYSA-N 379.398 -0.889 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1783564777 MISZEYGFLQLAEU-UZLBHIALSA-N 384.388 -0.092 30 20 GBED Cc1cn(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)S)C3)C2)c(=O)nc1O 1783899976 ITIQJIAHPFASLG-SJKOYZFVSA-N 396.469 -0.594 30 20 GBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1783919632 GLIPKSJOVZPJJS-APWZRJJASA-N 389.456 -0.137 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N(C)C(C)=O)[C@H]2C1 1787513446 HFPWJYJZJSDDSO-YFUQURRKSA-N 393.484 -0.129 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1791075630 HOZCTIPZJAVNGM-DRZSPHRISA-N 389.364 -0.826 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)C(C)(C)C 1792912521 LRTRTGCBXUNPRY-GXKXQIGZSA-N 393.484 -0.159 30 20 GBED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cscn1 1796305602 VCMWVFUOSJPCSL-LMWOUKEDSA-N 377.470 -0.094 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CC)NC(N)=O 1796754631 JTJOKGLEZUPPEN-ADZLIZSBSA-N 391.472 -0.070 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ncn1)C2 1797706547 FYYHYQAYSFULBV-LMWOUKEDSA-N 390.440 -0.042 30 20 GBED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778561 HVHZDGVVHFDACU-YVWYUNDQSA-N 397.387 -0.385 30 20 GBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cc(C)on1)C2 1800999375 MVWTWKHRPIWKNZ-FVCICTRLSA-N 376.413 -0.121 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CN)[C@H]2c2cccnc2)c1 1808268247 VPGWKKTYIZIEBO-YQQAZPJKSA-N 381.440 -0.113 30 20 GBED N#CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1816747802 BIICDESDFIRPNZ-AWEZNQCLSA-N 378.433 -0.398 30 20 GBED C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1)n1cnnn1 1822203755 NTTNDQYPDLSHHU-CMPLNLGQSA-N 386.372 -0.263 30 20 GBED Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)o1 1830055971 JDMRARLXRRYJJP-SFHVURJKSA-N 391.428 -0.073 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(F)(C1)C3)CCO2 1831593606 MKLRJRAFEOLRCF-DAWZGUTISA-N 380.372 -0.577 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1839840300 CUANWZXHKFUHJJ-DOXZYTNZSA-N 396.488 -0.752 30 20 GBED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1839887554 IJSWZYYPKGIIBU-MRXNPFEDSA-N 399.398 -0.054 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840564209 MNIONIBYKCTGBZ-YLJYHZDGSA-N 395.500 -0.179 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1840840186 DGKVKTSZOPBFGV-LJQANCHMSA-N 390.440 -0.536 30 20 GBED O=C1NC(=O)[C@@H](CC(=O)N2CCCC23CN(C(=O)C#Cc2ccccc2)C3)N1 1841959388 ORUJSXGCBWGUIO-OAHLLOKOSA-N 380.404 -0.160 30 20 GBED C#CCOc1ccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 274686701 OMGZRNNPNQQKKH-SJORKVTESA-N 378.450 -0.386 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 275322053 QAHHPFGTLQRRKN-ZWKOTPCHSA-N 399.451 -0.759 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@H](Cc1ccccc1)C(N)=O)c1cc[nH]n1 278164489 PLGMLHPVXXEDOT-LIIAEISMSA-N 387.396 -0.094 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC(=O)N(C4CC4)C3)n2)cc1 279322054 ADYDSHYJKVZTON-UHFFFAOYSA-N 379.380 -0.073 30 20 GBED NS(=O)(=O)c1cnn(C/C(O)=N/C[C@@]2(N3CCOCC3)CCSC2)c1 328737357 GYMHPXGBHQEQCR-AWEZNQCLSA-N 389.503 -0.305 30 20 GBED CN1C(=O)[C@]2(CCN(/C(O)=N/C[C@@H](N3CCOCC3)C(F)(F)F)C2)N=C1O 329295366 KBPXBAYXBSQVNO-QMTHXVAHSA-N 393.366 -0.006 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 349555070 NBTLMUBSFURRCB-STQMWFEESA-N 381.476 -0.923 30 20 GBED C=CCC[C@@H](CO)NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 456767009 JHOURROGNYXNQD-LBPRGKRZSA-N 375.429 0.434 30 20 GBED COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1cc(C#N)ccc1F 484541817 YXANYTSTBRCBAR-CYBMUJFWSA-N 390.414 -0.201 30 20 GBED N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CS(=O)(=O)CCO3)CC2)nc1 509897235 FRPMYAHHYWNHMC-CQSZACIVSA-N 379.442 -0.402 30 20 GBED COC(=O)C1(O)CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 537706499 MKUWAVHYMRWNFC-UHFFFAOYSA-N 395.437 -0.063 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(CCO)CC3)n2)cc1 543526070 CKNQOLMSGRLJPB-UHFFFAOYSA-N 383.412 -0.727 30 20 GBED COC(=O)[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 565230558 ZZRBYTMRKAWGTJ-JTQLQIEISA-N 387.439 -0.139 30 20 GBED CCn1ncnc1CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 568244167 CZYZQMZVXVYHLT-UHFFFAOYSA-N 398.470 -0.079 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CC(=O)N(C)C2)cc1 568244217 FLMQCIIERYTAOK-QWRGUYRKSA-N 386.455 -0.614 30 20 GBED CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CC(O)(CC#N)C2)c1 570985531 IQFOJFKDWGRUCK-UHFFFAOYSA-N 398.466 -0.130 30 20 GBED N#Cc1ccc(NC(=O)CN2C(=O)N[C@H](CCS(N)(=O)=O)C2=O)cc1Cl 579430299 VOUNIMDJQSIWCE-LLVKDONJSA-N 399.816 -0.251 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ncn(CC(=O)OC(C)(C)C)n2)C1=O 592658707 PQBIJSDNDOVWNH-UHFFFAOYSA-N 392.372 -0.465 30 20 GBED COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCCCn1cc(CO)nn1 593595794 JPEOQGSEMGKCDT-UHFFFAOYSA-N 379.398 -0.203 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)C1=O 726042827 MZIDJFMTSWNROO-NSHDSACASA-N 391.384 -0.116 30 20 GBED C#Cc1cccc(N(CC(=O)NC)C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 742685045 UPEMGDXALYXUND-RGCFKVTRSA-N 395.415 -0.091 30 20 GBED C#CCN1CCN(C(=O)CN2CCN(c3nccn4cnnc34)[C@H](C)C2)CC1 749447591 DIKBCYPDTCLAGF-MRXNPFEDSA-N 382.472 -0.588 30 20 GBED COC(=O)CNC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767628129 PVZYRJAWTDUIRI-QWRGUYRKSA-N 397.409 -0.554 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1)[C@H]1CCCO1 773795343 NSDUTNDSYZNISX-LSDHHAIUSA-N 384.392 -0.026 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1C 783351604 ZSZYBDNWCNGEHN-UHFFFAOYSA-N 378.414 -0.374 30 20 GBED Cn1cc(S(=O)(=O)NN=C2CCC(=O)Nc3ccccc32)c(=O)n(C)c1=O 783857206 XBOLDOQRIIESDX-UHFFFAOYSA-N 391.409 -0.501 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC(=O)N(CC(F)(F)F)C2)c1=O 792720127 RZNFULKPESBDBT-UHFFFAOYSA-N 389.334 -0.835 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1)[C@@H]1CCCO1 809312367 MWYVWFZGTKTADQ-HOTGVXAUSA-N 376.457 -0.950 30 20 GBED CC(C)NC(=O)[C@@H](C#N)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 916951513 ITAPZNULGUJVJA-AWEZNQCLSA-N 392.437 -0.346 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C)CC1 959643715 MPJYJXRKSUSBQW-MXASKKJJSA-N 390.484 -0.672 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CNC1=O 1000641723 MSIMUFXODVTXQF-DGTMBMJNSA-N 376.413 -0.623 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nnnc2C(C)C)C[C@H]1O 1023941978 JYWIYBVTHIYOON-NHIYQJMISA-N 392.460 -0.534 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)COCC3)C1 1024401488 MAEWMSLTMNXKIL-XOUADPBQSA-N 390.440 -0.304 30 20 GBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)nn1 1044767491 BIWSLYJJBVJVEM-DNIRFERGSA-N 387.318 -0.640 30 20 GBED Cn1c(=O)ccn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(C#N)n2)c1=O 1055234499 AGLWLESUNMDOQU-RDBSUJKOSA-N 381.396 -0.865 30 20 GBED C#CCOCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1065153094 QFVOKOOABDMGOG-UIBIWLFHSA-N 380.441 -0.579 30 20 GBED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N 1093056337 VBSBMYSEVRWDOB-SFTQSGBHSA-N 378.458 -0.098 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nnn(C)c1C 1109107529 RFCNUKBRDOBQQH-AGIUHOORSA-N 375.433 -0.530 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nc2nccc(C)n2n1 1110056737 JEGVJMFTJUZQTM-XGUBFFRZSA-N 381.440 -0.094 30 20 GBED CC(C)CN1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CC1=O 1110618014 MMXJTCKVIHOWJP-JJXSEGSLSA-N 375.473 -0.148 30 20 GBED CS(=O)(=O)NCCNC(=O)C(=O)N1CC=C(c2ccc(C#N)cc2)CC1 1117320789 MYZHITKWLAMCSU-UHFFFAOYSA-N 376.438 -0.161 30 20 GBED C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1)c1ccc(C#N)cc1 1118556250 LVXBNYLDGIASLZ-CYBMUJFWSA-N 393.469 -0.314 30 20 GBED C=CCCCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1130234937 QADJYJKFYSEWGZ-CRWXNKLISA-N 376.461 -0.029 30 20 GBED Cn1cc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(O)nc1=O 1185102412 MFSBMQFUBLXPKD-UHFFFAOYSA-N 376.398 -0.737 30 20 GBED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 1321551339 KEWCDVNMEKKLQY-CQSZACIVSA-N 399.451 -0.068 30 20 GBED O=C(NCC#Cc1ccccc1)C(=O)NCCS(=O)(=O)NCC1CCC1 1322877958 KJGOOGKGQVCDLY-UHFFFAOYSA-N 377.466 -0.010 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1327037720 BUERNWVPYOCFLT-UGSOOPFHSA-N 383.412 -0.738 30 20 GBED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(C#N)c(F)c1 1328943972 YZABZLUXUQGSAF-ZDUSSCGKSA-N 382.417 -0.146 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 1329051337 DEWNHEJDTLGCPJ-CQSZACIVSA-N 388.424 -0.273 30 20 GBED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C(=O)N1c1cnn(C)c1 1336150729 PQQMPSKCMJHSLS-XNRPHZJLSA-N 399.455 -0.771 30 20 GBED C=CCn1c(CN2CCC[C@H](O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1340329583 GNFXMHQHOZEJLX-INIZCTEOSA-N 391.520 -0.369 30 20 GBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)CCOCc3cnn[nH]3)C[C@]2(C)C1 1574985834 MHMSHXAGIXXNMH-CLCXKQKWSA-N 388.472 -0.370 30 20 GBED Cc1nc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)n[nH]1 1583325323 MWPHSNOPNLPPBE-UHFFFAOYSA-N 389.441 -0.388 30 20 GBED C#CCOCCC(=O)NC1CC2(CC(N=c3cc[nH]c(-c4nn[nH]n4)n3)C2)C1 1588361448 NIGJVLXWPVRVRU-UHFFFAOYSA-N 382.428 -0.042 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[nH]n2)nc1 1588406343 TYCIWWNWEQHFCZ-ZFWWWQNUSA-N 388.432 -0.378 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1OC 1588505586 SDRGKBDBTUJAJM-XNJGSVPQSA-N 389.416 -0.523 30 20 GBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cc1 1602736726 GDWLEUNMDDAJOQ-CVEARBPZSA-N 391.391 -0.209 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nc3)C[C@@H]2O)nn1 1602846432 NCTNINSJSWMBMR-HIFRSBDPSA-N 396.415 -0.591 30 20 GBED CN(C[C@H](O)CN(C)c1cnc(-c2nn[nH]n2)cn1)C(=O)CSCC#N 1604720633 UQASWEUBZZQKGX-SNVBAGLBSA-N 377.434 -0.831 30 20 GBED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@H](O)[C@@H](CO)C2)CC1 1646102261 WNVKTNGAVMNKTO-NXHRZFHOSA-N 376.432 -0.180 30 20 GBED C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014564 GSLWGFDYPDECRW-HOVJHJAMSA-N 393.488 -0.201 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781045044 KYFRYQLQGOUSMV-YRBFXIGRSA-N 382.461 -0.660 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 1783488724 SUBSSTCOCQHSNC-VKRNSVOSSA-N 377.441 -0.146 30 20 GBED CNc1nsnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1783526190 CDUPYMAILXIVBO-DCAQKATOSA-N 393.425 -0.739 30 20 GBED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]3C2)c1 1787426546 LUSUCVIKTBODTJ-CSFVBSKPSA-N 389.431 -0.423 30 20 GBED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)C(=O)C(=O)O)C2 1793568079 PARUUJUIZJYUDI-FQUUOJAGSA-N 379.413 -0.794 30 20 GBED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OCC 1797589837 WWLBPWGUXKOJBY-YXPYIKCWSA-N 381.429 -0.556 30 20 GBED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1 1799137456 ZHXSKIUVYSRWQE-IWSXDTNSSA-N 381.473 -0.718 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1800774565 MITXISCAWKCONZ-KEODLESXSA-N 377.309 -0.521 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1 1802923768 RZKUWLSKPMZPQA-ZBFHGGJFSA-N 391.424 -0.093 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cc(O)ncn2)[C@@H]1c1cccnc1 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C#C[C@H](NC(=O)C(=O)N1CCCN(CC(=O)N(CC)CC)CC1)[C@H]1CCCO1 809311656 IOPGSAYTHXPILS-DLBZAZTESA-N 392.500 -0.314 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)C(=O)NCC(=O)O 827761104 UKQFCLBNWVQZCP-VHSXEESVSA-N 383.382 -0.642 30 20 GBED COC(=O)CN(CC(=O)O)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 831163955 INZBTJPVMSTKKS-JTQLQIEISA-N 397.409 -0.410 30 20 GBED C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 856408570 NOQMTFKQPQODBJ-GFCCVEGCSA-N 389.412 -0.434 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1OC 946818812 OPFOPBVZGJSKAD-RJZRQDKASA-N 376.413 -0.673 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)C1 965494673 IJFVVQYBQJNCQH-WCVJEAGWSA-N 391.468 -0.258 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 969586259 CSVNJXCPQYBHRJ-LMWOUKEDSA-N 376.413 -0.937 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(OC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 994819858 RWFQXOHKJTXSLM-NCOADZHNSA-N 391.468 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N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)COCCO)CCO3)C2)CCC1 1839195897 OHYJNUZITPMCFG-SFHVURJKSA-N 381.429 -0.854 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1839807716 KDWXXDWTJGBSNX-RXVVDRJESA-N 383.448 -0.210 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1840175917 NABIFVBKQDGCSJ-HNNXBMFYSA-N 393.362 -0.303 30 20 GBED C=CCOCCCC(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2 1841605225 JTWXECKJTGUQLN-QGZVFWFLSA-N 381.473 -0.177 30 20 GBED COc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)n1 1846195671 PWFQUCBMPDIVGE-UHFFFAOYSA-N 388.336 -0.097 30 20 GBED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1847081083 JBUWDSMMBPSKSB-CWTRNNRKSA-N 395.456 -0.030 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCS1(=O)=O 1847261539 JGEALHXNYHYPDI-YSFHWQLDSA-N 395.481 -0.376 30 20 GBED C#CCNC(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 19294474 XFSKBMIYFQCGJT-UHFFFAOYSA-N 381.410 -0.923 30 20 GBED Cn1c(=O)c2c(ncn2CCN2CCN(c3cc(C#N)ccn3)CC2)n(C)c1=O 29447377 ZMQWTLKZURIQGV-UHFFFAOYSA-N 394.439 -0.477 30 20 GBED C=CCNC(=O)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 271977954 LKEYZZBXDGKFAT-UHFFFAOYSA-N 385.417 -0.121 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NN1C(=O)N[C@@](C)(CC)C1=O)c1cc[nH]n1 292658298 ARDZMAMDMQEVTP-BBJIBYMTSA-N 380.361 -0.555 30 20 GBED CCS(=O)(=O)N(C)C1CCN(/C(O)=N/CCN2CCN=C(O)C2)CC1 329690352 BMCCUTJMIUWDCJ-UHFFFAOYSA-N 375.495 -0.082 30 20 GBED C[C@H](C/N=C(/O)N[C@@H]1CCCN(S(C)(=O)=O)C1)CN1CCN(C)CC1 329844982 XVSQZHWSWCZGBM-HUUCEWRRSA-N 375.539 -0.203 30 20 GBED CNC(=O)CN1CCC(/N=C(/O)N2CCN(CC(=O)NC(C)C)CC2)CC1 330384016 QLQXMWXVCSREOU-UHFFFAOYSA-N 382.509 -0.747 30 20 GBED C[C@@H](C(=O)N(C)CCC#N)N1CCN([C@H](C)C(=O)N(C)CCC#N)C[C@H](O)C1 372292479 BQWZPEAOIBKSST-FVQHAEBGSA-N 392.504 -0.514 30 20 GBED C=CCN(CCOC)C(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 410902949 AQBLMKACRJZQNV-UHFFFAOYSA-N 396.469 -0.425 30 20 GBED CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC1 410932345 UEBUBOYJRQMJHX-AWEZNQCLSA-N 388.490 -0.497 30 20 GBED C[C@@H](CN)CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 419958742 QMLLRPHQJIYNKS-ZDUSSCGKSA-N 393.469 -0.898 30 20 GBED CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 427697812 WFCLPXXULNQTNJ-GHMZBOCLSA-N 392.416 -0.153 30 20 GBED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CC(=O)OC)C1 508883972 DNGSDHAEIQUOOA-VXGBXAGGSA-N 387.462 -0.157 30 20 GBED N#Cc1ncn(CCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 560761707 RZQDNUYMUWZWOP-UHFFFAOYSA-N 390.425 -0.399 30 20 GBED C=CCOC[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)O 564926081 FNXSSKXUOSHWON-CYBMUJFWSA-N 392.455 -0.129 30 20 GBED C[C@@H]([C@@H](C)NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)N1CCOCC1 571510384 XRRUDHOAHUZJLV-OLZOCXBDSA-N 391.476 -0.520 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CC#N)CC2)cc1 579613451 PVQXLCGKFJWKMS-UHFFFAOYSA-N 383.455 -0.682 30 20 GBED COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[C@@](O)(CC#N)C3)c2)nn1 592300172 YHRBALUNRYYVSI-SFHVURJKSA-N 398.379 -0.131 30 20 GBED CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(C#N)cc1C(=O)OC 593538323 OCOLSWVOMJSGLZ-UHFFFAOYSA-N 383.382 -0.616 30 20 GBED C#CCCN1CCC(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 743492969 COKHHFXLBZBBPA-UHFFFAOYSA-N 386.456 -0.572 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2CS(=O)(=O)NC)cc1 749511600 MPYNMNAGCKECIZ-CQSZACIVSA-N 399.494 -0.248 30 20 GBED COCCS(=O)(=O)CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 757598206 LGRHNYGRHNYIOT-NEPJUHHUSA-N 375.447 -0.077 30 20 GBED Cc1c(C#N)cccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 770266310 SJGRWRYAZREWIE-UHFFFAOYSA-N 380.426 -0.417 30 20 GBED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(C=C)c2)c1=O 772309877 BIFPEJFIGGBSMD-UHFFFAOYSA-N 379.445 -0.035 30 20 GBED C#CCOCCNS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 784452415 XNMQLPDPKZJNIK-INIZCTEOSA-N 381.410 -0.322 30 20 GBED C#CCn1ccc(CN(CC)CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 789326187 PZWOLXUURGQZPF-CQSZACIVSA-N 381.458 -0.649 30 20 GBED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)N(CC)CCC#N)CC1 796180848 QPCYAADORBDNQQ-UHFFFAOYSA-N 395.503 -0.091 30 20 GBED C#C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1)[C@@H]1CCCO1 806985916 FBLCIDZYEZEGLP-OLZOCXBDSA-N 383.401 -0.031 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)CC1 831555926 DLHGKHAQLSCMKX-MRXNPFEDSA-N 394.428 -0.070 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC(C)(C)O)cc1 848943637 TWISUJREQDGXLP-UHFFFAOYSA-N 385.467 -0.117 30 20 GBED C#CCN(CC#CC)S(=O)(=O)CCCS(=O)(=O)Nc1nc(C)n(C)n1 848961414 ZASPTVUXZQOGLT-UHFFFAOYSA-N 387.487 -0.456 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC(=O)N(C)C 918730185 QFMGICPTCXWJQX-UHFFFAOYSA-N 397.460 -0.802 30 20 GBED C#CCOc1ncccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ncnn1 1002932272 ATTUSXSUEQJZMZ-YUELXQCFSA-N 381.396 -0.358 30 20 GBED COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)cc1C#N 1077220108 GCNIELBYBDYXRW-VVHMCBODSA-N 388.468 -0.053 30 20 GBED C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCNC(=O)C1 1110366295 OMBCFMHWNJQFQN-FPCVCCKLSA-N 378.473 -0.353 30 20 GBED CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)NCc2cc(C#N)ccc2F)C1 1119663250 TVBXXURCYAHFHA-ZDUSSCGKSA-N 382.417 -0.146 30 20 GBED C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(CC(=O)NCC#Cc3ccccc3)C[C@H]2O)O1 1196284622 WXAQEQUKMUOUCJ-NXWXRZEISA-N 385.464 -0.117 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 1321242190 VDPWHDJBHOTKBA-MELADBBJSA-N 393.444 -0.225 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 1321608581 ZVSHFCSHPLNUAD-OCCSQVGLSA-N 384.458 -0.036 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 1322694618 ORMGNWBIXRWAFR-IHZWSQAXSA-N 388.424 -0.297 30 20 GBED CN1CC[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 1324039623 QWXUJBDZVPUVNF-GJZGRUSLSA-N 383.408 -0.483 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]([C@H]3C[C@@H](N)CCO3)C2)C1=O 1328845976 HLNFINYLJXWEHO-MELADBBJSA-N 378.429 -0.292 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCN([C@@H]4CCNC4)CC3)CC2)cn1 1329641677 BQWYQQLCBBQIHK-GOSISDBHSA-N 397.483 -0.892 30 20 GBED COC(=O)CCN1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)[C@H](C)C1 1330436804 SGMSABMQEBSFSC-GDBMZVCRSA-N 391.472 -0.719 30 20 GBED C=CCn1cc(CNC(=O)C(=O)Nc2cnn(C(C)(C)C(=O)OC)c2)nn1 1333323909 YEQYCQFBLBRHCA-UHFFFAOYSA-N 375.389 -0.176 30 20 GBED Cc1cc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)n([C@H]2CCS(=O)(=O)C2)n1 1338751223 XIGUXWLLCSCMHA-NHYWBVRUSA-N 383.405 -0.046 30 20 GBED CCN(CCCNC(=O)C(=O)Nc1cc(C)nn1CCC#N)S(C)(=O)=O 1340836676 HKRRCHNFMKQBPE-UHFFFAOYSA-N 384.462 -0.169 30 20 GBED C=C(C)Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@]1(C)CNC(=O)C1 1342358046 IBRRQALQLPHALH-IBGZPJMESA-N 389.504 -0.158 30 20 GBED CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1552393933 MFXQLBZHOUBLKL-ZDUSSCGKSA-N 395.489 -0.092 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](CO)CN1CCCC1 1569932347 OGYZVJLTRCFXKJ-DZGCQCFKSA-N 380.470 -0.202 30 20 GBED COCC#CCNCc1cn(C2CN(C(=O)CCCCc3cnn[nH]3)C2)nn1 1576954426 XBAQPWWMVWMAHE-UHFFFAOYSA-N 386.460 -0.068 30 20 GBED C#C[C@H]1CCCN(c2nnc(Cn3cnc(-c4nn[nH]n4)n3)n2CCOC)C1 1588332551 MVMDLURPCYYPSL-LBPRGKRZSA-N 383.420 -0.406 30 20 GBED C#CCNC(=O)CN1CCCN(c2cc(-c3nn[nH]n3)nc(C3CC3)n2)CC1 1588354564 QFVMNPCQPXUXRK-UHFFFAOYSA-N 381.444 -0.204 30 20 GBED C#CCO[C@@H](C)C(=O)NCCN1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1588358492 XYBFOXWQGJWMEY-AWEZNQCLSA-N 384.444 -0.462 30 20 GBED C#CCN(CC(=O)O)C(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1 1588402255 OYXDKANMQGNIKR-UHFFFAOYSA-N 384.410 -0.081 30 20 GBED C#CCN1CCC(C(=O)N2CC[C@@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)C2)CC1 1602718266 QKMRGVLWTDIMRZ-CQSZACIVSA-N 381.444 -0.563 30 20 GBED C#Cc1ccc(C(=O)NC[C@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)nc1 1602739398 IAWDROZPGIIVBK-ZDUSSCGKSA-N 391.395 -0.332 30 20 GBED CC(C)(C#N)CS(=O)(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1661904777 SGQPJLWFONZHEF-UHFFFAOYSA-N 380.474 -0.016 30 20 GBED CCOC(=O)C1([S@](C)=O)CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 1663396660 VJUFXUARLVBKOF-YYUOZPCZSA-N 393.487 -0.768 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCC(=O)NC3)CCO2)C1 1778965128 NJPXTDAKZLTEMA-SIFCLUCFSA-N 393.484 -0.084 30 20 GBED N=C(N)SCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779016359 FJMNGCYXVZZSSU-MZYRPWKCSA-N 396.517 -0.085 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)c1 1780334469 CVTGXKQZFJKZRB-GOSISDBHSA-N 398.427 -0.337 30 20 GBED CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782009170 COEVOWQJHAILNX-IQUTYRLHSA-N 393.440 -0.497 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nccc3nc[nH]c13)CCO2 1783563163 XSJCHCMYRSOQAC-GOSISDBHSA-N 383.364 -0.511 30 20 GBED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21)C(O)O 1783865677 XMQBESQDNVNIJN-BPUTZDHNSA-N 392.839 -0.018 30 20 GBED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1783887032 RZDMILMLDSPDMA-QFYYESIMSA-N 380.426 -0.063 30 20 GBED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2 1783903599 UJQIFCWLFYXYIY-GOSISDBHSA-N 376.413 -0.828 30 20 GBED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]3C2)CCC1 1786804238 GBCCORXPTYGSSA-AJNGGQMLSA-N 391.472 -0.747 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2 1793819995 IYEKRHRDOZTIST-ZWUHOBOKSA-N 385.486 -0.442 30 20 GBED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N)[C@@H]1SC(=N)NC1=O 1795418440 RTWRXUSSGIAWCS-BLUODKFWSA-N 393.469 -0.318 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)N1CCOCC1 1798486078 ZZTAGKBVZLVASB-QFXBJFAPSA-N 381.473 -0.134 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1 1801439560 JHPGYPLNCVBPJH-QKGCVVFFSA-N 393.448 -0.375 30 20 GBED N#CCC(=O)N1CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812713192 IFCOGRRNOXJDHD-VQIMIIECSA-N 389.456 -0.712 30 20 GBED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CN)CC2 1822924672 MAGHEGHCVPYATR-MNOVXSKESA-N 395.485 -0.150 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[nH]n3)C2)C1 1831386591 AWDLQMMSJMTFPG-KSSFIOAISA-N 376.413 -0.482 30 20 GBED CO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682597 MCRUOAJLXJBOFZ-BEFAXECRSA-N 396.488 -0.240 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837357450 DVPLRVOMVKBWRJ-YOEHRIQHSA-N 398.485 -0.727 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1839808612 WUTCYVFLLFNUFK-FQEVSTJZSA-N 395.419 -0.030 30 20 GBED Cc1cccnc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040120 OREADVCAYZHNSV-IBGZPJMESA-N 387.392 -0.452 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccco3)C2)C1 1840041129 SLYPAEXFHGLFFT-IBGZPJMESA-N 390.392 -0.243 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1840167409 ORCVMBNVHCMDCW-KXBFYZLASA-N 377.441 -0.475 30 20 GBED CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1840200256 BJWDMCQFSSNNRX-HEHGZKQESA-N 392.543 -0.125 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)C2=NN(C)C(=O)CC2)C1 1841863338 SHTBZKMVRCDQIT-VURMDHGXSA-N 387.440 -0.344 30 20 GBED COC(=O)CN(CC(=O)OC)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 67275898 ADPWJMPZRFETHA-UHFFFAOYSA-N 397.409 -0.647 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccnc2OCCOC)C1=O 264148692 HOUXKZNGZAZLRZ-UHFFFAOYSA-N 376.369 -0.300 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(OCCO)CCOCC2)c1 282219520 SMVMJKSZSNXROA-UHFFFAOYSA-N 396.465 -0.114 30 20 GBED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 292037181 ABXVRDMOUQRKPG-WCQYABFASA-N 398.423 -0.343 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(Cc3cc(C)no3)CC2)C1=O 297719917 FTTUNKLSQSBONU-MRXNPFEDSA-N 389.456 -0.127 30 20 GBED CC(C)Nc1ccc(S(=O)(=O)NCC(=O)NCC#CCO)cc1[N+](=O)[O-] 299077122 UTBBYNNLUQILIE-UHFFFAOYSA-N 384.414 -0.195 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CCOC2)nc1 349564000 JENCAWYFWKLBHJ-CYBMUJFWSA-N 388.471 0.183 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCOC1 349567447 GAZXLZNEQRPOKW-NWDGAFQWSA-N 383.517 -0.644 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)n1 349580585 VBYUNLLMQWAYAY-NSHDSACASA-N 377.448 -0.868 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC[C@@](O)(C4CC4)C3)n2)cc1 369494585 RRUDIOGFHNQHOG-IBGZPJMESA-N 380.408 0.510 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](S(=O)(=O)NC)C2)cc1 371005656 PFPLFOZKDVEFCB-CQSZACIVSA-N 387.483 -0.085 30 20 GBED COCCN1C(=O)/C(=C/NN=C2C(=O)N(C)c3ccccc32)C(=O)NC1=S 390825757 UFHNBQVTMUIVNB-AXORPBQQSA-N 387.421 -0.270 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 409474395 KGRVHTFIDZABRN-UKRRQHHQSA-N 395.485 -0.485 30 20 GBED C=C[C@@H](CO)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 426847661 HHZVYWGJTVTEPP-DZGCQCFKSA-N 383.470 -0.121 30 20 GBED CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 459901880 NYTCRMJHAIMYMH-IBGZPJMESA-N 384.440 -0.414 30 20 GBED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CC(O)(CC#N)C3)CC2)cc1 548331315 CFLRCRFFGPQMOR-UHFFFAOYSA-N 392.481 -0.212 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N=c2nc[nH]n2C)cc1 563417115 OPPYEHUOBSYLRI-NSHDSACASA-N 398.470 -0.182 30 20 GBED CCN1CCN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)[C@H](C)C1=O 563604956 GXVPPQVEHNFBJD-LLVKDONJSA-N 375.433 -0.666 30 20 GBED C=CCSCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 563699130 UUOSZCFKNNATOB-UHFFFAOYSA-N 398.510 -0.050 30 20 GBED CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 609517911 FEVRXRIMQBDMBE-OAHLLOKOSA-N 395.423 -0.207 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 619711158 KSXHVXAUJGIQAT-JSGCOSHPSA-N 384.462 -0.390 30 20 GBED C=CCN(C(=O)C(=O)N1CCC(N2C[C@H](C(=O)O)CC2=O)CC1)[C@@H](C)COC 662912926 LHQNJPHWCZCUPS-UONOGXRCSA-N 395.456 -0.040 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745480248 DBJXUOJYGZSFGG-MMUTTWDGSA-N 379.369 -0.908 30 20 GBED O=C(O)Cn1cc(C=NNc2ccccc2S(=O)(=O)N2CCOCC2)nn1 768485200 MLPCOWARBPANFR-UHFFFAOYSA-N 394.413 -0.170 30 20 GBED COC(=O)[C@](C)(O)CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 777185047 LKGDFGLLRKMRSX-MGPLVRAMSA-N 383.426 -0.456 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccnn2CCCOC)c1=O 802723251 FMXRKXWPHRRDTF-UHFFFAOYSA-N 385.449 -0.975 30 20 GBED C#CCN1CCN(C(=O)CN2C(=O)N[C@](C)(CCC(=O)OCC)C2=O)CC1 804923751 GCEAGINMLZGMFZ-GOSISDBHSA-N 378.429 -0.582 30 20 GBED CON=CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 809586523 MJJKSJWEMFKKIB-UHFFFAOYSA-N 375.428 0.000 30 20 GBED Cn1c(N2CCO[C@@H](c3cccc(C#N)c3)C2)c(-c2nn[nH]n2)c(=O)n(C)c1=O 826355962 UZGSQTUKESHRPT-CYBMUJFWSA-N 394.395 -0.286 30 20 GBED C=C[C@H](O)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H](O)C=C 829694451 OISHJXWFERWONU-MELADBBJSA-N 383.445 -0.356 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)CC1 831556454 NPWNXJUMFMXVHE-WFASDCNBSA-N 386.499 -0.948 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2cnn(C[C@H](O)CO)c2)C1 832162357 GRPDUGSMPWMBOD-FPMFFAJLSA-N 379.417 -0.275 30 20 GBED N#C[C@@H]1CNC[C@H]1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 834489201 KOQBHBBCFPARFO-KCPJHIHWSA-N 393.425 -0.024 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC[S@](C)=O)cc1 848941141 DKKLUNXDKMJOIZ-XFNZEKPQSA-N 393.512 -0.124 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C 848960928 LOTYLEHUBICSFJ-CYBMUJFWSA-N 379.529 -0.068 30 20 GBED CCOC(=O)N1CC[C@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 858366367 AXMFLFQXEFUTOM-NSHDSACASA-N 376.373 -0.382 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCOC2CCSCC2)CC1 899060038 XQLWWLJUEBFXGC-UHFFFAOYSA-N 390.531 -0.307 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1nc(C)n(C)c1=O 1006383740 GZROIMABIQCGOI-SUJAAXHWSA-N 389.456 -0.271 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 1023808931 IFIBXOAFZGFREO-XZDPQHSOSA-N 390.440 -0.214 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)nc2)C1 1024402201 ZBBQLOBWMCXFLL-MIGQKNRLSA-N 388.424 -0.998 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N(Cc1ccccc1)[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O 1026074907 BLTDJKDRKHPBJW-VQHPVUNQSA-N 387.436 -0.337 30 20 GBED C[C@@H]1[C@H](C(=O)N2C[C@H](n3ccnn3)[C@H](N=c3cc[nH]c(C#N)n3)C2)CCN1C 1039624565 BJSWPZKMRFTOFV-TUVASFSCSA-N 381.444 -0.434 30 20 GBED C=C(Br)CN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 1070276669 UHYXTGWENQWMPH-KXNHARMFSA-N 383.250 -0.350 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCCOCC)C[C@H]1O 1196803920 PVLRRQJCZVCBRB-LHHMISFZSA-N 383.489 -0.328 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1)[C@@H]1CCCO1 1261154822 SPQQHXVAXGCEES-SRVKXCTJSA-N 375.347 -0.190 30 20 GBED C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 1262039977 AEUZYVPHRISDMO-INIZCTEOSA-N 375.473 -0.440 30 20 GBED Cn1ccnc1[C@](O)(CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1)C(F)(F)F 1321698619 RJZBVMBUOBRDGG-IINYFYTJSA-N 389.334 -0.573 30 20 GBED CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 1325903723 QQPAVVJQAMHMJX-NSHDSACASA-N 388.409 -0.277 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)C1 1326375628 NHVJKJJPQQTNKX-OAQYLSRUSA-N 399.495 -0.203 30 20 GBED COCCN1[C@@H](C)CN(C(=O)C(=O)N2CCC(C#N)(C(=O)OC)CC2)C[C@H]1C 1327040243 DSTGECSVDSUSML-GASCZTMLSA-N 394.472 -0.141 30 20 GBED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)CN(C)C)cc1 1332596423 QHDACRGIVIHLSD-SJCJKPOMSA-N 396.469 -0.260 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2Cc2sccc2C)CC1 1335701726 RFHFBKHITJKGNJ-UHFFFAOYSA-N 381.487 -0.319 30 20 GBED CS(=O)(=O)N1CC(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 1440748994 VNQARLIZHFBPRL-UHFFFAOYSA-N 379.442 -0.036 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@H](CN=c3cc[nH]c(-c4nn[nH]n4)n3)C2)c1 1571152938 LRNYGTTXZNOIJW-NSHDSACASA-N 380.372 -0.769 30 20 GBED C#CCNC(=O)CNC[C@H]1CCCC[C@@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573286258 XCQTYOAPRCDYIS-OCCSQVGLSA-N 384.444 -0.178 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573310111 UGFIQKGBFSAETF-IRXDYDNUSA-N 389.416 -0.785 30 20 GBED CCN(CCC#N)C(=O)CN[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1577909064 FBVAUPUOIXYNBD-GFCCVEGCSA-N 385.432 -0.239 30 20 GBED Cc1cc(=NC[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)c(C#N)c[nH]1 1581014088 CYCRHQHELQPPGY-CYBMUJFWSA-N 381.400 -0.263 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1C 1588354111 FUXHVRPMRRLWEF-ZYHUDNBSSA-N 384.400 -0.947 30 20 GBED CN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CCC(NCC(=O)NCC#N)CC1 1590991685 ZVTFDBCJHAGREM-UHFFFAOYSA-N 385.432 -0.193 30 20 GBED CN(C[C@@H](O)c1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)N1CCO[C@@H](C#N)C1 1591052324 WSAJOFMHRAAZSP-UONOGXRCSA-N 385.384 -0.891 30 20 GBED N#Cc1ccc(OC2CN(C(=O)Cn3cc(-c4nn[nH]n4)c(O)nc3=O)C2)cc1 1592695850 PAVPENYTIJMREZ-UHFFFAOYSA-N 394.351 -0.710 30 20 GBED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCN(C)C1 1706625911 YMEUGEHSZVGBOE-GUYCJALGSA-N 377.449 -0.788 30 20 GBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778115903 CZKAZLMBLIKOLJ-KRWDZBQOSA-N 383.470 -0.879 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1781391262 SCCLPEHNHYGYBL-LBTNJELSSA-N 380.445 -0.104 30 20 GBED CS(=O)(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1784747632 GHVJMMXSAOTZFB-KRWDZBQOSA-N 383.470 -0.055 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)C3)[C@H]2C1 1790857210 ULMCCIAUQXJZTJ-QXKUPLGCSA-N 393.484 -0.325 30 20 GBED CN1CCC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791079001 ROAWEEBBIBWUQS-UGUYLWEFSA-N 377.441 -0.604 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OC)cn1)C2 1793342441 OLMSBGFDCPKOMM-ZJOBFFGXSA-N 388.424 -0.273 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1nc(C)no1 1795813672 DUVVGPIBMJOWQK-MBMVNNNZSA-N 376.413 -0.452 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)NCC(C)C 1796462778 UMYYBLQJLKITCS-JONQDZQNSA-N 381.473 -0.061 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ncccn2n1 1797377592 PSXWYSARVDDDRU-ZXFNITATSA-N 397.435 -0.029 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOC)C2 1797708439 YSRJIWCFWUONRR-IVSAIRAKSA-N 384.473 -0.188 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O 1800194390 ZWVPABIQJVOPQM-ZSBFGKGUSA-N 392.481 -0.248 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O 1801529018 WZYKRDSALTVIDR-AYDFFVQHSA-N 386.470 -0.951 30 20 GBED CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)(C)C#N)CCO2)C1 1830049859 GECKKOCJLSNILM-IBGZPJMESA-N 394.472 -0.093 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2 1831727078 IBMPCIXAJRBXKB-LJQANCHMSA-N 386.408 -0.334 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834400181 LUEWENLBSVBTJH-INIZCTEOSA-N 395.460 -0.464 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1835564685 PGUYMQCTHHXGDQ-YZVOILCLSA-N 396.488 -0.752 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1836217115 QBSNSUKMOPLRPF-FCEWJHQRSA-N 380.441 -0.340 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839049785 VRTQRPAIFMXTTG-IBGZPJMESA-N 383.408 -0.639 30 20 GBED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COCCO)CCO2 1839195965 RHZKIJTUNVXHDZ-IBGZPJMESA-N 382.457 -0.355 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1840167401 OHCYTSORAHRSPI-LJQANCHMSA-N 391.472 -0.914 30 20 GBED Cc1ccc(S(=O)(=O)NCCN(C)c2c(C#N)c(=O)n(C)c(=O)n2C)cc1 266246788 YZPBSKCJKOKDRL-UHFFFAOYSA-N 391.453 -0.321 30 20 GBED CN(CCCNC(=O)CO/N=C(\N)Cn1cnc2ccccc21)S(C)(=O)=O 276865364 PVHNSJFNUOAISC-UHFFFAOYSA-N 396.473 -0.277 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC#CCO)o1 294256856 FDLIUZYKDJUTLF-LBPRGKRZSA-N 384.410 -0.279 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccnc2N2CCOCC2)C1=O 299515293 KGHLSGRJNMJVFR-UHFFFAOYSA-N 387.396 -0.489 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2C[C@@H](O)CC[C@H]2C1 349465772 PFXXHRUBZSBAPE-MJBXVCDLSA-N 379.504 -0.416 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2C[C@@H](O)CC[C@H]2C1 349467399 SCAGIHJMXIYBJB-BARDWOONSA-N 393.531 -0.027 30 20 GBED C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)[C@@H]1CO 349496046 OXLGTFJUYBIMMC-CHWSQXEVSA-N 381.520 -0.027 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 349546557 DSTUXCZNUVDOIM-XQQFMLRXSA-N 377.488 -0.304 30 20 GBED C=CCNc1ncc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)s1 370741586 MTWFMAUNPYYADN-RYUDHWBXSA-N 386.499 -0.031 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 374593490 MXCQLPBCUFFEET-ZIAGYGMSSA-N 394.519 -0.408 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 409497818 FWFOXXNMSIPIMW-AWEZNQCLSA-N 392.547 -0.092 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@H](O)C[C@H]3CO)n2)c(Cl)c1 442266994 KIUDHPKBEJIDTE-NWDGAFQWSA-N 389.799 0.290 30 20 GBED C=CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 459910746 SRLFPHAFWBALDO-OKILXGFUSA-N 388.490 -0.871 30 20 GBED C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 459916958 FZAFCGHOUJLADA-OAHLLOKOSA-N 386.456 -0.873 30 20 GBED N#Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 473372316 IZNBUTMKFGLTIG-UHFFFAOYSA-N 397.391 -0.683 30 20 GBED N#Cc1cn(C2CN(C(=O)NC[C@@H]3CCCCS3(=O)=O)C2)c(=O)nc1O 527851742 LZIPEWHIUNTNDB-LBPRGKRZSA-N 381.414 -0.646 30 20 GBED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccon1 532194391 BBBOMRDOPPVCMJ-UHFFFAOYSA-N 398.448 -0.293 30 20 GBED C=CCSCCNC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 579989255 HQMCTQFFRCRXOI-XUXIUFHCSA-N 377.466 -0.055 30 20 GBED CS(=O)(=O)N1CCN(CCNC(=O)C(=O)Nc2sccc2C#N)CC1 590226866 WGNYYANCAFDPEW-UHFFFAOYSA-N 385.471 -0.748 30 20 GBED COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)CO)cc1 597743636 FEJBLPOMVZRCCD-AWEZNQCLSA-N 385.442 -0.416 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)C(=O)c2cnn(-c3ccccc3)c2)CC1 733777054 ZHNLODOADQOMQV-UHFFFAOYSA-N 379.420 -0.051 30 20 GBED C[S@@](=O)CCN1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 741142562 WPACLPOGJSVJQT-RUZDIDTESA-N 397.522 -0.004 30 20 GBED C#CCOCCC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 755520845 IETTZBXVGOYMJX-UHFFFAOYSA-N 380.470 -0.311 30 20 GBED N#CCOc1cc(F)ccc1NC(=O)C(=O)N(CCO)CCN1CCOCC1 783471020 WLESFPVLLTWMQG-UHFFFAOYSA-N 394.403 -0.180 30 20 GBED C[C@H](OC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)N(C)CCC#N 789112195 HKQDAJNDPDUQRV-SJCJKPOMSA-N 394.428 -0.094 30 20 GBED C[C@@H](OC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)N(C)CCC#N 789112196 HKQDAJNDPDUQRV-SJKOYZFVSA-N 394.428 -0.094 30 20 GBED C#CCC[C@@H](O)CNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 799287052 MZTUTRRKBHJTLD-CYBMUJFWSA-N 379.438 -0.626 30 20 GBED C=CCn1cc(CNC(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)nn1 824252782 KDKDTPILXFRJRI-UHFFFAOYSA-N 380.430 -0.008 30 20 GBED CCCCN(C(=O)Cn1cnc(C#N)c1-c1nn[nH]n1)[C@H]1CCS(=O)(=O)C1 825281873 LMWRAWDPWNVXFA-NSHDSACASA-N 392.445 -0.249 30 20 GBED COC(=O)CN(CC(=O)O)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 831164991 XJPUKDHHOYHXRF-SNVBAGLBSA-N 383.382 -0.689 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3ccccc3c(=O)n2C)CC1 831574679 MIBXDBCCTKWWCA-UHFFFAOYSA-N 388.449 -0.236 30 20 GBED COCCN1C(=O)c2ccc(C(=O)N[C@@H]3CCCN(O)C3=O)cc2S1(=O)=O 848139165 SCBUGNNEIWIZHC-GFCCVEGCSA-N 397.409 -0.413 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC2(CNC(=O)OC(C)(C)C)COC2)C1=O 862297517 YJOKEYAUHRQNSI-UHFFFAOYSA-N 396.400 -0.627 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 875599883 NCLKPVDBYOBEGI-HOTGVXAUSA-N 380.489 -0.410 30 20 GBED C#Cc1ccccc1CC(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1C[C@H]1C(N)=O 960961180 DJMNQDFUMPBCSA-VSZNYVQBSA-N 381.432 -0.230 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)c3nnn(C)c3C)C[C@@H]21 960981008 LICPMEITDGMOEV-CBBWQLFWSA-N 375.429 -0.234 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 967391820 GSQNOVFGXYLBAR-UXOAXIEHSA-N 378.429 -0.994 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1O 1023942461 YCKJQQIJXFCFKW-JLNYLFASSA-N 377.397 -0.339 30 20 GBED CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1261925592 VXDSBXDOMZRLKR-NWANDNLSSA-N 382.486 -0.343 30 20 GBED CCN(C)C[C@@H]1CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1322696566 YIRWDJAENOMGPB-ZGTROFRASA-N 377.445 -0.571 30 20 GBED C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1326651258 IOZFFIMOKBJLRG-ZBFHGGJFSA-N 392.481 -0.228 30 20 GBED Cc1nccnc1N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1335491848 PWRCOOSWDNZAKJ-MRXNPFEDSA-N 383.456 -0.368 30 20 GBED N#C[C@H](C(=O)Nc1ccccn1)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1524677623 KSQFESQWSWPOJD-UPJWGTAASA-N 390.421 -0.235 30 20 GBED CC(C)N(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1541945904 NATGNKLSUWBFRO-KBPBESRZSA-N 399.521 -0.043 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(C)=O 1574955808 WXTQGZQQXAWJFQ-CQSZACIVSA-N 385.432 -0.487 30 20 GBED C#CCNC(=O)[C@H](C)NCC1(NC(=O)CCCc2cnn[nH]2)CCOCC1 1575004743 KVCHKDMRLJGFPT-AWEZNQCLSA-N 376.461 -0.480 30 20 GBED CC#CCCCC(=O)NCCN1CCN([C@@H](C)C(=O)NCc2cnn[nH]2)CC1 1575117156 GSEFLHOTBPXHNE-INIZCTEOSA-N 389.504 -0.263 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1588358206 VHPJNRDLPFJSOK-AAEUAGOBSA-N 387.400 -0.810 30 20 GBED C=C[C@H](C(=O)NC[C@H](CO)N=c1cc[nH]c(-c2nn[nH]n2)n1)c1ccccc1 1588468595 UUCRBZJGCCULEY-KGLIPLIRSA-N 380.412 -0.063 30 20 GBED N#CCSCC(=O)NC[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2F)CCO1 1592679699 ZOHHICOXVBFZKD-LLVKDONJSA-N 392.420 -0.021 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[nH]n4)n3)C[C@H]2O)c1 1602745598 KTYKMNDCMABODM-HUUCEWRRSA-N 391.395 -0.679 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCc3cc(-c4nn[nH]n4)ccc32)C1 1609494418 CZSAUUKMHGCBHP-KDOFPFPSSA-N 381.396 -0.153 30 20 GBED C[C@@H]1Oc2ccccc2N(CC(=O)NCCn2cc(C#N)c(O)nc2=O)C1=O 1646149026 ZNJRPTZCGZDJJH-NSHDSACASA-N 383.364 -0.249 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778257044 HDLYPJYFUPRGRO-FXAWDEMLSA-N 394.516 -0.345 30 20 GBED NC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779069144 NMYHNSMAJGVHOW-LJQANCHMSA-N 392.456 -0.817 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779093696 ADOQAEKDRBNYHD-VDZJLULYSA-N 381.473 -0.321 30 20 GBED Cc1c(C(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)cn2[nH]cnc(=O)c12 1780020801 YTDTUNWFMFNTIA-SFHVURJKSA-N 384.396 -0.312 30 20 GBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1783045948 GTJUUOLLXJIHDG-FZKQIMNGSA-N 381.429 -0.665 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COCCO)C[C@@H]32)c1 1789345057 NSFXDQGOMXKKBK-DZKIICNBSA-N 376.413 -0.511 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1 1793419255 NNDSXMOLFVERDQ-HPCHECBXSA-N 382.417 -0.515 30 20 GBED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 1793562960 YAOVTNHEUVGGJW-HPCHECBXSA-N 376.413 -0.739 30 20 GBED CN1CCN(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)CC1 1795419021 ZPBHUWUKIGYGRR-HGKCTWBKSA-N 377.489 -0.483 30 20 GBED C[C@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1795513118 DDOLBGVBWFJZRP-SYQRYTFTSA-N 382.461 -0.300 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795630902 ALRRNGCZZTWWHH-ZWUHOBOKSA-N 384.502 -0.912 30 20 GBED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OCC 1797589834 WWLBPWGUXKOJBY-IARIHHJXSA-N 381.429 -0.556 30 20 GBED COC(OC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797809717 BKTLKXRSKVKDST-XKHVOEOCSA-N 399.444 -0.276 30 20 GBED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)N1CCN(C)CC1 1799181812 SIFNRBPAWPRFEL-BOLBYERCSA-N 388.512 -0.375 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1cncn1 1801261048 XJOGWKCOWDAMHP-PNBKFKSVSA-N 377.445 -0.151 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCn1cncn1)CC2 1825674244 FVCWZBZGNDJCGU-SNVBAGLBSA-N 388.409 -0.175 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)C1 1829661372 XDSWNQPEMKWKQO-MGPUTAFESA-N 391.468 -0.065 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C)CCO2)C1 1834943897 DSRHDNQZCIXQBU-MAUKXSAKSA-N 384.477 -0.195 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC=CO1)CCO2 1837418800 KKSKJKAMTVYTKA-KDOFPFPSSA-N 378.381 -0.777 30 20 GBED N#C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCO1 264439298 ZDNSWCONDYCBFZ-GFCCVEGCSA-N 381.410 -0.123 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCN1CCN(C)CC1 268716644 IXKVAHRCVGIBQS-HNNXBMFYSA-N 393.513 -0.021 30 20 GBED C[C@H](O)C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 270833409 LWOMOVPGEMWHJE-ZDUSSCGKSA-N 394.453 -0.456 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)C1=O 288024103 CHRAWIWAJBQYKZ-HZPDHXFCSA-N 380.489 -0.151 30 20 GBED CCc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)n[nH]1 349469521 AYYMRQXEIXLRKW-UHFFFAOYSA-N 376.464 -0.326 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCn2cncc2C1 349502705 OLUKYIIYEQQEPI-GFCCVEGCSA-N 375.476 -0.408 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)NCC1(C)C 349508839 ZXUJJJDLDTWBHK-LLVKDONJSA-N 380.492 -0.910 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCCCCN2C(=O)NC3(CCCC3)C2=O)CCO1 409520880 TZXXMAXECNJMCM-CYBMUJFWSA-N 399.473 -0.310 30 20 GBED COCCCNC(=O)C1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1 409557273 LKPRQRQIIHMWIC-UHFFFAOYSA-N 390.506 -0.042 30 20 GBED CS(=O)(=O)N1CC[C@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)C1 566327153 PHVUMKKZLLXMSM-AWEZNQCLSA-N 378.458 -0.181 30 20 GBED COC(=O)[C@H]1CN(C)CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 573447266 AFBKMHOVSUNFJO-AWEZNQCLSA-N 394.453 -0.600 30 20 GBED CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 582081232 HFMNFJSYNYGBPL-KGLIPLIRSA-N 378.433 -0.435 30 20 GBED Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(N)=O)c1=O 608911939 WJJITUISHRQXCD-UHFFFAOYSA-N 388.474 -0.453 30 20 GBED N#CCNC(=O)COC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 731236868 QBXCFBFRVMQNBN-UHFFFAOYSA-N 394.409 -0.725 30 20 GBED C[C@H](OC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)N(C)CCC#N 745441491 HBGMNRJBLJFJOW-GHEKHTLGSA-N 377.397 -0.159 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745480252 DBJXUOJYGZSFGG-YQPPGCHHSA-N 379.369 -0.908 30 20 GBED N#CCn1cc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cn1 746366267 SUKQWRLVWHZDJX-UHFFFAOYSA-N 387.444 -0.498 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cscn2)c1=O 758076570 PNUKXRMQBGLZBT-UHFFFAOYSA-N 388.474 -0.345 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)CC1 761032186 GFVCLSHUSNJYRN-HUUCEWRRSA-N 399.517 -0.524 30 20 GBED C#CCN(CC)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 762424918 PAQARQQDGQBSIR-KBPBESRZSA-N 375.429 -0.061 30 20 GBED Cc1cccc2c1OCCC2=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771890008 DDKULGLTSNKYTF-UHFFFAOYSA-N 378.410 -0.142 30 20 GBED C[C@H](OC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)N(C)CCC#N 786369415 XMZDLNRJXRUZJZ-SIJPQNPESA-N 377.397 -0.157 30 20 GBED C#CCCCNC(=O)C(=O)NCc1cccc(S(=O)(=O)NCCOC)c1 806208045 CGUIEOUIWMZADB-UHFFFAOYSA-N 381.454 -0.243 30 20 GBED C[C@H]1NC(=O)N(CCOC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 837319919 OGQFNPVFKYYKPR-SNVBAGLBSA-N 394.409 -0.401 30 20 GBED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cn2nc(C)n(C)c2=O)c1 846838807 GMDTZEUEYYIJQW-UHFFFAOYSA-N 397.435 -0.236 30 20 GBED O=C(CCCCCC(=O)N[C@H]1CCCN(O)C1=O)N[C@H]1CCCN(O)C1=O 848137475 BECCZEMZOVPDAO-STQMWFEESA-N 384.433 -0.070 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 856676614 DZMZYMWLGUVXPM-LBPRGKRZSA-N 395.437 -0.652 30 20 GBED COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 862040405 IQKXISSCKKTNJZ-JQWIXIFHSA-N 377.357 -0.702 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc3nccc(C)n3n2)C[C@@H]1O 970706705 GQDANNBMTLMOGG-MQYQWHSLSA-N 386.412 -0.675 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnon2)C1 990938745 GZNKPRXUJBMAIO-ATGSNQNLSA-N 387.400 -0.176 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1n1ccnn1 990962343 DLGMBYNCRLTVST-UXOAXIEHSA-N 386.416 -0.820 30 20 GBED Cn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2cc(C#N)c[nH]2)c(O)nc1=O 996005267 FDIQKSBDBXAUCM-OSMZGAPFSA-N 382.380 -0.139 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn(C)c(=O)c2)C1 1024525593 BOZJPMLMHAVMEE-HWMZRRJGSA-N 375.425 -0.332 30 20 GBED C=CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1070378446 QSGVOIKTXUMKKE-DLTWYDFYSA-N 378.473 -0.319 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 1117606015 LQNRJYSABVUGFH-HOTGVXAUSA-N 388.424 -0.318 30 20 GBED COc1ccc(NC(=O)[C@H](C#N)C(=O)CN2CCN(S(C)(=O)=O)CC2)cc1 1122415871 QUQKXRHTCLALHN-OAHLLOKOSA-N 394.453 -0.080 30 20 GBED C#CCN1CCC(c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CCOC)CC1 1122426052 BMVUYMSLMAGKEV-MRXNPFEDSA-N 387.488 -0.049 30 20 GBED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCCOC1(C#N)CCOCC1 1263474373 AKLHFAUECMANOH-GFCCVEGCSA-N 386.430 -0.281 30 20 GBED C=CCN(CCOC)C(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 1322605823 UMWFRRBZHYTIFA-UHFFFAOYSA-N 375.491 -0.727 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CC[C@@H]2OCCC[C@@H]2C1 1323420573 NJQUMVCSXLNABO-UIUQPETLSA-N 376.413 -0.344 30 20 GBED CS(=O)(=O)N1CCN(C(=O)C(=O)NCc2cccc(OCC#N)c2)CC1 1323494425 KPFYBKSCRXENGR-UHFFFAOYSA-N 380.426 -0.691 30 20 GBED COCc1noc(CN2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)n1 1323879475 DWYHDFLMCKHLKP-UHFFFAOYSA-N 378.414 -0.011 30 20 GBED N#Cc1ccccc1N1CCCN(C(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 1323885874 RWYDRCSSQQRKLA-NVXWUHKLSA-N 399.451 -0.254 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 1326492006 NKJQMYXZHDSIAH-CQSZACIVSA-N 386.518 -0.459 30 20 GBED CN(C)C(=O)N1CCN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 1329434380 QGULKXMSDVCFEG-UHFFFAOYSA-N 399.455 -0.572 30 20 GBED C=CCn1cc(C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)nn1 1332471763 XTXIJRJXAVWYOF-UHFFFAOYSA-N 379.446 -0.219 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)Cc2nnc3c(=O)[nH]ccn23)CC1 1460726839 VGRARYCAPCHBIO-CQSZACIVSA-N 386.460 -0.458 30 20 GBED N#Cc1cn(CCNC(=O)Cn2ccc(Br)cc2=O)c(=O)nc1O 1557601313 IJHOBDPYIXAIHH-UHFFFAOYSA-N 394.185 -0.439 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)CC 1574954426 LAGCEWZEWRRBIZ-CYBMUJFWSA-N 393.473 -0.025 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[nH]n3)nn2)C1 1588351124 FOGVRHMTXBHNHN-ZFWWWQNUSA-N 381.444 -0.209 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@H]2C(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 1588359218 ZPFGQGUUKRZZLH-WXHSDQCUSA-N 383.412 -0.333 30 20 GBED C#CCOCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)c(C)n2)C[C@@H]1O 1588362313 ZRBSQGFAKBUTES-CABCVRRESA-N 385.428 -0.334 30 20 GBED C=CCCOCC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588615728 FSKYGGAZYYVGEL-GFCCVEGCSA-N 389.416 -0.255 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)c(C)n2)C[C@H]1O 1588723533 OUKJQXQLYOFOIL-TUVASFSCSA-N 385.428 -0.173 30 20 GBED CCN(CCC#N)S(=O)(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)O)C2)C1 1596300378 YCCPNCZVFDFYFY-LXVYMNJGSA-N 393.487 -0.133 30 20 GBED CN(C)CCC[C@@H]1CN(C(=O)C(=O)N2CCC(C#N)(C(=O)O)CC2)CCO1 1598216357 ARBUIQCSVSFTCI-CQSZACIVSA-N 380.445 -0.227 30 20 GBED N#CCN(CC(=O)O)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 1601069454 LWJKWZQOCDZLGF-UHFFFAOYSA-N 397.409 -0.047 30 20 GBED N#Cc1ccc(N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H](O)C2)cn1 1606368642 ACQPBKDREBXEMT-DZGCQCFKSA-N 379.384 -0.169 30 20 GBED C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CN(C)CCN1C 1610938834 YYJYOXFOPWYPTG-CJNGLKHVSA-N 379.486 -0.413 30 20 GBED N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1 1656442827 RTEMLOAJKWAVNO-GHMZBOCLSA-N 395.256 -0.243 30 20 GBED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)C1CC1 1723621320 MSLBJTJPHPPUSS-ZDUSSCGKSA-N 375.433 -0.329 30 20 GBED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)CNC(N)=O)CCO3)C2)c1 1781969813 OLSQBIBLIZIWRY-SFHVURJKSA-N 389.387 -0.191 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784115297 AKKFCRQQIMAKBR-IFXJQAMLSA-N 375.425 -0.047 30 20 GBED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790911864 RCGQXYFVJBDZGG-BZSNNMDCSA-N 395.500 -0.944 30 20 GBED CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2)C(=O)O 1795639394 HYQKEVFEXIVPQC-AXVVYFOYSA-N 399.447 -0.310 30 20 GBED CN1CCN(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)CC1 1795886541 IMUQSTYTOBRCPW-MUJYYYPQSA-N 376.457 -0.650 30 20 GBED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1810278246 CMNDAUCUBALTLY-LZZBOQINSA-N 389.456 -0.130 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1834760479 FBHFJOLMNITQQO-GOSISDBHSA-N 389.412 -0.351 30 20 GBED COC(OC)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1836790314 BYAZQKPLYISJQL-UHFFFAOYSA-N 382.413 -0.308 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838102056 VIPLFNVBPAEPNJ-UGSOOPFHSA-N 393.396 -0.512 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1839840800 MIFSGQBBPRDWLJ-QAPCUYQASA-N 377.445 -0.053 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1840176193 ZATUGZQHHUBZFW-GOSISDBHSA-N 376.413 -0.112 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1840410161 YHSIMWAGAZTVOX-SFHVURJKSA-N 376.413 -0.112 30 20 GBED O=C(C#Cc1ccccc1)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842873577 PZOPDMYZBOUXBW-UHFFFAOYSA-N 391.364 -0.034 30 20 GBED CS(=O)(=O)CCNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 284182221 VDAFVOAVZCHDNJ-UHFFFAOYSA-N 378.454 -0.637 30 20 GBED CN1C(=O)CC[C@@H](/N=C(/O)N2CC[C@H](NS(C)(=O)=O)C2)[C@@H]1c1ccnn1C 329509320 XETJPLHRXWLFSX-YWPYICTPSA-N 398.489 -0.381 30 20 GBED C[C@H]1CN(C(=O)Cn2cc(N=C(O)N3CCO[C@@H](CO)C3)cn2)C[C@@H](C)O1 330284962 YEKDGRHPKUSQSM-VNHYZAJKSA-N 381.433 -0.243 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC(C)(C)[C@@H]2COC[C@@H]21 349473635 YKJWDNDVGXKZQS-OLZOCXBDSA-N 379.504 -0.152 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCCO2)n1 349604288 ONWHVDDEILROFZ-GFCCVEGCSA-N 391.475 -0.478 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(CC)[C@@H](c3ncc[nH]3)C2)C1=O 410882536 IWDOAJYDGIVLEE-LSDHHAIUSA-N 388.472 -0.140 30 20 GBED CCN(C(=O)CN(CCC#N)CCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 531143108 UUYHGDFODJMDQC-INIZCTEOSA-N 386.518 -0.430 30 20 GBED COCC(=O)N1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 538078245 QRCKTAVAFKKDJD-UHFFFAOYSA-N 376.417 -0.235 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(=O)n(C)c1 543805299 LIUVVGKDGLHJPI-LBPRGKRZSA-N 381.396 -0.277 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(CCCOC)CC2)C1=O 569497907 VCAGLMGOIDYHQI-MRXNPFEDSA-N 380.489 -0.151 30 20 GBED CC(C)N=c1[nH]c(N2CCN(c3cnccc3C#N)CC2)nc(=NCCO)[nH]1 577692914 IJGCSGPYMCTBGP-UHFFFAOYSA-N 383.460 -0.467 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)CC[S@](=O)C1 579613695 ZQNQUMYDHDUWPW-IPQOISQHSA-N 399.560 -0.372 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 588765487 QGTIAOUOYXJNLD-CYBMUJFWSA-N 396.455 0.045 30 20 GBED C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 594627421 ZBDWQJPDTALNSP-CHNSCGDPSA-N 379.485 -0.466 30 20 GBED N#CCc1ccc(OC[C@H](O)CN2CCC[C@H](CNS(N)(=O)=O)C2)cc1 610091290 DSGMTQXRYXGQSI-HZPDHXFCSA-N 382.486 -0.003 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCC[C@@H]2CC(=O)OC)c1=O 726588307 NJCXZSPXIFPTPZ-CQSZACIVSA-N 378.429 -0.081 30 20 GBED CC(CS(C)(=O)=O)=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 732528088 RASPENDKZAZRBM-UHFFFAOYSA-N 389.503 -0.150 30 20 GBED CCOCCCNC(=O)[C@@H](C#N)C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744024496 YPZGFHDLFRWZNI-BPKBQXTESA-N 391.424 -0.209 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cccc(CN3CCN(C)CC3)c2)CC1 746216152 UURAHZHXKQFLSM-UHFFFAOYSA-N 397.523 -0.059 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1CN1C(=O)NC2(CCOCC2)C1=O 756876430 NLCXGFSZRRCWNH-CYBMUJFWSA-N 385.428 -0.083 30 20 GBED Cn1cc(S(=O)(=O)NN=C2C(=O)Nc3ccc(Cl)cc32)c(=O)n(C)c1=O 771898165 VPYFHGVKCLQZIL-UHFFFAOYSA-N 397.800 -0.628 30 20 GBED Cc1nn(C)c(N2CCN(S(=O)(=O)CCS(C)(=O)=O)CC2)c1C#N 788076365 BOECQFCJIUWMGW-UHFFFAOYSA-N 375.476 -0.903 30 20 GBED C#Cc1cncc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 798281422 LGUFDICHULFLLB-OAHLLOKOSA-N 397.478 -0.662 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3nnc(S)n3c2)CC1 831574459 HNOBJJLHRGYLCY-UHFFFAOYSA-N 380.455 -0.757 30 20 GBED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(CC#N)CC(=O)O)CC1 833023038 QQZJOLGRJYYSTE-UHFFFAOYSA-N 399.429 -0.965 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ccc(O)nn1)C(C)C 848963587 WCGQYAROUUGNSW-NSHDSACASA-N 376.460 -0.109 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccco2)N(C)C)CC1 891500891 XPPDYLDXFZBPQG-AWEZNQCLSA-N 383.474 -0.323 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1OC 946818317 DIHGEEVLJUQNDN-DMRZNYOFSA-N 375.425 -0.068 30 20 GBED C=CCn1cc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)C[C@@H]32)nn1 960403248 DILOMXGNTZDMPZ-VXNIMSTFSA-N 399.451 -0.061 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(CCOC)no2)C[C@H]1O 1077018802 BXXMTKXBMDDCRK-TUVASFSCSA-N 380.445 -0.099 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)Nc2nncs2)C[C@@H]1O 1083853065 AGXGUZAIQDQMSJ-OPDFLTKYSA-N 381.458 -0.381 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1COCCN1CCCC 1109560462 BAYZUAPFAAOLQT-VSZNYVQBSA-N 376.501 -0.042 30 20 GBED CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(=O)NCc2cccc(OCC#N)c2)O1 1323495345 RFIOKZARCJUNJR-HZPDHXFCSA-N 388.424 -0.043 30 20 GBED CN(CC(C)(C)C#N)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1324984758 QQABOEQDCHJWCK-UHFFFAOYSA-N 376.417 -0.311 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](C#N)C3)C2=O)cc1 1327107747 LFCPGTQDYPTCHP-JKSUJKDBSA-N 381.392 -0.474 30 20 GBED C#CCNC(=O)C1CCN(C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 1327166515 CKZPZOIWTFYEEI-SRABZTEZSA-N 387.436 -0.473 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2cccs2)N2CCOCC2)CCO1 1327284729 RJVKQRNTXVJUOQ-ZIAGYGMSSA-N 378.454 -0.011 30 20 GBED CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)NCc2ccc(OCC#N)cc2)C1 1327507390 MANRFBSVRWXDFX-CYBMUJFWSA-N 380.426 -0.645 30 20 GBED Cc1cc2ncc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)c(C)n2n1 1341786733 HZIVTFBWFOFSCD-GFCCVEGCSA-N 375.410 -0.074 30 20 GBED C#CCNC(=O)CN1CC[C@]2(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCC[C@H]12 1573286148 UVEZRBRKIFRYGW-KBXCAEBGSA-N 382.428 -0.329 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@H](CNc3cncc(-c4nn[nH]n4)n3)C2)c1 1581862183 QFYMBGCBBCLRJO-LLVKDONJSA-N 380.372 -0.190 30 20 GBED C#CCN(C)c1cnc(-c2noc([C@@H](C)n3cnc(-c4nn[nH]n4)n3)n2)cn1 1588349191 HEQATIMDJSKMPR-SECBINFHSA-N 378.360 -0.023 30 20 GBED C#CC1(O)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 1602690270 AHURUDWIUFXIDC-ZDUSSCGKSA-N 395.379 -0.722 30 20 GBED C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)[C@H](CC(=O)O)C1 1602710800 PHJDLOFIIOHTLC-BFHYXJOUSA-N 396.469 -0.135 30 20 GBED N#Cc1cn(CC(=O)N[C@@H]2CCc3ncc(Br)n3C2)c(=O)nc1O 1653640281 UFKWPDZRFUIHRT-SECBINFHSA-N 393.201 -0.089 30 20 GBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778165820 FJWFZNNCAMMYMB-HXUWFJFHSA-N 382.420 -0.197 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1778563642 BBAOSKXFCRICKP-IBGZPJMESA-N 386.408 -0.249 30 20 GBED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1779074457 BNCWBJKAVHZIKS-QAPCUYQASA-N 382.413 -0.113 30 20 GBED C[C@H](C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)N1CCN(C)CC1 1781094601 JZAAGESLMIKYNC-UZLBHIALSA-N 389.500 -0.244 30 20 GBED Cc1nc(N)sc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791076092 MEHBDTOHOBBLOP-SRVKXCTJSA-N 392.437 -0.285 30 20 GBED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)n1cccc1C=O 1795751991 BPFAYSIVQGZVGJ-FLTUCWPJSA-N 387.392 -0.461 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@H](N)C(N)=O 1796078008 YYOYUSBNHHSUPG-XFBNVBTNSA-N 391.472 -0.924 30 20 GBED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2)[C@@H]1SC(=N)NC1=O 1796423360 IQHGVPQIRFJLDS-ZCURGHERSA-N 393.469 -0.318 30 20 GBED O=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)=NN1 1797681911 HYGYJDCUUBZEAM-DJXZEJORSA-N 387.396 -0.836 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2 1797708057 AWVIVDGQNVVMTF-FQLMCAECSA-N 377.445 -0.559 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CC)CCO2 1830527075 ZPMIVUYOLJESHV-HNAYVOBHSA-N 398.456 -0.277 30 20 GBED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CNC(=O)C2)CC1 1831421501 YZPXHKCBBREFJY-CABCVRRESA-N 375.425 -0.170 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1831616247 STXAENPIXWXINE-BEFAXECRSA-N 379.457 -0.242 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csnn3)CCO2)C1 1831743058 DYXZLFIMOJOZBO-DYVFJYSZSA-N 394.453 -0.354 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833224549 AGQVIVQDBYMAOV-YOEHRIQHSA-N 397.501 -0.161 30 20 GBED C[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)n1ccnn1 1835346824 WBUIDAOTVFRRTE-KBXCAEBGSA-N 388.428 -0.401 30 20 GBED N=C(N)SCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1835643441 CUPMFFHQVNGVOB-SFHVURJKSA-N 394.497 -0.127 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(OC)c1F)CCO2 1836240016 XSPGKVNSIHVTQP-SFHVURJKSA-N 377.372 -0.068 30 20 GBED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1837695245 WNTMBQULKOWISQ-LIRRHRJNSA-N 390.440 -0.563 30 20 GBED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839881640 DUSLUJJSNDGDLB-AUUYWEPGSA-N 392.456 -0.339 30 20 GBED O=C1NC[C@@H](C(=O)N2CCCC23CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)O1 1841648885 DJRCYAAHGHPUOA-WKXBTIRCSA-N 380.401 -0.173 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2nccnc2C(N)=O)C1 1844594536 GTLBONIENOXHGE-PLNGDYQASA-N 398.423 -0.749 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C\C(=O)NC1CC1 1847262555 VKCBKOSIIGELQE-MFXSAKOXSA-N 386.452 -0.119 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 12268332 GDVCAKPPRNHRKW-UHFFFAOYSA-N 397.409 -0.278 30 20 GBED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(c2ccccc2C#N)CC1 101554863 BOZYUGIFOGKJTH-ZDUSSCGKSA-N 396.451 -0.069 30 20 GBED Cn1cnc2c1c(=O)n(CC(=O)N(CCC#N)Cc1ccccn1)c(=O)n2C 264135418 ZIWMEHMSNMJZPK-UHFFFAOYSA-N 381.396 -0.229 30 20 GBED COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN3CCO[C@H](C#N)C3)C2=O)c1 265101393 XSCQQFKCVZIEHK-KDOFPFPSSA-N 387.396 -0.282 30 20 GBED N#CCCN(Cc1ccco1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 266180695 VAZJOGWONIPMRV-UHFFFAOYSA-N 379.398 -0.073 30 20 GBED N#Cc1ccccc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 275550252 NKCVNKHQYNXPCC-ZIAGYGMSSA-N 385.467 -0.666 30 20 GBED C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 282216990 IIVOYAJOUKVLNQ-UHFFFAOYSA-N 399.455 -0.033 30 20 GBED CCC(=O)N1CC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 288062350 FLBXFHNVJGTSQP-HNNXBMFYSA-N 384.440 -0.271 30 20 GBED COC[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCCO1 289800106 RDPIJTJZJDRYIB-CVEARBPZSA-N 387.440 -0.088 30 20 GBED C=C[C@H](CO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 292652796 LCBKJUVWVLVSHD-MDZLAQPJSA-N 385.398 -0.618 30 20 GBED C[C@@H](O)CN(C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@H](C)CO 297616397 BRVWCMSTBHJAFZ-ZIAGYGMSSA-N 375.429 -0.808 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(/C(O)=N/[C@@H]3CCSC3)CC2)CC1 329769709 IAVLXNOZNUANPT-CYBMUJFWSA-N 377.536 -0.484 30 20 GBED CCS(=O)(=O)N1CCN(/C(O)=N/[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 329799018 GXNUZGZXCVDILA-CYBMUJFWSA-N 398.489 -0.203 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@H]2C#N)C[C@@H]1O 349526879 QLIXZHLGCMAQFX-UPJWGTAASA-N 397.544 -0.710 30 20 GBED C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)CCCCS(=O)(=O)NC1(C#N)CC1 349605259 URWFAPKUKBKDGQ-GFCCVEGCSA-N 392.503 -0.766 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 374445959 DXLRTYSGPBFISZ-GFCCVEGCSA-N 386.434 -0.582 30 20 GBED N#CCc1ccc(NC(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2)c(Cl)c1 411645238 SNBCLCFINHTSKC-UHFFFAOYSA-N 377.788 -0.499 30 20 GBED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 440302625 KQFOXQIHGVKNKZ-LLVKDONJSA-N 384.371 0.511 30 20 GBED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cscn2)c1=O 497573388 SSAKJCHDYLLCMB-UHFFFAOYSA-N 376.463 -0.182 30 20 GBED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccnn2C)c1=O 502008757 YVZILWCBESDDNR-LBPRGKRZSA-N 389.481 -0.293 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCCS(N)(=O)=O 504225182 DESRYRFPHMZSGU-NSHDSACASA-N 388.471 -0.590 30 20 GBED CN(CCO)S(=O)(=O)c1ccc(S(=O)(=O)Nc2nn(C)cc2C#N)cc1 564666528 DUTVNTKKJSXRMG-UHFFFAOYSA-N 399.454 -0.295 30 20 GBED CN(CCC#N)C[C@@H](O)CNCCC(=O)N1CCN(c2ncccn2)CC1 569837014 FYKRSTGFVZHQAN-INIZCTEOSA-N 375.477 -0.689 30 20 GBED CS(=O)(=O)N1CCN(CCNC[C@@H](O)COc2ccc(C#N)cc2)CC1 591729150 BASSXXUHRBTRBU-MRXNPFEDSA-N 382.486 -0.535 30 20 GBED COC(=O)Cc1n[nH]c(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n1 609834504 DSOJKYIFCSOBIR-UHFFFAOYSA-N 392.397 -0.036 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN([C@H]3CCC[C@@H]3O)CC2)C1=O 673584935 LYKSWZWSEXCJBX-ULQDDVLXSA-N 392.500 -0.274 30 20 GBED C[C@H]1CCCN(C(=O)C(=O)NCC#CCNC(=O)C(=O)N2CCC[C@@H](C)C2)C1 683499637 JAFSWSHYRUPBIK-IYBDPMFKSA-N 390.484 -0.261 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCc2ccc(F)cc2)C1=O 726043787 RTBQFQHLNBGQDZ-UHFFFAOYSA-N 377.328 -0.038 30 20 GBED C[C@@H]1NC(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)=NN(c2ccccc2)C1=O 731888628 XTCGGZUEXJMXBL-FUYOWACXSA-N 396.407 -0.033 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(OCCOC)CC2)c1=O 735070899 OSIOZBIGHRYDAV-UHFFFAOYSA-N 380.445 -0.371 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CC=CC[C@H]1C(=O)O[C@H](C)C(=O)NCC#C 754257076 DQTFVZRSFVTWGQ-GEEKYZPCSA-N 388.420 -0.069 30 20 GBED N#Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)c(F)c1 771210311 ZQCQZSHXJSNZIV-UHFFFAOYSA-N 384.389 -0.586 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 784974170 YVJWQAPFMVCQSI-OAHLLOKOSA-N 393.415 -0.072 30 20 GBED COC[C@]1(C)NC(=O)N(CN2CCN(c3c(C#N)c(C)nn3C)CC2)C1=O 788043596 FYTNKQPGTMFPMO-KRWDZBQOSA-N 375.433 -0.363 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N(C)[C@@H]1CC(C)(C)OC1=O 848958243 WQBOLQVDJZUOGJ-WDEREUQCSA-N 381.476 -0.436 30 20 GBED N#C[C@@H]1CN(C(=O)C(F)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCN1C1CC1 865737703 CDCQZQKWUBORKD-HZPDHXFCSA-N 388.447 -0.278 30 20 GBED CN(CCN1CCOCC1)C(=O)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 867437208 OJQSJQXUGCQQGD-UHFFFAOYSA-N 385.468 -0.003 30 20 GBED CN(C)CC#CCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 913521273 RRXQZVPDUDCBOQ-ZBFHGGJFSA-N 383.445 -0.369 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCc3ccccc3C2)CC1 919218458 JHSRVZDDZWERRU-QGZVFWFLSA-N 397.522 -0.041 30 20 GBED C#CCN1CCC[C@H](NC(=O)CC(O)CC(=O)N[C@H]2CCCN(CC#C)C2)C1 923561315 XRIYWYDHQPPDGF-ROUUACIJSA-N 388.512 -0.445 30 20 GBED O=C(CN1CCS(=O)(=O)CC1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 996525278 MCFBACCCYVHLAS-PMPSAXMXSA-N 379.482 -0.622 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 1057962167 KXZXRAPIULHQEN-XLAORIBOSA-N 377.485 -0.164 30 20 GBED N#Cc1ccccc1CN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1n1ccnn1 1070275475 OGRAMRBZYSAALR-TWMKSMIVSA-N 379.424 -0.187 30 20 GBED CS(=O)(=O)N1CC(CNC(=O)C(=O)NCc2ccc(C#N)c(Cl)c2)C1 1117732781 RMIFTRWUTQKBLO-UHFFFAOYSA-N 384.845 -0.165 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)C1 1118189455 PNWYQDWVYQWIIQ-QGZVFWFLSA-N 398.485 -0.720 30 20 GBED C#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 1128999413 XSDHJNVIVGODSI-MLHJIOFPSA-N 393.451 -0.432 30 20 GBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C[C@H]1C 1215525217 HHINOFDLBJAEBU-VQHPVUNQSA-N 392.500 -0.105 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@]12COC[C@@H]1C2 1217954378 OMCUNOPIJNAIBN-GGXPGOJBSA-N 376.457 -0.303 30 20 GBED COCCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C1CCOCC1 1320251236 GBAWSIFKZYSYFA-UHFFFAOYSA-N 388.446 -0.819 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(OCCS(C)(=O)=O)cc1 1333322059 UTFLQNABOPTAIZ-AWEZNQCLSA-N 382.438 -0.061 30 20 GBED C=CCn1c(CN2CCCC2=O)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 1341938351 JVCMCXGBPFKKDM-UHFFFAOYSA-N 397.505 -0.485 30 20 GBED C[C@H](C#N)C(=O)N(C)CCN1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1530113265 QJAPQGYSMRBCNU-LTIDMASMSA-N 378.473 -0.200 30 20 GBED C[C@@H](C#N)C(=O)N1CC[C@]2(CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCO2)C1 1573567425 MYFPLAOBCJGIFM-APPDUMDISA-N 384.400 -0.202 30 20 GBED C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1573575550 YWOFTRKKXQDIIQ-NSHDSACASA-N 385.432 -0.335 30 20 GBED N#Cc1ncc(N2CCc3c(cccc3S(N)(=O)=O)C2)nc1-c1nn[nH]n1 1581882806 ICKWIGSGZQAVHG-UHFFFAOYSA-N 383.397 -0.262 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)cn1 1588407193 ZYDBGYWKCIOMLK-ZIAGYGMSSA-N 388.432 -0.378 30 20 GBED C=CCC1(C(=O)NC[C@@H](O)CNc2cncc(-c3nn[nH]n3)n2)CCOCC1 1588553358 MKJBQGJHFPRZQO-LBPRGKRZSA-N 388.432 -0.081 30 20 GBED C=CCn1cc(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2C)nn1 1602882247 DRJCOMOQQBXTEB-VXGBXAGGSA-N 395.431 -0.064 30 20 GBED CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1604719717 HOIZHYKFJIEDNZ-IAGOWNOFSA-N 399.455 -0.300 30 20 GBED N#Cc1cc(F)cc(S(=O)(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)O)c1 1608197157 ROODOMWGBAIMCB-JQWIXIFHSA-N 396.356 -0.535 30 20 GBED CC(=O)N(CC(=O)O)C[C@H]1CN(S(=O)(=O)c2ccnc(C#N)c2)CCO1 1776201203 WCNQZLSZVUQVAW-ZDUSSCGKSA-N 382.398 -0.724 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1778966916 IAMCKVLIHVXFSJ-FZKQIMNGSA-N 377.445 -0.168 30 20 GBED COC(=O)C12CC(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)(C1)C2 1783446043 GORIOAXTMHZMMF-ACBHZAAOSA-N 390.392 -0.752 30 20 GBED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1783886215 NXPRPAOMKCNXGU-NHYWBVRUSA-N 383.430 -0.061 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)C3CC(=O)C3)C2)C1 1785404095 WIUJKYYQOXQLQZ-LLHWWHOWSA-N 375.425 -0.346 30 20 GBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=S)NCC)[C@H]2C1 1790572289 QQHPTEQFWLUOEC-KKUMJFAQSA-N 380.514 -0.137 30 20 GBED CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)S)[C@H]2C1 1791264525 QWBSRSAJUMUDAF-CYDGBPFRSA-N 388.559 -0.232 30 20 GBED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1792630077 NNNVVCPLMVTJCH-GNXNZQSNSA-N 399.411 -0.829 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N(C)C(C)=O 1796452241 YYKXHWGAKBWFBD-AYIQCDPPSA-N 379.457 -0.519 30 20 GBED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](COC)NC(C)=O)C1 1797966344 MPOLCKVYFTWTDU-YVSFHVDLSA-N 379.457 -0.307 30 20 GBED CN(CC(=O)NC[C@H]1CCN(C(=O)CC#N)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812389381 CVOBGOBLFFEZCR-CZUORRHYSA-N 387.396 -0.456 30 20 GBED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](N)CN)[nH]n1 1814437036 CTNLIMMPUTWXAA-SLBFPRPFSA-N 389.460 -0.454 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1831434003 PJARXWOASNOJMN-HNAYVOBHSA-N 397.472 -0.440 30 20 GBED COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1835248143 JRDWWXHBOGEHJH-CJNGLKHVSA-N 376.475 -0.576 30 20 GBED CNCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1835662919 AMBVWERGTPOTJX-IBGZPJMESA-N 389.456 -0.044 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1839227635 IBKGMOFIKQIYNQ-KSSFIOAISA-N 398.460 -0.491 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840360292 XTJYOMVMGBPXTI-CZUORRHYSA-N 383.474 -0.557 30 20 GBED NC(=O)[C@H](N)CCC(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844258703 JOEYTRNKAAQXEB-VPNURPJOSA-N 378.477 -0.746 30 20 GBED COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 264493047 WTMBGRBVTAEMFD-LLVKDONJSA-N 396.425 -0.365 30 20 GBED N#C[C@H]1COCCN1CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 266853637 FWNRZDVPPQZQBZ-HNNXBMFYSA-N 394.453 -0.130 30 20 GBED N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 267116404 YZDZSQAUUSDRAC-AWEZNQCLSA-N 386.499 -0.163 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)N1C[C@@H](C(=O)NCCC)Oc2ccccc21 272099989 YUZKDUVBZYYRLS-HNNXBMFYSA-N 388.424 -0.275 30 20 GBED C[C@@H]1CCS(=O)(=O)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 290455953 OZZHORPHLUIIKT-GFCCVEGCSA-N 385.467 -0.128 30 20 GBED CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1nc(N(C)C)n[nH]1 348355696 USCVWIDBENWPNF-UHFFFAOYSA-N 378.480 -0.713 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1CO 349522913 XBCUXYSCBAREEM-CHWSQXEVSA-N 397.544 -0.566 30 20 GBED C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)CC#N)c2nccn21 349536667 NZJWDIDQFIXMEF-VXGBXAGGSA-N 375.476 -0.016 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O 349610456 JUVSLGSCRFNJHY-CTTWBBHYSA-N 391.515 -0.371 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)C1=O 363208734 FKXYINZRJCBTEJ-UHFFFAOYSA-N 392.412 -0.939 30 20 GBED C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 364107948 IQNIFLGGGIWANT-LBPRGKRZSA-N 397.395 -0.871 30 20 GBED COCCCS(=O)(=O)N1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 409504072 XJULQSHQMXNMQF-CYBMUJFWSA-N 382.508 -0.693 30 20 GBED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCN1CCNCC1 419870650 PCGUQJZAEDLNNW-UHFFFAOYSA-N 386.500 -0.530 30 20 GBED C=CCNc1ncc(C(=O)N[C@@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)s1 433236019 PJLCTPNCTJOKPT-QWRGUYRKSA-N 386.499 0.410 30 20 GBED C=C[C@@H]1OCC[C@H]1N=c1[nH]c(=NCCOC)[nH]c(=N[C@@H]2CCO[C@H]2C=C)[nH]1 450753761 GBJCBAAXDZFHMF-KBXIAJHMSA-N 376.461 -0.294 30 20 GBED C[C@H](C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1)c1cccc(C#N)c1 462037722 JQMDZYPISDZYMI-JQFCIGGWSA-N 377.466 -0.036 30 20 GBED CC[C@@H](C(=O)OC)N1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1 511254879 ZZGUFSCMMIYXKO-AWEZNQCLSA-N 376.479 -0.338 30 20 GBED N#CC1(NS(=O)(=O)c2cccc(S(=O)(=O)NC[C@H]3CNC(=O)C3)c2)CC1 569988978 SMEKKBILWXALHN-LLVKDONJSA-N 398.466 -0.565 30 20 GBED CN(C[C@@H]1COCCO1)S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 595958606 FNXIKELKVYEKRA-GFCCVEGCSA-N 389.455 -0.476 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)C1=O 610441723 NJVOPWDTSOJVLC-NSHDSACASA-N 381.385 -0.468 30 20 GBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)NC(=O)NC2CCCCC2)CC1 728573628 SNSHDJAXSGGMAE-OAHLLOKOSA-N 377.489 -0.100 30 20 GBED NC(=O)CNC(=S)NN=Cc1c(N2CCCCC2)nc2ccccn2c1=O 731930273 UEKKDWCJGMWLHJ-UHFFFAOYSA-N 387.469 -0.032 30 20 GBED COC(=O)c1cncc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 788623773 XGEMTXIDOHWYKP-YPKPFQOOSA-N 380.382 -0.327 30 20 GBED Cn1c(=O)c2cc(C(=O)NS(=O)(=O)CC(C)(C)C#N)n(C)c2n(C)c1=O 789467869 DJFBTUKHKIDAAC-UHFFFAOYSA-N 381.414 -0.815 30 20 GBED N#CC(C#N)=c1sc(=Cc2c[nH]c(C(=O)O)c2)c(=O)n1CCN1CCOCC1 833064820 WMTVWDWJNYVRLW-UHFFFAOYSA-N 399.432 -0.705 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1CCCNC(=O)C1 848960104 ZYYKMJNXYJXQMY-UHFFFAOYSA-N 380.492 -0.908 30 20 GBED Cc1ncc2c(n1)CCC[C@H]2NS(=O)(=O)CCCS(=O)(=O)NCC#N 848966756 ZRGKFOLGUDKMBF-CQSZACIVSA-N 387.487 -0.085 30 20 GBED CN(CCC#N)S(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)O 849232488 NRAHWVZLEOLVFH-BDAKNGLRSA-N 386.352 -0.327 30 20 GBED C#CC[C@@H](CCOC)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 863786227 VNTHPZUDNVIKSG-JSGCOSHPSA-N 381.454 -0.003 30 20 GBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C[C@@H]2NC(=O)NC2=O)c1 997763497 VFSZYWBALJGXIK-QPSCCSFWSA-N 381.392 -0.477 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1043256735 HFSGPDXEXWDEOK-TUVASFSCSA-N 379.457 -0.428 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1O 1077823151 YJVNNUMVQLARPH-NHIYQJMISA-N 380.445 -0.929 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnc2c(c1)nnn2C 1110826505 OMOATFZOLXEPAQ-DCDXPUDHSA-N 381.440 -0.164 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2cccc(-n3cncn3)c2)CC1 1117347287 LVIPEWQXIGMAOG-UHFFFAOYSA-N 394.435 -0.129 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)CCN1C1CC1 1261849632 LKJRXJRNXIAYIG-IRXDYDNUSA-N 375.473 -0.492 30 20 GBED CS(=O)(=O)CC[C@H]1NC(=O)N(C[C@H](O)COc2ccc(C#N)cc2)C1=O 1317726091 RIURCEFRRVUEKQ-GXTWGEPZSA-N 381.410 -0.347 30 20 GBED C[C@](C#N)(NC(=O)COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CC1 1321601084 KFHJDNJYVCGMFA-BTJLNZGRSA-N 397.453 -0.626 30 20 GBED CNC(=O)CCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1327076677 CCMQWSFPHGLWGS-OAHLLOKOSA-N 385.424 -0.582 30 20 GBED C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)CC1 1327168291 OSTGSJYXWJYFPA-KUHUBIRLSA-N 389.456 -0.122 30 20 GBED COCCN(CCNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)C(=O)OC(C)(C)C 1329364624 KVJHZNOHEYZTFH-SFHVURJKSA-N 398.460 -0.137 30 20 GBED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCN(C)C1 1541803580 JPEQSMOHODSKKH-KEYYUXOJSA-N 396.517 -0.015 30 20 GBED C#CCNC(=O)CNCC[C@@H]1CCCN(C(=O)[C@@H](C)OCc2cnn[nH]2)C1 1575004700 JIVJFQYCVIZJRT-CABCVRRESA-N 376.461 -0.323 30 20 GBED C[C@H](NC(=O)C#CC1CC1)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1575247022 HRTIXBCOLRDXHS-NHYWBVRUSA-N 383.412 -0.046 30 20 GBED CC(C)C#CC(=O)N1C[C@H]2C[C@H](NC(=O)CC(=O)NCc3cnn[nH]3)C[C@H]1C2 1575318212 IECZLWVBAQGUGL-OFQRWUPVSA-N 386.456 -0.034 30 20 GBED C[C@H](OCc1cnn[nH]1)C(=O)N1CCOC[C@H]1CNC(=O)CSCC#N 1575830743 VVAQNSWXXIZXAT-WCQYABFASA-N 382.446 -0.690 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588352917 AHCQWQUBHPQTRH-ZGFBFQLVSA-N 382.428 -0.332 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CC(=O)O)c2)CC1 1588431630 RIKUDUVNRWAUII-UHFFFAOYSA-N 380.426 -0.069 30 20 GBED Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)COC(=O)[C@@H](C)CC#N)CC2)o1 1592337215 PZMBTKCEWORQJF-JTQLQIEISA-N 388.388 -0.095 30 20 GBED C#CCN(CC#C)c1nnc(-c2c[nH]nc2-c2nn[nH]n2)n1C[C@H]1CCOC1 1602720593 YHKNATAKLAUHSD-GFCCVEGCSA-N 378.400 -0.042 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CC[C@@](F)(C#N)C1 1609125795 QBCJKYGNBOBMED-ZUZCIYMTSA-N 393.404 -0.002 30 20 GBED N#Cc1cn(CC(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)c(=O)nc1O 1635513863 LQNKADMJLXRKMU-UHFFFAOYSA-N 387.318 -0.262 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779096518 NUEPXTJCUMUKLX-IEBWSBKVSA-N 379.457 -0.730 30 20 GBED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783886362 PAQLYXZRKAPGBT-JMSVASOKSA-N 393.531 -0.538 30 20 GBED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3nc4ncccn4n3)CCO2)C1 1783895592 YAZSSQSSSFNZRS-BDJLRTHQSA-N 376.442 -0.114 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784382955 IVDGIIBVYFOOSG-VGWMRTNUSA-N 376.457 -0.174 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1 1784576151 WAQXQPPEAZXIOX-YTFOTSKYSA-N 381.429 -0.334 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CNC(=O)C4)C[C@@H]32)c1 1789346340 NIBCNKBNQMNVHX-FQLMCAECSA-N 385.424 -0.384 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(N)=O 1796318247 VLPAVEVLOXRPRC-UXXRCYHCSA-N 380.445 -0.939 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2cccnc2n1 1797389069 PQAMZFNJBJMVTN-DRXBFXEBSA-N 383.364 -0.980 30 20 GBED CCc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)s1 1797962422 TULHAHGEZPUXIW-QHBPRCKVSA-N 377.422 -0.003 30 20 GBED CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1800530941 BVMKBFXNIRLCTH-DMRZNYOFSA-N 393.488 -0.618 30 20 GBED COc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c(F)c1 1800773313 JZIDQEQZHSOZDK-CULMDFNYSA-N 391.355 -0.480 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)C2)[C@H]1c1cccnc1 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-0.250 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)C1=O 281427784 KWQLZCYCSLSCEG-CQSZACIVSA-N 387.375 -0.015 30 20 GBED COCCN(C)CCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 285886099 IZMGANASYRKBCI-SFHVURJKSA-N 387.484 -0.083 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 286763550 UILZRNNWMGQWHW-MRXNPFEDSA-N 378.473 -0.397 30 20 GBED Cn1c(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c(C#N)c(=O)n(C)c1=O 294278660 XOFGZQGQXJQTMF-UHFFFAOYSA-N 398.379 -0.174 30 20 GBED C[C@H](O)C[C@@H]1COCCN1/C(O)=N/CCS(=O)(=O)N1CCSCC1 329876574 IENPDTDETYVHKU-QWHCGFSZSA-N 381.520 -0.249 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCC(=O)N[C@@H]2CCOc3ccccc32)CCO1 409791662 AVQDFIQJYFFXNS-TZMCWYRMSA-N 380.426 -0.315 30 20 GBED N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cc1 472507412 WPGGCSNBXMZEHX-HNNXBMFYSA-N 399.436 -0.108 30 20 GBED COCCN(C)CCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 491360118 MWRUVBMEGYDYDM-UHFFFAOYSA-N 385.428 -0.169 30 20 GBED CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 502288571 BCZFOCFFPFLBRE-JKSUJKDBSA-N 387.440 -0.088 30 20 GBED CC(C)N(C)C(=O)C1CCN(C(=O)Cn2c(=O)c(C#N)cn(C)c2=O)CC1 536501113 DZYHQPONAJBIKL-UHFFFAOYSA-N 375.429 -0.476 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)C2=O)cc1 546851718 ZZEKFCGTRVVATK-CABCVRRESA-N 396.407 -0.001 30 20 GBED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCc3nnc(N)cc3C2)n1 561405852 IMKPBRGHJLKPRT-UHFFFAOYSA-N 389.379 0.035 30 20 GBED CC(=O)NCCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 577912639 DOYMLEWHHQFAIP-MRXNPFEDSA-N 385.424 -0.582 30 20 GBED CC(C)(O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 582251904 NCKGWLRSDJGZEH-UHFFFAOYSA-N 386.455 -0.226 30 20 GBED CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(CCC#N)CC3)C2)CC1 602244453 PDMAFHJGVDLJEB-INIZCTEOSA-N 376.505 -0.671 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)S(=O)(=O)c2ccc(F)cc2)CC1 728531831 RSWOUGPQKLAXKY-CQSZACIVSA-N 395.456 -0.119 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCS(=O)(=O)[C@H](C)[C@H]2C)c1=O 736288893 MBBOICAVWYUAGT-CHWSQXEVSA-N 384.458 -0.991 30 20 GBED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cnn(CCOC)c2)c1=O 743728096 HNVXENOMAVAASX-UHFFFAOYSA-N 375.454 -0.588 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1CN1C(=O)NC2(CCN(C)CC2)C1=O 756876332 LSYZXLDZUSYSIY-AWEZNQCLSA-N 398.471 -0.168 30 20 GBED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(Cc2nnn(C)n2)C1=O 783039181 HYBZRPBUHIYDMJ-JTQLQIEISA-N 390.429 -0.119 30 20 GBED COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCC(=O)NCC#N)CC2)cc1 804819755 IUYSXRZLYOOSOA-VOTSOKGWSA-N 385.424 -0.344 30 20 GBED CC#CCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 810776653 BTQMEKLPFXOMLC-UHFFFAOYSA-N 389.455 -0.871 30 20 GBED N#Cc1ccc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)nc1 846820547 LVOOTDWKZQIIGO-HNNXBMFYSA-N 384.483 -0.412 30 20 GBED C[C@@H](CC(=O)NCCc1nc(N)n[nH]1)/N=C1/NS(=O)(=O)c2ccccc21 854519158 YDIIHRXELLYOCU-VIFPVBQESA-N 377.430 -0.437 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(N2CC[C@H](O)C2)CC1 856254040 ITVKYRHBWFVFMM-AWEZNQCLSA-N 392.481 -0.217 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)CCc3cnn[nH]3)C[C@@H]21 960975744 ULQDRBQOCJYEAF-FXUDXRNXSA-N 375.429 -0.233 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2ncn(C)c2=O)nc1 1003783326 VIAPEBBEFGSHER-BMFZPTHFSA-N 380.408 -0.480 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 1025035539 FPCPDORHPTWKTB-SHFYGJNESA-N 390.440 -0.547 30 20 GBED CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 1321889496 BTKXGIGVQZNBLG-YNEHKIRRSA-N 380.492 -0.847 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCC2(C(=O)N(C)C)CCCC2)CC1 1323018563 HVIHSLAHQYEYIY-UHFFFAOYSA-N 390.484 -0.261 30 20 GBED CN1CCN(Cc2cccc(CNC(=O)C(=O)N3CC[C@](O)(CC#N)C3)c2)CC1 1326881062 ZHLBFZPOWJYBMC-OAQYLSRUSA-N 399.495 -0.073 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)nn1 1328106014 BMGXITGSGOZSBW-UHFFFAOYSA-N 397.439 -0.472 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)CCN1Cc1ccccc1 1331172765 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C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)NCc1ccccc1-c1nn[nH]n1 1588351587 ZWVFDMYBKJEWQI-RDJZCZTQSA-N 383.456 -0.469 30 20 GBED C#CCNC(=O)CNCC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C 1588354577 QMUOJDYEQJSCOU-CHWSQXEVSA-N 384.444 -0.368 30 20 GBED C#Cc1ccc(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cc1 1588366766 AQAZPLPWPSUOEP-AWEZNQCLSA-N 379.380 -0.303 30 20 GBED C=CCn1cc(C(=O)NC[C@H]2CCCN2c2nccnc2-c2nn[nH]n2)nn1 1588713476 MKVBMJJBYPSUFA-LLVKDONJSA-N 381.404 -0.167 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@H]2O)cc1 1602739266 FXSXNZMGBSJSEQ-ZIAGYGMSSA-N 376.380 -0.383 30 20 GBED CN(CCN1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1)C(=O)C#CC1CC1 1604764047 CDAYTUDHKQWXIM-UHFFFAOYSA-N 381.444 -0.350 30 20 GBED Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)N[C@H]3CCCN(O)C3=O)CC2)o1 1606020523 ZZQIDQXJJMTWGE-NSHDSACASA-N 390.404 -0.124 30 20 GBED Cn1c(=O)[nH]c(N2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c(C#N)c1=O 1606202499 ONBFYXGKNWVVHY-UHFFFAOYSA-N 393.411 -0.158 30 20 GBED CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC#N)C3)CC1 1778847789 UMUBZOUEFJZGGY-VQIMIIECSA-N 377.489 -0.339 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783165395 QSPROJBVVBNANK-LIRRHRJNSA-N 393.440 -0.538 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)C(C)C)C[C@@H]21 1783528289 LIOPXDSFBGDYEJ-DRGZHYIVSA-N 393.484 -0.159 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnn3)C[C@@H]21 1784502976 MAIOIFZZXNIJKB-VGWMRTNUSA-N 377.445 -0.151 30 20 GBED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOCC4)C[C@@H]32)CC1 1786694643 YIRJMJOGCJVUIH-JYJNAYRXSA-N 376.457 -0.398 30 20 GBED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)O2)cc1 1793419044 HTDNIIFEBZMRES-FZKCQIBNSA-N 384.392 -0.130 30 20 GBED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797808417 NMLOLIZIJDNXJB-RUEZSYAVSA-N 381.473 -0.561 30 20 GBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cc(C)on1 1797829640 LBDBWKWBFDRAEM-FVCICTRLSA-N 376.413 -0.121 30 20 GBED NC(=O)[C@@H](N)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200621 NMXZGEUOXUGOQH-CMPLNLGQSA-N 390.400 -0.917 30 20 GBED CN[C@@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1)C(=O)O 1826947585 DXCPWIMABPVFCK-LSDHHAIUSA-N 393.440 -0.243 30 20 GBED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835575482 RUCZTRRIROXYFO-DNVCBOLYSA-N 393.488 -0.306 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1840168763 QTUVUSFCVCZNQV-GOSISDBHSA-N 376.413 -0.011 30 20 GBED N#CC1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CCS(=O)(=O)CC2)CCC1 1848073322 PJTDUCCXEIVRPL-GJZGRUSLSA-N 394.497 -0.388 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N[C@H](CC(C)C)C(=O)OC)c1=O 61355528 CRBKZFDPBNSFAO-CYBMUJFWSA-N 394.428 -0.752 30 20 GBED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 255642632 KNAOHGDNHDFXSH-UHFFFAOYSA-N 383.389 -0.067 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H]3C[C@@H](C(=O)OC)O[C@H]3CC[C@H]2C)C1=O 283711810 WZBSBDJUQCXYQG-VOAKCMCISA-N 393.396 -0.327 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCCN(C)S(=O)(=O)CC)C1=O 284333832 XHHSSPNWNREDOO-CYBMUJFWSA-N 388.490 -0.981 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 292351714 PZMNNSGQDNLMLW-YOEHRIQHSA-N 378.473 -0.493 30 20 GBED CCCCn1c(O)nc(=O)c2c1nc(Cn1c(=O)c(C#N)cn(C)c1=O)n2C 298312663 OQNDQUVMXUDCKI-UHFFFAOYSA-N 385.384 -0.584 30 20 GBED Cc1nc(S(=O)(=O)NC/C(O)=N/CCN2CCN(C)C(C)(C)C2)cn1C 328698008 HLHDWNJFGGRHJT-UHFFFAOYSA-N 386.522 -0.011 30 20 GBED CCS(=O)(=O)N(C)CCC/N=C(/O)N1CCC(N(C)S(C)(=O)=O)CC1 330413274 LZYBKKHBWUGJCF-UHFFFAOYSA-N 398.551 -0.072 30 20 GBED C=CCOC[C@H]1NC(=O)N(CCS(=O)(=O)NC[C@@H]2CCCCO2)C1=O 348578470 WNXGCSGWOKLHFZ-QWHCGFSZSA-N 375.447 -0.402 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CCOC[C@@H](C2CCC2)C1 349481756 PAMWEMNOFXQJIA-AWEZNQCLSA-N 379.504 -0.102 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCS[C@@H]2COCC[C@H]21 349489708 FXDVTQPHHPGIAD-YNEHKIRRSA-N 397.544 -0.256 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCN(C)C(=O)[C@H]1C 349599547 KALQIIDYYCUPOR-CHWSQXEVSA-N 394.519 -0.567 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC(=O)[C@@H]2c2ccccc2C)C1=O 363970004 JGKGQYIPVMUPFE-HNNXBMFYSA-N 384.392 -0.029 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](N3CCCCC3=O)C2)C1=O 370978677 JLSLJIBVPGNGAK-ZDUSSCGKSA-N 376.413 -0.033 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)CCCOC)CC1 409496435 ASDAEHNHIOLBMU-CQSZACIVSA-N 396.535 -0.303 30 20 GBED N#Cc1ccc(F)c(CS(=O)(=O)N2CCN(CCS(N)(=O)=O)CC2)c1 500937342 UMLHRIJPQZDDKR-UHFFFAOYSA-N 390.462 -0.567 30 20 GBED C[C@H]1C[C@H](O)CN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 530519031 AWCFGIIYCRZUDZ-HOCLYGCPSA-N 392.481 -0.154 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCC)cc1 540747344 JCIGHRGJZIOWOW-UHFFFAOYSA-N 382.442 -0.268 30 20 GBED C[C@H]1[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCS1(=O)=O 557129523 ZMMQDVPMLXTKHZ-FZMZJTMJSA-N 385.467 -0.129 30 20 GBED C=CCN1CC[C@H](N2CCN([C@H]3CCN(CC=C)C3=O)[C@@H](CCO)C2)C1=O 568289835 QWUIXRGVFYHXCO-BZSNNMDCSA-N 376.501 -0.071 30 20 GBED COCCO[C@@H]1COCC[C@@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 583471993 MDNLWOZMUKYLFO-JKSUJKDBSA-N 397.453 -0.227 30 20 GBED N#CC[C@]1(O)CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 592845512 OONWDBDGZWOBBF-PXAZEXFGSA-N 392.437 -0.436 30 20 GBED Cc1nc(=NS(=O)(=O)c2ccc(S(=O)(=O)NCCCC#N)cc2)n(C)[nH]1 594539739 GMQZOWBPNVFPPS-UHFFFAOYSA-N 398.470 -0.072 30 20 GBED COC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)C#N)cc1 594628732 FNVRAXPEAZKAOQ-VXGBXAGGSA-N 391.471 -0.495 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3=NCC(=O)N3)CC2)cc1 604185108 ZXHMJKRXNSUEMG-UHFFFAOYSA-N 375.410 -0.439 30 20 GBED N#C[C@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)N2CC[C@@](F)(C#N)C2)C1 619681698 GZOFTOPDRYEDHV-CHWSQXEVSA-N 396.441 -0.089 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)ccc2F)CC1 728590258 YXPRURWHJHGTOZ-UHFFFAOYSA-N 397.428 -0.332 30 20 GBED Cn1cnc(S(=O)(=O)NCC(=O)OCC(=O)NC2(C#N)CCCCC2)c1 756450013 ATNBAANXDDHVSW-UHFFFAOYSA-N 383.430 -0.416 30 20 GBED COC(=O)c1cn(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)nn1 757600984 UZPBSGQAHQTPMS-GHMZBOCLSA-N 378.389 -0.060 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@H]2CCN(c3ccccc3OC)C2=O)CC1 761025537 UWBIHLOLUHQNJO-INIZCTEOSA-N 392.481 -0.114 30 20 GBED C=CCNC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762936318 IALNNWPAHMSUIY-QWRGUYRKSA-N 383.426 -0.314 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(c2cnccn2)CC1 787755923 XBHDDXYAZIPBPD-UHFFFAOYSA-N 380.412 -0.380 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)c1cnn(C)n1 792033573 AFPOCTNNWHRLMV-JTQLQIEISA-N 377.382 -0.220 30 20 GBED C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 808238443 FUDUOZGWWCSWCA-CZUORRHYSA-N 397.435 -0.536 30 20 GBED N#C[C@@H]1COCCN1C(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 822806807 UBPARRFCXQZTJS-CYBMUJFWSA-N 376.398 -0.468 30 20 GBED C#CC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)C(=O)OC 841541726 XDPRCCBHAPBZRN-LBPRGKRZSA-N 386.451 -0.030 30 20 GBED N#C[C@H](C(=O)Cn1nnnc1-c1ccsc1)C(=O)N1CCS(=O)(=O)CC1 842714613 AWGLUYKXOIKOLX-LLVKDONJSA-N 394.438 -0.633 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C)c2F)CC1 872515905 XGDSOYRHBJERTD-UHFFFAOYSA-N 375.447 -0.092 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(N2CCOCC2)C1 911659467 MCKUGRXMUPKZJF-UHFFFAOYSA-N 378.454 -0.342 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(NC(=O)C(C)C)CC2)c1=O 917448579 CAYVLIYJBGKNGD-UHFFFAOYSA-N 391.472 -0.262 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(C)CC2)c1 920539405 JJHBTNAVTDNHCG-UHFFFAOYSA-N 380.470 -0.345 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CCOC)nn2)C[C@@H]1O 964490372 TXFPLVQRHWWHDQ-XRGAULLZSA-N 393.444 -0.793 30 20 GBED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2cn(CC(N)=O)nn2)[nH]1 1003367141 FFDMRXMDJWNILC-QKCSRTOESA-N 382.384 -0.861 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1C[C@H]1C(=O)N(C)C 1058853743 JBGQGZAENYITLT-FZKCQIBNSA-N 381.473 -0.371 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(CC(=O)NCC#N)C3)O1 1111869784 JVHQGUKAKANGST-YGTYGHESSA-N 391.472 -0.767 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1 1117628532 HUGFPIMQRHWZHN-ZDUSSCGKSA-N 375.491 -0.130 30 20 GBED N#C[C@H](C(=O)CCNC(=O)OCC(F)(F)F)C(=O)N1CCS(=O)(=O)CC1 1122496729 ORWWIIKWWYOTLS-SECBINFHSA-N 399.347 -0.369 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1326803001 BHJSQMFKRNRQEU-OAHLLOKOSA-N 385.486 -0.395 30 20 GBED CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1328969208 LYVOKBXOPLGBEA-STQMWFEESA-N 382.417 -0.511 30 20 GBED N#Cc1ccc(OC[C@H](O)CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 1338487798 FDFSETCTLFIMQZ-ZWKOTPCHSA-N 388.468 -0.179 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCOC[C@@H]1c1ccco1 1346278171 UFTHPLANEKKSGP-KXEGMRRWSA-N 388.380 -0.178 30 20 GBED C=CCN(C(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)[C@@H](C)COC 1350280184 LNLKCFCXRYWVME-LSDHHAIUSA-N 380.489 -0.153 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2COCCN2)nnc1N1C[C@H](C)O[C@H](COC)C1 1574936933 PYBXJLPAHZRVMR-KKUMJFAQSA-N 394.476 -0.519 30 20 GBED N#Cc1ccc(N2CCOC[C@H]2CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 1581871071 FWRWETSYYCKTRC-LLVKDONJSA-N 380.372 -0.508 30 20 GBED C#CCOCCC(=O)N1CCO[C@H]([C@@H](C)Nc2cncc(-c3nn[nH]n3)n2)C1 1588359662 WDAIJFPGQMBODC-OCCSQVGLSA-N 386.416 -0.276 30 20 GBED C#CCNC(=O)CN1CCN(c2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1602722246 IJRVYVFZWZVVME-UHFFFAOYSA-N 388.363 -0.215 30 20 GBED CC(=O)N1CCN(C(=O)CSc2nc(N)c(C#N)cc2-c2nn[nH]n2)CC1 1609062908 FADKUPBDDYFADR-UHFFFAOYSA-N 387.429 -0.502 30 20 GBED CCOC(=O)CON=C(C(=O)N1CC[C@@H](OC)C[C@H]1C(=O)O)c1cc[nH]n1 1610017352 ANYOIZCOEQCKJJ-PWSUYJOCSA-N 382.373 -0.216 30 20 GBED N#CCC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1624771507 JTYNMMTUKOWXHI-UHFFFAOYSA-N 379.442 -0.335 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnsn1)C2 1782011329 ZQYHGBBBUYTHBV-MLGOLLRUSA-N 378.410 -0.246 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782963323 ZWCFMTBCVSUJQW-SLEUVZQESA-N 376.500 -0.288 30 20 GBED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1784386868 CVPJDRZZEPKHPK-QAETUUGQSA-N 394.493 -0.043 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(N)=O)[C@H]2C1 1790849901 WQELBBADLYWBQV-YSFHWQLDSA-N 392.456 -0.910 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CC(N)=O 1793432966 TZELOIZLQKYHBV-YMSVYLFOSA-N 382.461 -0.112 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccn1)C2 1799305167 RXOREZFMBVLDMK-JLVBRIDZSA-N 390.440 -0.018 30 20 GBED C[C@H](CC(N)=O)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1803672764 VLIICFMPPWYUOQ-DFHBCGBQSA-N 386.408 -0.313 30 20 GBED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)on1 1840041268 AXZJRRDGPKMHLN-QGZVFWFLSA-N 377.353 -0.859 30 20 GBED Cc1cnn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)c1 1840159390 BJCZNOYCRVUDGU-WMLDXEAASA-N 382.486 -0.034 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1840161237 IREFRLLATQYONB-ZQIUZPCESA-N 397.501 -0.311 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1840164088 XUFRAMOAKNOLCU-DVOMOZLQSA-N 383.474 -0.386 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844297090 ROJNTKRLLCHCBH-QGZVFWFLSA-N 395.456 -0.650 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2 1845255229 NZIMXXUDLBPZDN-LBPRGKRZSA-N 382.417 -0.466 30 20 GBED CCN(CCC#N)C(=O)CNc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 268004127 OSICZNUJWZFYBP-UHFFFAOYSA-N 393.469 -0.019 30 20 GBED COCC(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 268842414 UPZRPJSOWKRBNT-ZDUSSCGKSA-N 394.453 -0.458 30 20 GBED CS(=O)(=O)N(c1ccc(OCC/N=C(\N)NC2CC2)cc1)S(C)(=O)=O 271531215 POQAHFQOVMLHIS-UHFFFAOYSA-N 390.487 -0.142 30 20 GBED O=C(CN1CCOCC1)N1CCN(/C(O)=N/CCC2(O)CCOCC2)CC1 329401393 ZAJIWFMYAQZFID-UHFFFAOYSA-N 384.477 -0.692 30 20 GBED O=C(Cn1cc(N=C(O)N2CCN3CCOC[C@@H]3C2)cn1)N1CCOCC1 329849582 PYWBVLTUJDRMEL-HNNXBMFYSA-N 378.433 -0.696 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCn2cnnc2C1 349466792 FZOTVOBWDBHXKS-UHFFFAOYSA-N 382.427 -0.716 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)N[C@@H](C)C#N)CC[S@@](=O)C1 349609099 NYMWESACVZNTOQ-UTWWPYJBSA-N 399.560 -0.372 30 20 GBED C=CCN(CC(=O)OCC)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 371469527 UFINMPXDCHLOCY-GFCCVEGCSA-N 385.442 -0.270 30 20 GBED N#Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1Cl 372666874 QCOCLOKKSYWEJB-NSHDSACASA-N 375.772 -0.681 30 20 GBED COC(=O)[C@H]1[C@@H](O)CCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 376967618 MHYAUFMAKYEYBT-GOEBONIOSA-N 391.428 -0.498 30 20 GBED COC(=O)[C@@H]1[C@H](O)CCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 376967620 MHYAUFMAKYEYBT-ZBFHGGJFSA-N 391.428 -0.498 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 410141690 MXPFSUGTPOWEMD-HNNXBMFYSA-N 389.522 -0.374 30 20 GBED N#Cc1cccc(N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@@H]5O)CC2)n1 410751589 XJZVESUJOCBZIH-VZKYEUNXSA-N 381.436 -0.170 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1CCN(S(N)(=O)=O)CC1 465123202 RTYILBCLSNCCCK-GFCCVEGCSA-N 393.473 -0.699 30 20 GBED N#CCCN(C(=O)CN1C(=O)[C@H]2CN(C(N)=O)CCN2C1=O)c1ccccc1 482081654 ZCYZYNGYWIARFT-CQSZACIVSA-N 384.396 -0.040 30 20 GBED CCCNC(=O)CN(C)C(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 516088709 JKFMGONQPUYDAF-UHFFFAOYSA-N 389.456 -0.463 30 20 GBED Cc1c(C(=O)NC[C@@H]2CCCN(CC#N)C2)cnc2c1c(=O)n(C)c(=O)n2C 532688225 NGOJWDPFIRBKTD-ZDUSSCGKSA-N 384.440 -0.094 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCn3ncnn3)CC2)cc1 533225899 UJPVXUSFSCPRII-UHFFFAOYSA-N 389.441 -0.238 30 20 GBED N#Cc1ncn(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)n1 539391011 GMSMXHPYDCUTBZ-UHFFFAOYSA-N 392.397 -0.485 30 20 GBED COC(=O)C1(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCOCC1 558558494 YFIMWCOAWJZBIS-UHFFFAOYSA-N 395.437 -0.077 30 20 GBED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN3C(=O)CC[C@H]3C2)n1 562905401 RXSMUYOUIYCTQC-LBPRGKRZSA-N 379.380 -0.089 30 20 GBED N#Cc1ccc(O[C@H]2CCN(C(=O)c3nc(N)nc(N4CCOCC4)n3)C2)nc1 570169038 MNLABNQHILFVDC-ZDUSSCGKSA-N 396.411 -0.149 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C 575831553 RAKAFWOOFWZJGM-KGLIPLIRSA-N 395.551 -0.037 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)N(C)C)cc1 579730153 DBNPYHKCZJVIBQ-WDEREUQCSA-N 388.471 -0.368 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC[C@H]1N1CCN(C)CC1 601472585 XTATUDGXPQDBAN-QZTJIDSGSA-N 390.532 -0.471 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)N2CCN(C)CC2)c1 726986111 WBNDWQHYJQUABW-OAHLLOKOSA-N 378.498 -0.036 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc3c2COC3=O)CC1 747277059 FYILZCMKHITALT-UHFFFAOYSA-N 391.449 -0.197 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(S(=O)(=O)N(C)C)o2)CC1 761031780 CTLKLHYSXFNBDM-UHFFFAOYSA-N 390.487 -0.885 30 20 GBED COc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OC 771897681 JUYMHSYBOCJHQV-UHFFFAOYSA-N 382.398 -0.586 30 20 GBED CC[C@@](C)(C#N)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 795346242 ORJPYAGJDLJOGR-OCCSQVGLSA-N 377.488 -0.413 30 20 GBED C#CCC[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 799078337 FFZOKLXVPMNVMJ-TZMCWYRMSA-N 379.438 -0.423 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@H]1CCCO1 808470891 LYISIENIWGEYHJ-WGGGBPLMSA-N 385.420 -0.793 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(-c3nn[nH]n3)cs2)c(=O)n1C 819751684 ZGZPPMKMVMHGBF-UHFFFAOYSA-N 399.461 -0.506 30 20 GBED Cn1cc(C#N)c(=O)n(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)c1=O 826358065 CLDHGOKRGIQRTL-UHFFFAOYSA-N 377.324 -0.303 30 20 GBED C#CC[C@H](NC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)OC 843904627 AQNLYZMAGYOLFW-AWEZNQCLSA-N 381.410 -0.396 30 20 GBED C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)N=c1ccnc2n(C)[nH]cc1-2 848961429 WULIKASVKXVTNQ-GFCCVEGCSA-N 399.498 -0.243 30 20 GBED C#CC[C@@H](CCOC)NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 859019048 ILURGXVMWGAQMQ-ZDUSSCGKSA-N 378.433 -0.913 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2C)CC1 872514862 BMTYWSGYTDDTDU-UHFFFAOYSA-N 387.483 -0.222 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN(CC(=O)N(CC)CC)CC1 875598681 JHWPNQIYPZDPCL-MRXNPFEDSA-N 380.489 -0.456 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 875601150 XZPFIKJKBYEXGV-OWCLPIDISA-N 381.473 -0.079 30 20 GBED COCCCNC(=O)[C@@H](C#N)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 916869973 AUJZQIQBVASLHF-INIZCTEOSA-N 398.419 -0.080 30 20 GBED CS(=O)(=O)CC(=O)[C@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 920113844 QYMRNWXMBZLFJK-AWEZNQCLSA-N 394.409 -0.003 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnc3[nH]nnc23)C[C@H]1OC 946819131 ZXOSINDIUHRWIT-RUZUBIRVSA-N 386.412 -0.100 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](OCC)[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 983335945 OPYYPMBWWNLJBM-LUYZLQTOSA-N 390.440 -0.046 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnns2)C1 990828484 IFYHFKZUHIRDJN-NDBYEHHHSA-N 389.441 -0.097 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2CC(=O)NC2=O)nc1 1004744829 OUMLTDFLDKDNHS-XNISGKROSA-N 380.404 -0.023 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 1023808694 BFZSSYDXKIABQX-MYPMTAMASA-N 376.413 -0.604 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN1CCC(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1055582347 CKZYYGKWDYUXIV-YVSFHVDLSA-N 392.500 -0.214 30 20 GBED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 1093055962 BEFNQGXKZDZRRB-LOWDOPEQSA-N 378.458 -0.098 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1109541783 NRXSFOMZSNOMAM-OWYFMNJBSA-N 378.473 -0.177 30 20 GBED C=CCN(C(=O)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O)[C@H](C)COC 1118633582 YXMVQXILZMDABE-KGLIPLIRSA-N 377.445 0.000 30 20 GBED C=CCn1c(CC2CC(O)C2)nnc1N1CCN(CC(=O)NCCOC)CC1 1262931406 MKYUVVHLMPQEKY-UHFFFAOYSA-N 392.504 -0.338 30 20 GBED CCOC(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1326598278 XAYKTYIJHKMYNQ-VVLLMFOMSA-N 392.412 -0.427 30 20 GBED Cn1cc(C#N)cc1-c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1C 1339687162 VTFZDFHNPDNKRU-UHFFFAOYSA-N 398.471 -0.327 30 20 GBED C#CCN(CC#CC)c1nnc(Cn2cc(CCO)nn2)n1C[C@@H]1CCOC1 1344235566 WMCGWCHZMQWODO-INIZCTEOSA-N 383.456 -0.048 30 20 GBED CCc1nsc(N2CCN(C(=O)C(=O)N3CC[C@](O)(CC#N)C3)CC2)n1 1345972181 LOCBPAFLOOOLFY-MRXNPFEDSA-N 378.458 -0.374 30 20 GBED COCC(=O)N1CCN(c2nnc(-c3ccnc4c(C#N)cnn34)n2C)CC1 1346122563 CLRJKSOHTVIEJH-UHFFFAOYSA-N 381.400 -0.309 30 20 GBED C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC(=O)N1CCOCC1 1508426846 IRXKTVMSHJCAJA-CQSZACIVSA-N 389.460 -0.145 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCC(C)(C)O 1541946097 PTNMHLIUEMSAGA-NWDGAFQWSA-N 386.478 -0.222 30 20 GBED C#CCNC(=O)CNCC[C@@H]1CCCN(C(=O)[C@H](C)OCc2cnn[nH]2)C1 1575004701 JIVJFQYCVIZJRT-GJZGRUSLSA-N 376.461 -0.323 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)c1 1577709977 KPIHJQJPNMXSFB-ZBFHGGJFSA-N 382.428 0.000 30 20 GBED CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1579859537 OICUFJUSLRNBCF-CHWSQXEVSA-N 380.372 -0.510 30 20 GBED CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1579860592 KPBXYTKYFJJAME-VXGBXAGGSA-N 380.372 -0.510 30 20 GBED C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1588349886 QBXGYFFQLDQQSZ-GFCCVEGCSA-N 381.439 -0.322 30 20 GBED C#CCOCCC(=O)NCC1[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]12 1588361896 UFWPJNAYMBWWRR-CHWSQXEVSA-N 383.412 -0.331 30 20 GBED C[C@H](CC(=O)N[C@H]1CCO[C@H]1C(=O)O)/N=C1/NS(=O)(=O)c2ccccc21 1592258880 KPFYDPGTURLEPT-OLUVUFQESA-N 381.410 -0.138 30 20 GBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1602868257 KHPSZIQLTKUHIG-NSHDSACASA-N 375.389 -0.645 30 20 GBED COC(=O)CCNC(=O)COC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1604938048 CNNMUIJYQDVQOQ-CYBMUJFWSA-N 386.368 -0.229 30 20 GBED CCOC(=O)C1(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1782922237 GJBZYXMUMWOLHG-KRWDZBQOSA-N 378.381 -0.752 30 20 GBED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)n3[nH]nnc3n1)CCO2 1783907387 XLWRLHWFQSUHPN-SFHVURJKSA-N 399.411 -0.940 30 20 GBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2 1785423747 AQJFDVYVHYDUCG-LPHOPBHVSA-N 394.424 -0.276 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnnc3)[C@H]2C1 1785953855 XBORPGAPHCKLSH-SRMUPAJBSA-N 399.451 -0.072 30 20 GBED CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)S)[C@H]2C1 1791261946 MMKMAFJFMDGECY-QMVSFRDZSA-N 386.518 -0.008 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1 1792537653 DLJMEWGIXKQTFG-DUGXABPWSA-N 390.484 -0.470 30 20 GBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1795421614 MLNDFVNGYRDGEK-DPIQGUFMSA-N 375.385 -0.546 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)nn1)C2 1797707295 HTCBUOMOHUXEAK-FAXLKDOZSA-N 390.440 -0.042 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]nc1C 1798657042 NDLXEFCDKADRTQ-OLDVJPBNSA-N 387.440 -0.220 30 20 GBED CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798694176 LIXMNSVNNSNPKV-YXPYIKCWSA-N 385.424 -0.290 30 20 GBED NC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC1(O)CCCCC1)C2 1804476198 KBJRGXNNGBDGHP-QDMKHBRRSA-N 376.457 -0.009 30 20 GBED Cn1nc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1O 1804900035 VKCHNOHQJKUCCX-UGSOOPFHSA-N 397.391 -0.072 30 20 GBED CN(C)C(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831207327 DTBZGPCJBLKMEX-IBGZPJMESA-N 392.456 -0.873 30 20 GBED Cn1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cn1 1831225671 XLFFAHZQWMHULH-HXUWFJFHSA-N 386.452 -0.168 30 20 GBED CNC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831481647 AXCONNGNAGGCRY-RDJZCZTQSA-N 387.502 -0.467 30 20 GBED C[C@H](Cn1cccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1833195882 KXSRDNGLYRPUCK-CRAIPNDOSA-N 375.429 -0.111 30 20 GBED Cc1nn(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)c1F 1834760173 IIKYFUXILSQTTN-KRWDZBQOSA-N 379.392 -0.149 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(C)(C)O)CCO2)C1 1835260488 CKMUSNMJRDARRK-DNVCBOLYSA-N 382.457 -0.358 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1835352383 WXMWBYVLOBZVEA-QGZVFWFLSA-N 380.401 -0.801 30 20 GBED C[C@@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839165455 LPQQLDPCTMCKSK-RDTXWAMCSA-N 378.429 -0.729 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839235276 QRGKTUAMQJVISH-CRAIPNDOSA-N 393.444 -0.674 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1840171962 JIHVNTRJLJKRLE-GOSISDBHSA-N 377.397 -0.268 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)n[nH]4)C3)C2)CCC1 1840812616 AUNGFNNPXWPYMM-SFHVURJKSA-N 389.412 -0.121 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1844235456 DJGMCWPJJMCPRN-NEPJUHHUSA-N 378.429 -0.639 30 20 GBED COC(=O)c1csc(S(=O)(=O)N2CCN(CC(=O)NCC#N)CC2)c1 66473966 GLDOOGZJABRGNC-UHFFFAOYSA-N 386.455 -0.519 30 20 GBED CCn1cc(/C=c2/s/c(=C(/C#N)C(=O)NCCCOC)n(CC)c2=O)cn1 264914480 KIMFKJGCNRDBRJ-IATADAHLSA-N 389.481 -0.198 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCCN3C(=O)CNC3=O)C2=O)cc1 277169779 JBZQMGLLQRGROV-OAHLLOKOSA-N 398.423 -0.100 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=O)OC)C(=O)OC)c1 298151595 WNBSCTYKMMRODI-ZDUSSCGKSA-N 382.394 -0.567 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)[C@@H](C)C1=O 349472717 HEVWJYZAWJMCEG-OLZOCXBDSA-N 394.519 -0.567 30 20 GBED COCCN1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1=O 377947397 QPESCXRYJDALNV-UHFFFAOYSA-N 383.368 -0.648 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CCNC2=O)cc1 442269622 PBYGYKQCFMNWRP-CQSZACIVSA-N 394.453 -0.222 30 20 GBED COC(=O)[C@@H]1CS(=O)(=O)CCN1CCS(=O)(=O)c1cccc(C#N)c1 460408432 VPDSVUDLZYOMJP-AWEZNQCLSA-N 386.451 -0.396 30 20 GBED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCCOC)n(CC)c1=O 512746885 OZNCXEWMQFUCJV-UHFFFAOYSA-N 389.481 -0.198 30 20 GBED CNC(=O)[C@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCO1 542923060 HVRSTBSBAJTVJS-CYBMUJFWSA-N 380.426 -0.616 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)C1=O 564199614 WNMSGMHTGZLFFX-MELADBBJSA-N 376.413 -0.274 30 20 GBED CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 579731644 NQOJBWOKLWLLOR-QWHCGFSZSA-N 375.428 -0.819 30 20 GBED CCOc1ccc(N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)nn1 595393116 WSPIEGDGIJTMCZ-ZDUSSCGKSA-N 382.446 -0.534 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CC(N)=O 608912287 RVZPRDGYVQYSIT-UHFFFAOYSA-N 376.463 -0.514 30 20 GBED C[C@H]1COCCN1CCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 729384701 DALHQXQTORAQAM-ZDUSSCGKSA-N 380.470 -0.048 30 20 GBED Nc1nc(Cl)c(C=NN=c2nc3[nH][nH]cc-3c(O)n2)c(N2CCOCC2)n1 731155251 VQEBWUWCRXCESU-UHFFFAOYSA-N 390.795 -0.260 30 20 GBED CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761034263 NOVVPGXSXXZXLF-UHFFFAOYSA-N 384.389 -0.230 30 20 GBED C[C@H](CNC(=O)C(=O)NCCNc1ncccc1C#N)CN1CCN(C)CC1 790182243 AEMFXBZSECXLNE-OAHLLOKOSA-N 387.488 -0.519 30 20 GBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 799285639 AEZMUYQHNUESOA-CQSZACIVSA-N 379.438 -0.044 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 799287969 VQMXCYHFMGGUCJ-KRWDZBQOSA-N 386.452 -0.097 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCc3ccnn3C)CC2)c1C#N 808021021 XCUHNXBUTJAPQB-UHFFFAOYSA-N 384.444 -0.659 30 20 GBED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCCc1cn(CC(=O)O)nn1 833076536 IHXRCWDIACBAOA-UHFFFAOYSA-N 393.381 -0.701 30 20 GBED C#CCN(CC#CC)S(=O)(=O)CCCS(=O)(=O)N1CCCn2ncnc21 848960810 NUSGKDJQKJWCCR-UHFFFAOYSA-N 399.498 -0.504 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C)c(C(=O)OC)o2)CC1 851763449 AUJMGMIZJFOYIV-UHFFFAOYSA-N 397.453 -0.180 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2[nH]cnc2Br)CC1 866730847 DCKCTKAJSONQLR-UHFFFAOYSA-N 390.263 -0.772 30 20 GBED C#CC1(O)CN(C(=O)CCc2c(C)nn(CCC(=O)N3CC(O)(C#C)C3)c2C)C1 890524903 VOMNEJIJGUNCLY-UHFFFAOYSA-N 398.463 -0.764 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 976762760 MTCBUKFMYSSRAP-SYQHCUMBSA-N 390.444 -0.488 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)cn1 1025060330 IJIDSSVFNCMHOA-YFHUEUNASA-N 379.420 -0.098 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCCn2cncn2)C1 1070196250 MKKNGCUNAKKMBV-NCOADZHNSA-N 386.460 -0.108 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)Nc2cnccn2)C[C@@H]1O 1083848512 HEWYNIPTZFHHNQ-KRXQYRFLSA-N 389.456 -0.052 30 20 GBED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1117533031 RTBZZXFVOBZJGW-CZUORRHYSA-N 397.435 -0.141 30 20 GBED C=CCOCCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1130234892 NVGMEGXPUADUNV-CRWXNKLISA-N 392.460 -0.793 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCC(=O)NCC3CC3)C2=O)cc1 1261131843 RLGFPIIACYSPMN-MRXNPFEDSA-N 397.435 -0.188 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)nn1CCC#N 1261905967 FFLWZNZLTFWTBA-GFCCVEGCSA-N 382.446 -0.416 30 20 GBED C=C(C)Cn1c([C@@H]2CNC(=O)C2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1263294667 DKNQYFLCZFCCTL-QWHCGFSZSA-N 382.490 -0.024 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCOc2ncccc2F)CC1 1323633693 SDBBNTFAMNSZKV-UHFFFAOYSA-N 376.388 -0.296 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCc1ccccc1NS(C)(=O)=O)[C@@H]1CCCO1 1323782506 SVQCSORXCXYBQC-HIFRSBDPSA-N 379.438 -0.029 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC([C@H](O)c3nccn3C)CC2)C1=O 1324184338 FJXWINWSQYCFMO-AWEZNQCLSA-N 389.412 -0.331 30 20 GBED CNS(=O)(=O)N1CCC(C(=O)N2CCN(c3cnccc3C#N)CC2)CC1 1327886640 IWPNGUILSIFRSM-UHFFFAOYSA-N 392.485 -0.222 30 20 GBED CCS(=O)(=O)CCn1cc(C)c(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)n1 1344007378 WZDVJRZSTUVKCA-LBPRGKRZSA-N 383.430 -0.684 30 20 GBED C#CCO[C@@H](C)C(=O)N(CCC)[C@@H]1CCN(CC(=O)NCc2cnn[nH]2)C1 1575004858 OFJVPBLLAJLNPF-GOEBONIOSA-N 376.461 -0.228 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCN(Cc3cnn[nH]3)CC2)C1 1575012629 FAGWTGQTWDYVFG-CVEARBPZSA-N 388.472 -0.274 30 20 GBED C=CCNC(=O)[C@@H](C)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575104658 URTBFMJCGGJCFA-KQTLUZQSSA-N 375.477 -0.303 30 20 GBED C=CCn1cc(C(=O)N[C@]2(C)CCN(C(=O)[C@H](C)OCc3cnn[nH]3)C2)nn1 1575112136 PLBJMWQJHOZVNR-YVEFUNNKSA-N 388.432 -0.092 30 20 GBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)CCOCc3cnn[nH]3)[C@H]2C)nn1 1575112203 QUAOXBCLISNVPO-OCCSQVGLSA-N 388.432 -0.092 30 20 GBED C[C@H](OCc1cnn[nH]1)C(=O)N1CCC(N(CCO)C(=O)C#CC2CC2)CC1 1575743557 TYFOLQBLZAHQFL-AWEZNQCLSA-N 389.456 -0.065 30 20 GBED C[C@H](OCc1cnn[nH]1)C(=O)NC[C@@H](O)CNCc1ccc(C#N)cc1F 1575851467 ADTFODLJIIRQAP-NHYWBVRUSA-N 376.392 -0.013 30 20 GBED CN(C[C@@H](O)CN(C)c1cnc(C#N)cn1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1579030419 SUBCBKAKHFDRMF-LBPRGKRZSA-N 382.388 -0.574 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC2(C[C@@H](O)CNC2=O)C1 1581855825 NYMARMDKJCVFOY-ZIAGYGMSSA-N 381.396 -0.742 30 20 GBED N#Cc1cncc(NC[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCO2)n1 1581882761 FEQIUCOPYJLPRT-LBPRGKRZSA-N 380.372 -0.190 30 20 GBED C#CCN(CC(=O)O)C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 1602682056 DWWRBKPKBMKGNP-CYBMUJFWSA-N 382.442 -0.026 30 20 GBED N#Cc1ccc(C(=O)NC[C@H]2CN(c3cnc(-c4nn[nH]n4)cn3)CCO2)[nH]1 1606368190 XJKBAKPCYCQHRK-NSHDSACASA-N 380.372 -0.508 30 20 GBED Cn1c(=O)[nH]c(N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c(C#N)c1=O 1650904777 RIVULCBWILLPHI-UHFFFAOYSA-N 387.421 -0.474 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783683108 NMFKVSWDDKUYTG-XDQVBPFNSA-N 396.444 -0.420 30 20 GBED C[C@@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1783901521 RNAIXKNJKQALGB-IIDMSEBBSA-N 384.546 -0.230 30 20 GBED C[C@@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788604200 VPMJOVVSSLMIRB-LUHHERHRSA-N 393.488 -0.428 30 20 GBED CCC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791079663 XRSWAPZUWPOVSM-JONQDZQNSA-N 393.440 -0.641 30 20 GBED CN(C)C(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1792627284 KCLFKNMFZWWDKX-XEMDLRDOSA-N 398.463 -0.101 30 20 GBED CNC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1793284950 KCPJCOHURSKYCQ-AACUENJTSA-N 396.444 -0.759 30 20 GBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794006811 ZHBFEPALSOALQS-NJBDSQKTSA-N 383.430 -0.301 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)c1ccc(C)cc1 1795323727 MWCKINZRGNDMBH-CCWDJLKJSA-N 390.461 -0.008 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O 1796343091 AELXDJMUPVSAER-FMSGJZPZSA-N 392.412 -0.318 30 20 GBED Cn1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c2cccnc21 1797577636 SFCYVPILIOCBFI-IVWMJMPLSA-N 396.403 -0.136 30 20 GBED C[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 1802285649 ONPAARXGHUYOES-YIYPIFLZSA-N 389.543 -0.327 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1829710835 LHLRIBDGVZNKNE-SFHVURJKSA-N 396.513 -0.205 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)C)C2)C1 1829765188 LNBUHTDFGBVBAP-SFFCAUCYSA-N 379.457 -0.043 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(F)CC3)C2)C1 1829771553 VLRSFAOTLRIGQF-JXCVUKRWSA-N 395.431 -0.197 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)[C@@H](C)CC)C2)C1 1831393370 KPGQJJNHGBTDRJ-PFRQMTDMSA-N 395.500 -0.146 30 20 GBED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)n(C)n1 1835353827 DGDPMOBETAMFAR-GOSISDBHSA-N 391.428 -0.198 30 20 GBED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836214288 MYHFDISAMXVRJO-MRXNPFEDSA-N 399.398 -0.054 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC=CCC3)C2)C1 1840043879 ZLRHAPJESZJBQT-KXBFYZLASA-N 376.409 -0.113 30 20 GBED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)no1 1840369627 HHVHZDRKDLJLSY-SFHVURJKSA-N 391.380 -0.930 30 20 GBED CN[C@H](CC(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)C(=O)O 1842951634 VKRBHNICWGOKKB-NQBICTHYSA-N 396.444 -0.219 30 20 GBED CNC(=O)Cn1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cn1 268829534 QMSNBDSTXFKZHK-LLVKDONJSA-N 390.425 -0.194 30 20 GBED CN(/C(O)=N/[C@@H]1CCCN(c2cnn(C)c2)C1=O)[C@@H]1CCN(S(C)(=O)=O)C1 330202683 ZPQHJGOLLAGGGL-TZMCWYRMSA-N 398.489 -0.205 30 20 GBED C=CCN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@H]1CCS(=O)(=O)C1 332190005 UYKBZWCMJAGCAR-LBPRGKRZSA-N 392.437 -0.553 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)NCC#N)C(C)(C)C1=O 349453194 FGKUJEXWRSEDLX-UHFFFAOYSA-N 380.492 -0.908 30 20 GBED Cc1ncc2c(n1)CCN(S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1)C2 349514901 GJAGEPUDOZMCDJ-UHFFFAOYSA-N 399.498 -0.161 30 20 GBED CN(C)C(=O)NCCN(C)C(=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 410947655 RNCPVGPJGVPNCU-CQSZACIVSA-N 388.428 -0.337 30 20 GBED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 427697817 WFCLPXXULNQTNJ-QWRGUYRKSA-N 392.416 -0.153 30 20 GBED COC(=O)[C@]1(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCOC1 446713641 YSCZMFAPKOFBFH-INIZCTEOSA-N 381.410 -0.141 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1COCCO1 516938468 PICZZKNWIFQPNI-LBPRGKRZSA-N 389.455 -0.476 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCC[C@@H]3CCO)CC2)c1C#N 521989931 HQPBIQMNZDUWMB-ZBFHGGJFSA-N 388.472 -0.084 30 20 GBED C[C@H](C(=O)N1CCOCC1)N1CCN(CC(=O)N(CCC#N)CCC#N)CC1 531841190 PGZOWXLIQNDVQZ-QGZVFWFLSA-N 390.488 -0.493 30 20 GBED C=CC[C@@H](CO)CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 537120624 ZIYFAEOGNOLENN-CYBMUJFWSA-N 381.454 -0.279 30 20 GBED COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2OC)C1=O 545295502 IMJPNFKZWJDXMK-CYBMUJFWSA-N 388.380 -0.214 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1COC[C@H]1O 576359736 LBEIMQKAFGLNGA-IJLUTSLNSA-N 389.455 -0.743 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)CC1 602244345 ZDIFLRISVKKNJP-QGZVFWFLSA-N 383.452 -0.038 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)CCC)CC1 728531323 HGVYENOHHKHHJT-MRXNPFEDSA-N 398.529 -0.526 30 20 GBED COC(=O)CN(CC(=O)OC)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 728561698 ZVOYQSNTECDQAH-SFHVURJKSA-N 388.380 -0.069 30 20 GBED N#C[C@@H](C(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(=O)N1CCS(=O)(=O)CC1 732909683 FKJHKSBWFIDJFC-KBPBESRZSA-N 376.390 -0.266 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)Cc2c(C)nc3cc(O)nn3c2C)CC1 733150524 LYCYCNUJBKDBLN-UHFFFAOYSA-N 398.467 -0.122 30 20 GBED CC(C)(C)OC(=O)NCC(=O)NCC(=O)NS(=O)(=O)CC1(C#N)CCC1 777366165 SJYWVJGULVIWBJ-UHFFFAOYSA-N 388.446 -0.233 30 20 GBED N#Cc1ccc(NCCNC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)nc1 806186469 QFMREDZBSQIJDK-NSHDSACASA-N 398.345 -0.239 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1)[C@H]1CCCO1 809312853 QEQAOVHEGJMEBK-HZPDHXFCSA-N 378.473 -0.704 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](O)[C@@H](C)c2ccccc2F)CC1 831585749 ZMOUGGFOSGVZHH-BBRMVZONSA-N 383.445 -0.098 30 20 GBED CCOC(=O)c1ccc(N2CC(N/C(=N/C)NCCN3CCOCC3)C2)nc1 849080132 WPOAIMRHWWMXJZ-UHFFFAOYSA-N 390.488 -0.056 30 20 GBED CC[C@@]1(C)NC(=O)N(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1=O 906485543 JIBXPSQZFDQVCA-OAHLLOKOSA-N 379.398 -0.523 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(C(=O)NC)n2)C[C@@H]1O 970702493 SZZHQYMUBOMBDE-FWYOQMDTSA-N 388.424 -0.666 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]2C1 986702686 PACLBSBQHCPNML-TWMKSMIVSA-N 391.468 -0.257 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccncn2)C[C@@H]1n1ccnn1 990962795 ILLVWTJHQQYGCB-OJLVUWQFSA-N 383.412 -0.159 30 20 GBED Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)c(O)nc1=O 996524237 JAXDEIHOJHTGFC-SWHYSGLUSA-N 382.380 -0.139 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 1021797439 QHSPCRHMTCNJAN-YJNKXOJESA-N 390.440 -0.421 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nccn3cc(C)nc23)C1 1025664127 OZXJNMAQCIRQPX-TUVASFSCSA-N 385.424 -0.070 30 20 GBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CCO1 1065438850 ARMPBPQIYDENPU-UIBIWLFHSA-N 382.457 -0.026 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)N2CCC2)C1 1070294553 ZGPBBBLTABDNEA-DFGXFYAUSA-N 388.472 -0.167 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(CC(=O)N1CCNC(=O)C1)C2 1099031990 HWCKWPFOZLRWQX-QOIOWGMHSA-N 390.484 -0.493 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](NC(=O)COC)C(C)C 1111117432 VXYQEUOHJXRDNU-BSXFFOKHSA-N 378.473 -0.756 30 20 GBED CC#CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3C[C@H]3C(=O)N(C)C)n2)O1 1130804518 HZCXVUYAKKRIJB-BYNSBNAKSA-N 388.472 -0.022 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 1261154198 GAVGOVZOLSNJDU-OAHLLOKOSA-N 380.489 -0.103 30 20 GBED N#CCCN1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 1302597280 VLDJZJSPLGWTNG-MRXNPFEDSA-N 389.431 -0.214 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H](N)CCO3)C2)CCN1C1CC1 1329830038 AYQGNURKPUWGFE-ONIAQPFYSA-N 389.500 -0.070 30 20 GBED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H]3C[C@H]2C(=O)O3)cc1 1346197735 WTWQOEPDWCIHQF-NDMJEZRESA-N 377.378 -0.163 30 20 GBED CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@](F)(C#N)C3)CC2)nn1 1347027755 PPGKSKHAJGDIFS-QGZVFWFLSA-N 376.392 -0.012 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@H]2CCCSC2)CC1 1352393091 JREHJNNVVVNEHP-CYBMUJFWSA-N 385.519 -0.594 30 20 GBED C#CCO[C@H](C)C(=O)NC1(CO)CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 1588355419 IEEIXZUUUNUOLA-GFCCVEGCSA-N 386.416 -0.858 30 20 GBED C=C[C@@H]1OCCC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588717035 PPRILHLJQWPQPY-KGLIPLIRSA-N 392.441 -0.005 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)O)cc1 1588843640 CKQSDHBDJHTLTK-KBPBESRZSA-N 375.381 -0.023 30 20 GBED N#CC1(CNC(=O)C(=O)Nc2ccccc2-n2cnc(-c3nn[nH]n3)n2)CC1 1592668287 JLOKWKFTKICFIF-UHFFFAOYSA-N 378.356 -0.194 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CCC2OCCO2)C(=O)O)cc1 1602726238 MYLMITVWLJNDFZ-AWEZNQCLSA-N 396.421 -0.066 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)NC[C@@H]1COCCN1C 1602853825 JFRXSOBBYADJMR-MRXNPFEDSA-N 399.455 -0.172 30 20 GBED COC(OC)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014241 BMYKFAPPOARVHK-LSCADSNKSA-N 382.461 -0.093 30 20 GBED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1779017192 DPQUKTRPPRCTTC-YEWRBRKMSA-N 375.433 -0.280 30 20 GBED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1ncon1)CCO2 1779020297 JJLMZOAWCBYIPI-AEUYPJEVSA-N 376.417 -0.015 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1783173921 QACAUIHIAFYWMJ-LIRRHRJNSA-N 393.488 -0.377 30 20 GBED COc1ncc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1F 1783556914 FZHBHVPXXMIPKI-GOSISDBHSA-N 391.355 -0.239 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1[nH]nc3ncccc13)CCO2 1783562234 JRGFCBZABNSZJG-GOSISDBHSA-N 383.364 -0.511 30 20 GBED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2 1783906481 FHEAVTJNJREPPM-APWZRJJASA-N 379.457 -0.229 30 20 GBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=S)NC)[C@H]2C1 1788615992 WPFKBVHCTJHYAJ-KKUMJFAQSA-N 380.514 -0.137 30 20 GBED CC(=O)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797744180 UYNNADCURGXRRW-DUHNODEQSA-N 393.488 -0.426 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CSCC(=O)O)C3)c1 1798694637 CVCCAZUOAPKWSA-DRXBFXEBSA-N 392.437 -0.093 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2 1799395354 NMEAOLHQOKUMCC-AYDFFVQHSA-N 378.433 -0.331 30 20 GBED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCOCC2)n[nH]1 1817152736 YMWVCDRZQNVXSE-AWEZNQCLSA-N 389.412 -0.178 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831263569 DAAJCQYAANYLAV-KBXCAEBGSA-N 383.445 -0.830 30 20 GBED CN[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1)C(=O)O 1834605850 WFTCQMUBWIFFEC-INIZCTEOSA-N 393.488 -0.076 30 20 GBED C[C@@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839160157 OKLWGJPGSXYJBB-DYESRHJHSA-N 399.447 -0.371 30 20 GBED COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840165879 MNKFBGGZLVEWSD-ABAIWWIYSA-N 375.447 -0.883 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1840174325 WTANCXYGXSGOKZ-GOSISDBHSA-N 389.412 -0.778 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCn1cncn1)CCO2 1840357327 WWWXJRPFEGLOHG-KRWDZBQOSA-N 376.417 -0.572 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1840843579 VIZAVXYMDVOSJL-KXBFYZLASA-N 377.441 -0.523 30 20 GBED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 267578378 VOOUYEOKUOOVLB-UHFFFAOYSA-N 387.371 -0.415 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)CN1CCN(C)CC1 268812634 BHCOLUYIESKLNQ-CABCVRRESA-N 393.513 -0.023 30 20 GBED COCCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1=O 271148307 ZOKMRPUXAPYWKN-CYBMUJFWSA-N 394.453 -0.458 30 20 GBED N#Cc1cc(F)c(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(F)c1 274651569 DNDAQYSDGJAVET-KBPBESRZSA-N 385.392 -0.248 30 20 GBED Cc1nsc(N2CCN(S(=O)(=O)CCS(C)(=O)=O)CC2)c1C#N 290176860 QJUBYGDNJIIFEA-UHFFFAOYSA-N 378.501 -0.180 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCN2C(=O)CC[C@@H]2C1 349590170 LGKUKBVGQUSTQH-QWHCGFSZSA-N 392.503 -0.766 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1 409523519 UCVUZPFKIYPAEO-UHFFFAOYSA-N 388.490 -0.336 30 20 GBED COCCNC(=O)[C@H]1CC[C@@H](C)N(S(=O)(=O)N(CCC#N)CCOC)C1 409570162 KBHGBJKKQFNQKS-CABCVRRESA-N 390.506 -0.044 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCC[C@@H](CO)[C@@H]3C)CC2)c1C#N 414603852 WXCYNYSNNYFOIR-GJZGRUSLSA-N 388.472 -0.132 30 20 GBED Cn1nnc(CNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)n1 427929629 PHLMYSWJAXCLFU-UHFFFAOYSA-N 385.775 0.176 30 20 GBED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 485832248 QSIOHWLNPWGUBV-CQSZACIVSA-N 381.396 -0.087 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3C#N)CC2)CC1 495051884 XFJNTLXBXNACIH-UHFFFAOYSA-N 395.460 -0.053 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CCO1 519290877 ABLAGQFUKCTDRX-MRXNPFEDSA-N 386.408 -0.223 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCCCO)cc1 581499968 YRZFFCMDUVVMMC-UHFFFAOYSA-N 386.455 -0.225 30 20 GBED CN(C)c1n[nH]c(NS(=O)(=O)CCCS(=O)(=O)N2CC(CC#N)C2)n1 595965963 VRZWHNGKUMPKFN-UHFFFAOYSA-N 391.479 -0.822 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CC(N)=O 608911539 ILWNEOKYKNEHIQ-UHFFFAOYSA-N 384.461 -0.267 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 728589664 KCBNYQGIKFYNFU-UHFFFAOYSA-N 396.425 -0.341 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H]2CCN(c3ccccc3OC)C2=O)CC1 761025540 UWBIHLOLUHQNJO-MRXNPFEDSA-N 392.481 -0.114 30 20 GBED C#CCCN1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 762299534 VAOSKPJOUIKSMQ-UHFFFAOYSA-N 378.498 -0.366 30 20 GBED C[C@H](NC(=O)CON=C(N)c1ccc(N2CCC(O)CC2)cc1)C(=O)N(C)C 762765939 CKFJXYHMYBVINM-ZDUSSCGKSA-N 391.472 -0.123 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NC[C@H]2CCCO2)c1 769827485 ABPMIHXGIOWRLW-CYBMUJFWSA-N 381.410 -0.325 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H]2COc3ccccc3O2)CC1 831579547 HGQOHSYKDLPXDK-CQSZACIVSA-N 379.438 -0.172 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C)C[C@H](C(=O)OC)C2)c1 840499544 FSVPZIRHOMMMLQ-HNNXBMFYSA-N 393.465 -0.225 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H]1CC(C)(C)OC1=O 848956719 AJEYKWYLENDZIG-VXGBXAGGSA-N 395.503 -0.094 30 20 GBED C#CC[C@@H](NC(=O)c1cccc(C(=O)N[C@H](CC#C)C(=O)OC)c1N)C(=O)OC 854910063 NVDNZSRGQGPCQW-HUUCEWRRSA-N 399.403 -0.142 30 20 GBED C#CC1(O)CN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 934444430 AIGOQQSAKKQOLL-UHFFFAOYSA-N 379.438 -0.674 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)Cc3nonc3C)C[C@@H]21 960977260 HTPIAZVQLGJEFQ-SYAUCNOPSA-N 376.413 -0.050 30 20 GBED C#CCN1CCC(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3OCC[C@H]3CC)C2)CC1 968372966 WIMWGSQAEXUCBT-BGTYHANMSA-N 377.485 -0.165 30 20 GBED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2ccc(O)nc2=O)[nH]1 1003834307 ODHHBMIQZNBXNU-BNOWGMLFSA-N 382.380 -0.289 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1O 1023914132 WTQCONMROKTPMJ-XNISGKROSA-N 392.456 -0.603 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(CCOC)c2)C[C@H]1O 1025710460 QGAIZBBKOZMYPJ-FPCVCCKLSA-N 378.429 -0.578 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@@H]1COC(=O)C1 1109149633 HJOOZZXLJGORJN-CRWXNKLISA-N 378.429 -0.327 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccnn1Cc1ccccn1 1116541701 HCOWNLGIVAMSHD-UHFFFAOYSA-N 377.426 -0.018 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)CCO1 1320004647 VNTGJMRXRBUMAX-CYBMUJFWSA-N 389.416 -0.630 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCC[C@@H](C)CO)CC2)c1C#N 1323966564 VXSMUYZWCZEYIS-CYBMUJFWSA-N 376.461 -0.226 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N(C)CCN1CCCC1 1325401353 OMPBLTVNEDNNJS-HNNXBMFYSA-N 385.472 -0.060 30 20 GBED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1C[C@H]2CC[C@@H](O)C[C@H]2C1 1327578643 JEQYOEKTXRARTK-HZSPNIEDSA-N 379.504 -0.368 30 20 GBED CN1CCN(CCCN(C)C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1332042748 WMSFDBCTELNBHG-KRWDZBQOSA-N 376.505 -0.719 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1347199734 HLPPJQNEHLNALB-UHFFFAOYSA-N 391.453 -0.681 30 20 GBED C=CCCSCCNC(=O)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 1347654515 GFAZZIVUQMZZKS-UHFFFAOYSA-N 384.502 -0.391 30 20 GBED C=C[C@@](C)(O)CC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573309590 LIOYULWEFHGFPY-IAGOWNOFSA-N 389.416 -0.785 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)O)ccc1F 1573368032 GYHMUKOFPGSXAU-LBPRGKRZSA-N 399.400 -0.343 30 20 GBED C#CCN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CCN(CC(=O)N(C)C)CC1 1588348997 XRPNFIIWYNKOGX-UHFFFAOYSA-N 384.444 -0.177 30 20 GBED C=C[C@@](C)(O)CC(=O)N(CCO)CCNc1ncc(-c2nn[nH]n2)cc1F 1588498914 FFCDJSFBUMNLIT-MRXNPFEDSA-N 379.396 -0.039 30 20 GBED C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H]1CNCC(=O)NCC#N 1590261356 OUMSWINWVJUQGQ-RISCZKNCSA-N 385.432 -0.335 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](Cn1ccnc1)C(=O)O 1601279019 DQUOGTYPCAXXIH-LBPRGKRZSA-N 391.409 -0.419 30 20 GBED O=C(O)[C@H]1CS(=O)(=O)CCN1CC#CCN1C(=O)c2ccccc2C1=O 1601854582 PZIOZAJJIGAQJI-CQSZACIVSA-N 376.390 -0.530 30 20 GBED C=CCCOCC(=O)NC[C@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)CCO1 1602844188 LIOFSVKBFLZIJM-ZDUSSCGKSA-N 388.432 -0.121 30 20 GBED Cn1c(=O)[nH]c(N2CCC(c3ccc(-c4nn[nH]n4)cn3)CC2)c(C#N)c1=O 1606203146 WTMZKNPWAWRNEI-UHFFFAOYSA-N 379.384 -0.096 30 20 GBED N#Cc1cccc(CC(=O)N2CC(n3cc(-c4nn[nH]n4)c(O)nc3=O)C2)c1 1606379860 GDKSSMXTRLPPKL-UHFFFAOYSA-N 378.352 -0.373 30 20 GBED N#Cc1ccc(N2CCN(C(=O)Nc3ccc(=O)n(CC(N)=O)c3)CC2)cn1 1672912266 SGJSSQOIATVCKB-UHFFFAOYSA-N 381.396 -0.046 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cc[nH]n3)C2)C1 1782786938 MUNURYQBJQDJOY-LLHWWHOWSA-N 387.440 -0.360 30 20 GBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2 1783915323 ACPSUPLVBZLZCL-QAPCUYQASA-N 382.413 -0.113 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCCNC)[C@H]2C1 1786851287 BTYUCODBQIRODR-RIGXYXMPSA-N 392.500 -0.176 30 20 GBED N#CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1826324707 HSZLHZBDGFFSCN-QGZVFWFLSA-N 380.489 -0.194 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1831390988 CMUANHNQHKLZHM-UZLBHIALSA-N 394.468 -0.092 30 20 GBED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC(N)=O)CC2)CC1 1833468780 FZVVBIXCBJEXFT-HNNXBMFYSA-N 392.500 -0.138 30 20 GBED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834761055 QFWUCNANGDKYIX-KDOFPFPSSA-N 380.445 -0.339 30 20 GBED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ncon3)CC2)CC1 1838508174 VEMKNSYQKWXGFM-UHFFFAOYSA-N 376.369 -0.230 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1839158628 MCZOILXIYKEMRB-DAYGRLMNSA-N 383.445 -0.832 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]1(F)Cl)CCO2 1840247612 DEORITKEWZEHDL-UVBJJODRSA-N 388.779 -0.545 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](CO)[C@H]1CCOC1 280575680 WKKAFFUSVNZEIZ-AEGPPILISA-N 381.454 -0.014 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC(=O)N(CCC(F)(F)F)C2)C1=O 295969541 OIKBRWPUIHQODL-UHFFFAOYSA-N 376.291 -0.456 30 20 GBED Cn1c(NCC2CCN(CC(=O)NC(C)(C)C)CC2)c(C#N)c(=O)n(C)c1=O 301526301 HVEOPFCPFHKETF-UHFFFAOYSA-N 390.488 -0.006 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C 329701066 HFSTXAMUVCSWOY-UHOFOFEASA-N 378.454 -0.234 30 20 GBED Cc1cnn(CCC(=O)N2CCN(C/C(O)=N/[C@@H]3CCS(=O)(=O)C3)CC2)c1 329766670 YLPBIUPTEYMJDB-OAHLLOKOSA-N 397.501 -0.131 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@](C)(C(N)=O)C1 349490913 HGQUKURXUAXEDM-YPMHNXCESA-N 380.492 -0.923 30 20 GBED CSc1n[nH]c(NS(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)n1 349496900 HTWMEOKGQPVFFW-UHFFFAOYSA-N 380.477 -0.556 30 20 GBED CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(O)(C2CC2)C1 349501252 GLKYNLNWFLVWBI-HNNXBMFYSA-N 391.515 -0.225 30 20 GBED C=CCN(CCOC)C(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 410909509 LSYCHYJUSUOIMR-UHFFFAOYSA-N 387.444 -0.327 30 20 GBED C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 420064580 OTPJSMZNRSXVIN-ZFWWWQNUSA-N 386.456 -0.169 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCCO[C@@H](CN)C3)CC2)cc1 423012362 KMVOUPYAGYKLDK-SFHVURJKSA-N 385.468 -0.221 30 20 GBED C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C[C@@H]1CN 423544023 NUXOIAJDJXDOPB-KFWWJZLASA-N 385.472 -0.171 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(CC(N)=O)C2)cc1 485234647 DQJFGAUJIVGJIE-UHFFFAOYSA-N 394.453 -0.235 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@](C)(C#N)COC)c1 532903593 IIYOKYXIKGDQRZ-INIZCTEOSA-N 384.458 -0.076 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2nc(SCCO)n[nH]2)cc1 576854168 YADDGVMRBGFJTJ-UHFFFAOYSA-N 382.427 -0.322 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC3(CC2)CNC(=O)C3)cc1 578686501 OQOXQVAVYLDYRC-UHFFFAOYSA-N 376.438 -0.035 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)CC2)nc1 590981621 ZJMQCWQSVABCKR-HOTGVXAUSA-N 396.451 -0.129 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC2(CO)CC2)cc1 594625115 QGQKQCNLPBBACI-UHFFFAOYSA-N 398.466 -0.225 30 20 GBED CO[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)N2CCSC[C@H]2C#N)C1 600766559 LWUHIEAEHKCVRT-JHJVBQTASA-N 397.544 -0.256 30 20 GBED Cn1c(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C#N)c(=O)n(C)c1=O 610131463 ULVXIANVZIMYQG-UHFFFAOYSA-N 398.379 -0.174 30 20 GBED Cn1cc(S(=O)(=O)NN=C2CCN(C3CCCC3)CC2)c(=O)n(C)c1=O 771888698 FPGBKSNHMBKUGR-UHFFFAOYSA-N 383.474 -0.243 30 20 GBED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCOCC2)cc1F 813661047 ZHYRUMYEWIUUGU-UHFFFAOYSA-N 377.419 -0.362 30 20 GBED Cn1cc(S(=O)(=O)NN=C2COc3ccc(Cl)cc32)c(=O)n(C)c1=O 814883212 DYCLAZDZAGDIIB-UHFFFAOYSA-N 384.801 -0.188 30 20 GBED C#CCNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 860102521 QILHHBBHJOPVIV-UHFFFAOYSA-N 380.422 -0.262 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)N2CC(NS(C)(=O)=O)C2)ccc1F 862840755 RFDIUXWXVOOWCH-UHFFFAOYSA-N 391.446 -0.336 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 875600065 OVRVXVQNOHSSGR-QGZVFWFLSA-N 392.500 -0.456 30 20 GBED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@H]2CCS(=O)(=O)N2)c[nH]1 996629750 XIRLRAMNGQAJIU-MQYQWHSLSA-N 377.426 -0.560 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccnc2c1nnn2C 1109646015 FAKODFHAXJHSNB-UXOAXIEHSA-N 381.440 -0.164 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nnn(C)n1 1111462072 DKIQAXIFUPPRSM-UPJWGTAASA-N 376.465 -0.305 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 1117391335 PGMUAPGJBZMPAG-UHFFFAOYSA-N 399.494 -0.217 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CCO1 1117490028 FTWBZHHNUSQUJA-HOCLYGCPSA-N 386.408 -0.467 30 20 GBED C[C@H]1CN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CCN1c1nccn2cnnc12 1117904316 BIVSZDBIYLTLJF-YVEFUNNKSA-N 386.391 -0.374 30 20 GBED N#C[C@H](C(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)N1CCS(=O)(=O)CC1 1122408731 OLWKXTIJBWGMAS-ABAIWWIYSA-N 391.405 -0.258 30 20 GBED C[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(CC(=O)NCC#Cc3ccccc3)C[C@@H]2O)O1 1220387984 WXAQEQUKMUOUCJ-OQIJWPOYSA-N 385.464 -0.117 30 20 GBED N#CCN1CCC(NC(=O)C(=O)NCCN2C(=O)COc3ccccc32)CC1 1323232910 OCXKTQUYHJTLAO-UHFFFAOYSA-N 385.424 -0.368 30 20 GBED COCCN(Cc1c(C)nn(C)c1C)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326229042 IOFDXOBLURCYRJ-SFHVURJKSA-N 377.445 -0.111 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)n(CCC#N)n1 1329819744 YJLHHFIXTUMYLH-LBPRGKRZSA-N 382.446 -0.416 30 20 GBED C#CCN1CCC(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[nH]n3)cn2)CC1 1573283864 WZRMCFJBRIWBNE-HNNXBMFYSA-N 384.444 -0.504 30 20 GBED C[C@@H](C#N)C(=O)N1CC2(CC[C@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)O2)C1 1573562303 SEHLXGZQCMVGJE-CMPLNLGQSA-N 384.400 -0.156 30 20 GBED C=CCNC(=O)Cn1c(C2CCNCC2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1574936553 MPTFCBMGBFEFLL-CQSZACIVSA-N 388.476 -0.739 30 20 GBED C=C[C@@H](CC)CC(=O)N[C@]1(CO)CCCN(CC(=O)NCc2cnn[nH]2)C1 1575071914 CMVGNXGOSQRTJK-KBXCAEBGSA-N 378.477 -0.034 30 20 GBED C=CCCOCC(=O)N[C@@H]1CC[C@@H](C)N(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575100036 KIOWIOABFWPPSX-ZIAGYGMSSA-N 392.460 -0.101 30 20 GBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588352984 CNZCKNPWZWRVJW-OLZOCXBDSA-N 384.444 -0.083 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCO)CCN=c1cc[nH]c(-c2nn[nH]n2)n1 1588436952 WKJXFYRYILPLBC-JSGCOSHPSA-N 388.432 -0.707 30 20 GBED C=CCCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 1588608819 QVRGXEHHJACPPP-SJCJKPOMSA-N 388.432 -0.305 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(c2cnccc2-c2nn[nH]n2)CC1 1588658188 AWIMYAUOKALXEU-LBPRGKRZSA-N 385.432 -0.216 30 20 GBED C=CCn1cc(C(=O)NC[C@H](CO)NCc2ccccc2-c2nn[nH]n2)nn1 1588713820 VKYKPBXHEVKDRV-CYBMUJFWSA-N 383.416 -0.475 30 20 GBED CCc1nc(-c2nn[nH]n2)cc(N2CC[C@@](O)(CNC(=O)C#CC3CC3)C2)n1 1590906179 WHMKPOPMNHYQMO-GOSISDBHSA-N 382.428 -0.310 30 20 GBED COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C(=O)N1CCO[C@@H](C#N)C1 1591426554 GQHTZWDNEKHYAJ-HNNXBMFYSA-N 399.411 -0.407 30 20 GBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cn1 1602737478 SMCRRKKZOVKZJW-CABCVRRESA-N 392.379 -0.814 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)cn3)C[C@H]2O)cn1 1602740026 UVWZYGATXVWKKJ-HUUCEWRRSA-N 376.380 -0.383 30 20 GBED C=CCOC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1)C(=O)O 1602915134 DSBJTMOYJLQVLF-LBPRGKRZSA-N 378.428 -0.471 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@](C)(C(=O)O)C2)CC1 1609398868 PANQDIFOGTVPHU-SFHVURJKSA-N 380.445 -0.854 30 20 GBED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H](CO)[C@@H](O)C2)CC1 1646102259 WNVKTNGAVMNKTO-JQHSSLGASA-N 376.432 -0.180 30 20 GBED COC(=O)C1(C#N)CCN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 1655318834 NMXCSIWPDASQHW-LBPRGKRZSA-N 378.472 -0.080 30 20 GBED CS(=O)(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779137517 QEKPFWJIAZMBEF-WENWWWKYSA-N 397.453 -0.427 30 20 GBED CN[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)ON=C(C)C)C2)C1)C(=O)O 1781400248 KDONNZGFMSYKDZ-PMUMKWKESA-N 398.460 -0.320 30 20 GBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)CCO2 1783048879 NNGDPPLFTWDJGX-SFHVURJKSA-N 391.449 -0.297 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]n3)[C@H]2C1 1787218298 NJAATVJQWKYKCY-JJVDHKILSA-N 388.428 -0.744 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC)C(=O)O)C2 1793819990 IYEKRHRDOZTIST-OQMKEHIESA-N 385.486 -0.442 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCNC2=O 1795347662 MLQWXSHWGHIRFK-XQLPTFJDSA-N 399.451 -0.083 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOCC2)C3)CC1 1795408319 VWBKQAGNJSYAQE-SCAQPMJSSA-N 376.457 -0.398 30 20 GBED N#CCCC(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804345491 YTKXZAMQPBVURN-CPUCHLNUSA-N 398.423 -0.011 30 20 GBED CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812876148 CPBSMSBWXLURMZ-CXAGYDPISA-N 393.421 -0.780 30 20 GBED COCCOCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831213681 ZFTAZFORDGYVFM-IBGZPJMESA-N 380.441 -0.481 30 20 GBED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831218717 CYZFJFVTYUABOZ-JXFKEZNVSA-N 389.452 -0.523 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csnn3)C2)C1 1831388473 UFMFERUEKZWKQN-DYVFJYSZSA-N 394.453 -0.354 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1831402544 KAICLNDWPIBAST-PNEQDHBUSA-N 394.424 -0.488 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCCN3C)CCO2)C1 1832056627 SRIIJFLOVANPBB-FUHIMQAGSA-N 393.484 -0.425 30 20 GBED N#CCC(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)CC1 1834401472 IANPYPMMSQTHPL-CQSZACIVSA-N 375.473 -0.002 30 20 GBED N=C(N)SCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1835504737 ORQWMMYSWNMIFE-KRWDZBQOSA-N 380.470 -0.517 30 20 GBED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN)C3)C2)c1 1838581737 LULIULQTGMUQLG-LJQANCHMSA-N 388.424 -0.404 30 20 GBED CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839861591 GUMKJKZZKPJQOQ-SFHVURJKSA-N 378.429 -0.727 30 20 GBED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)n1cccc1 1840355113 QTAHJVASEGCGKG-KXBFYZLASA-N 389.408 -0.407 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCCC1)CCO2 1840940999 PJJPOFJTTFLYMF-LJQANCHMSA-N 393.440 -0.983 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)NCC=C)c1 16557851 ZACLDHFUPIMRBO-UHFFFAOYSA-N 379.394 -0.233 30 20 GBED COC(=O)CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 263849387 MVWRIIOFSXTRES-UHFFFAOYSA-N 394.453 -0.456 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 292351694 PZMNNSGQDNLMLW-PBHICJAKSA-N 378.473 -0.493 30 20 GBED C=CCN(C(=O)CCNS(=O)(=O)c1cccnc1)[C@H]1CCS(=O)(=O)C1 299164303 QEWRTCJVNUUWKM-ZDUSSCGKSA-N 387.483 -0.048 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3cccnc3)CC2)C1=O 299545672 PVGCSWIXFRTJLD-UHFFFAOYSA-N 385.380 -0.657 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O 349454389 GQTAVUVHMIORJC-WUHRBBMRSA-N 392.503 -0.876 30 20 GBED CN1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C2(C#N)CCC2)CC1=O 349468533 VBMSUFKRVJHVKR-UHFFFAOYSA-N 378.476 -0.854 30 20 GBED CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1=O 363798078 PGZVWNKMMNSDDV-CYBMUJFWSA-N 395.379 -0.270 30 20 GBED N#Cc1cccc(OC2CCN(C(=O)C(=O)NCCN3CCNCC3)CC2)c1 419861961 FTUPRDFCUHPDQB-UHFFFAOYSA-N 385.468 -0.051 30 20 GBED CCCN(C(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)[C@H]1CCNC1 423641033 ARBRSBWVXKTKLI-HNNXBMFYSA-N 387.488 -0.151 30 20 GBED CN(CCC#N)S(=O)(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 443179251 VRKJQWAFRYBYQE-ZDUSSCGKSA-N 382.442 -0.009 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCN1CCOCC1 460610288 YTRCXPQVMXGKTE-UHFFFAOYSA-N 383.412 -0.166 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)c3ccc(S(N)(=O)=O)o3)CC2)c1C#N 471710915 FBQYEEVQOOOTPO-UHFFFAOYSA-N 378.414 -0.197 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCS(=O)(=O)C1 482135412 FAGWTXDIKHGNIZ-AAEUAGOBSA-N 385.467 -0.082 30 20 GBED CCOC(=O)[C@@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 563420523 RZGXQWSSYTVSAU-NSHDSACASA-N 389.455 -0.034 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C 581570012 CIROLRHRIOJKFS-OLZOCXBDSA-N 381.524 -0.427 30 20 GBED COC1(CO)CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 594532535 BOCCEMXLXGPHIA-UHFFFAOYSA-N 387.440 -0.398 30 20 GBED N#Cc1cnn(-c2ccc(C(=O)N3CCN(S(N)(=O)=O)CC3)cc2)c1N 609517204 RWFBTKYIWJZBKZ-UHFFFAOYSA-N 375.414 -0.713 30 20 GBED CS(=O)(=O)N1CCN(CCNC(=O)C(=O)Nc2ccc(C#N)cc2)CC1 609811531 IMWOYQXKKQKROL-UHFFFAOYSA-N 379.442 -0.810 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 728533811 ALTSKAAJKHQDTP-UHFFFAOYSA-N 377.466 -0.094 30 20 GBED C[C@H](OC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC(N)=O 745495343 HICYLCFHOCNRRD-BDAKNGLRSA-N 382.398 -0.370 30 20 GBED COC[C@](C)(CC(=O)OC)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 749428216 MFZCDJLTEUQOEZ-INIZCTEOSA-N 383.426 -0.191 30 20 GBED C[C@@H](NC(=O)CON=C(N)c1ccc(N2CCC(O)CC2)cc1)C(=O)N(C)C 762765936 CKFJXYHMYBVINM-CYBMUJFWSA-N 391.472 -0.123 30 20 GBED C#C[C@@H](NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1)[C@H]1CCCO1 805367176 ZQESTTJCFPZVGQ-HZPDHXFCSA-N 378.473 -0.658 30 20 GBED O=C(N[C@H]1CCCN(O)C1=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 816758906 ABQZUVOJVKAJJR-NSHDSACASA-N 388.471 -0.138 30 20 GBED Cc1cc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c(C#N)cn1 819919027 HGHVGWONASTVTK-CQSZACIVSA-N 384.483 -0.099 30 20 GBED CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@](C)(C#N)CC(=O)O)CC1 820032683 CHCMTZJMYPJVBJ-HNNXBMFYSA-N 375.447 -0.110 30 20 GBED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 821586035 GMKJEUVXVKXTML-UHFFFAOYSA-N 380.416 -0.080 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)[C@H](CO)NC(=O)c3cccc(F)n3)CC2)c1 845140199 MTCDMSDPLFBQEX-HNNXBMFYSA-N 398.398 -0.073 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC2(C1)OCCO2 848956678 ZOJDLLVVJXIXJG-UHFFFAOYSA-N 387.439 -0.374 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCN4CCOC[C@H]4C3)CC2)cc1 867491321 PSKPYBPRRQEVPO-GOSISDBHSA-N 383.452 -0.250 30 20 GBED C=C1CC(C)(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 960949311 VMEJFPWMHPZGFQ-BYNSBNAKSA-N 377.441 -0.186 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3nc(C)n(C)c3=O)C[C@H]21 975260035 FBQHYECSQRSAQL-FPCVCCKLSA-N 389.456 -0.459 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@@H]2C1 986341292 FTPFEZKIJPCCPC-QXSJWSMHSA-N 389.456 -0.520 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1C 994647434 OOBBZLLAVITOKV-TUVASFSCSA-N 377.441 -0.063 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(O)nn2)C1 1022984084 JRUPZJMTMCJUQJ-DCDXPUDHSA-N 376.413 -0.145 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1O 1023962210 RMQLKLCVNGNIQG-NGFQHRJXSA-N 376.413 -0.937 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCCNC(=O)C1 1119060942 IYWVCWFEFCESHO-LBPRGKRZSA-N 380.492 -0.908 30 20 GBED Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1NCC(=O)NCC#N 1131035551 GNXJQUZFFSAXOP-MNHMMDCCSA-N 398.467 -0.633 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCn4cnnc4C3)CC2)nc1 1326377495 CDGPKBQRJYBBCC-UHFFFAOYSA-N 380.412 -0.328 30 20 GBED N#C[C@@]1(F)CCN(C(=O)C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)C1 1353828499 YIQUAMZVKGDDGY-QAPCUYQASA-N 381.452 -0.637 30 20 GBED C#CCO[C@@H](C)C(=O)NC1(CNc2ccc(-c3nn[nH]n3)nn2)CCOCC1 1573287029 KPLLZLSDFIZNMQ-LBPRGKRZSA-N 386.416 -0.228 30 20 GBED C#CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)CN(C)CCC)CC1 1575005244 YCAGOJSFDDMWCK-UHFFFAOYSA-N 389.504 -0.311 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@H]2CN(CC(=O)NCc2cnn[nH]2)C3)nc1 1575022622 QOUSJDIAAGPGPN-HOTGVXAUSA-N 379.424 -0.214 30 20 GBED Cc1c(I)cn(CC(=O)NCC#N)c(=O)c1-c1nn[nH]n1 1591822158 AGMUKUNAAWHHIZ-UHFFFAOYSA-N 399.152 -0.419 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C[C@@H]2O)nc1 1602736583 ANYZXMSRSIUQHF-DOMZBBRYSA-N 391.395 -0.597 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C[C@@H]2O)nc1 1602736586 ANYZXMSRSIUQHF-WFASDCNBSA-N 391.395 -0.597 30 20 GBED C=CCCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1602844206 LRCWUPJMOQRAQB-LBPRGKRZSA-N 389.416 -0.255 30 20 GBED C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCO1 1609018723 DRQIYXLARRULRV-ZIAGYGMSSA-N 390.425 -0.558 30 20 GBED CCN(CCC#N)S(=O)(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 1609223960 WKABTENZBJWTTL-UHFFFAOYSA-N 391.461 -0.136 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1783179746 WMBORYFTGDWQQO-LIRRHRJNSA-N 395.456 -0.150 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCNC(=O)c1ccc[nH]1 1794308889 IOMKOWCHBRWLLF-BTTYYORXSA-N 386.408 -0.139 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2 1799389514 NVJYVOBJXRGBJL-LBKYZSNHSA-N 394.472 -0.097 30 20 GBED N#CCC(=O)N1CC[C@@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812713190 IFCOGRRNOXJDHD-QFBILLFUSA-N 389.456 -0.712 30 20 GBED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1829856574 MNLQGWPFWVILRB-HNAYVOBHSA-N 392.456 -0.339 30 20 GBED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1831345640 LKWQHBIVDDABQX-WFASDCNBSA-N 394.515 -0.804 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1831401599 CQVGPDYTXVNEGG-WNSDDWSPSA-N 392.452 -0.627 30 20 GBED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)n1ccnn1 1835346827 WBUIDAOTVFRRTE-RDTXWAMCSA-N 388.428 -0.401 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1835358611 HGNTXHQSIHZCDW-KRWDZBQOSA-N 378.385 -0.459 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)[C@H](C)CC)CCO2 1835589334 RYHUFLWFGMLCNH-VIPLHTEESA-N 395.500 -0.146 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1837402814 FLOVCVVUNASLKG-KUHUBIRLSA-N 397.472 -0.719 30 20 GBED CN(C)C(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838734597 FCRPWKICJPFZPI-GOSISDBHSA-N 389.412 -0.955 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4nccn4)C3)C2)c1 1838738741 ADFABKGONZRRPY-GOSISDBHSA-N 399.411 -0.752 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042421 UWCLPYXTQZDMPE-AUUYWEPGSA-N 394.424 -0.896 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCCC23CN(C(=O)CNCP(=O)(O)O)C3)c1 1844795545 XSYDFBOXQXKGDV-UHFFFAOYSA-N 381.329 -0.572 30 20 GBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1846195951 UIPRTWXOGAIMRN-UHFFFAOYSA-N 381.344 -0.274 30 20 GBED N#Cc1cc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)ccc1Cl 275964100 TXOLIUDGKJYAMB-LLVKDONJSA-N 375.772 -0.681 30 20 GBED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 283428837 YEKZSWPPOAQBNK-LBPRGKRZSA-N 375.433 -0.861 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H]3C[C@H](C(=O)OC)O[C@H]3CC[C@H]2C)C1=O 283711808 WZBSBDJUQCXYQG-MROQNXINSA-N 393.396 -0.327 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCN(CC)S(C)(=O)=O 285405479 ICCHUCKNAMBHEE-ZIAGYGMSSA-N 375.491 -0.128 30 20 GBED CN1C[C@H]2CN(S(=O)(=O)c3ccccc3S(=O)(=O)NCC#N)C[C@H]2C1 349482194 QQXSBQBDPATXFZ-BETUJISGSA-N 384.483 -0.329 30 20 GBED C[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(CC#N)CC#N)C[C@@H]1O 349482473 RZIKSXMNPSALCL-STQMWFEESA-N 398.466 -0.274 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@H](F)C2)n1 349503821 LMJIUWJXKPBAFJ-NSHDSACASA-N 379.439 -0.203 30 20 GBED CNC(=O)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cccc(C#N)n1 349534874 UMKIBVDHFDLMFI-UHFFFAOYSA-N 389.459 -0.907 30 20 GBED C[C@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)N1CCCn2ncnc21 349618166 QHNMXMWYSIDIBX-LLVKDONJSA-N 376.464 -0.570 30 20 GBED C[C@H]1CN(c2ccc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)cn2)CCO1 409585043 NTLAAJARKVGAJY-ZFWWWQNUSA-N 381.458 -0.135 30 20 GBED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCO1 410586252 CNAFJJWWGVNMSF-DLBZAZTESA-N 399.451 -0.804 30 20 GBED Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 530272927 UVLYTJCNLKCYFW-SFHVURJKSA-N 385.380 -0.875 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 553328199 ILZGQOVZNKJRNU-INIZCTEOSA-N 398.529 -0.221 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCCn2cncn2)cc1 594627339 WVDAGTRFFGNQGP-LBPRGKRZSA-N 398.470 -0.163 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)nc3c2c(O)nn3C)CC1 733149549 KAQQEZVZCLROCC-UHFFFAOYSA-N 384.440 -0.120 30 20 GBED COC(=O)[C@@H]1COCCN1C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 752678687 OOURVTWTNIOAGZ-AAEUAGOBSA-N 395.437 -0.096 30 20 GBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 756751514 WQZRTEZDWOONNA-ZUZCIYMTSA-N 383.430 -0.561 30 20 GBED COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@@H](C)C(=O)N(C)CCC#N)c1 764028713 YSODVCANYZCLIQ-NSHDSACASA-N 386.430 -0.143 30 20 GBED C#CCNC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 782343247 VUFDOAVJDVWHLR-OCCSQVGLSA-N 384.385 -0.758 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(-n2cnnn2)c(C)c1 783347598 RCSCGZSHVQXAAA-UHFFFAOYSA-N 378.414 -0.374 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 783348167 YFJMIUKPNVCMOE-UHFFFAOYSA-N 379.394 -0.432 30 20 GBED C#CCOCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 784549849 KFHCGBRTFUDFFH-UHFFFAOYSA-N 384.414 -0.956 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NC2(CO)COC(C)(C)OC2)cc1 791233813 JWLOBALRTAYPEF-UHFFFAOYSA-N 382.438 -0.158 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CC[C@H](N3CCOC3=O)C2)CC1 850691851 JUVVYTHLWNSCNC-HNNXBMFYSA-N 398.423 -0.345 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 854807610 ZUIQGDLPJAGHPH-GFCCVEGCSA-N 395.437 -0.006 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@@H]1O 964489955 ORERCCOLGHFLMW-XFMPKHEZSA-N 377.397 -0.339 30 20 GBED C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C)CC1 988505614 BBABBXGTHMYCGS-BSWAZPDLSA-N 390.484 -0.530 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nccnc2C(N)=O)c1 996007877 ROQZIMTVLLVTJT-MDZLAQPJSA-N 379.380 -0.049 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CC(=O)N(C)C1=O 1006385037 XRXDLZQUXJCFEY-ZSAUSMIDSA-N 390.440 -0.280 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@H]1O 1023960634 QLEUCTUOWHFLRM-DZUCGIPZSA-N 389.456 -0.175 30 20 GBED CCO[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CNc1nccnc1C#N 1047945572 MPUDGEGQEXZCPM-FAAHXZRKSA-N 388.428 -0.343 30 20 GBED N#Cc1ccc(C(=O)N(CCO)CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)[nH]1 1057369008 QSRDLKCSWVUMKX-DUVNUKRYSA-N 376.413 -0.511 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2cc(=O)n(C)c(=O)n2C)[C@@H]1C 1088868765 XFYMFORIJMZUTG-OJLVUWQFSA-N 376.457 -0.246 30 20 GBED N#Cc1c(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cccc1S(N)(=O)=O 1116727565 YHJKRRKMORLZJB-GFCCVEGCSA-N 384.483 -0.485 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([S@](=O)CC)C1 1117535344 NLWKFXSIZLCBHT-NSCUQIJASA-N 378.516 -0.101 30 20 GBED CCN(CCO)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 1118308024 SAQFMPMLAYXLMF-ZDUSSCGKSA-N 396.469 -0.259 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C[C@H]1C 1215525090 BIOIDUTXVLFWRG-VQHPVUNQSA-N 390.484 -0.658 30 20 GBED N#CC1(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCOCC1 1318540433 JTJDKVYXBYSDPT-UHFFFAOYSA-N 392.437 -0.390 30 20 GBED N#Cc1ccc(OC2CN(C(=O)C(=O)N[C@@H]3CCCS(=O)(=O)C3)C2)cc1 1322774438 PJBHBKFSBZGBGO-CYBMUJFWSA-N 377.422 -0.159 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O)C(C)(C)C 1323155863 QLOQWQAXGAJLNP-ZDUSSCGKSA-N 381.454 -0.005 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CCN1C1CC1 1331031861 XTJPTCONMSSTJP-HOTGVXAUSA-N 389.456 -0.919 30 20 GBED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)CC1 1348131771 ZEWOMZJJKLRGHH-LIRRHRJNSA-N 375.473 -0.050 30 20 GBED CN(C)C(=O)O[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1351849941 WFRBXOFMDABCAK-LSDHHAIUSA-N 377.445 -0.126 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc(COCC)n1CC(=O)NCC(F)F 1574966861 JATAOODGUZRCJX-UHFFFAOYSA-N 382.375 -0.046 30 20 GBED C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](NC(=O)C2CCN(Cc3cnn[nH]3)CC2)C1 1575066393 SAYOREUOALDXIC-CVEARBPZSA-N 390.488 -0.083 30 20 GBED C=CCCn1cc(C(=O)NCCN(C)c2nc(C)cc(-c3nn[nH]n3)n2)nn1 1588620662 AZDFSHBCGFZRKC-UHFFFAOYSA-N 383.420 -0.001 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)C1 1610618890 BFWMDHLRLFYSHE-QGZVFWFLSA-N 376.344 -0.167 30 20 GBED N#Cc1cn(CCC(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)c(=O)nc1O 1622096479 PJJREPGFAMUBJH-LSDHHAIUSA-N 375.429 -0.030 30 20 GBED O=C1NC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)O1 1779134617 LQYRUJOOPSBOFI-YXEMYWMOSA-N 390.396 -0.363 30 20 GBED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781040443 OVNYCSAIOPNVNH-BXWFABGCSA-N 381.473 -0.478 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1781391263 SCCLPEHNHYGYBL-PMUMKWKESA-N 380.445 -0.104 30 20 GBED CN(C)c1ccncc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783556907 FWAXGVVZSOTOTF-IBGZPJMESA-N 386.408 -0.321 30 20 GBED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN(C)C(=O)C(=O)O)CCO2 1783909641 VVTWIZUKZAETNF-SFHVURJKSA-N 379.413 -0.837 30 20 GBED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCNC2=O 1794975321 QGVSTXRCMGDZNL-ZSBFGKGUSA-N 399.451 -0.367 30 20 GBED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCN(C)CC2)C1 1797233795 BBNAEIZKRJQXGR-IZZQQSIFSA-N 376.501 -0.210 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3[nH]ccc3n1)C2 1800777366 RAGUIHKFULJMSK-KSPBDQMDSA-N 382.376 -0.146 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CNC(N)=O)[C@@H]1c1cccnc1 1803554492 IEVFMUGEAAXIIQ-FRFSOERESA-N 387.440 -0.206 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1810248735 SCOCACAJUZLKCZ-KKUMJFAQSA-N 377.441 -0.029 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CN)sc2C1 1817065481 QNAQMRXQMGTRCO-QWRGUYRKSA-N 393.517 -0.377 30 20 GBED C=CC(=O)N[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1820148442 LIKNWWIUORKFAT-ZJUUUORDSA-N 390.421 -0.166 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CC(O)C2)CCO3)c1 1830585540 KDHGZVPLZIAIOG-JFIBYHEFSA-N 388.424 -0.273 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(OC)OC)CCO2 1831028309 FQENRPGTLBVGSE-KRWDZBQOSA-N 388.486 -0.019 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1noc(C(C)C)n1)CCO2 1832792230 YWMXPXXGYLMBNY-SFHVURJKSA-N 376.413 -0.175 30 20 GBED Cn1nc2c(c1C(=O)N1CCOC[C@]3(CN(C(=O)CC#N)CCO3)C1)CCC2 1834766908 DMJHEXDTIVBIMC-IBGZPJMESA-N 387.440 -0.108 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835850145 UIJGCRAJEKTXNS-FZKQIMNGSA-N 394.428 -0.224 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)no4)CCO3)C2)CC1 1838102375 JGGDSKYICVORBA-QGZVFWFLSA-N 376.369 -0.246 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)OC)CCO2 1840322523 IZYPBKLORXAZMC-GOSISDBHSA-N 381.429 -0.398 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CC(=O)C2)CCO3)c1 1840833381 BAOJKWSKUBDSRX-LJQANCHMSA-N 386.408 -0.065 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1840843135 WXZWSZDWQFAWNM-FQEVSTJZSA-N 387.436 -0.131 30 20 GBED Cn1cc(C#N)c(=O)n(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c1=O 11263337 HRLMMVVVGWNQDO-UHFFFAOYSA-N 385.336 -0.462 30 20 GBED N#Cc1ccc(N2CCN(C(=O)NCCN3CCCS3(=O)=O)CC2)nc1 61039471 AJMOJWCSOPCVJE-UHFFFAOYSA-N 378.458 -0.180 30 20 GBED CCN1CCN(/C(=N\C[C@@H]2CCOC2)NC[C@@H]2CCS(=O)(=O)C2)CC1=O 262477369 ZYDPIFDMAJXSDF-GJZGRUSLSA-N 386.518 -0.433 30 20 GBED C=CCc1ccc(OC[C@H](O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)c(OC)c1 268983917 DWNZEGWXTUDHDN-HZPDHXFCSA-N 389.452 -0.194 30 20 GBED CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CCO1 273061936 AETNSBNTAWKKTN-HNNXBMFYSA-N 390.396 -0.505 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC(=O)NCc1ccc(C#N)cc1)C2 276374165 HEOAZQVBJWWKOZ-UHFFFAOYSA-N 397.439 -0.863 30 20 GBED Cn1cc(N2CCN(/C(O)=N/C[C@H]3CCN(S(C)(=O)=O)C3)CC2=O)cn1 328790593 LMVWLOPSBDKCSE-GFCCVEGCSA-N 384.462 -0.736 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O 349465854 YMUGNFCPVGQFNP-RWMBFGLXSA-N 392.503 -0.923 30 20 GBED C[C@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N[C@@H](C#N)C(C)(C)C 349515964 BZDDTXKPWBAJAU-RYUDHWBXSA-N 394.519 -0.616 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)CCO)ncc1C#N 349540810 URZIOEAAWHFACL-UHFFFAOYSA-N 376.460 -0.353 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCN(C)C(=O)[C@@H]1C 349599550 KALQIIDYYCUPOR-STQMWFEESA-N 394.519 -0.567 30 20 GBED C[C@H]1[C@@H](C)N(S(=O)(=O)CCCCS(=O)(=O)NCC#N)CC[S@]1=O 349617087 MRKZFDNAMJNSDZ-SMDDFHAHSA-N 385.533 -0.619 30 20 GBED C=CCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 532718182 CBEVYJLZSCMSCG-ZDUSSCGKSA-N 387.483 -0.052 30 20 GBED CN(CC(=O)N1CCOC[C@H]1c1nc[nH]n1)S(=O)(=O)c1ccc(C#N)cc1 556587245 RMJVHYVUKAZKKI-AWEZNQCLSA-N 390.425 -0.103 30 20 GBED C[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)S(C)(=O)=O 588631086 IOYNGIXZUPGYHX-GFCCVEGCSA-N 396.444 -0.105 30 20 GBED C[C@@H](C[S@@](C)=O)NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 589059950 LCAPPIZUZNMLRT-YBOJIHHZSA-N 393.469 -0.045 30 20 GBED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccs2)c(=O)n1CC(N)=O 608911676 DNPBWXPTJLRHGC-UHFFFAOYSA-N 388.474 -0.418 30 20 GBED C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NCC#N 731234151 XSLNFTVJQKUSDH-RNCFNFMXSA-N 389.817 -0.449 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2C(=O)OC)CC1 757884469 DTCHVNHQRZIKPB-UHFFFAOYSA-N 397.428 -0.332 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1nc2ccccc2n1C 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30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)C[C@@H]1C1CC1 854809852 WOCVBBYQBJLVEZ-CYBMUJFWSA-N 397.478 -0.239 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 872634043 TZEOIFYPJQHIQQ-UHFFFAOYSA-N 389.363 -0.267 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)cc1 896575405 PMEXPDCHYUAQFQ-PBHICJAKSA-N 378.498 -0.038 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C 951789582 BJHKZYGOTXGVDW-WFTWPBCJSA-N 377.441 -0.017 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)C[C@@H]1O 964517323 BANSQZZHISBAPE-UKMLZYKCSA-N 388.424 -0.537 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn3nccc3nc2C)C1 970250515 FNADSXMPMHBEQX-OJLVUWQFSA-N 385.424 -0.070 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H]1C 990295248 MFQCWPKGLZVYSM-KBXIAJHMSA-N 392.456 -0.033 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncc(OC)cn2)C1 1024883633 VCGMXZHLZWLHPP-TUVASFSCSA-N 376.413 -0.232 30 20 GBED Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2C#N)c(=O)n(C)c1=O 1055102304 PRJBFYIZHHQWND-OSMZGAPFSA-N 381.396 -0.715 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)CC1 1118434504 CWABWLADJKFGKY-CQSZACIVSA-N 377.445 -0.666 30 20 GBED CN1CCN(C[C@@H](NC(=O)C(=O)N2CCO[C@H](C#N)C2)c2ccccc2)CC1 1257059072 FPENGGAUEGDJHI-QZTJIDSGSA-N 385.468 -0.158 30 20 GBED CC1(C)CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C[C@@]2(CCOC2)O1 1329817652 ZMLKQXLLKZEEPG-HNAYVOBHSA-N 376.457 -0.018 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2CC2(C3CC3)CCC2)CC1 1334275792 DTAXGQBRXZHGCV-UHFFFAOYSA-N 379.490 -0.157 30 20 GBED C[C@@H](C#N)C(=O)N1CCN(C2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC1 1573569733 FCEJUWZUDQVAFR-NSHDSACASA-N 383.416 -0.677 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@]2(O)CCN(c3ncccc3-c3nn[nH]n3)C2)c1 1581863026 UMWWQNFBISKDQM-KRWDZBQOSA-N 379.384 -0.167 30 20 GBED C=CCOCCN1CC(N2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 1588683454 UAJLHUWHLZVXQZ-UHFFFAOYSA-N 386.460 -0.161 30 20 GBED C=CCCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1602843994 FBZWTQPZBCHSKI-ZDUSSCGKSA-N 389.416 -0.255 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(c3nc(C)ccc3-c3nn[nH]n3)C[C@H]2O)nn1 1602882362 JPRVDBHCIOQNKY-TZMCWYRMSA-N 396.415 -0.673 30 20 GBED O=C(CC#Cc1ccccc1)NC[C@H](CO)Nc1nccnc1-c1nn[nH]n1 1606488102 BFYDIOOAAKUWSR-CQSZACIVSA-N 378.396 -0.013 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(OC)OC)CCO2 1781263973 NLRWDDOAKSZZTP-GOSISDBHSA-N 384.429 -0.055 30 20 GBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1783047386 BDDFNVQADDWVPA-FQEVSTJZSA-N 384.436 -0.005 30 20 GBED CCc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)n(C)n1 1791076701 DXRDARUNXNBXOR-NOLJZWGESA-N 388.424 -0.336 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@@H](N)C(N)=O)C2 1798393374 BZNUWUZOPUIYHQ-XLWJZTARSA-N 380.489 -0.210 30 20 GBED NC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)c1ccccc1 1800776067 TWAPVQCOJMYRRM-YYAJDYIMSA-N 385.420 -0.594 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1830060462 VTWGTBXMFKHMCC-GOSISDBHSA-N 389.412 -0.198 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CC)CCO2)C1 1830521992 YZDMQIXIILSUFX-YZVOILCLSA-N 384.473 -0.213 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831576902 ZIMDXNJMMWAZDH-KSSFIOAISA-N 379.413 -0.645 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836132168 MTRZIQCZVKDYQT-NVXWUHKLSA-N 397.501 -0.311 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836419515 LDFNJLLWSFWRSR-PIGZYNQJSA-N 397.453 -0.119 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C)C2)C1 1839224016 LPRDRMHITAIZIM-CRAIPNDOSA-N 384.477 -0.195 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1839840973 PFGQVVCMNPAHAR-CLCXKQKWSA-N 379.457 -0.066 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1840173683 LUMQHGKMSIYLRX-QAPCUYQASA-N 383.445 -0.830 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]1(F)Cl)CCO2 1840247611 DEORITKEWZEHDL-RLCCDNCMSA-N 388.779 -0.545 30 20 GBED C[C@@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1(F)F 1840829877 UFCHDASVBGKJMK-HOTGVXAUSA-N 386.351 -0.424 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)C1=O 66480831 XQNYJSGRHIZKKJ-ZDUSSCGKSA-N 392.412 -0.797 30 20 GBED C=CCN1C(=O)C(=O)N(Cc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2C)C1=O 67768493 NLIMZOOULFUMPG-UHFFFAOYSA-N 388.384 -0.300 30 20 GBED CC/N=C(/NC[C@H](C)N1CCN(C)CC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 262581347 QUCIFNJGVISXIK-ZWKOTPCHSA-N 394.564 -0.089 30 20 GBED CNS(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 267697886 PSUAFVGQIBGOMX-GHRIWEEISA-N 388.471 -0.013 30 20 GBED CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NCCn3cnc(C#N)n3)ccc2O1 285470777 BZPWOFKKZXDTOK-CQSZACIVSA-N 391.409 -0.005 30 20 GBED Cc1cc(NC(=O)CN2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)no1 286725395 GTEXXIDHUZOSCL-UHFFFAOYSA-N 387.404 -0.588 30 20 GBED COC(=O)CNC(=O)Cn1cc(I)c(C)c(C#N)c1=O 289309343 DURJMSVHPAKOIW-UHFFFAOYSA-N 389.149 -0.078 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)C1=O 297931568 SFVSHPJTIOJALM-CABCVRRESA-N 380.489 -0.465 30 20 GBED Cn1c(N2CCN(CC(=O)Nc3ccccc3)CC2)c(C#N)c(=O)n(C)c1=O 298070759 CEJLXHDOCBPEDN-UHFFFAOYSA-N 382.424 -0.284 30 20 GBED CS(=O)(=O)N1CC[C@H](C/N=C(/O)N2CCN(C/C(O)=N/C3CC3)CC2)C1 328744949 PAJYWAJOXVVJRE-CYBMUJFWSA-N 387.506 -0.082 30 20 GBED C[C@]1(C(N)=O)CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C1 349482440 RRJWLRLHSBRXHH-AWEZNQCLSA-N 386.455 -0.626 30 20 GBED Cc1n[nH]cc1NS(=O)(=O)CCCS(=O)(=O)N1CCN(CC#N)CC1 349520711 KOJAIQMLVLBDTD-UHFFFAOYSA-N 390.491 -0.679 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCC2(CC1)CC(C(=O)OC)=NO2 374463570 XARSVJWIKZCWGK-UHFFFAOYSA-N 388.446 -0.123 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CCO1 409495853 ZGHZEOOJCKVXQS-KZNAEPCWSA-N 394.497 -0.072 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCCN(CC(=O)N3CCCC3)CC2)CCO1 409525376 LFANLQARKXCJTL-HNNXBMFYSA-N 385.490 -0.914 30 20 GBED C[C@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1)c1ccc(C#N)cc1 424514974 HMADJWKRZQXZMP-GWCFXTLKSA-N 379.394 -0.554 30 20 GBED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccnn2C(C)C)c1=O 527030345 JFEMTECTMSPUBR-UHFFFAOYSA-N 389.481 -0.027 30 20 GBED CS(=O)(=O)C1(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 548423823 YDUICBICWSQUTF-UHFFFAOYSA-N 397.478 -0.032 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cc(C4CC4)n(C)n3)CC2)c1C#N 567477033 AIBUGEISVWOTLS-UHFFFAOYSA-N 396.455 0.498 30 20 GBED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C)c(C#N)cn1 579490619 BGUVZUNOAIUEID-MNOVXSKESA-N 375.385 -0.227 30 20 GBED C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587648165 SCGOIDOCTAZPIE-UONOGXRCSA-N 389.456 -0.372 30 20 GBED CN(C)C[C@@](C)(C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 593155771 YXHOLIZZIMMASX-MRXNPFEDSA-N 383.474 -0.380 30 20 GBED COCCN(C)C[C@@H](O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 593943314 LZBIQOQHVUNLPG-QGZVFWFLSA-N 396.513 -0.196 30 20 GBED CO[C@](C)(CO)CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 594628422 SFMCORLKHQYUEQ-FZMZJTMJSA-N 391.471 -0.447 30 20 GBED C[C@H](C(=O)OCC(=O)N[C@](C)(C#N)C1CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745442172 KAJSHWMKMRSMMJ-YWHGJHRRSA-N 389.408 -0.111 30 20 GBED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccnn2CC)c1=O 758059591 QMDOZKXRZFLZMQ-UHFFFAOYSA-N 381.461 -0.115 30 20 GBED C=CCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 772718086 MDQAKTNNYOCMGV-UHFFFAOYSA-N 379.485 -0.002 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1=O 798546528 ZMAPMRMSGZGBHT-TZMCWYRMSA-N 396.469 -0.603 30 20 GBED C=C[C@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 814547174 UKWAOEYXLCYJAL-AWEZNQCLSA-N 393.421 -0.519 30 20 GBED C[C@@H](C(=O)N(C)CC(=O)NS(=O)(=O)c1cncc(C#N)c1)n1cccn1 816095261 WKPJOFWQQDIVIQ-NSHDSACASA-N 376.398 -0.326 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)NCC(=O)O 827756214 YVLBCJBBLWZLEB-NXEZZACHSA-N 383.382 -0.642 30 20 GBED C[C@@H]1NC(=O)N(CCOC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1=O 837582586 STODEPRMOSVOOT-WDEREUQCSA-N 394.409 -0.291 30 20 GBED C#CCCN1CCN(CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)CC1 839527443 JDWHJWPZTDVEOU-UHFFFAOYSA-N 375.473 -0.391 30 20 GBED C[C@H](CC(=O)N(C)CCN1CCNCC1)/N=C1/NS(=O)(=O)c2ccccc21 843337844 CJNKYJSZARAWNP-CQSZACIVSA-N 393.513 -0.133 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2c3c(nn2C)CCCC3)CC1 866730668 BYWHUPGRVKBPQV-UHFFFAOYSA-N 379.486 -0.645 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1nccn1 960439818 OGCVQFGZEMHGLK-FXUDXRNXSA-N 375.429 -0.303 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@@H]1O 970711954 PFLXKXUDGLOKCC-UXOAXIEHSA-N 376.413 -0.694 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1C 988730378 NNUUDJONVMYNDF-WCVJEAGWSA-N 378.473 -0.543 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)C[C@H]1O 1025711446 UGQCUGXPDXBMSG-LTZCYQRMSA-N 377.397 -0.724 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1043257201 NXRLMBLZYMJLBL-ZOFXXKQRSA-N 394.468 -0.291 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)Nc1nncs1 1109171476 RIYBKYGXEBMINV-WOPDTQHZSA-N 376.442 -0.662 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)NC[C@@H]2COCCN2)CC1 1261824081 PWUVASJWCZHRDD-CYBMUJFWSA-N 375.404 -0.549 30 20 GBED COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1Cc1nncn1C 1316097866 JIDPFKKBFXFTFB-UHFFFAOYSA-N 375.437 -0.040 30 20 GBED O=C(CN1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1)NC1CC1 1318455166 NLZQRAPHABUQNO-MSUUIHNZSA-N 390.444 -0.881 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1323106951 YSGRUAOOCPNUQA-NXVVXOECSA-N 391.428 -0.902 30 20 GBED C#CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1326893356 OSEUJYOPHFKIBL-UHFFFAOYSA-N 391.449 -0.186 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)nn1 1328079947 PQFFVXCLKGKPKO-UHFFFAOYSA-N 392.441 -0.825 30 20 GBED C#CCN1CCC[C@H](NC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 1331409531 LUCGCRKLANLXNR-SFHVURJKSA-N 397.479 -0.229 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)C1 1345879289 DLFHMQPUJODOMW-BXWFABGCSA-N 378.473 -0.252 30 20 GBED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CC1 1360248721 VNOTXUKHXZMYHH-GFCCVEGCSA-N 396.473 -0.278 30 20 GBED C#CCn1ccc(CN(CC)C(=O)Cn2cc(-c3nn[nH]n3)c(O)nc2=O)n1 1573287382 BQLKJPOEJFXVCF-UHFFFAOYSA-N 383.372 -0.993 30 20 GBED C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCN3)n2CC(=O)N(C)C)CC1 1574706799 HUGKDYNJYPGSGP-HNNXBMFYSA-N 387.488 -0.243 30 20 GBED C#CCN(C(=O)C(N)=O)C1CCN(C(=O)c2cncc(-c3cnn[nH]3)c2)CC1 1574895463 VGAWHYCQKMWLCM-UHFFFAOYSA-N 381.396 -0.582 30 20 GBED COCC#CCN1CC[C@H](N2CCN(C(=O)[C@@H](C)OCc3cnn[nH]3)CC2)C1 1576953476 OBRASPZJQOEGGJ-AEFFLSMTSA-N 390.488 -0.422 30 20 GBED CS(=O)(=O)C1(Cn2c([C@H]3COCCN3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1579336343 YSBJRULFUSHALN-IUODEOHRSA-N 398.464 -0.042 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)c1 1581863165 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CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789762630 BIAYPUPZCVZKHH-UYLCUJDWSA-N 396.488 -0.510 30 20 GBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@](C)(O)CC(=O)O)[C@H]2C1 1791286849 MLCGZBYVRRRYKH-XLPNERPQSA-N 380.441 -0.005 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCNC1=N)C2 1792566416 ZPABRJUCOMJRFZ-BNHNOLAQSA-N 388.472 -0.677 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCCS2(=O)=O)C3)CC1 1795413177 VSEAAIAVQRCRQE-CRWXNKLISA-N 381.454 -0.543 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)NCC(C)C)C2 1797710952 OXOARFQXNWQXDN-QKPAOTATSA-N 395.500 -0.079 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCCS2(=O)=O)CCC1 1800395838 UEVSZEMUCSRJBE-XGUBFFRZSA-N 395.481 -0.153 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCOCC1)CC2 1825664629 NQMSJNMQYOAGRH-LLVKDONJSA-N 392.437 -0.525 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)CCC(N)=O)C3)C2)C1 1829667062 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397.501 -0.311 30 20 GBED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839239887 IKBJOKGEUWBKIP-SFHVURJKSA-N 375.429 -0.061 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCSC3)C2)C1 1840045109 RLTOCKGHCLRPJN-KDOFPFPSSA-N 396.465 -0.326 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1840162109 MKIKFFLWSYNGNR-BZNIZROVSA-N 382.442 -0.842 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCSC)CCO2 1840201429 RYMGTAGCNIKOLR-YJBOKZPZSA-N 384.498 -0.030 30 20 GBED C=CCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H]1CCS(=O)(=O)C1 182652565 AQKNTNCWVAZNIV-LBPRGKRZSA-N 381.458 -0.891 30 20 GBED C/N=C(/NCc1ccc(S(N)(=O)=O)cc1)N1CCS(=O)(=O)C(C)(C)C1 262026533 ZVBORFDBULIJEK-UHFFFAOYSA-N 388.515 -0.082 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCNC(=O)c2occc2C)C1=O 265663221 PIZMQBBHFQDWLA-UHFFFAOYSA-N 376.369 -0.199 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCNS(C)(=O)=O 268766253 QEDQOZUEKMXFOM-LLVKDONJSA-N 388.471 -0.719 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2cccnc2)CC1 282351542 AQBRAKICDCPIOL-UHFFFAOYSA-N 381.458 -0.054 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)[C@H]1C 293888244 YIRSRVOPOFMDKJ-MJVIPROJSA-N 385.467 -0.083 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(Cc3ccncc3)CC2)C1=O 298015804 ZSHPMUBTAVJLFD-QGZVFWFLSA-N 385.468 -0.029 30 20 GBED C[C@@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(C#N)cn1 349483759 QYMIBWVVXBYINN-LLVKDONJSA-N 376.460 -0.273 30 20 GBED N#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 349508073 YZSIGMOAGAPXHT-IHRRRGAJSA-N 390.487 -0.912 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@]4(CCN(C)C4)C3)CC2)c1C#N 410839499 ZQHUYUUFMMOJON-FQEVSTJZSA-N 399.499 -0.197 30 20 GBED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCN)C1 440341686 PZMNUIZCZJQVHS-LLVKDONJSA-N 381.414 -0.058 30 20 GBED CN1CCC[C@@H](NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1=O 498855704 OJTBNDJWDIRNFM-QGZVFWFLSA-N 383.452 -0.061 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CS(=O)(=O)CCO1 509129553 XRIDCYKEXCUPMK-OLZOCXBDSA-N 394.457 -0.618 30 20 GBED C[C@]1(CNS(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)CCC(=O)N1 571777370 XUQGUBOSHBJNHR-CQSZACIVSA-N 386.455 -0.565 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@]3(CNC(=O)C3)C2)cc1 574491890 QMPANWPPPTZDOW-KRWDZBQOSA-N 376.438 -0.035 30 20 GBED C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)N1CCO 576604967 MBXGPXJXZDSOPJ-OKILXGFUSA-N 380.470 -0.250 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCN3CCCC3=O)C2=O)cc1 581436998 SRYUOPXBUUYHID-MRXNPFEDSA-N 397.435 -0.092 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)CC1 609457024 GGNWLMALBSOHGG-HNNXBMFYSA-N 386.456 -0.118 30 20 GBED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)OCC(=O)NCC#N)CC2)cc1 741008295 UEQACYNKIZZMBD-UHFFFAOYSA-N 394.453 -0.516 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)Cc2nc([C@@H](C)OC)no2)c1=O 748093806 KSGVQVUMSIAGOU-GFCCVEGCSA-N 392.416 -0.276 30 20 GBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCNc1ncccc1C#N 755232755 IKVVLKWXCYEWEU-NSHDSACASA-N 377.430 -0.418 30 20 GBED C=C(C)[C@H](CC(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)OCC 778135355 FAJZEEOIQXKSRX-RYUDHWBXSA-N 376.431 -0.086 30 20 GBED Cc1nsc(N2CCN(C(=S)NCCNS(C)(=O)=O)CC2)c1C#N 811711353 FICRWDITMYPMSX-UHFFFAOYSA-N 388.544 -0.131 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)OCCc2cn(CC(=O)O)nn2)cc1 825625483 FCXZZCCXMIOLFW-UHFFFAOYSA-N 392.393 -0.326 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC(N3CCOC3=O)CC2)C1=O 850658702 FHRPZKWIFJPIGM-CQSZACIVSA-N 378.429 -0.325 30 20 GBED Cn1c(=O)c2c(ncn2CC(=O)[C@@H](C#N)C(=O)NCc2ccccc2)n(C)c1=O 916885819 BIBZWBYJRPMDQS-CYBMUJFWSA-N 394.391 -0.541 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 970105028 RAHOZCYGFYTPJQ-ATGSNQNLSA-N 376.413 -0.604 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 972410705 WDZCJGLVKQRUJL-TUVASFSCSA-N 390.440 -0.421 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)CN2CCCS2(=O)=O)[C@H]1C 988604780 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394.453 -0.301 30 20 GBED CCn1nc(C)c(CNC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n1 1325973590 KFMVXJNIUGRATG-LBPRGKRZSA-N 397.443 -0.378 30 20 GBED C=CCn1c(-c2nccn2C)nnc1N1CCN(CC(=O)NCCOC)CC1 1338620665 AVMMTFXHMGPFFZ-UHFFFAOYSA-N 388.476 -0.251 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NCCSC(F)(F)F 1340596746 KWIUAHOGQUSUSI-MDZDMXLPSA-N 380.348 -0.002 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)O)c2C)CC1 1573311597 UPCJEJFOCQEGJE-ZDUSSCGKSA-N 396.469 -0.014 30 20 GBED C#CCOCCC(=O)N1C[C@@H]2C(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H]2C1 1588360248 MDVUTLDAWCZZJT-ZIAGYGMSSA-N 383.412 -0.331 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2cnccc2-c2nn[nH]n2)CC1 1588658187 AWIMYAUOKALXEU-GFCCVEGCSA-N 385.432 -0.216 30 20 GBED O=C(CC#Cc1ccccc1)NC[C@@H](O)CNc1nccnc1-c1nn[nH]n1 1592802820 ICQCXKWEHVMDJQ-CQSZACIVSA-N 378.396 -0.013 30 20 GBED C[C@H](CN)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779105260 SIIYNJBHQZENPS-DKNRJFKUSA-N 382.461 -0.060 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1782620710 HXJXOKWPGOFARP-KZBYFGPZSA-N 377.441 -0.106 30 20 GBED CC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1783139798 SOMHKCILHIKGFL-GOSISDBHSA-N 379.461 -0.766 30 20 GBED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1789955140 FPVHLKUCNSDNDO-AJNGGQMLSA-N 393.448 -0.546 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)C(C)(C)C)C2 1792484714 LJCKJKJMTXNSKA-GXKXQIGZSA-N 393.484 -0.159 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1794084428 TYMSBEWXYCCINV-YIYPIFLZSA-N 378.429 -0.233 30 20 GBED C[C@H](NC(=O)c1ccccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1801263797 KSFIKFFCWPEBKW-XQLPTFJDSA-N 398.419 -0.074 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801734103 AOOMAXCJRAXGME-WCXIOVBPSA-N 398.504 -0.288 30 20 GBED N#CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2 1814488275 RYNJOHPFXGVRFV-VIFPVBQESA-N 390.425 -0.089 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1 1833223752 MOYJMGNGZQRXLX-ZDUSSCGKSA-N 384.477 -0.330 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835426603 GLXRTZDSSNCJMU-KSSFIOAISA-N 383.445 -0.878 30 20 GBED CN(C)CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837442401 WYCPEHBKUZVADF-GUBFPNNNSA-N 395.504 -0.524 30 20 GBED CN(C)CC(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837561459 MOMFYHJBCXVXJX-DKLCPLSMSA-N 392.456 -0.284 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839808653 WNCPFNSPUNELAD-SKTBVBMLSA-N 379.413 -0.395 30 20 GBED N#Cc1ccc(N2CCN(CC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)CC2)nc1 115675006 GAZKQHSFGZDANW-UHFFFAOYSA-N 395.423 -0.275 30 20 GBED C/N=C(/NCC1(N(C)C)CCOCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 261726402 IXGMVJOQVORLMX-SFHVURJKSA-N 394.520 -0.017 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1 264087641 AHDAFAHXNFGFBG-MRXNPFEDSA-N 386.452 -0.088 30 20 GBED COCCNC(=O)/C(C#N)=c1/s/c(=C\c2cnn(C(C)C)c2)c(=O)n1C 264800394 MRWQSTAWJCTLQD-IQVCKYCWSA-N 375.454 -0.510 30 20 GBED CN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 272436843 BRARVDXOMHRRFG-ZDUSSCGKSA-N 383.364 -0.410 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](C(=O)NC)Oc2ccccc21 273008736 WSRLOAZUYJZIGT-AWEZNQCLSA-N 395.437 -0.756 30 20 GBED C#Cc1cccc(NC(=O)CN(C)C(=O)C2CCN(S(N)(=O)=O)CC2)c1 299104989 WXSOVPJHIFIXOD-UHFFFAOYSA-N 378.454 -0.020 30 20 GBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 328731745 ITCFBBYSGJNKTR-KGLIPLIRSA-N 388.490 -0.352 30 20 GBED CC(=O)N1CC(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 329995287 ZXKULELJPOCFNV-UHFFFAOYSA-N 376.438 -0.131 30 20 GBED C=CCn1c(Cc2noc(CNS(=O)(=O)CC)n2)nnc1N1CCOCC1 348342689 PDRCCIAOSRMTOL-UHFFFAOYSA-N 397.461 -0.286 30 20 GBED CN1C[C@H](NS(=O)(=O)CCCS(=O)(=O)N[C@@]2(C#N)CC2(C)C)CC1=O 349610967 DWUGANOWDQEKFY-BXUZGUMPSA-N 392.503 -0.862 30 20 GBED COC(=O)[C@@H]1C[C@@H](OC)CN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 369380871 CBWNKZMDYLPOLN-HIFRSBDPSA-N 391.428 -0.234 30 20 GBED Cn1cc([C@@H]2CN(C(=O)C(=O)N3CC(Oc4ccc(C#N)cc4)C3)C[C@H]2N)cn1 424496723 VHRRTBZOMUUUQU-ZWKOTPCHSA-N 394.435 -0.165 30 20 GBED N#CCCN(CCN1CCOCC1)CC(=O)N1CCN(C(=O)C2CC2)CC1 471232152 SNMWNVMNLXATBU-UHFFFAOYSA-N 377.489 -0.385 30 20 GBED C=CC[C@@H](CO)CNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 539313097 RXXSOHPKVWCXJF-CQSZACIVSA-N 390.506 -0.488 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C(=O)NCC3(CC#N)CC3)CC2)CC1 555704786 QGTQYCKGWANCSR-UHFFFAOYSA-N 384.506 -0.500 30 20 GBED C[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)S(C)(=O)=O 565230002 VVMGETUVXJXMJE-JTQLQIEISA-N 395.484 -0.800 30 20 GBED CCN1C[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)CC1=O 574466042 QZMDKEQGXARVQO-LLVKDONJSA-N 386.455 -0.612 30 20 GBED C[C@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)[C@@H]1CN(C)CCO1 589408531 YJOAYQILLDYSIB-WFASDCNBSA-N 383.412 -0.087 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)CC1 672355816 MQWZHFSRRAMNRW-OAHLLOKOSA-N 386.518 -0.318 30 20 GBED CN1CCN(CCCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 726504290 FWEQTYCYBOPEDU-UHFFFAOYSA-N 393.513 -0.131 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nnc(CCCC(=O)O)s2)C1=O 736106844 MROAKIWOCFOPRN-UHFFFAOYSA-N 381.370 -0.139 30 20 GBED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CC(N)=O 763460852 SZXZVXJMBDMOCI-UHFFFAOYSA-N 387.465 -0.991 30 20 GBED C=CCS(=O)(=O)CCNC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 783012900 JIWQSGDSXAWQNU-LLVKDONJSA-N 396.512 -0.217 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 785160145 QQGHVUSOIJJCAA-UHFFFAOYSA-N 395.437 -0.588 30 20 GBED CNS(=O)(=O)c1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)nc1 792399390 BEJJCBBQNGQPIM-BUHFOSPRSA-N 394.413 -0.362 30 20 GBED C=CCN1CC[C@H](OC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1=O 798656126 QJDLRCGZDSYHMS-YVEFUNNKSA-N 379.413 -0.068 30 20 GBED CN(CCCNC(=O)Cn1cc2c(c(C#N)c1=O)CCCC2)S(C)(=O)=O 842574402 WCTKQECRLSCAQB-UHFFFAOYSA-N 380.470 -0.004 30 20 GBED C#Cc1cccc(NC(=O)CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 918342139 CBXVLCXFFWKMKR-UHFFFAOYSA-N 394.391 -0.830 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCN(C)[C@@H]3C)C[C@@H]2O)nn1 964279301 QYUAEKOIMBVGQD-KQTLUZQSSA-N 376.461 -0.504 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2nn(CC)nc2C)C1 968504198 PAXVNYIDEAIPOM-KBXIAJHMSA-N 377.445 -0.111 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 972393925 NELOLCWJWNOOLK-DLTWYDFYSA-N 389.456 -0.378 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)nc1 1000439311 JNPDIBNXQCDFJX-YYESSZKYSA-N 382.420 -0.043 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@@H]3C2)nc1 1022711157 LXLNMQSWMKVRTM-PQEBFOHHSA-N 382.420 -0.231 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@H]1O 1023960857 XHOFPJJCSCJZOP-MIGQKNRLSA-N 388.424 -0.537 30 20 GBED N#Cc1ccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)o1 1117751912 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GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)CC1 1330435896 LABABFIHAMAUBI-UHFFFAOYSA-N 396.447 -0.150 30 20 GBED C#CC1CCN(C(=O)C(=O)N2CCN(Cc3nc(COC)no3)CC2)CC1 1332378086 ZGCHVPCXOMYGLL-UHFFFAOYSA-N 375.429 -0.268 30 20 GBED C=CCn1c(N2CCN(CC(=O)NCCOC)CC2)nnc1C1(CO)CCC1 1339470106 HGRYZBSEOXADBC-UHFFFAOYSA-N 392.504 -0.237 30 20 GBED CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)NCCn2cnc(C#N)n2)cn1 1342556020 SPODHJAQIRSKCX-NRRJATNASA-N 376.446 -0.119 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nc2)C[C@@H]1O 1573285252 GGVOWMSYEZCDGI-PMPSAXMXSA-N 382.428 -0.975 30 20 GBED C[C@@H](C#N)C(=O)N1CCN([C@H]2CCN(c3nccnc3-c3nn[nH]n3)C2)CC1 1573569843 GFZXPTIFCQMKQU-STQMWFEESA-N 382.432 -0.461 30 20 GBED C=CC(C)(C)C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]1CCCN1Cc1cnn[nH]1 1575061165 CTKCXNITQYKVJW-GJZGRUSLSA-N 378.477 -0.083 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(-c3nn[nH]n3)c(O)c2)CC1 1588354680 VQHOCEQUVFDFIJ-UHFFFAOYSA-N 383.412 -0.530 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O 1588442210 GYSFHZQDLOCZPJ-QJZXMWHDSA-N 386.416 -0.696 30 20 GBED C=C[C@@H]1OCC[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588725646 JJSWBOVHVWBHTK-JSGCOSHPSA-N 392.441 -0.148 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC2(CC1)NC(=O)NC2=O 1592664544 FNPZKTULLWTXEO-CYBMUJFWSA-N 394.395 -0.250 30 20 GBED CC(C)(C)OC(=O)N1CCO[C@@](C(=O)O)(C(=O)N2CC[C@](O)(CC#N)C2)C1 1602892081 DWTRGUJCJRGOMN-IAGOWNOFSA-N 383.401 -0.046 30 20 GBED O=C(CC#Cc1ccccc1)NC[C@@H](CO)Nc1nccnc1-c1nn[nH]n1 1606488101 BFYDIOOAAKUWSR-AWEZNQCLSA-N 378.396 -0.013 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)c1=O 1609258236 XTODYVRUTUNGEV-UHFFFAOYSA-N 380.368 -0.602 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)C[C@]3(O)CCOC3)CC2)cc1 1642226263 DMZNIHFXEMSERV-SJLPKXTDSA-N 395.481 -0.233 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1778970279 YMWBGXGTPWIAER-OXJNMPFZSA-N 395.500 -0.278 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015766 ZSMNBWQWSKDPPG-WPKBUWHJSA-N 379.413 -0.887 30 20 GBED CC(=O)N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C(C)(C)C 1783558823 ZPSXSLLKFNEGLG-VQIMIIECSA-N 393.440 -0.545 30 20 GBED COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cn1 1784765063 RLDLOEIXACDHMV-KKUMJFAQSA-N 387.392 -0.229 30 20 GBED COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)S)C[C@@H]21 1788776578 DWIIWQOCSMXNCK-RCXZEQIESA-N 387.502 -0.565 30 20 GBED CN1CCCC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791073142 MCUBEFFJIPVZST-VGWMRTNUSA-N 377.441 -0.462 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795359787 VADOVXKDZPGMKB-XFMPKHEZSA-N 388.486 -0.806 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOC1=O 1797164405 MEIFHILNYBMZGP-MPTYRVRUSA-N 393.440 -0.543 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2 1797708349 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IOUJTQZFXSGNPV-ACBHZAAOSA-N 391.424 -0.300 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1840844994 YAKNVXHNIQUJBA-FQEVSTJZSA-N 391.468 -0.131 30 20 GBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)c2cc(C)on2)C1 1844308449 UYAZOSHJCFWCEJ-CQSZACIVSA-N 388.424 -0.045 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NC(N)=O)CC2)cc1 18662038 WKLIIJQQEGFFLP-UHFFFAOYSA-N 394.409 -0.303 30 20 GBED COC(=O)[C@@H]1COCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 268925021 RFJROPHYZWYULT-FZMZJTMJSA-N 381.410 -0.375 30 20 GBED COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 272279458 UGYRTENWHPWDBV-OCCSQVGLSA-N 381.410 -0.373 30 20 GBED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCO[C@@H](C(=O)NC)C1)C(C)C 284012288 KPGCQWOQCDETOX-HZPDHXFCSA-N 380.489 -0.225 30 20 GBED C[C@@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)C(=O)N1CCS(=O)(=O)CC1 293088322 QYODARAWVKQQDO-GFCCVEGCSA-N 378.454 0.000 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1=O 297776008 IRSJKTOJWZPDTO-LSDHHAIUSA-N 392.456 -0.919 30 20 GBED CN(CCN1CCOCC1)C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 298196745 XBAVVQDQKACJPT-UHFFFAOYSA-N 386.456 -0.608 30 20 GBED C[C@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 349480827 NJSCQQQEZJAHSP-NWDGAFQWSA-N 385.533 -0.710 30 20 GBED CO[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@@H]2C#N)C1 349499180 DAHLTFGCFNGIMF-QWHCGFSZSA-N 397.544 -0.302 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCO[C@]2(CCOC2)C1 349554769 NBTLMUBSFURRCB-QWHCGFSZSA-N 381.476 -0.923 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)N(C)CC#N)CC[S@@](=O)C1 349605920 IIWGZDMAPVLWAF-MCMMXHMISA-N 399.560 -0.418 30 20 GBED COc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cc1 409555404 SNTZKYRCTFNUEL-MRXNPFEDSA-N 394.453 -0.078 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)CCO1 409584963 CTINUCVXQYYQTQ-VXGBXAGGSA-N 392.528 -0.594 30 20 GBED C=C(C)CN(CC)C(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 459826162 WCYPZFWPWYWPNH-INIZCTEOSA-N 380.489 -0.198 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C(N)=O)ccc1OCC(F)F 521123793 DTIQFGOFFRIMDE-UHFFFAOYSA-N 384.339 -0.214 30 20 GBED CNC(=O)CCCN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 580095249 NHADONYYZRNOTH-UHFFFAOYSA-N 388.471 -0.365 30 20 GBED COC[C@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@@H]1CCCO1 589143722 CGGYOKZJJMPSES-KBPBESRZSA-N 378.433 -0.435 30 20 GBED CCOC(=O)C[C@H](CO)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 597675598 FSSCCDAHRDFZCF-CYBMUJFWSA-N 383.426 -0.159 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)NCCCN2CCCS2(=O)=O)CC1 636675839 BLMOWMNXMBZTDV-UHFFFAOYSA-N 386.518 -0.315 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cc(CNS(C)(=O)=O)ccc1OC 646950699 HAQKMGNDIWCFER-ZDUSSCGKSA-N 397.453 -0.427 30 20 GBED COc1ccc2c(c1)C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCO2 771889278 AJQHBAUPPPOQAY-UHFFFAOYSA-N 394.409 -0.442 30 20 GBED CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(N)=O)c2=O)cn1 781657859 DNLMBYVXCJFGRW-UHFFFAOYSA-N 399.476 -0.126 30 20 GBED COc1ccc(CNC(=O)C(=O)N2C[C@@H](N)[C@H](c3cnn(C)c3)C2)cc1C#N 818666084 QFUQRQKPAGEAPQ-JKSUJKDBSA-N 382.424 -0.130 30 20 GBED C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1S(=O)(=O)N(C)CCC#N 820803754 GUBBTOJTQGAHHR-NSHDSACASA-N 392.449 -0.743 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)CC1 831556453 NPWNXJUMFMXVHE-SWLSCSKDSA-N 386.499 -0.948 30 20 GBED C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH]ccc1=NC(C)=O 848965897 XKJBHGMPHHAOQS-NSHDSACASA-N 388.471 -0.465 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1OC 946822095 DGFFLCOQBYCHAI-LVQVYYBASA-N 377.445 -0.319 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cn(C)c(=O)nc3O)C[C@H]21 975264294 VRWUUTYCNBCZQN-GBOPCIDUSA-N 388.424 -0.250 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@@H]2C1 986465817 NHHUICYAMUJOJM-RQJABVFESA-N 391.428 -0.413 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 994647483 ZWGKYNCPZIUWND-TUVASFSCSA-N 392.456 -0.318 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CNC1=O 1000640943 GQSPMTOJIPNBNJ-RVFOSREFSA-N 390.440 -0.233 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 1021886558 DYOMNYVBJFELQY-MXYBEHONSA-N 388.428 -0.973 30 20 GBED C#Cc1cncc(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@H]32)c1 1022634870 GEESIYHOZKPRFH-PQEBFOHHSA-N 382.420 -0.231 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(OC)n(C)n2)C1 1024884544 UIPOUOVCVOGNQZ-NGFQHRJXSA-N 378.429 -0.289 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 1025035895 NBJDAEDFQHPWEY-GBOPCIDUSA-N 376.413 -0.937 30 20 GBED N#Cc1cnccc1N1C[C@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 1044660648 HBKRDCOBCODKRT-LFVTVUPYSA-N 382.424 -0.079 30 20 GBED CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncc(C#N)cc1F 1093029635 HEMPEBXRJPDILW-RTXFEEFZSA-N 382.421 -0.628 30 20 GBED CC(C)N1C[C@H](NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1=O 1117198706 IXJGUCZSLITSRR-ZIAGYGMSSA-N 399.455 -0.489 30 20 GBED C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(CCC#N)CC1 1152068908 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GBED N#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3CC(=O)NCc2cnn[nH]2)[nH]1 1577712377 KWSZOMNPVGMECB-GASCZTMLSA-N 382.428 0.000 30 20 GBED N#Cc1cc(C(=O)N2CCO[C@H](CNc3cncc(-c4nn[nH]n4)n3)C2)c[nH]1 1581864217 MFZMCPVBXVWBBJ-GFCCVEGCSA-N 380.372 -0.190 30 20 GBED C#CCN(C(=O)CNc1ccc(-c2nn[nH]n2)cn1)[C@@H]1CCS(=O)(=O)C1 1588348502 ZFMMPPTYWMKSOF-GFCCVEGCSA-N 375.414 -0.678 30 20 GBED Cn1c(N2CC(Nc3cccc(-c4nn[nH]n4)c3)C2)c(C#N)c(=O)n(C)c1=O 1592553927 ZQQWEFGDYHEBDM-UHFFFAOYSA-N 379.384 -0.564 30 20 GBED O=C(CC#Cc1ccccc1)NC[C@H](CO)Nc1ccc(-c2nn[nH]n2)nn1 1592802856 JFCZULVFTKPDHT-CQSZACIVSA-N 378.396 -0.013 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H](F)C(=O)O)CC2)cc1 1601111760 HALOWNURBXVJFR-ZDUSSCGKSA-N 384.389 -0.003 30 20 GBED C#CCOCCC(=O)NC[C@H]1COCCN1c1snc(C)c1-c1nn[nH]n1 1602729456 SCTWEPDLXFGGQT-LBPRGKRZSA-N 391.457 -0.007 30 20 GBED O=C1C[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)CN1 1779020861 CYDHMGDBKLOBHR-SKXPXTMJSA-N 391.472 -0.576 30 20 GBED CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782009608 QESKJROZHCTBBX-SPYBWZPUSA-N 393.440 -0.497 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)OC)C2)C1 1784259325 DWNSJTSJSRLCMB-UGSOOPFHSA-N 383.445 -0.255 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cncn3)[C@H]2C1 1791611740 IWZLMZLBFMSNQU-QEOTZNIISA-N 389.456 -0.143 30 20 GBED COC(OC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1793168846 LDMHHZCEVKTQPI-SCAQPMJSSA-N 394.468 -0.107 30 20 GBED C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)C(=O)C(=O)O)C2 1793585103 XYQQKYMTXHLPCV-YIYPIFLZSA-N 381.429 -0.241 30 20 GBED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1)n1cnnn1 1795278267 YYZRYWCWRCFCOO-RMRDIRSESA-N 394.435 -0.125 30 20 GBED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(N)=O)cc1 1802160767 SCTOCGGBUVJPAA-HGKCTWBKSA-N 399.451 -0.251 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NCC=C)CCO2)C1 1829773554 MQQISVTXYHQPEY-AQWUKCDYSA-N 389.452 -0.285 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831433096 GGVRKKIGSVRUNK-KBXCAEBGSA-N 380.397 -0.878 30 20 GBED CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3(C#N)CC3)CCO2)C1 1835338758 RPZFHMRRJFQUGL-IBGZPJMESA-N 392.456 -0.339 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1835351966 HJFKNZUVKXSGDF-KBXCAEBGSA-N 378.429 -0.727 30 20 GBED CC(C)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042210 GRUORZANYZSDCV-RDTXWAMCSA-N 382.413 -0.656 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1840163332 RIUYDFKIMRXHFM-IIYDPXPESA-N 385.486 -0.618 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1840167420 PBNQWOGITKQQTD-FQEVSTJZSA-N 393.484 -0.422 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](C)NC(=O)NCC)C2 1841054950 UITGEOAEFRJXCM-WBTMPAOCSA-N 391.472 -0.244 30 20 GBED CC(=O)N1CCC[C@](O)(/C(O)=N/[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 329109806 GANXTRQUAVNWCW-MAUKXSAKSA-N 382.461 -0.751 30 20 GBED CC[C@@H]1CN(C)CCCN1S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N 349462983 AWQZEMWMQMVVQZ-UONOGXRCSA-N 380.536 -0.046 30 20 GBED CC(C)[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)CCN1C 349474472 JRUZZFGHKJSZNA-AWEZNQCLSA-N 392.547 -0.046 30 20 GBED C[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(CC#N)CC#N)C[C@@H]1O 349482471 RZIKSXMNPSALCL-OLZOCXBDSA-N 398.466 -0.274 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(CO)C2)n1 349483245 QGGLZAKDWALOGR-UHFFFAOYSA-N 391.475 -0.932 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H]3C[C@@H](N(C)C)CC[C@H]32)C1=O 366429038 MVVMQKMQQDCMDS-BFHYXJOUSA-N 378.429 -0.327 30 20 GBED C=CCCCN(C)C(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 410493861 WXPXMXKZVVVERJ-INIZCTEOSA-N 380.489 -0.198 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(-c3ccnn3C)nn2)CC1 417345110 SZXSUOOBLVHONX-UHFFFAOYSA-N 384.444 0.329 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CC[C@@H]4CNC[C@@H]43)C2=O)cc1 418904086 IQERKPLDPBMKNB-OIISXLGYSA-N 381.436 -0.010 30 20 GBED CN1CC[C@H](CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1=O 425904526 LULMYCNGZWIGBM-AWEZNQCLSA-N 384.440 -0.414 30 20 GBED COc1ccc(C(=O)NCCN2CCN(C(=O)Cn3cnc(C#N)n3)CC2)cc1 426617734 BALMLTDDIVNPFO-UHFFFAOYSA-N 397.439 -0.267 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCCNC2=O)cc1 520428843 BXZOCOXHXBIUHF-CYBMUJFWSA-N 386.455 -0.565 30 20 GBED C[C@H]1CS(=O)(=O)CCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 527296513 OKIZXBOHFZMKRA-LBPRGKRZSA-N 385.467 -0.176 30 20 GBED C=CCNC(=O)CNS(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 538529150 SRBQPPXNCPJJBZ-UHFFFAOYSA-N 395.528 -0.190 30 20 GBED COCCN1CCC[C@H]1CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 577596727 NCZCCWREZXUADM-ZDUSSCGKSA-N 391.476 -0.518 30 20 GBED CS(=O)(=O)N1CC[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 578197368 IFVLIHYRZKHUAS-AWEZNQCLSA-N 378.458 -0.181 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCC[C@H]4C(=O)NC[C@H]43)CC2)nc1 587654093 MIEMOBBTVCWJEO-HZPDHXFCSA-N 396.451 -0.225 30 20 GBED CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 594627417 YYYWIUGGKMIVKL-ZDUSSCGKSA-N 385.467 -0.117 30 20 GBED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H](O)COc1ccccc1C#N 599257929 RELQYYVIVXZDLQ-CVEARBPZSA-N 395.481 -0.077 30 20 GBED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC3=NCC(=O)N3)nnc12 613191964 WSDZNKKEDQNNLZ-UHFFFAOYSA-N 397.420 -0.076 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 728590256 YWODQZOATFQXPA-UHFFFAOYSA-N 384.389 -0.210 30 20 GBED Cn1c(=O)c2ccc(C(=O)[C@@H](C#N)C(=O)Nc3ccccn3)nc2n(C)c1=O 747021550 UYIVWROQALUCMW-LLVKDONJSA-N 378.348 -0.012 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 747277058 FYCLSQAZXVNMIY-UHFFFAOYSA-N 391.453 -0.286 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)C1 758769767 JNYRPNOTMDJFKH-CMPLNLGQSA-N 398.445 -0.594 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 785656302 KBOGIYDFUHXVBQ-KXBFYZLASA-N 394.472 -0.235 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)CC1 793463091 AOKMFUUBRWVQLL-INIZCTEOSA-N 389.477 -0.159 30 20 GBED COC(=O)CNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1 795328963 XVLPHEOPPYWVNN-SNVBAGLBSA-N 383.382 -0.943 30 20 GBED C=CCN1CC[C@H](OC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C1=O 798637577 WLTDRKRIGOBUST-FZMZJTMJSA-N 395.437 -0.218 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)[C@@H]1CCCO1 809309987 AADMXFFPRHQBON-ILXRZTDVSA-N 383.470 -0.690 30 20 GBED C#CC[C@@H](CO)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 816670655 BIAILKOXTWHTKA-INIZCTEOSA-N 379.482 -0.198 30 20 GBED N#C[C@@H](c1cccs1)N1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 826379759 AKVPYHSPQKCEJC-NSHDSACASA-N 384.429 -0.071 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2COc3cc(OC)ccc3C2)CC1 831560484 AEGKKGDXINRRQG-OAHLLOKOSA-N 393.465 -0.142 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C(=O)OCC)C3(COC3)C2)C1=O 839366864 MFUSVGJYTXDSIR-UONOGXRCSA-N 393.440 -0.730 30 20 GBED C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 848942262 DTCULRHPAIUXMP-CYBMUJFWSA-N 385.467 -0.117 30 20 GBED C#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCn3ncnc32)cc1 848943398 YIGBAPILICJXNC-UHFFFAOYSA-N 381.439 -0.211 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1cccc(OCC(N)=O)c1 915785432 DCFJLYWNSONBPM-UHFFFAOYSA-N 382.380 -0.016 30 20 GBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@@H]1O 969418545 KSKRYFYDEUHATC-XDNAFOTISA-N 383.448 -0.377 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCOCC1 1109162778 WGTBKHNOGJZFDF-ILXRZTDVSA-N 379.461 -0.948 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@@H]1CCNC1=O 1110657876 COCFLJATRJZOGP-DGAVXFQQSA-N 377.445 -0.754 30 20 GBED C=CCn1c(Cc2nc[nH]n2)nnc1N1CCN(C(COC)COC)CC1 1121643159 VOTNJGQWTQWKRJ-UHFFFAOYSA-N 376.465 -0.044 30 20 GBED C[C@H]1CCC[C@H](NC(=O)CN2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)C1 1306965187 XDSXHROZIKEIKY-KBPBESRZSA-N 388.472 -0.238 30 20 GBED C=CCN(C(=O)CCn1cc(S(N)(=O)=O)cn1)[C@H]1CCS(=O)(=O)C1 1318164284 HUZFIARRELVJPW-NSHDSACASA-N 376.460 -0.878 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1)[C@H]1CCCO1 1323818881 BGOFBAJICADFDO-QWHCGFSZSA-N 399.494 -0.218 30 20 GBED C=CCN(C(=O)C(=O)NC[C@H](N1CCNCC1)C(F)(F)F)[C@@H](C)COC 1330527213 DWYCNZLCFPOSTD-STQMWFEESA-N 380.411 -0.012 30 20 GBED COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1332615094 BFFJVUWQKHOLMD-BZUAXINKSA-N 380.445 -0.878 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)CN2CCCC2=O)cc1 1340237639 SUSGKIRJNJHJHJ-AWEZNQCLSA-N 379.438 -0.689 30 20 GBED C=CCn1c(C[C@@H]2CCNC(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1340384559 HUGOPSQYGREGIX-HNNXBMFYSA-N 389.504 -0.257 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)C1 1345880577 XEWIWVQTTMUJML-BEFAXECRSA-N 385.424 -0.434 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccn3)CC2)CCN1C1CC1 1351848353 MROSSXHSSFLTLJ-SFHVURJKSA-N 382.468 -0.075 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)Nc1ccc(-c2nn[nH]n2)c(C)n1 1588351572 ZOCRTIWGNMCEEC-HIFRSBDPSA-N 384.444 -0.443 30 20 GBED C#CCN1CCN(c2nnc(Cn3cnc(-c4nn[nH]n4)n3)n2CC=C)CC1 1588353600 YHXROMJVSVTHDJ-UHFFFAOYSA-N 380.420 -0.961 30 20 GBED C#CCOCCC(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]21 1588358918 CMAKVPZBHCVYDF-SWLSCSKDSA-N 383.412 -0.092 30 20 GBED C#CCOCCC(=O)N[C@H]1CCN(c2ncc(-c3nn[nH]n3)cc2F)C[C@H]1O 1588361513 OVGIGMMCVVSNNS-UONOGXRCSA-N 389.391 -0.504 30 20 GBED C#Cc1cncc(C(=O)N(CCO)CCN=c2cc(C)[nH]cc2-c2nn[nH]n2)c1 1588376778 KRQAMDFZBDPTNJ-UHFFFAOYSA-N 392.423 -0.085 30 20 GBED C=CCCN1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1588609095 IXKHSPQESSTZCO-UONOGXRCSA-N 391.457 -0.306 30 20 GBED CCCN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@@H]1CCN(CC(=O)NCC#N)C1 1590618616 YKGOMFQGJKSIDQ-CYBMUJFWSA-N 385.432 -0.239 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CC(NS(C)(=O)=O)C2)C1 1679945229 UWEBFJAEMXQAGZ-JQWIXIFHSA-N 387.462 -0.312 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782963327 ZWCFMTBCVSUJQW-YWPYICTPSA-N 376.500 -0.288 30 20 GBED C[C@@H](Nc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783562981 UZCXJGOUNDHKGJ-AUUYWEPGSA-N 386.408 -0.200 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)[C@H]2C1 1791543685 KFDHABKPNVIFIV-LLLHUVSDSA-N 387.440 -0.930 30 20 GBED O=C(/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(O)O)c1cccs1 1792796058 KAPINHQARGLKFY-GIXKUNIKSA-N 380.422 -0.613 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1NC(=O)NC1=O 1794209102 DUECVZNZSVWSDP-ITGHMWBKSA-N 392.456 -0.204 30 20 GBED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(O)O)C3)c1Cl 1798588355 BBNBQJIDCCUWQI-GNXNZQSNSA-N 379.800 -0.274 30 20 GBED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1800544134 KXKYHWURKPZQGE-OPDFLTKYSA-N 388.415 -0.620 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2 1831012823 HSKMNXPDBUEXJK-IBGZPJMESA-N 391.424 -0.692 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1831433611 KJZHQBAKHXIMPC-CLCXKQKWSA-N 397.472 -0.442 30 20 GBED COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1834850951 WUYKLVJCEWDUGJ-GOSISDBHSA-N 379.413 -0.300 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836844118 ASHMSMFLBYSGBF-GOSISDBHSA-N 384.396 -0.287 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1839809143 GRUGENLXDLFWSS-HXUWFJFHSA-N 395.419 -0.030 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1841053089 VBDMKMVKKAXANZ-AFNCTOJWSA-N 397.497 -0.271 30 20 GBED Cc1nc(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)ccc1C#N 30694748 ZGRCGJDXZRODBE-UHFFFAOYSA-N 392.485 -0.488 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N(CC(N)=O)CC(=O)OCC)cc1 63477394 NDRRHWXVHQAMTP-UHFFFAOYSA-N 381.410 -0.911 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)N2CCN(C)CC2)cc1 263813195 XFVRGIDMKNDNSH-OAHLLOKOSA-N 378.498 -0.036 30 20 GBED CC(=O)NC[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCO1 268829106 LXRCILKGZAIZQU-WFASDCNBSA-N 394.453 -0.411 30 20 GBED Cc1cccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C#N 269738024 LWELRIYECILHFG-GFCCVEGCSA-N 385.467 -0.210 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CCC(=O)OC)C[C@H]2C)C1=O 271735434 ZPJGETPXCGGNAH-GFCCVEGCSA-N 380.401 -0.941 30 20 GBED O=C(C#Cc1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2nnc[nH]2)CC1 273136800 CIECKIMPYAHHIV-UHFFFAOYSA-N 389.393 -0.582 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC#CCO)CC2)o1 283749763 QCWBDSXKMUQPSF-UHFFFAOYSA-N 398.437 -0.031 30 20 GBED C[C@@H]1COCC[C@H]1/N=C(/O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 330324023 IBXIRUIICVABBK-HUUCEWRRSA-N 389.522 -0.565 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCCS(=O)(=O)N1CC[C@@H](O)C1 349595832 YCHJEIROZFITPZ-QWHCGFSZSA-N 397.544 -0.566 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 460708887 KRAJQCKQYJPDTQ-CYBMUJFWSA-N 393.407 0.265 30 20 GBED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(C)c1=O 505655132 BAFDTZGXTOLTOD-LBPRGKRZSA-N 387.465 -0.713 30 20 GBED CN(C)CCNC(=O)Cn1cc(NS(=O)(=O)c2ccc(C#N)nc2)cn1 525525554 RGQVLIAFCSTAOL-UHFFFAOYSA-N 377.430 -0.372 30 20 GBED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 546709455 QPMUBQADFVSSBB-UHFFFAOYSA-N 385.424 -0.072 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCOC[C@@H]1CCCO1 552685505 HPBAGSKOVWQYJQ-LBPRGKRZSA-N 378.433 -0.434 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)C1=O 564199615 WNMSGMHTGZLFFX-MGPQQGTHSA-N 376.413 -0.274 30 20 GBED Cn1ncc2c(N3CCN(C(=O)Cn4cc(C#N)ccc4=O)CC3)ncnc21 574585561 YQJPZSAXPIPWGU-UHFFFAOYSA-N 378.396 -0.255 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CCO)CCO)cc1 577005185 RBFCVHSXDRAWSG-GFCCVEGCSA-N 391.471 -0.806 30 20 GBED CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C)c(C#N)cn1 579490621 BGUVZUNOAIUEID-WDEREUQCSA-N 375.385 -0.227 30 20 GBED COC[C@H](C)NC(=O)NC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 582498076 JXHHDEPWJMZISO-ZDUSSCGKSA-N 391.428 -0.587 30 20 GBED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2CC2CC2)c1=O 596168468 WRSZFKHZCXLCTM-UHFFFAOYSA-N 399.476 -0.585 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCCc1nc(O)n[nH]1 748382253 IUIGRGUBTQRTFX-UHFFFAOYSA-N 378.414 -0.312 30 20 GBED CN(C(=O)COC(=O)CNS(=O)(=O)c1cn(C)cn1)C1(C#N)CCCCC1 756452687 OJQDUTYIHUPRNW-UHFFFAOYSA-N 397.457 -0.074 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCC(=O)N2CCOCC2)[C@H](C#N)C1 758664165 XZHSSDIHPQHRPO-CHWSQXEVSA-N 381.433 -0.097 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 785656285 KBOGIYDFUHXVBQ-BEFAXECRSA-N 394.472 -0.235 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCC[C@H](NC(=O)N(C)C)C1)c1cc[nH]n1 837138473 WHFVFLVRHCAPEQ-LBPRGKRZSA-N 394.432 -0.044 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CNC[C@@H]2C#N)cc1 843460110 MGUNDCDCOJNSPT-WFASDCNBSA-N 379.442 -0.459 30 20 GBED C#C[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 854778849 JLSAEMOJVTWASI-NSHDSACASA-N 384.414 -0.196 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2C)CC1 872515395 MMCJKIMANMQGML-UHFFFAOYSA-N 375.447 -0.092 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(N(C)C)n2)CC1 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30 20 GBED CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)O1 1343310769 WPIOMOVVMQIKAN-ZIAGYGMSSA-N 388.428 -0.767 30 20 GBED CCc1c(C(=O)N2CCN(CCC#N)CC2)cnc2c1c(=O)n(C)c(=O)n2C 1471237336 PWYGIBDLCCAVQE-UHFFFAOYSA-N 384.440 -0.134 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[nH]n2)cc1F 1588351443 UWRKLOWGQKEZGT-JSGCOSHPSA-N 388.407 -0.613 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)cn1 1588407184 ZYDBGYWKCIOMLK-KBPBESRZSA-N 388.432 -0.378 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588665407 KPUJTJASPITQLT-NSHDSACASA-N 389.416 -0.521 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCCn2ccccc2=O)C[C@@H]1O 1757212659 RXKIGMLSVUINJJ-NCOADZHNSA-N 389.452 -0.093 30 20 GBED CC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779106489 KJOIJWVEELWZMX-HUWVGRHQSA-N 396.444 -0.519 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@H](O)C3)C[C@@H]21 1783530766 BXUXPZNXXWVDQR-CWMLVCKKSA-N 391.468 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-0.186 30 20 GBED CCN1CCC[C@H]1CN/C(N)=N/CCS(=O)(=O)NC[C@H]1CCCCO1 304762250 VKXQRNSEYGVQIT-LSDHHAIUSA-N 375.539 -0.137 30 20 GBED CCc1c(/C(O)=N/C[C@H]2CN(C)CCN2C)cnc2c1c(=O)n(C)c(=O)n2C 328675590 KTCNGQDUDIZIPC-LBPRGKRZSA-N 388.472 -0.255 30 20 GBED CO[C@@H]1[C@H]2C[C@@H]3CN(S(=O)(=O)CCCS(=O)(=O)NCC#N)[C@H]1[C@H]3C2 349478696 KYKBEEFLAVNQGM-ZUWCUPBKSA-N 377.488 -0.496 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCS(=O)(=O)CC1 364461696 XEIRGOMCGUTYSH-LBPRGKRZSA-N 385.467 -0.128 30 20 GBED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@@H](C(N)=O)C2)CC1 367647715 ZDJGQHCJBWDTDJ-ZIAGYGMSSA-N 377.470 -0.357 30 20 GBED CCN1CCN(C[C@H](C)CNS(=O)(=O)N(CCC#N)CCOC)CC1 410153578 FWVRKEAWXSJDSI-MRXNPFEDSA-N 375.539 -0.044 30 20 GBED CCN1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1=O 410594903 WMFKTIPUMBVPGY-KRWDZBQOSA-N 383.452 -0.086 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCOC[C@@H]1C[C@@H](C)O 442505466 HFOXZBLIIMXRQB-HIFRSBDPSA-N 398.423 0.384 30 20 GBED COc1ccc(C(=O)N2CCN(C(=O)NCC(=O)NCC#N)CC2)cc1OC 511900457 GXCSWYIDAXJJGS-UHFFFAOYSA-N 389.412 -0.189 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2c[nH]c3ncccc23)CC1 514626388 WKJXFWMEPREKJF-UHFFFAOYSA-N 398.467 -0.332 30 20 GBED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NCC(=O)N1CCNCC1 575974474 JEZCFUHSMKSNAI-UHFFFAOYSA-N 389.412 -0.343 30 20 GBED CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncc(C#N)s1 594636026 JRHHHPCWDHRBGX-UHFFFAOYSA-N 376.485 0.431 30 20 GBED C[C@@H](OC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)N(C)CCC#N 785653656 BWVOVCVXUVFHEZ-CABCVRRESA-N 380.445 -0.529 30 20 GBED CC(C)OCCS(=O)(=O)NCC(=O)O[C@H](C)C(=O)NC1(C#N)CCC1 787729754 UQNRTKQGFKCGQJ-GFCCVEGCSA-N 375.447 -0.175 30 20 GBED COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)NCCNc1ncccc1C#N 787787775 ORGONBNOBVAPDV-CABCVRRESA-N 391.428 -0.582 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](OCCOC)C2)c1=O 800850691 RTFBNGYSIYEXAM-HNNXBMFYSA-N 380.445 -0.371 30 20 GBED CN(C)c1c(C=NNc2ccc(S(N)(=O)=O)cc2)c(=O)n(C)c(=O)n1C 807940034 SPAMKBNCMAWALS-UHFFFAOYSA-N 380.430 -0.757 30 20 GBED CCO[C@H](CNC(=O)c1c[nH]c(C#N)c1)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 825577114 TTZBUCYMTIZZQK-CYBMUJFWSA-N 397.399 -0.041 30 20 GBED C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN(CC#N)CC(=O)O)C1=O 828087550 BEQRMWSLJUTCOU-SFHVURJKSA-N 387.396 -0.129 30 20 GBED C[C@H](CC(=O)N[C@@H]1CC(=O)N(C)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 848047116 DKKSZQOSZRSJRI-MWLCHTKSSA-N 378.410 -0.623 30 20 GBED C[S@](=O)CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC1(C#N)CC1 848956349 QNQMBRLSPQYKAX-QFIPXVFZSA-N 391.496 -0.322 30 20 GBED N#CC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccsc2C(N)=O)C1 848960191 WUYDNYZRALPAIT-UHFFFAOYSA-N 392.484 -0.236 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1nonc1C)[C@H]1CCCO1 848963409 QQRNKUSVNVBHEO-VXGBXAGGSA-N 392.459 -0.390 30 20 GBED CS(C)(=O)=NS(=O)(=O)N1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 853669599 UDULUVLJELGVNQ-UHFFFAOYSA-N 388.431 -0.044 30 20 GBED C#CCCCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@@H]1CCOC1 910135876 NZJBMDZYLDGXOU-LSDHHAIUSA-N 386.456 -0.583 30 20 GBED Cn1cnc2c1c(=O)n(CC(=O)[C@H](C#N)C(=O)NCc1ccccc1)c(=O)n2C 916887605 QMTLHWIBYGZQIN-ZDUSSCGKSA-N 394.391 -0.541 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn(C)c2N)C1 962430404 OXHJIWQXHGBXKI-ATGSNQNLSA-N 377.445 -0.325 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@@H]1O 964613864 QVIMEGZCYIHHGY-RZFFKMDDSA-N 386.412 -0.593 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2c(O)nnc2O)nc1 1004742720 QJCCHNDLFJEOSJ-BNOWGMLFSA-N 382.380 -0.373 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2COC)C1 1024343355 CEPLBFFVSXVEKS-CUBALJKWSA-N 378.429 -0.541 30 20 GBED C=CCN1CC[C@H](N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2C(=O)CNC2=O)C1=O 1098343566 HRXYKDPAEQZYLP-MQYQWHSLSA-N 375.429 -0.953 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cccc(-n2cncn2)n1 1109904131 BPAKIAFCGJHTSA-KBMXLJTQSA-N 379.424 -0.253 30 20 GBED C=CCn1c([C@H]2SCCNC2=O)nnc1N1CCN(CCOC)C(=O)C1 1262944109 IBSYFILZGQXIGE-CYBMUJFWSA-N 380.474 -0.337 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2nnc(SC)s2)CC1 1323717484 NOOSJLRTCJLIIH-UHFFFAOYSA-N 381.483 -0.136 30 20 GBED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCC1(O)CCS(=O)(=O)CC1)CC2 1325725124 ZWDDXHRZMMPFFI-UHFFFAOYSA-N 377.422 -0.497 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCCn1cccn1 1327463509 VGSRPVQDFDYJJR-CQSZACIVSA-N 382.428 -0.212 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC(CN3CCOCC3)CC2)CCN1C1CC1 1331945048 CLWDPKFVNAVUOQ-GOSISDBHSA-N 389.500 -0.244 30 20 GBED C#CCOCCC(=O)N1CCO[C@H]([C@@H](C)Nc2nccnc2-c2nn[nH]n2)C1 1573288599 WHLHEBSIUWLKTE-OLZOCXBDSA-N 386.416 -0.276 30 20 GBED C=CCn1cc(C(=O)N2C[C@H]3CCN([C@H](C)C(=O)NCc4cnn[nH]4)C[C@H]32)nn1 1575111527 GBLIQURTVJTSCB-XJKCOSOUSA-N 399.459 -0.567 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 1588351583 ZVAURFNQDNHICX-KBPBESRZSA-N 381.444 -0.161 30 20 GBED C#Cc1ccccc1CC(=O)N(CCO)CCN=c1cc[nH]c(-c2nn[nH]n2)n1 1602742765 KCSCAUIKHRXTGZ-UHFFFAOYSA-N 392.423 -0.465 30 20 GBED C=CCOCC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1602868168 ITDUQVWBDSCXGH-INIZCTEOSA-N 375.389 -0.909 30 20 GBED N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccncc3-c3nn[nH]n3)C[C@@H]2O)[nH]1 1606367377 IKZCWEFPJQGFBU-DOMZBBRYSA-N 379.384 -0.169 30 20 GBED N#Cc1cn(CC(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)c(=O)nc1O 1630886919 RZANEMIDJNNWIV-JTQLQIEISA-N 387.318 -0.120 30 20 GBED COCCN(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1698027929 WXBFRMNVCKKBGR-OAHLLOKOSA-N 391.476 -0.179 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COCCO)C1 1780762074 ZXNQXPSAQGEFBV-GPMSIDNRSA-N 382.457 -0.453 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1781271974 UWOVYNZWANTYFJ-LIRRHRJNSA-N 393.440 -0.538 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1782751694 HBXOIIWAIWGBFW-DAYGRLMNSA-N 375.429 -0.293 30 20 GBED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@H](NC)C(=O)O)C[C@@H]32)C1 1783461267 GYSJIFVLIRZPIV-TUUVXOQKSA-N 379.457 -0.005 30 20 GBED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1783895785 TXYFQCXTTUPHKC-YWPYICTPSA-N 376.500 -0.288 30 20 GBED CN1N=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)CCC1=O 1786694890 BKCQQAGEUGUBPQ-YDHLFZDLSA-N 387.440 -0.122 30 20 GBED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)nn3)[C@H]2C1 1790589157 LGGOLDRFJLRBSP-AVGNSLFASA-N 375.385 -0.546 30 20 GBED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1)C(F)(F)F 1792285561 HJVPTZDMACKJIG-DCAQKATOSA-N 378.351 -0.247 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1(O)CCC1)C2 1792491499 ZHXOKUMEFSHSOF-KQLJBOCNSA-N 391.468 -0.261 30 20 GBED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O 1793830211 YOLQIIOFYCXMEN-JLUCKKNBSA-N 398.485 -0.918 30 20 GBED COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795411092 QOSAWWOGNMGDMG-LXTVHRRPSA-N 378.429 -0.969 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1796184598 OVTNCXQZPILPSD-YIYPIFLZSA-N 398.423 -0.292 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C 1799369610 AGTFMRHAEGGKFZ-LFYQSXPISA-N 377.441 -0.765 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=S)NCC 1800183541 XLIJRCQFLQWRPF-HGTKMLMNSA-N 398.529 -0.349 30 20 GBED CC(=O)N[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1825229870 YABZOESRDIYNKX-PSASIEDQSA-N 378.410 -0.332 30 20 GBED C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2)n1cnnn1 1826985643 WACLZRNGMRTCTB-RKDXNWHRSA-N 389.397 -0.609 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)OC)CCO2 1829931940 TWFMZUKAHWFFQI-DNVCBOLYSA-N 382.457 -0.094 30 20 GBED C[C@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834755854 FDHSUIQLIAMGLY-CRAIPNDOSA-N 375.429 -0.111 30 20 GBED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835339318 METSEJDDUZUDKO-HNAYVOBHSA-N 392.456 -0.339 30 20 GBED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)C(O)O)CC2)CC1 1835729436 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CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCn2cncc2C1 349496867 HMCDRQUNXVOVDH-CYBMUJFWSA-N 389.503 -0.018 30 20 GBED N#CC1CN(S(=O)(=O)CCCS(=O)(=O)N=c2cc[nH]c3ccncc23)C1 349501294 MOBQVUYVBIHWOJ-UHFFFAOYSA-N 395.466 -0.031 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)n1 443126395 YUDGIEZOQBIANQ-UHFFFAOYSA-N 375.477 0.416 30 20 GBED COC(=O)[C@H]1CS(=O)(=O)CCN1CCS(=O)(=O)c1cccc(C#N)c1 460408436 VPDSVUDLZYOMJP-CQSZACIVSA-N 386.451 -0.396 30 20 GBED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 470371798 IHICLSZWPHGZML-AWEZNQCLSA-N 377.445 -0.712 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)NCCNS(=O)(=O)Cc2ccon2)cc1 474483458 ADRNAFCYTUOWQC-UHFFFAOYSA-N 391.409 -0.488 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCNC(=O)N(C)C 538624727 IJGGZSHDHWXVPM-LBPRGKRZSA-N 381.458 -0.045 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)Cn3cccn3)CC2)c1C#N 555581633 DHOYBZQAWWWNDK-CYBMUJFWSA-N 384.444 -0.350 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(CC(=O)OC)CCOCC2)C1=O 567397887 BIOHEPYGNOQVJR-UHFFFAOYSA-N 381.385 -0.561 30 20 GBED CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 574728541 PJVGZGIGQCTRDI-LBPRGKRZSA-N 396.411 -0.003 30 20 GBED COC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1 575762299 OOASGUQYRMBWIH-PHIMTYICSA-N 387.439 -0.282 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3CCO[C@@H]([C@H](C)N)C3)CC2)c1C#N 591582535 BIWFLOGCSGNUIP-SMDDNHRTSA-N 392.485 -0.454 30 20 GBED CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)ccc1C 592304371 KIMDFYDTUUPHRZ-MRXNPFEDSA-N 380.426 -0.281 30 20 GBED CS(=O)(=O)N1CCN(CCNC(=O)C(=O)Nc2cccc(C#N)c2)CC1 609812033 YRWLONBXIWXRRC-UHFFFAOYSA-N 379.442 -0.810 30 20 GBED COc1cc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)ccc1OCC(N)=O 619707760 DGDBNINWNGDHFZ-GFCCVEGCSA-N 384.414 -0.882 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCNC(=O)C2)cc1 726856278 FJOSWENMZIIPIV-UHFFFAOYSA-N 394.453 -0.220 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 745434428 RLNYVAQHEZUXQI-LBPRGKRZSA-N 380.422 -0.157 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CC1 754804681 JWFWNPGMPIIWNQ-UHFFFAOYSA-N 398.445 -0.743 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)OC)c1 760205751 FMJSVLHFSJUXDA-HNNXBMFYSA-N 390.421 -0.165 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CNC[C@@H]2C#N)cc1 834498641 BDEZLRWAGIBMNT-GXTWGEPZSA-N 380.426 -0.631 30 20 GBED Cn1cc(C=NNc2ccc(S(=O)(=O)NC3CC3)cn2)c(=O)n(C)c1=O 914698373 WROFFIDAJMTQPD-UHFFFAOYSA-N 378.414 -0.634 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnc3[nH]nnc23)C[C@@H]1O 964489856 LOEOTBWRRZGMTO-XFMPKHEZSA-N 386.412 -0.364 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccn3c(O)nnc23)C[C@@H]1O 970702383 QGDOYRFZCHDJSA-ZZVYKPCYSA-N 387.396 -0.673 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCS(=O)(=O)N2)c1 1001897238 LCBUGNWNYHDYTH-CZXHOFHRSA-N 377.426 -0.560 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1O 1023960164 BTJNJGJRAUVQFQ-GBOPCIDUSA-N 378.429 -0.994 30 20 GBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)c(C#N)cn1 1041347517 YNCXNYXLZLULKH-DZUCGIPZSA-N 387.440 -0.437 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1n1ccnn1 1069929432 FFKGVTJMOGLGLC-WCVJEAGWSA-N 376.461 -0.311 30 20 GBED C=CCNC(=O)NC(=O)CN1CC[C@@H]2CCN(C(=O)[C@@]34COC[C@@H]3C4)C[C@@H]21 1222715324 JVTFINCHLRMPBE-QZNHQWIBSA-N 376.457 -0.043 30 20 GBED Cn1cnn(-c2ccc(NC(=O)C(=O)NC3CCN(CC#N)CC3)cc2)c1=O 1254062857 YMBNDNQZSQMFDG-UHFFFAOYSA-N 383.412 -0.386 30 20 GBED CN(C)C(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1314640743 XXJGPVVCUCSKFF-CQSZACIVSA-N 381.444 0.000 30 20 GBED N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCn2ccnn2)CCO1 1316535352 KWYWDEUUFTZVHO-AWEZNQCLSA-N 385.432 -0.075 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](CC)N(C(C)=O)C[C@@H]1CC 1323996515 BXRBZRSVWOIZPQ-CABCVRRESA-N 387.502 -0.049 30 20 GBED C[C@]1(c2ccc(CNC(=O)C(=O)N3CC[C@@](F)(C#N)C3)cc2)NC(=O)NC1=O 1324174068 OAXZORJAVONIAP-QZTJIDSGSA-N 387.371 -0.178 30 20 GBED C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1326651255 IOZFFIMOKBJLRG-GDBMZVCRSA-N 392.481 -0.228 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)C1 1332375891 GMTZOMVZTLENQZ-IBGZPJMESA-N 384.436 -0.091 30 20 GBED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CCO)CC2)cc1 1332596955 RDTZULCPVJUZJD-ZDUSSCGKSA-N 394.453 -0.553 30 20 GBED C=CCn1c(CN2CCC[C@H](O)C2)nnc1N1CCN(C(=O)COC)CC1 1355967999 IXFWDFNQOOFUCI-HNNXBMFYSA-N 378.477 -0.284 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573310112 UGFIQKGBFSAETF-SJORKVTESA-N 389.416 -0.785 30 20 GBED C#CCOCCC(=O)N1CCO[C@H](CN=c2cc(C)[nH]cc2-c2nn[nH]n2)C1 1588359424 NYASNTMLCOZIQR-CQSZACIVSA-N 385.428 -0.329 30 20 GBED C#C[C@H](NC(=O)C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@H]2C(=O)O)[C@@H]1CCCO1 1588371007 TWJWWZUDZNVXKS-LHEWDLALSA-N 378.381 -0.853 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@@H]2O)c1 1588379880 PRSGKHONRGURQQ-CABCVRRESA-N 394.370 -0.243 30 20 GBED C#Cc1cncc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)CCO2)c1 1588381334 YLLZFGCMOMWWLL-CQSZACIVSA-N 391.395 -0.332 30 20 GBED C=CCOCC(=O)NCCN1CCC(Nc2ccc(-c3nn[nH]n3)nn2)CC1 1588676092 NRNCMDKUNFUDFK-UHFFFAOYSA-N 387.448 -0.148 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)cc1 1588843868 JXPYQZIWSAHDAN-TZMCWYRMSA-N 375.381 -0.165 30 20 GBED N#CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C12CCC2 1592678070 NUKRUWNNFPZGSA-CHWSQXEVSA-N 383.416 -0.535 30 20 GBED COC[C@@]1(C(=O)O)CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 1593961412 BCDOVODCQUZSMN-MRXNPFEDSA-N 381.410 -0.214 30 20 GBED C#CCOCCC(=O)N1C[C@H]2CCN(c3cncc(-c4nn[nH]n4)n3)C[C@H]2C1 1602727374 OHCPYAONDCLIIB-KGLIPLIRSA-N 382.428 -0.019 30 20 GBED CCS(=O)(=O)NCCn1c(C(=O)NC(C)C)nnc1N(C)C[C@H](C)C#N 1710897631 VZDMEPCTEPOVBR-GFCCVEGCSA-N 385.494 -0.049 30 20 GBED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)Cn1nccn1)CCO2 1779018948 LVOPUWUTUNMCCC-AGKWGAAGSA-N 389.460 -0.420 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NNC(=O)C2)C3)c1 1780180993 ZZWLSUIMSBZFPQ-DNVCBOLYSA-N 398.423 -0.110 30 20 GBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780203301 BMHBEBPEYCBCRE-LJQANCHMSA-N 397.391 -0.245 30 20 GBED O=C(C#CC1CC1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782951723 CSDGKDCEKAYTMB-YJBOKZPZSA-N 380.466 -0.193 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nnsc1C1CC1)CCO2 1783561933 QSXFNMDYHNTLKB-QGZVFWFLSA-N 390.421 -0.053 30 20 GBED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1784198622 SGMFGNWASBFCMD-UYAOXDASSA-N 393.484 -0.340 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1785031789 ATWWPXYXLYFJAF-AJNGGQMLSA-N 392.456 -0.270 30 20 GBED CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1788612909 LCMIXIJPXKPYES-IHRRRGAJSA-N 381.502 -0.246 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOC)C2 1792485707 PLYBSGJWIAOUAW-KQLJBOCNSA-N 395.456 -0.903 30 20 GBED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)c1cc(=O)n2[nH]cnc2n1 1795727197 RWTGJMLKWMFJDV-FVCICTRLSA-N 396.407 -0.966 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1799305568 SMGFTBRNXFJRMR-SUMFAMOZSA-N 392.452 -0.022 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@H]2COC[C@H]21 1801600656 LGQNTTLHKYAYBQ-LZEWCKNJSA-N 390.484 -0.250 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccnc1OC)CCO2 1833511212 YCCDKBWXWDMUGV-LJQANCHMSA-N 388.424 -0.031 30 20 GBED Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)n1 1833875943 TXHZEQLDBRFTOH-KRWDZBQOSA-N 376.417 -0.565 30 20 GBED Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)n1 1833886401 UDUIBDURCCSVGP-SFHVURJKSA-N 388.428 -0.421 30 20 GBED C#CCCCC(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834678451 RPELNEAKARPXLE-UHFFFAOYSA-N 376.505 -0.155 30 20 GBED Cc1nn[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1836296024 ZBIBGYSKMQXGIX-KRWDZBQOSA-N 376.417 -0.267 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(NC(C)=O)o1)CCO2 1837453811 QTVOCBZSYGYJIF-GOSISDBHSA-N 375.381 -0.059 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1839808915 KWTYIHLBRWJEEW-GOSISDBHSA-N 395.362 -0.053 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)NC(N)=O)C(C)C)c1 16558229 FXZUKWNWABBXHL-ZDUSSCGKSA-N 381.410 -0.026 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1F 293502278 RVLBJWZESOKSHT-UHFFFAOYSA-N 376.435 -0.708 30 20 GBED C[C@H](O)CN1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 297608220 DJHZHZWXQFDQKE-HKUYNNGSSA-N 399.495 -0.252 30 20 GBED CS(=O)(=O)[C@H]1CCN(/C(O)=N/[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 329418398 DQJYXSZOJCDUCS-YPMHNXCESA-N 379.504 -0.024 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 409474554 KGRVHTFIDZABRN-ZFWWWQNUSA-N 395.485 -0.485 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@H](S(N)(=O)=O)C3)C2=O)cc1 409620193 HVGPDTAIBWKBQA-LSDHHAIUSA-N 391.453 -0.268 30 20 GBED CC[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1cccc(S(N)(=O)=O)c1 410144037 UYMIYPMTHDKIIA-JSGCOSHPSA-N 388.471 -0.156 30 20 GBED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1CNCCCO1 420179389 BOPGNKPCQFUDGL-GOSISDBHSA-N 387.484 -0.057 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CC(=O)NCCO)cc2)C1=O 426888199 FGLYEWWMEXZEHK-UHFFFAOYSA-N 388.380 -0.747 30 20 GBED CCC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 441584449 JEAIJIRMWRJKBL-CQSZACIVSA-N 395.423 0.513 30 20 GBED COCCOC[C@H](C)NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460622172 UXIOBVIDKUKRIY-ZDUSSCGKSA-N 386.412 0.554 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](CC(C)C)N2CCOCC2)C1=O 499102840 VUBDYOVLZZUBLM-AWEZNQCLSA-N 380.445 -0.174 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@H]2COCCN2)CC1 529376362 UQKCQXMUDYEOMR-HNNXBMFYSA-N 393.469 -0.437 30 20 GBED CCS(=O)(=O)N1CCN(S(=O)(=O)N(CCC#N)CCOC)[C@H](C)C1 557849645 LDSGGKDJOHDAOC-CYBMUJFWSA-N 382.508 -0.551 30 20 GBED N#Cc1cc(CN2CCOCC2)cn(CC(=O)N2CCCC[C@H]2C(N)=O)c1=O 577651832 SMGDKLLGKVXFGB-INIZCTEOSA-N 387.440 -0.581 30 20 GBED COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 581072948 BBUNUMXTFYDZQK-OCCSQVGLSA-N 381.410 -0.375 30 20 GBED CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)NC2(C(N)=O)CCC2)c1 594629813 FZEQXXHXIXGTRU-UHFFFAOYSA-N 386.455 -0.483 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cnn(C[C@@H](O)CO)c3)C2=O)cc1 597563153 QKUNJOIRSBKKCK-IAGOWNOFSA-N 383.408 -0.361 30 20 GBED CCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CC)c2=O)cn1 732563409 YDKJOELZLLWQKG-UHFFFAOYSA-N 375.454 -0.588 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC[S@@](C)=O)cc1 737292829 GTSDUHCUZWRBCO-XMMPIXPASA-N 387.483 -0.074 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCc3ccccc3C2)CC1 761032200 GGVCLSUYRICVDV-UHFFFAOYSA-N 376.482 -0.344 30 20 GBED CNC(=O)[C@H](O)CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 763723944 KJYGMJTWVPPCAV-CYBMUJFWSA-N 396.469 -0.491 30 20 GBED CCOC(=O)CON=C(C(=O)NC1(c2nn[nH]n2)CCCC1)c1cc[nH]n1 772274522 FIWBPGAKPAXKEP-UHFFFAOYSA-N 376.377 -0.208 30 20 GBED CCOC(=O)CON=C(C(=O)N[C@@H](C)c1nnnn1C1CC1)c1cc[nH]n1 772655810 MMMYKFYZUAGYHL-VIFPVBQESA-N 376.377 -0.108 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC3(CC2)OCCCO3)c1=O 840085030 BKSOCZINSDTKCO-UHFFFAOYSA-N 378.429 -0.270 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 850605882 MLMBXUGNPUPAFT-TZMCWYRMSA-N 384.385 -0.296 30 20 GBED CC(C)(C)OC(=O)NCCOCC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 863935333 WTBHRMNNHHIRFD-UHFFFAOYSA-N 393.400 -0.255 30 20 GBED C#CCNC(=O)CCN1CCN(CCNS(=O)(=O)c2ccccc2)CC1 931125431 GRCOYPMDCFLRGN-UHFFFAOYSA-N 378.498 -0.278 30 20 GBED C=CCn1cc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)C[C@H]32)nn1 972222697 UJAOUDLXTBWCJN-MUIFIZLQSA-N 388.472 -0.144 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1c(O)nnc1O 996977620 XSHRADJKUWYOBF-DGTMBMJNSA-N 391.428 -0.081 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2CCNC(=O)C2)cc1 1004923472 NVXWOYLSSPJXGZ-KURKYZTESA-N 380.448 -0.039 30 20 GBED C=CCCOCC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1049189355 YPMUICPEIPMYFX-IQWQSGHPSA-N 382.457 -0.339 30 20 GBED Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccncc2C#N)c(=O)n(C)c1=O 1055102636 YFQTZWAIBCWPCL-INWMFGNUSA-N 380.408 -0.110 30 20 GBED Cn1c(=O)ccn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccncc2C#N)c1=O 1055465579 QHKUUQHBXZASPW-FMKPAKJESA-N 380.408 -0.260 30 20 GBED CCS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(C#N)n1 1093054910 XLHFXUIEMFKIOG-MCIONIFRSA-N 378.458 -0.178 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 1109721818 ZQZSMAXEWOMWGR-SEBNEYGDSA-N 391.472 -0.379 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNC(=O)NC(C)(C)C 1110462165 ZXGYJFFMUCYNEG-KFWWJZLASA-N 377.489 -0.055 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc(-n2cncn2)nc1 1110876669 SJIIRVUZKFYFNB-OAGGEKHMSA-N 379.424 -0.253 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 1116956674 IFKJOOSYEJHCKD-UHFFFAOYSA-N 386.408 -0.523 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)nn1 1118172124 BQDFCQKPTZATPL-UHFFFAOYSA-N 398.471 -0.457 30 20 GBED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CC[C@@H](O)C2)cc1 1118940112 WKTGGLGBKSDUDP-TZMCWYRMSA-N 394.453 -0.506 30 20 GBED N#Cc1cn(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c(=O)nc1O 1137593123 MBJIIZIQMJNMAB-DLBZAZTESA-N 397.435 -0.180 30 20 GBED Cn1c(Cc2ccc(C#N)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1263511018 XFWXXJLQSHUYLO-UHFFFAOYSA-N 392.427 -0.387 30 20 GBED CS(=O)(=O)CCCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1322314494 DDULHHQKBJYUMF-UHFFFAOYSA-N 379.442 -0.847 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1)[C@@H]1CCCO1 1323820988 YXJTUAGKEHZLQB-IRXDYDNUSA-N 385.420 -0.026 30 20 GBED NC(=O)N1CCC[C@@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1324326810 IKJBKDYQMAJTLX-NSHDSACASA-N 379.442 -0.368 30 20 GBED C[C@@H]1CC[C@@H](C)N1CCN1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1326251536 ZCLGMEABUPKARY-MBOZVWFJSA-N 391.516 -0.120 30 20 GBED C#CC1CCN(C(=O)C(=O)N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)CC1 1326265128 YDWICCBLUYCKNN-INIZCTEOSA-N 399.513 -0.243 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCC2(S(C)(=O)=O)CCC2)CC1 1327746427 KVYQKKLGIRHDHF-UHFFFAOYSA-N 383.470 -0.942 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H](C(=O)NCCC)C2)C1=O 1331193556 QDAWYDBQIAFPIT-HUUCEWRRSA-N 378.473 -0.004 30 20 GBED C=CCn1c([C@H]2CCC(=O)NC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1339743848 JOHYTCUPBZWVTA-AWEZNQCLSA-N 375.477 -0.332 30 20 GBED C=CCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@@]1(O)CCOC1 1339911672 URGPHERQROYICO-RDTXWAMCSA-N 377.445 -0.100 30 20 GBED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1341067455 NAFVKUYXHWJMTF-LBPRGKRZSA-N 380.426 -0.097 30 20 GBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1341315615 BRYDTLPSIQNSTN-CQSZACIVSA-N 396.455 -0.112 30 20 GBED CCOCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1343273946 UTUQOFRPFHTERV-MELADBBJSA-N 399.469 -0.726 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(C(=O)N(CC)CC)CC1 1343310137 FMVOTJVEPQAWMZ-UHFFFAOYSA-N 388.490 -0.691 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H](C)OCc2cnn[nH]2)cn1 1575022480 QCXUTIATLVIGRG-MLGOLLRUSA-N 386.412 -0.665 30 20 GBED C#Cc1cncc(C(=O)NC[C@@H](C)N(C)C(=O)CC(=O)NCc2cnn[nH]2)c1 1575032706 JLAMWEARCJQQLR-GFCCVEGCSA-N 383.412 -0.536 30 20 GBED C#CCNC(=O)CC(=O)N1C[C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C1 1588353886 AKZFYWLFLKWMEH-SMDDNHRTSA-N 396.411 -0.993 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)O)cc1 1588843641 CKQSDHBDJHTLTK-KGLIPLIRSA-N 375.381 -0.023 30 20 GBED N#CC1(C(=O)O)CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 1601049687 UNCCZFHIOXVQFY-LLVKDONJSA-N 396.425 -0.631 30 20 GBED CC(C)(C)OC(=O)NCCN(CCO)c1cnc(C#N)c(-c2nn[nH]n2)n1 1603097094 LXRTZEODOMKLIT-UHFFFAOYSA-N 375.393 -0.148 30 20 GBED COCCN(CCNC(=O)c1ccc(C#N)[nH]1)c1ccnc(-c2nn[nH]n2)n1 1605100022 WMLHCTMRHNREHM-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED O=C(CC#Cc1ccccc1)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O 1606488640 QCUWKZQHWCURIC-CVEARBPZSA-N 390.407 -0.236 30 20 GBED N#Cc1cn(CC(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)c(=O)nc1O 1629823293 ZTJZZWBPYWRXGE-AWEZNQCLSA-N 397.391 -0.383 30 20 GBED Cn1ccnc1[C@H](O)C1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1632290431 LJWTUYNUYJLGGS-OAHLLOKOSA-N 386.412 -0.084 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)CN)CCO3)c1Cl 1780192638 ZXSBPQGIWYEVLE-KSSFIOAISA-N 391.859 -0.059 30 20 GBED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)S)C3)C2)no1 1783893641 OVARLLBGJPVFFJ-SJCJKPOMSA-N 396.469 -0.139 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)CC(N)=O)C2 1792562099 PMZHFRYJCQRLNJ-DPMPDIIESA-N 376.457 -0.006 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncnc3)C2)C1 1831390902 ADCJNXOUFGRBTA-DNVCBOLYSA-N 388.424 -0.415 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1831435276 OLHMUUBAYUHQTO-QAPCUYQASA-N 386.445 -0.957 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831563434 DZQQAPBWOOEFMY-SUMWQHHRSA-N 399.469 -0.530 30 20 GBED COC(OC)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833391397 MFUCPQJUTFDFSW-UHFFFAOYSA-N 381.429 -0.735 30 20 GBED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CC(=O)NC)CC2)CC1 1833465113 LYZOGUADZMQEKW-OAHLLOKOSA-N 392.500 -0.268 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1837393658 YNHUHXWYKKHBCM-IFXJQAMLSA-N 397.472 -0.848 30 20 GBED CC(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837561162 CBLHCMZWZSBBFQ-KDCXGNEQSA-N 377.397 -0.256 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1840157340 LQWMVEOQVDAEPY-GDZNZVCISA-N 385.486 -0.713 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840160811 SRDHMLHETUCOMD-MKBNYLNASA-N 388.490 -0.792 30 20 GBED C#CCNC(=O)COC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 10690862 WFOMROXRAAZJSN-UHFFFAOYSA-N 393.421 -0.616 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)N(CC)CC)CC2)C1=O 298785882 IEMSQBYTRWUVTQ-UHFFFAOYSA-N 379.417 -0.431 30 20 GBED CC(=O)N1CCN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)[C@H](C)C1 349501220 GJRVVMNDAWAUIQ-NWDGAFQWSA-N 380.492 -0.910 30 20 GBED COC1(C)CN(S(=O)(=O)CCCS(=O)(=O)Nc2n[nH]c(C)c2C#N)C1 349530128 XLHHHNDTSLVYOC-UHFFFAOYSA-N 391.475 -0.228 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)C1=O 369358985 ONAZEXZILFVPKQ-CQSZACIVSA-N 377.445 -0.798 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCC(=O)NCC(F)F)n2)c(F)c1 373767838 CJSMABWOMJRECW-UHFFFAOYSA-N 394.313 0.319 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCc3cn(CCOC)nc32)C1=O 374744452 RRKXUNOMUXNLQY-CYBMUJFWSA-N 389.412 0.000 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCCN1C(=O)NC2(CCCC2)C1=O 409508164 CLKHBWWDAUTYQM-UHFFFAOYSA-N 387.462 -0.453 30 20 GBED N#CCC[C@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1)c1ccccc1 424488931 NWIGBXIAMPHFNM-KBPBESRZSA-N 393.421 -0.142 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 543753718 AZHJCSQGUVDLPE-LLVKDONJSA-N 383.478 -0.138 30 20 GBED C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)NCCN(C)C 573391077 NGXHFYGQROOJHP-CYBMUJFWSA-N 395.485 -0.325 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)CC1 576968020 NCGVQLIQGMMMJK-UHFFFAOYSA-N 379.380 -0.266 30 20 GBED CCN1CCN(CCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 578377922 FUTBNYUFMJVRLN-UHFFFAOYSA-N 379.486 -0.410 30 20 GBED COC1(C)CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncc(C#N)s2)C1 594637107 OGIJAOXJQTVOFZ-UHFFFAOYSA-N 394.500 0.197 30 20 GBED Cc1ccc(C(=O)Nc2n[nH]c(CC(=O)O)n2)cc1S(=O)(=O)NCC#N 738521995 WFUPAKGMGHDRTI-UHFFFAOYSA-N 378.370 -0.206 30 20 GBED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccnn2CC)c1=O 758079903 VIMPYBZRNCWILI-ZDUSSCGKSA-N 399.476 -0.586 30 20 GBED C#C[C@H](NCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 775788792 JQTGRCZIKDNREY-LTIDMASMSA-N 384.498 -0.049 30 20 GBED COCCOCc1ccc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)cc1 808132199 GWTHZQLFPBBGSP-UHFFFAOYSA-N 398.444 -0.415 30 20 GBED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CN(C)NC1=O 828488664 OHBYYNMFSRFCSO-QWHCGFSZSA-N 393.469 -0.399 30 20 GBED N#CCN(CC(=O)O)C(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 833065959 LZHJXERYBKMLIX-CQSZACIVSA-N 385.380 -0.027 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2C[C@H](C)N(CCOC)[C@H](C)C2)C1=O 843250666 OWLMTJBHKKLTAD-OWCLPIDISA-N 380.489 -0.201 30 20 GBED CC1C[C@H](C(=O)N[C@@H]2CCCN(O)C2=O)[C@@H](C(=O)N[C@@H]2CCCN(O)C2=O)C1 848134230 PUXZXSGXQLIDFB-IGQOVBAYSA-N 396.444 -0.359 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)CCO1 848507181 JDSOMVBLBMTVOM-WDEREUQCSA-N 384.380 -0.154 30 20 GBED CN(C)c1n[nH]c(NS(=O)(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n1 848941545 SUMZYLFMZHOWHN-UHFFFAOYSA-N 399.458 -0.137 30 20 GBED C#CCCCc1nnc(N2CCN(S(=O)(=O)N(C)C)CC2)n1CCOC 909191552 XPDIAILPTMKNIT-UHFFFAOYSA-N 384.506 -0.191 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@]2(C)C1 993452772 HZKUDGSFQPAORE-PXWIGAEESA-N 390.440 -0.564 30 20 GBED COCCS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 1092930399 VIHBAFDVZFFCLL-RDBSUJKOSA-N 379.442 -0.365 30 20 GBED C#CCN(C(=O)C(=O)N1CCN(CC(=O)NCCOC)CC1)C1CCCCC1 1117906017 BVMCOBICIOBVMX-UHFFFAOYSA-N 392.500 -0.312 30 20 GBED CN1CCN(c2ccccc2CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1118152184 KZYPQZZXJNOPAW-HXUWFJFHSA-N 385.468 -0.068 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2C[C@@H](OCCOC)C[C@@H](CO)C2)CC1 1120456366 ZNYBCRKHJNOXFI-CVEARBPZSA-N 384.473 -0.212 30 20 GBED C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 1261305031 LCTPSMVYMBNQOU-IBGZPJMESA-N 391.472 -0.858 30 20 GBED CS(=O)(=O)N1CC[C@@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1319445895 DCZLKBGUTQQEBB-HNNXBMFYSA-N 399.494 -0.129 30 20 GBED C=CCN(C(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)C1CC1 1325150310 XRHDSZRIBNBRLJ-UHFFFAOYSA-N 395.485 -0.262 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1 1328075024 MKIGUDKAACLELR-YPMHNXCESA-N 391.453 -0.583 30 20 GBED CC(C)C(=O)N1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1329345087 UAUZNGVHECGXGJ-MRXNPFEDSA-N 375.473 -0.098 30 20 GBED CCN(CC)C(=O)CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1330512869 MMEYZIRZYLDYMC-MRXNPFEDSA-N 399.451 -0.240 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NC2CCN([C@@H]3CCC[C@H]3O)CC2)nn1 1332042157 IWFQYFWFEVNCRO-HZPDHXFCSA-N 376.461 -0.426 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 1343827319 SQXSRFRNEYTRTP-UHFFFAOYSA-N 397.403 -0.156 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2nncn2C)cc1 1349901808 ZVDHXXZGSZTCAF-NSHDSACASA-N 398.470 -0.174 30 20 GBED Cc1nc(C#N)c(N2CCC(C(=O)NC[C@]3(O)CCS(=O)(=O)C3)CC2)o1 1556634806 SQFBFZDZAHAOGC-MRXNPFEDSA-N 382.442 -0.263 30 20 GBED C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1568234026 LQVBAHGOCAEPIN-CYBMUJFWSA-N 375.429 -0.078 30 20 GBED N#Cc1cncc(N2C[C@@H]3C(CNC(=O)c4ccc(-c5nn[nH]n5)[nH]4)[C@H]3C2)n1 1581878002 RMUGAFCIXOCDGI-VXGBXAGGSA-N 376.384 -0.031 30 20 GBED C#CCNC(=O)CNC[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CCCC1 1588354393 LSCQDVLEYULDCD-OAHLLOKOSA-N 384.444 -0.178 30 20 GBED CO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1591468880 CVCXYQDEVVJQGZ-ZIAGYGMSSA-N 395.383 -0.336 30 20 GBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNc1snc(C)c1-c1nn[nH]n1 1602724321 CNAXNUBIVFJOAW-MNOVXSKESA-N 379.446 -0.099 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCO[C@@H](CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1602724505 GGNDDFLQFVTBSE-STQMWFEESA-N 386.416 -0.854 30 20 GBED N#CCSCC(=O)N1CCC(O)(CN=c2cc[nH]cc2-c2nn[nH]n2)CC1 1606351035 KSZSCIDOXUSCLK-UHFFFAOYSA-N 388.457 -0.294 30 20 GBED N#CCCCCNC(=O)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 1609494765 MUODUDALLQOCQF-UHFFFAOYSA-N 383.416 -0.280 30 20 GBED N#Cc1cn(CCC(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)c(=O)nc1O 1625716576 MXFWJTUIQHLETN-SECBINFHSA-N 387.318 -0.262 30 20 GBED N#Cc1cn(CCC(=O)NCc2cccc(N3CCOCC3)n2)c(=O)nc1O 1625779798 UGZYBJXYKHOUTN-UHFFFAOYSA-N 384.396 -0.241 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccn(C)n1 1723955669 OTUSTOIMFDIADW-AAEUAGOBSA-N 394.461 -0.601 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)c2ccoc2C)C[C@@H]1O 1757212633 QLSWJMMKCHTWTL-WCVJEAGWSA-N 391.424 -0.403 30 20 GBED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=N)N)CCO3)C2)c1 1782056581 GCKRWDYOWGPBPE-LJQANCHMSA-N 384.440 -0.207 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCn2ccnn2)C1 1782565810 MQESPOZLDPDDGR-RDTXWAMCSA-N 389.412 -0.730 30 20 GBED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@@H]4NC(=O)NC4=O)C[C@@H]32)C1 1783459404 LTMKVFCSAJATHV-MXAVVETBSA-N 390.440 -0.470 30 20 GBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1785427059 LJAFGVNFLVRRSE-OAHLLOKOSA-N 375.347 -0.092 30 20 GBED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)C[C@@H]21 1789957499 WQLJPZRHOXOVQY-QMHWVQJVSA-N 394.472 -0.097 30 20 GBED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cncn2)C3)cc1 1792558059 RMLARWLVEPAXFJ-XEMDLRDOSA-N 394.435 -0.018 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOC 1795353562 BSDIYXNNBZBZTP-JYYAWHABSA-N 384.473 -0.188 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2 1795598658 RZQCZSSQEWWJBC-CLLJXQQHSA-N 375.433 -0.710 30 20 GBED CS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1801533601 LNTMFKZRJONKGV-AGGWBTHJSA-N 383.470 -0.295 30 20 GBED C=CCC(=O)N[C@@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825331183 HCSXPYQYVHFLIA-GFCCVEGCSA-N 382.486 -0.082 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSCC(=O)OC)CCO2 1831448780 FVGVWUPIOBIOGX-SFHVURJKSA-N 398.481 -0.238 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1834768632 HHSJBBQOVRVKSM-HNNXBMFYSA-N 380.430 -0.733 30 20 GBED C[C@@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837562875 SESSVAOMDBTFGM-JCBCYHQMSA-N 392.456 -0.250 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1840041836 KCWBIDNDILQXKX-QGZVFWFLSA-N 393.421 -0.770 30 20 GBED CCN1CCN(/C(=N\C2CCOCC2)NC[C@@H]2CCS(=O)(=O)C2)CC1=O 262417837 QJVHEZCSKONSNS-AWEZNQCLSA-N 386.518 -0.290 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 288325140 SCEBJGIURYSJTM-HNNXBMFYSA-N 388.472 -0.283 30 20 GBED N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H](CNS(N)(=O)=O)C2)nc1 290192197 FZSBPCZQVQRENX-CYBMUJFWSA-N 387.487 -0.768 30 20 GBED Cn1cc(S(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c(=O)n(C)c1=O 292509501 DUORKHZAWJZKFY-LBPRGKRZSA-N 391.409 -0.807 30 20 GBED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CCO1 297981942 HFQJHXVRNOMZGV-MRXNPFEDSA-N 385.424 -0.820 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CCSC2(CCOCC2)C1 349463368 UTBVYEUCHGMEIT-UHFFFAOYSA-N 397.544 -0.253 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H](CO)CC2)CC1 349506194 WYJIDZUTGKNHGS-CYBMUJFWSA-N 379.504 -0.224 30 20 GBED COc1ccc(CN(CCO)S(=O)(=O)N2CCO[C@H](C#N)C2)c(OC)c1 410140386 QRKFVACPSYMJES-OAHLLOKOSA-N 385.442 -0.033 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C(N)=O)n2)cc1 440956471 YJOPCLSKUAKKSR-LSDHHAIUSA-N 395.423 0.297 30 20 GBED C=CCn1c(C)nnc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 508695405 FCXVDLFJRBSGQF-UHFFFAOYSA-N 380.430 -0.025 30 20 GBED COCC(COC)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 581260602 JMESJTDCHYITGC-NSHDSACASA-N 391.471 -0.183 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)N3CCCCC3)CC2)C1=O 641879426 NMUCMCPTCYIRHW-UHFFFAOYSA-N 391.428 -0.287 30 20 GBED C#Cc1cccc(NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1 735591456 XNZVRSNKKHDSRE-UHFFFAOYSA-N 378.454 -0.700 30 20 GBED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)O)cc1 739729880 NQEBOLPJJIXMGN-LDADJPATSA-N 382.398 -0.361 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)OC)CC1 772689654 BTGRQFJAGXWCHD-HZPDHXFCSA-N 399.513 -0.195 30 20 GBED Cc1nc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)nn1C 815561999 VIRCMVRLHLIJMM-MNOVXSKESA-N 377.405 -0.063 30 20 GBED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2CC[C@](C)(C(=O)O)C2)n1 817901599 CHBKPJAWXJSFBK-SFHVURJKSA-N 376.413 -0.186 30 20 GBED COCCCS(=O)(=O)NCCSc1nc(N)c(C#N)cc1-c1nn[nH]n1 821688327 HGLWJIOPABRHEL-UHFFFAOYSA-N 398.474 -0.236 30 20 GBED COC(=O)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)O 831128814 NSBQBQGVEPENDX-CABZTGNLSA-N 383.382 -0.642 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCCC12OCCO2 848964658 VLXMHSMCHLEPAF-QWHCGFSZSA-N 395.503 -0.187 30 20 GBED Cn1cc(/C=C2/CC/C(=C\c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O 884003186 DDHDFJHJPASMKR-NTLHZVPKSA-N 384.392 -0.689 30 20 GBED C#CCN1CCC[C@H](NS(=O)(=O)CCCS(=O)(=O)NCC(F)F)C1 903650616 RKUWIFHOTBNDJO-LBPRGKRZSA-N 387.474 -0.422 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3[nH]cnc3n2)C[C@H]1C 940379633 MKEQRWOADSRDCZ-OXHZDVMGSA-N 386.412 -0.415 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](C)C1 949503111 NMXDWBCQSWDJFO-MIGQKNRLSA-N 391.472 -0.165 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]21 1022750590 LYFKKGDRTWJLFH-YJNKXOJESA-N 390.440 -0.469 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1OC 1082227373 HERHKZGTTVWVNX-LHHMISFZSA-N 381.473 -0.358 30 20 GBED N#CCNC(=O)CN1CC(OC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1105717550 QNKOSOIHZOGQGB-BCDMZGRMSA-N 388.468 -0.259 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nnnn1C 1111462341 SDMNBWUBNKSEKO-UPJWGTAASA-N 376.465 -0.305 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)N1CCN([C@H](C)C(=O)NCCCOC)CC1 1117874018 UYECOERPCNKTEO-QGZVFWFLSA-N 390.484 -0.843 30 20 GBED COCC#CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1118656570 ZEBWEFOHXDFDOF-UHFFFAOYSA-N 393.421 -0.500 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NCC2CC2)C1 1130009548 VFRPCZHCOWSAEU-NCOADZHNSA-N 388.472 -0.263 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)Cc1ccc(S(=O)(=O)CCO)cc1 1256105205 YDAFNLCCHJJDDK-UHFFFAOYSA-N 384.410 -0.450 30 20 GBED C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1326251520 ZCLGMEABUPKARY-FUHIMQAGSA-N 391.516 -0.120 30 20 GBED C[C@@]1(CO)CN(C(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)C[C@]1(C)CO 1329290565 UGRAVJBWRVMMOU-BGYRXZFFSA-N 387.436 -0.013 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 1346262439 HEZJFKJASATSPD-LSDHHAIUSA-N 387.502 -0.081 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)CCCO1 1573286548 DSGZAEWTWCOBTJ-QWHCGFSZSA-N 386.416 -0.594 30 20 GBED C#Cc1ccc(C(=O)N2CCO[C@@H](CNc3cnc(-c4nn[nH]n4)cn3)C2)nc1 1573289520 ZURHPWCXQOCFDB-ZDUSSCGKSA-N 391.395 -0.014 30 20 GBED C#CCCCC(=O)NC[C@@]1(C)CN(C(=O)CC(=O)NCc2cnn[nH]2)CCO1 1574866151 BBWQUDMLLHAYDQ-SFHVURJKSA-N 390.444 -0.652 30 20 GBED C=C[C@](C)(O)CC(=O)NCCN1CCN(c2nccnc2-c2nn[nH]n2)CC1 1588504470 KRUFDLXNUWERPD-KRWDZBQOSA-N 387.448 -0.778 30 20 GBED N#CCNC(=O)CN[C@@H]1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C12CCC2 1592678334 VALNIZMTNCYXHZ-OLZOCXBDSA-N 383.416 -0.535 30 20 GBED C=CCOCC(=O)N1CC[C@]2(C1)CN(c1cnc(-c3nn[nH]n3)cn1)CCO2 1602868678 UDALSQMAWSFNDV-QGZVFWFLSA-N 386.416 -0.333 30 20 GBED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)Nc1ccc(-c2nn[nH]n2)cc1 1602882592 OWMVJNXIJJXHCA-UHFFFAOYSA-N 390.385 -0.238 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(C(=O)O)CCOCC1 1603250579 FKCQRDQXVBJGQP-NSHDSACASA-N 381.410 -0.025 30 20 GBED N#CCOc1cccc(CNC(=O)C(=O)N2CCC([C@@H](O)C(=O)O)CC2)c1 1610623393 MTFBHUXAQGJYSE-OAHLLOKOSA-N 375.381 -0.111 30 20 GBED COCCN(C(=O)Cn1nc(C)c(C)c(C#N)c1=O)[C@@H]1CCS(=O)(=O)C1 1651727598 WQGKSVDBJCASDZ-CYBMUJFWSA-N 382.442 -0.606 30 20 GBED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN)CCO2)C1 1785574786 RRHVVNFHXZEXER-LIRRHRJNSA-N 394.472 -0.308 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOC2=O)c1 1793165191 LWYSVEFETYTIJR-YWVIFJGQSA-N 387.396 -0.458 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2 1793340110 KWFXAZQFZFINIW-HGTKMLMNSA-N 379.413 -0.934 30 20 GBED O=C(O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)ncn1 1794365714 IEWWIHQALQMWRN-FVCICTRLSA-N 384.392 -0.209 30 20 GBED CC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1800510361 JXTLHERPVAAYSW-BUYPDWFPSA-N 396.444 -0.759 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1831391150 IIHQTFPUQNQYQB-DNVCBOLYSA-N 396.440 -0.566 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1831424007 AWPZUCISDBZHCT-KSSFIOAISA-N 393.444 -0.226 30 20 GBED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)n1cncn1 1835363821 APZHGAWHGCKAOW-RHSMWYFYSA-N 376.417 -0.401 30 20 GBED CO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682598 MCRUOAJLXJBOFZ-DNVCBOLYSA-N 396.488 -0.240 30 20 GBED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)n[nH]1 1836282716 TYCHERZFBLWXQM-GOSISDBHSA-N 390.396 -0.870 30 20 GBED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1837641418 NYPMHBPXKUZPTK-WMLDXEAASA-N 376.417 -0.716 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1839808706 XXOHCJHAGPLZRL-HXUWFJFHSA-N 399.403 -0.279 30 20 GBED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1839875193 RYRQSXBUARIMDX-JXFKEZNVSA-N 391.468 -0.228 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1840161234 IREFRLLATQYONB-GRDNDAEWSA-N 397.501 -0.311 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 272799148 CAJGOFZCUHDSNC-UHFFFAOYSA-N 386.474 -0.937 30 20 GBED C[C@](C#N)(/N=C(/O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1)C1CC1 329088753 ICCQBASAOAAWDL-GOSISDBHSA-N 375.429 -0.072 30 20 GBED C[C@H]1CS(=O)(=O)CCN1/C(O)=N/[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 329497073 UXSZNHPAGNUJSJ-NWDGAFQWSA-N 379.504 -0.024 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCn2ncnc2C1 349483014 UQEWEQDNXQYTNM-NSHDSACASA-N 396.454 -0.327 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)CCO1 410133821 JSRLUVKTRPUYFS-HNNXBMFYSA-N 379.442 -0.623 30 20 GBED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3C[C@H](O)[C@@H](O)C3)ccc21 434570663 BOWJPYRECRHVMW-HOTGVXAUSA-N 386.408 -0.228 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 460597280 IWFQUWRHFHUSRB-KGLIPLIRSA-N 395.423 0.546 30 20 GBED C=CCNC(=O)NC(=O)CN1CCCN(CC(=O)NC(=O)NCC=C)CC1 509881657 ZVRVKWPFWADINA-UHFFFAOYSA-N 380.449 -0.982 30 20 GBED CCc1nncn1CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 514614936 MFAJJZINJZOKMX-UHFFFAOYSA-N 398.470 -0.379 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)NC)cc1 563429168 QUBMGVYLNICMQF-LLVKDONJSA-N 388.471 -0.366 30 20 GBED CN1C[C@H]2CN(S(=O)(=O)CCCCS(=O)(=O)NC(C)(C)C#N)C[C@H]2C1 563976362 UFTKCAJTRLTWBW-OKILXGFUSA-N 392.547 -0.189 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)Cn2cncn2)cc1 565549764 RFYYICIBGHEPQN-RYUDHWBXSA-N 398.470 -0.165 30 20 GBED CN1CC[C@@]2(CCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)C2)C1 566488201 RYDINJWYKXBAIA-OAHLLOKOSA-N 392.547 -0.045 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 597377341 RYVIOGQNGDSLNP-STQMWFEESA-N 393.473 -0.699 30 20 GBED Cc1ccc(C(=O)N2CCO[C@H](CC(N)=O)C2)cc1S(=O)(=O)NCC#N 600677506 FDRHXXQCMNUPAH-CYBMUJFWSA-N 380.426 -0.487 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 725956186 MRQRMBLSOOVDPM-UONOGXRCSA-N 393.371 -0.044 30 20 GBED CS(=O)(=O)NCCOC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 730597903 HMOCDRUITROEHH-UHFFFAOYSA-N 389.455 -0.402 30 20 GBED N#Cc1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)cccc1S(N)(=O)=O 754974948 AFOQWEWJNVXXND-UHFFFAOYSA-N 377.426 -0.867 30 20 GBED Cn1cc(S(=O)(=O)NN=CC2=Cc3ccccc3OC2)c(=O)n(C)c1=O 771889290 ALYOMUDQOKQIBX-UHFFFAOYSA-N 376.394 -0.176 30 20 GBED COCCO[C@@H]1COCC[C@H]1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 777017625 YXRJQKFWFLJBIF-ZIAGYGMSSA-N 397.453 -0.338 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 784222753 LIPIITZSOGMOFW-AWEZNQCLSA-N 398.441 -0.580 30 20 GBED C#CCC[C@H](O)CNC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 799085827 YAPPEMGAGKFHPQ-AWEZNQCLSA-N 383.470 -0.231 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2C(=O)O)CC1 825618881 GRFGDPAIKISUBE-UHFFFAOYSA-N 383.401 -0.420 30 20 GBED COCC#CCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 826147495 ZDLFQPGSERGHFJ-NSHDSACASA-N 379.398 -0.274 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 828672439 CVTCDVJPNZGNGI-CQSZACIVSA-N 375.429 -0.470 30 20 GBED C=C[C@H](O)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 829325658 IMLAKUAQYPLWFC-ZDUSSCGKSA-N 389.474 -0.373 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCc2cnnn2C)cc1 848942727 VORGFKJTAZICFM-JTQLQIEISA-N 384.443 -0.516 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)cnc2Cl)CC1 885349036 KRCOSZBVTOTTFH-UHFFFAOYSA-N 392.890 -0.183 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 968367288 BDWREWPKLSNFHH-RZFFKMDDSA-N 376.413 -0.937 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1OCC 983069839 MGARWSAUWLPIEZ-LUYZLQTOSA-N 377.445 -0.001 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCOCC1=O 1000571070 RNNMEKNPQWUSPE-OWYFMNJBSA-N 377.441 -0.316 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@H]1O 1023942352 VEWHVFCRCKTLEJ-CRNXPOROSA-N 389.456 -0.175 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCc2cnnn2C)C1 1070195895 FHJLFZZFMRIKHU-NCOADZHNSA-N 386.460 -0.071 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCc2nncn2C)C1 1070294088 KLKXHVGQBOHTGH-IVSAIRAKSA-N 386.460 -0.071 30 20 GBED CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)c(C)n1 1092898612 PMQQVZJVRAJLKM-RDBSUJKOSA-N 378.458 -0.459 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@]1(C)CCNC1=O 1109714248 DILLMTPDZXMDES-QZNHQWIBSA-N 375.473 -0.004 30 20 GBED CC(C)N(C)C(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CC1 1109904174 DLUHCJMIZQPKDW-ILXRZTDVSA-N 375.473 -0.005 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CC(=O)N(C)C1 1110616420 HAVOKIWUCPVFAE-FPCVCCKLSA-N 375.473 -0.052 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NCC(C)C)C1 1130009240 DQRGAGCDMSCHOU-NCOADZHNSA-N 390.488 -0.017 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N2C[C@@H](C)O[C@@H](C(=O)OC)C2)n1 1261519857 GYTUEBHNNFECQQ-UKRRQHHQSA-N 376.413 -0.346 30 20 GBED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCCCC#N)cn2)C[C@@H](C)O1 1325241345 UCOMJDSFQFBEHD-CHWSQXEVSA-N 376.417 -0.123 30 20 GBED C#CCOCCNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 1329099321 CWQSCTZXBDTRBP-UHFFFAOYSA-N 387.440 -0.998 30 20 GBED COC(=O)CCN1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[C@H](C)C1 1330436807 SGMSABMQEBSFSC-ZBFHGGJFSA-N 391.472 -0.719 30 20 GBED C=CCn1c([C@H](O)COC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1340793879 ZCGHQBOYEZXZDK-OAHLLOKOSA-N 394.476 -0.875 30 20 GBED CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1347345638 MRRFWAVLGAIQTL-XUVDNFPMSA-N 384.458 -0.265 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCC[C@@]34CCOC4=O)CC2)nc1 1348402067 HCHQURRMWDNXIF-IBGZPJMESA-N 383.408 -0.090 30 20 GBED Cn1cc(Br)cc(NC(=O)Cn2cc(C#N)c(O)nc2=O)c1=O 1566216297 JQBBVNOABYTBIO-UHFFFAOYSA-N 380.158 -0.080 30 20 GBED C#CCCCCC(=O)NC[C@@]1(O)CCN(C(=O)CC(=O)NCc2cnn[nH]2)C1 1574867165 QLRBVRCWWNRVGD-SFHVURJKSA-N 390.444 -0.916 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2COCCN2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1574936934 PYBXJLPAHZRVMR-ZNMIVQPWSA-N 394.476 -0.519 30 20 GBED N#Cc1nc(=NC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCO2)cc[nH]1 1581884803 BMDRYGGGIFCNQF-LLVKDONJSA-N 380.372 -0.769 30 20 GBED C#CCOCCC(=O)N1C[C@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@@]2(C)C1 1588359438 OGTLZBLQISKRKI-ACJLOTCBSA-N 382.428 -0.019 30 20 GBED CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)C2(C(=O)O)CC2)c1=O 1589901418 QGLXJTOFMGLBSV-UHFFFAOYSA-N 377.353 -0.343 30 20 GBED CN(C[C@H](O)c1cccc(-c2nn[nH]n2)c1)c1c(C#N)c(=O)n(C)c(=O)n1C 1591054563 YDUAQOWGOYAHMX-ZDUSSCGKSA-N 382.384 -0.694 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O 1602752916 ITUGHJXRPOSWAQ-ZYHUDNBSSA-N 390.404 -0.591 30 20 GBED CN(C[C@H]1CCCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1)S(C)(=O)=O 1604729750 LZSCUJMAAFMCRO-SNVBAGLBSA-N 377.434 -0.364 30 20 GBED CN1CCN(C(=O)[C@@H](Cc2ccccc2)Nc2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1640412315 WBTLWXFRWJBMKQ-MRXNPFEDSA-N 396.451 -0.258 30 20 GBED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)COCCO)CCO2 1779104964 IJWMBDHGGWJQEX-FCGSJESLSA-N 399.444 -0.646 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1783563949 FQQWOECROUOCMT-GOSISDBHSA-N 383.364 -0.739 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)C=C)[C@H]2C1 1788751523 FLRSWNBXWCRPIY-QEOTZNIISA-N 391.468 -0.305 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCSC(=N)N)C2 1793342830 UYNHRCDZEGYGMB-GUIRCDHDSA-N 382.486 -0.369 30 20 GBED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2 1800991992 WVEHFIVQSXUACE-XEMDLRDOSA-N 376.501 -0.373 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CNC(=O)C1)CC2 1825671840 QFCHPGMRVDQYNB-BDAKNGLRSA-N 376.394 -0.721 30 20 GBED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835357277 PCCPEOHNTLBPDY-KDOFPFPSSA-N 380.445 -0.387 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1837396555 JELHMWYRLQYUME-KSVNGYGVSA-N 396.484 -0.213 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4CNC(=O)C4)CCO3)C2)CCC1 1839874165 AERZCBSCPXWFMQ-LIRRHRJNSA-N 390.440 -0.727 30 20 GBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)/C=C/C(=O)NCc2ccco2)C1 1844344861 SBSCYYOVRAVPKQ-SNAWJCMRSA-N 385.376 -0.257 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](C)Cn2cncn2)C1 1844345550 XTOBMYGUGTXQAJ-IYKSTZQJSA-N 386.456 -0.024 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)Cn2nc3n(c2=O)CCCCC3)CC1 112904249 GJKCNZNVZBJWAZ-UHFFFAOYSA-N 388.472 -0.945 30 20 GBED Cn1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 255869981 AMDGASYGQSZPMN-UHFFFAOYSA-N 376.401 -0.242 30 20 GBED C=CCn1c(S(=O)(=O)Cc2cccc(S(=O)(=O)N(C)C)c2)n[nH]c1=O 278609988 ROCIUXNGUDOGMJ-UHFFFAOYSA-N 386.455 -0.018 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C1=O 281853452 YDXDLQBKPXAZQH-OCCSQVGLSA-N 397.501 -0.051 30 20 GBED N#Cc1ncn(CCNC(=O)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)n1 287984556 NMZPFIDOUIICSB-UHFFFAOYSA-N 392.383 -0.107 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 290080034 OQPOTPQCMPBOBT-LLVKDONJSA-N 384.458 -0.396 30 20 GBED C[C@@](C#N)(/N=C(/O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1)C1CC1 329088757 ICCQBASAOAAWDL-SFHVURJKSA-N 375.429 -0.072 30 20 GBED CCc1nc2n(n1)C[C@H](N/C(O)=N/CCC(=O)N1CCN(C(C)=O)CC1)CC2 329305171 OOVFUTWLDQKSIE-CQSZACIVSA-N 391.476 -0.260 30 20 GBED C/C(O)=N/Cc1ccc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)s1 330260965 TWNAVEIALYSAOA-JTQLQIEISA-N 386.455 -0.444 30 20 GBED CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCn2ncnc2C1 349502446 OBDMFZYKVCJFMN-LBPRGKRZSA-N 390.491 -0.623 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@H](N4CC=CC4)C3)CC2)c1C#N 410837015 UKJCZOKBXKRADJ-INIZCTEOSA-N 397.483 -0.279 30 20 GBED N#Cc1cc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)ccc1Cl 424435851 GUUCHDWAAJLADQ-LLVKDONJSA-N 385.785 -0.140 30 20 GBED CN(CC(C)(CO)CO)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 440660451 AGPRLAKIERITCB-UHFFFAOYSA-N 389.387 0.271 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO 443814028 GITWEBGDXDEQIQ-CHWSQXEVSA-N 386.412 -0.024 30 20 GBED CNS(=O)(=O)c1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 530268089 SHDAIHKDZNYAGP-UHFFFAOYSA-N 389.393 -0.574 30 20 GBED C=CCOc1cccnc1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 538247827 QILUBMFTEABMFV-UHFFFAOYSA-N 388.424 -0.210 30 20 GBED C[C@H](N)[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCO1 591578204 VEQSWMZPXQUUIS-SZMVWBNQSA-N 385.468 -0.202 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)C1 592304900 XMFSIJKXQXUQOE-KRWDZBQOSA-N 392.437 -0.057 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)c1 598769572 FGATUJZLOROVKO-DZGCQCFKSA-N 376.438 -0.036 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(CC)o2)c1=O 758065749 AJPUOKKUUZNFMF-UHFFFAOYSA-N 385.445 -0.036 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(S(=O)(=O)CC)CC2)c1=O 766667559 ZAHKOOQPFOZVQJ-UHFFFAOYSA-N 398.485 -0.600 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NC2CCOCC2)c1 795335157 VLXBXYSHUKSUFB-UHFFFAOYSA-N 381.410 -0.325 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCCO1 804005311 XUCHHCNZAVVLLM-MSOLQXFVSA-N 398.463 -0.252 30 20 GBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 818150003 MUFZAUIPZZEAEV-GJZGRUSLSA-N 387.488 -0.190 30 20 GBED CC[C@@](COC)(NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 837254415 CCQJRUDGYMHQOS-INIZCTEOSA-N 383.426 -0.191 30 20 GBED COc1cccc([C@]2(C)NC(=O)N(N=Cc3cn(C)c(=O)n(C)c3=O)C2=O)c1 839400043 GABYQDFYKFJPNP-SFHVURJKSA-N 385.380 -0.106 30 20 GBED CN(CCC#N)S(=O)(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 917913024 OCQNBPFLWVTVSZ-UHFFFAOYSA-N 397.482 -0.157 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 968880937 COGPFQYGBQBTEM-LOUJCGABSA-N 393.440 -0.902 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)[C@@H]1CC 985515345 XODPRZRTYMRDED-QXSJWSMHSA-N 391.472 -0.023 30 20 GBED C#CCN1CCC(C(=O)N2C[C@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@]3(C)C2)CC1 993022093 YBQUKGKEZHRSLL-GRXQJBFDSA-N 386.496 -0.240 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)NCCCOC 1110466549 SWPWHNOASSVYIW-FPCVCCKLSA-N 378.473 -0.611 30 20 GBED C#CCOCCNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 1261229213 BDOSCYYCOXTTFT-UHFFFAOYSA-N 389.380 -0.875 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)CCO1 1323303570 BYNHHOGCRHTBGT-QZTJIDSGSA-N 386.452 -0.203 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)n1 1324402864 HKUGBGDVDSJPAJ-JKSUJKDBSA-N 389.456 -0.383 30 20 GBED CC(C)(CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1)[C@@H]1COCC12OCCO2 1332268122 VQJQALMCDMEEDN-GUYCJALGSA-N 381.429 -0.605 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCC(NS(=O)(=O)CCC)CC1 1342541695 VGUYJSRNZAGOEE-UHFFFAOYSA-N 375.516 -0.211 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2nncn2C)cc1 1349901804 ZVDHXXZGSZTCAF-LLVKDONJSA-N 398.470 -0.174 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 1561766397 LUVUTDNZOLXYDR-UTUOFQBUSA-N 376.435 -0.975 30 20 GBED C=C[C@@](C)(O)CC(=O)N1CCC(O)(CN=c2cc[nH]cc2-c2nn[nH]n2)CC1 1573309940 QFFKKQUAQAVDNO-QGZVFWFLSA-N 387.444 -0.224 30 20 GBED CC(C)(C)C#CC(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 1573792524 AIJVTGLWDGRNSR-UHFFFAOYSA-N 383.460 -0.056 30 20 GBED C=CCCOCC(=O)N1C[C@@H]2CN([C@@H](C)C(=O)NCc3cnn[nH]3)C[C@@H]2C1 1575099699 BJRHAIZGFXNBCX-SOUVJXGZSA-N 376.461 -0.208 30 20 GBED C#CCNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588353444 SGIVKLGTSQSLIQ-YRGRVCCFSA-N 384.444 -0.370 30 20 GBED C=CCOCC(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588666374 DVKLLMRGOCYHSJ-UHFFFAOYSA-N 375.389 -0.909 30 20 GBED C=C[C@@H]1OCC[C@H]1CNC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1588726027 RAMFWFVDJXCPEY-JSGCOSHPSA-N 392.441 -0.148 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](n3cc(C(=O)O)nn3)C2)CC1 1588838639 HTLAXLYQONSDCU-CYBMUJFWSA-N 376.417 -0.484 30 20 GBED CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1591470573 HWFXSMIMCLFOCY-VXGBXAGGSA-N 380.372 -0.510 30 20 GBED N#CCSCC(=O)N1CCC[C@@](CO)(N=c2cc[nH]cc2-c2nn[nH]n2)C1 1592680441 NETCKQNUDAALQQ-MRXNPFEDSA-N 388.457 -0.294 30 20 GBED Cn1nc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c2c1CCC2 1777964334 LMTINLPDXRLJGL-IBGZPJMESA-N 386.408 -0.560 30 20 GBED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)N1C[C@H]2C[C@H]2C1 1778862247 AAZQVIDYCQJACF-CUYVQJCZSA-N 375.425 -0.756 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](O)N4CCOCC4)C3)C2)CCC1 1779099037 OYCNECGCBRTKQA-KXBFYZLASA-N 392.456 -0.839 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cccnn4c3)C2)C1 1782388479 VSKZBDRWECJGNV-LJQANCHMSA-N 382.376 -0.134 30 20 GBED Cc1nnc(CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)s1 1783562227 JPYPOUMLOOUKDC-INIZCTEOSA-N 378.410 -0.693 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3nnc(C)o3)C[C@@H]21 1784479941 MNXSQTJELBTLGL-OEAJRASXSA-N 390.440 -0.061 30 20 GBED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1792175824 PZCQMQILUVCKSV-KKUMJFAQSA-N 388.424 -0.046 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2 1793346759 LTPCUZWLXJHNNE-HGTKMLMNSA-N 386.470 -0.951 30 20 GBED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnc1)C2 1797739140 WUQWBNVWFYJBPU-KTZVYDJMSA-N 388.472 -0.056 30 20 GBED NC(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798498949 YBQQYSCMFGLNHB-XIJSEOJESA-N 381.433 -0.178 30 20 GBED C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1801009260 WSRSNMCZHBGAFN-ZDFLXESQSA-N 393.440 -0.114 30 20 GBED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1801164317 DEMHCDCTPOMTTJ-UMPJEAMMSA-N 390.440 -0.632 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCC)NC(C)=O 1802033661 UQQNGVJPRZLNID-MWTISTBLSA-N 393.484 -0.081 30 20 GBED C#CC(=O)N1CC[C@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1809677149 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C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H]2OCCN(C)[C@@H]2C1 333991722 KMBJCCVZORKLEL-WQVCFCJDSA-N 378.454 -0.234 30 20 GBED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCn2ncnc2C1 349505156 RJCGXWSUKJXGNA-LBPRGKRZSA-N 390.491 -0.719 30 20 GBED CN(C1CC(O)C1)S(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 349505924 UIWIHPGZFOXSRM-UHFFFAOYSA-N 391.475 -0.792 30 20 GBED CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1nc2n(c1C#N)CCS2 349571078 DYGXIOXFIQVACO-UHFFFAOYSA-N 379.489 -0.116 30 20 GBED C=CCN(CC(=O)O)C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 365424561 XGVOTPGFKKJFSI-NSHDSACASA-N 381.410 -0.214 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)NCCN1CCN(c2ncccn2)CC1 409571924 BVQKTZGPTQTGDS-OAHLLOKOSA-N 381.506 -0.085 30 20 GBED CN1CCO[C@@H]2CN(C(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)C[C@@H]21 411729139 UVRUHVNOLYFRIL-JKSUJKDBSA-N 398.398 0.363 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC(N(C)C[C@@H](C)O)CC2)n1 439999229 ZKGFIXWIHJCRPP-CYBMUJFWSA-N 376.461 0.578 30 20 GBED COC(=O)[C@H]1COCCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 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Cc1c(Br)c(C)n(NC(=O)Cn2ncn(C)c2=O)c(=O)c1C#N 791172685 HMTGKOPKPGLQJX-UHFFFAOYSA-N 381.190 -0.235 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@]3(CCO[C@@H]3C)C2)c1=O 794666038 MIOAZZDUKPSWBY-KDOFPFPSSA-N 378.429 -0.619 30 20 GBED COCCN1CN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 801589360 PFYVBVVWYRTCQP-LBPRGKRZSA-N 394.453 -0.222 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)OCc2nc(N)nc(N)n2)ccc1F 914658913 QRENNMLIOXFKLZ-UHFFFAOYSA-N 382.377 -0.004 30 20 GBED O=C1Nc2cc3c(cc2C1=NNC(=S)NCCN1CCOCC1)OCCO3 915925115 BJBXEBVSUORIRY-UHFFFAOYSA-N 391.453 -0.090 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 940380109 RIHUHGXAFKFLIM-SYQHCUMBSA-N 378.429 -0.565 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cccn3nnnc23)C1 964015253 YAOPKTZXRXDYMC-ATGSNQNLSA-N 386.412 -0.593 30 20 GBED C[C@@H]1CC[C@H](C(=O)N2CCN(c3ccnc(C#N)n3)[C@H]3CS(=O)(=O)C[C@H]32)O1 1054788255 SYBXLMFDRYKZAM-XJFOESAGSA-N 391.453 -0.270 30 20 GBED Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(C#N)n2)c(=O)n(C)c1=O 1055387559 GOOBJYBIMQKCOZ-RTXFEEFZSA-N 381.396 -0.715 30 20 GBED CN1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(C#N)n2)S1(=O)=O 1055462217 XCFUVWJRJSGVFL-YIYPIFLZSA-N 376.442 -0.392 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnnn2C2CCOCC2)C[C@@H]1O 1083790170 RYHDGQGBVIXEFJ-WCVJEAGWSA-N 392.460 -0.723 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(CC)nn1 1109900678 AXFCSKUTTBCIQX-DYEKYZERSA-N 375.433 -0.355 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N1CCc2nn(C)c(=O)cc2C1 1117294533 VQNBQWWULOQCOU-UHFFFAOYSA-N 380.404 -0.007 30 20 GBED COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cc1 1118205941 RTTBGJGQGWFPFW-KRWDZBQOSA-N 395.437 -0.078 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)OC)C1 1118407173 YSUUSRLOWYSNBU-CXAGYDPISA-N 386.470 -0.105 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCN1CC(C)(C)O 1118947720 JDJNGQDPGYBIRW-GDBMZVCRSA-N 377.489 -0.511 30 20 GBED C#CCN(C(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1)C(C)C 1120497218 CRGRGQOEIJPSPH-HNNXBMFYSA-N 387.502 -0.244 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1n1ccnn1 1128993732 OZIIBFQGWFKELV-NCOADZHNSA-N 379.461 -0.390 30 20 GBED CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1258459036 IPNKCKKUIXMFIG-ZDUSSCGKSA-N 393.469 -0.459 30 20 GBED CC[C@H](C#N)Oc1cccc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)NC)C2)c1 1258468285 AFOSNFXHSCCEEP-GDBMZVCRSA-N 388.424 -0.043 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](O)CN2CCCC2=O)c1 1319139908 ZYLFQHVQIVGTLI-AWEZNQCLSA-N 381.454 -0.136 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 1321242188 VDPWHDJBHOTKBA-HZSPNIEDSA-N 393.444 -0.225 30 20 GBED C[C@H](NC(=O)C(=O)N1CCO[C@@H](C#N)C1)c1ccc(S(=O)(=O)N(C)C)cc1 1321799287 RKIZTXSLWFBVMR-JSGCOSHPSA-N 394.453 -0.135 30 20 GBED CS(=O)(=O)N1CC(CNC(=O)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 1323528799 BWXDBPMSCDSXMC-OAHLLOKOSA-N 376.438 -0.331 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3C[C@@H]4CCCCN4C3=O)CC2)nc1 1325977766 JLEZIKHSFYRMNO-HOTGVXAUSA-N 396.451 -0.129 30 20 GBED C=CCN(C(=O)C(=O)NC[C@@H](N1CCNCC1)C(F)(F)F)[C@H](C)COC 1330527210 DWYCNZLCFPOSTD-CHWSQXEVSA-N 380.411 -0.012 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1342099736 PUANZMFKWIGHNY-PPSXBDPHSA-N 376.413 -0.274 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 1347664771 MLQNCPPVXVIASA-JKSUJKDBSA-N 391.449 -0.023 30 20 GBED C=C(C)Cn1c(C[C@@H](C)O)nnc1N1CCN(CC(=O)NCCOC)CC1 1515496582 LLCAUQBRHLXNEX-OAHLLOKOSA-N 380.493 -0.338 30 20 GBED C[C@H](C#N)C(=O)N1CCC[C@H](N(CCO)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573566920 HPMPRMZKQZPSPP-NEPJUHHUSA-N 386.416 -0.220 30 20 GBED C[C@@H](OCc1cnn[nH]1)C(=O)N1CCCCC[C@@H](NCC(=O)NCC#N)C1 1575823334 PPHNJNPJRWYUFI-ZIAGYGMSSA-N 377.449 -0.290 30 20 GBED N#CCSCC(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1581858674 QEHGCOKJBWOWJS-HNNXBMFYSA-N 390.429 -0.855 30 20 GBED C#CCNC(=O)[C@@H](C)NCC[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353509 VRSJDVXONXDZIJ-CHWSQXEVSA-N 384.444 -0.226 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)Cn3cnc(-c4nn[nH]n4)n3)C2=O)cc1 1592692985 TTXDQXHYYMMNMU-ZDUSSCGKSA-N 392.383 -0.753 30 20 GBED N#Cc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)nc3)C[C@H]2O)c[nH]1 1606359629 BXKDWLQPJRGXPK-DZGCQCFKSA-N 379.384 -0.169 30 20 GBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780158242 VVKQLCQKLAZFGZ-HXUWFJFHSA-N 386.404 -0.088 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c1 1780329784 BPRSVYLKPDQDMF-LIRRHRJNSA-N 385.424 -0.144 30 20 GBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2 1783052567 ASCJCSLUULWXLK-IBGZPJMESA-N 395.456 -0.009 30 20 GBED Cc1nn(C)c(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1F 1783557079 GTZDHHUGIZKCSL-QGZVFWFLSA-N 378.360 -0.601 30 20 GBED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCO2 1783903815 GIEQNWGFCZRKGZ-LJQANCHMSA-N 398.423 -0.335 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cncn3)C2)C1 1784470790 OYIOIQKUAOSCHT-HDMKZQKVSA-N 375.429 -0.293 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cncn3)[C@H]2C1 1787084795 GZNXIUZMHXKGDE-UGUYLWEFSA-N 377.445 -0.151 30 20 GBED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]2C1 1791262229 XRXUQJLVQWTKHU-BFYSQQLMSA-N 387.502 -0.565 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cnnn3)[C@H]2C1 1791683334 WTQVTMIMSMVCPL-OWYFMNJBSA-N 390.444 -0.748 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798008992 WPLHPSYCAGHACW-NRWUCQMLSA-N 391.384 -0.441 30 20 GBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O 1800395541 KVSBMBXCWKPCLO-NAWOPXAZSA-N 376.500 -0.529 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(=O)n2O)C3)CCC1 1801976892 OMAFJJTYAJIUTP-YWVIFJGQSA-N 386.408 -0.017 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1 1810248737 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Cn1[nH]cc2/c(=N\C(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)ccnc1-2 287438776 LSNXUQGNXGOYHF-IWIPYMOSSA-N 390.407 -0.104 30 20 GBED COCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 291614999 SUARGSGWYOCUTH-RISCZKNCSA-N 383.426 -0.081 30 20 GBED CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1CCN(S(C)(=O)=O)C1 293943769 UZOXHUYONXOGIS-HNNXBMFYSA-N 399.494 -0.035 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(/C(O)=N/[C@H](C)[C@@H](C)N2CCOCC2)CC1 330650044 WZHKCWBJJKYOTH-HUUCEWRRSA-N 383.493 -0.322 30 20 GBED C=CC/N=C(/O)NC(=O)CN1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 331143304 FUWTYVGIMBTTBP-UHFFFAOYSA-N 384.462 -0.749 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CCCOC2)ncc1C#N 349517265 ZRCSRAAHQRFWTC-UHFFFAOYSA-N 388.471 0.403 30 20 GBED COCCN1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1=O 377913403 ZNMVDPOUTTYFGA-UHFFFAOYSA-N 397.395 -0.605 30 20 GBED Cc1cc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)nn1CCC#N 441977402 MUIZXWZUPNXDHY-QGZVFWFLSA-N 379.417 0.253 30 20 GBED CN1CCN(CCCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 553435135 IRTJTXFHEIQWIY-UHFFFAOYSA-N 379.486 -0.410 30 20 GBED CSC[C@@](C)(O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 572257265 KKFLAYADCJWKPC-ZDUSSCGKSA-N 393.512 -0.119 30 20 GBED C=CCN(CCOC)C(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 580222550 CJTKTCFQPMPQGX-UHFFFAOYSA-N 376.413 -0.157 30 20 GBED CN(C)C(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)C#N)cc1 581262095 YBBXKEYZXZPVHW-UHFFFAOYSA-N 388.471 -0.366 30 20 GBED N#C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 609282994 LEOZEVXLWLGMTB-GFCCVEGCSA-N 383.386 -0.193 30 20 GBED CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 618716336 OSOAIQCOAIBNBQ-OAHLLOKOSA-N 384.483 -0.043 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 725820656 LSPRPTGFSXGTJC-UHFFFAOYSA-N 387.487 -0.154 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(S(N)(=O)=O)CC2)c1 728150858 MFRDQWOSFHYQHK-UHFFFAOYSA-N 385.467 -0.509 30 20 GBED C=CCN(CC(=O)OCC)S(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 728586479 SZYFXCBCZNEFLT-UHFFFAOYSA-N 382.398 -0.226 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC3(CC2)C[C@@H]3C(=O)O)c1=O 736117844 NOIRBHVJADNTES-CYBMUJFWSA-N 376.413 -0.312 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2C(=O)NCCOC)C1=O 751072802 PGAQTODZXWCKPU-UHFFFAOYSA-N 388.380 -0.022 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC(N)=O)C2CCOCC2)cc1 752455330 GNPVQYGWJNMHLT-MRXNPFEDSA-N 393.465 -0.002 30 20 GBED C#CCNC(=S)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 758235548 SCDBYCNUQLWAFS-UHFFFAOYSA-N 394.478 -0.169 30 20 GBED COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 760205590 WQQIYFHDBWBKMV-LBPRGKRZSA-N 391.409 -0.651 30 20 GBED CNS(=O)(=O)c1ccc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)cn1 784769985 VGGJFWJAVVXLNG-UHFFFAOYSA-N 388.365 -0.033 30 20 GBED COC(=O)[C@H](CS(=O)(=O)CC(=O)NCc1ccc(C#N)cc1)NC(C)=O 790624117 NOEFNVRMQOUABO-AWEZNQCLSA-N 381.410 -0.733 30 20 GBED Cc1cc(C(=O)NS(=O)(=O)CC2(C#N)CC2)nc2c1c(=O)n(C)c(=O)n2C 793197296 QIFBTOLQQRLZKZ-UHFFFAOYSA-N 391.409 -0.696 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1)[C@@H]1CCCO1 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C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@@H]1O 970702256 ODSKOGOCUXDILX-WYUUTHIRSA-N 379.438 -0.260 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ncn(C)c1=O 996981684 CLSKLXHSGITTJS-OWYFMNJBSA-N 389.456 -0.189 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3n(n2)CCCO3)C1 1024894139 JCBFZEOLZBKHDY-MIGQKNRLSA-N 390.440 -0.052 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCc2cn(C)nn2)C1 1070196063 ITXVYADLLRPKNK-NCOADZHNSA-N 386.460 -0.071 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(CCN3C(=O)CCC3=O)C[C@@H]21 1083198279 LNRZMMNXWPRYRB-FXUDXRNXSA-N 377.441 -0.362 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(CC(=O)NC)no2)C[C@@H]1O 1083470627 CPDFRYYJMBECNZ-MQYQWHSLSA-N 393.444 -0.999 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc(S(N)(=O)=O)o1 1109485079 JOUIIDMKEDHEEI-WOPDTQHZSA-N 382.442 -0.436 30 20 GBED CCS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cc1 1118152447 XYLHBCYNBQFCAZ-QGZVFWFLSA-N 379.438 -0.027 30 20 GBED CCN(CCC#N)C(=O)COC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1251197530 YIKRIBFPQJPWEH-QWHCGFSZSA-N 385.442 -0.673 30 20 GBED N#Cc1ccc(NC(=O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1 1251641633 VBBNQPPCBLWBPG-UHFFFAOYSA-N 376.394 -0.004 30 20 GBED COc1cc([C@H](C#N)NC(=O)CNC(=O)CNC(C)=O)cc(OC)c1OC 1318211020 GIQYHIBHERRFBK-LBPRGKRZSA-N 378.385 -0.354 30 20 GBED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NC1(C#N)CCN(C)CC1 1319399849 MSJNKGUAASZZNA-UHFFFAOYSA-N 394.443 -0.031 30 20 GBED CCn1cc([C@@H]2C[S@](=O)CCN2S(=O)(=O)N2CCO[C@H](C#N)C2)cn1 1321196301 PTJWKZOVNQQBHO-QWJLCTJOSA-N 387.487 -0.522 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@H]1COC(C)(C)O1 1323240480 YVPCSUBERYAPIM-STQMWFEESA-N 388.428 -0.347 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nn2c(C)nc3sccc3c2=O)C1=O 1324986522 DDAJOOXNMYBBCF-UHFFFAOYSA-N 375.366 -0.187 30 20 GBED CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)CC1 1327378702 QUYSATKZXFNNHV-CVEARBPZSA-N 375.473 -0.096 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 1328236469 QBPGVECRJUSWKL-ZDUSSCGKSA-N 385.428 -0.312 30 20 GBED C#CCOCCNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 1329717563 ZJHSDCWMTROMHV-UHFFFAOYSA-N 393.874 -0.438 30 20 GBED O=C(CON=C1C(=O)Nc2cc3c(cc21)OCCO3)N[C@@H]1CCS(=O)(=O)C1 1337122265 MTQDOJADSOPIEC-SECBINFHSA-N 395.393 -0.566 30 20 GBED COCCO[C@H]1CCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)C1 1348381556 DIRLSIGTRNCTTC-INIZCTEOSA-N 387.440 -0.134 30 20 GBED CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)s1 1349075026 PWAKPWNUAMBFDA-LBPRGKRZSA-N 396.494 -0.033 30 20 GBED COC(=O)c1cn(C)nc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1463346881 MLZWCBUWFFVKAH-UHFFFAOYSA-N 377.382 -0.116 30 20 GBED N#Cc1cn(CC(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(=O)nc1O 1464707973 YHNIDIFMRQTQHS-UHFFFAOYSA-N 387.318 -0.120 30 20 GBED C#Cc1cncc(C(=O)NC[C@@H]2CCN([C@H](C)C(=O)NCc3cnn[nH]3)C2)c1 1575032431 CUIQYIHNNYVSOR-HIFRSBDPSA-N 381.440 -0.062 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)CCCc2cnn[nH]2)C1 1575040144 XTXRUQWIFARCSS-OAHLLOKOSA-N 392.460 -0.712 30 20 GBED CC#CCCCC(=O)NCCN1CCN(CC(=O)NCc2cnn[nH]2)CC1 1575117300 KTJMIUZGYKHYDF-UHFFFAOYSA-N 375.477 -0.652 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[nH]n2)nn1 1588499458 IRILISPLGYBYSC-BDJLRTHQSA-N 376.421 -0.761 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](CS(N)(=O)=O)C3)CC2)o1 1655770731 NUZMWNALMAWUNA-CYBMUJFWSA-N 396.473 -0.886 30 20 GBED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2 1779417928 NSDSIHCQORHMIW-NVJPDHSISA-N 399.444 -0.660 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c1 1780249017 GBQCDIAGCIIBIO-GOSISDBHSA-N 382.380 -0.273 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(C)=O)C2)C1 1783189566 TYUUTNUBPWRSPI-IBGZPJMESA-N 395.456 -0.148 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3cccnc3)[C@H]2C1 1785147469 CHQIRVHCAIQBHV-BPUTZDHNSA-N 387.392 -0.472 30 20 GBED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)nn3)[C@H]2C1 1790589706 ZFBQLTNCYMOUEA-IHRRRGAJSA-N 389.412 -0.156 30 20 GBED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)CN)c(Cl)c1 1796342607 PAMTWZMEMCJFNH-VZAMPYOESA-N 391.859 -0.299 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2 1797708366 UBXLZHCGFVLVCK-KYHPRHEASA-N 395.500 -0.519 30 20 GBED C[C@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797740403 HGTTZDLWRGCTGA-XSMHIHIESA-N 393.488 -0.441 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)[nH]1 1798182645 BRDSOGWNTHWFBC-JJLQDPRZSA-N 392.412 -0.172 30 20 GBED Cn1cnc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n1 1805329284 NOYJRDSCRMXWSX-XJKSGUPXSA-N 382.380 -0.382 30 20 GBED C#CC(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807948952 KNKKMBPGWZXERX-WBMJQRKESA-N 392.379 -0.840 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCNC4=N)C3)C2)C1 1829667042 RJSXOFWGESYLAU-LJQANCHMSA-N 391.472 -0.751 30 20 GBED CNC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831481651 AXCONNGNAGGCRY-WBVHZDCISA-N 387.502 -0.467 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836807820 AKRZSKIUXQJUKR-GOSISDBHSA-N 384.396 -0.058 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1837319930 NNUJWMVHJQDYJD-CQSZACIVSA-N 378.303 -0.819 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccncc1)CCO2 1839061110 DBEYDHIHEWKJPA-LJQANCHMSA-N 387.392 -0.832 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840161007 BPLNFYINZYUWQX-BONVTDFDSA-N 399.429 -0.294 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840551185 OXRGPGSLRISECV-SWLSCSKDSA-N 394.515 -0.804 30 20 GBED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)[C@@H](N)CCC(N)=O)C3)c1 1844725917 YLIGSIGDFNJPQD-INIZCTEOSA-N 399.451 -0.023 30 20 GBED CN(C)C(=O)CN/C(=N/C[C@@H]1CCOC1)N1CCO[C@H](c2cnn(C)c2)C1 262285576 KBNZRNQBNHIGFA-HOCLYGCPSA-N 378.477 -0.136 30 20 GBED C#CCO[C@H](C)C(=O)N1CCN(C(=O)[C@@H](C)OCC#C)[C@@H](C(=O)N(C)C)C1 294978477 OJIHDSVSWYYCHY-BZUAXINKSA-N 377.441 -0.809 30 20 GBED COCC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 298671605 JEVXGVAOLLOCBJ-UHFFFAOYSA-N 394.453 -0.191 30 20 GBED N/C(=N\CCS(=O)(=O)NC[C@H]1CCCCO1)NCCCN1CCOCC1 304740504 BQVSBLMECWZCCW-OAHLLOKOSA-N 391.538 -0.899 30 20 GBED CC(C)N1CC[C@H](/N=C(/O)N2CCN(C(=O)CN3CCOCC3)CC2)C1=O 329326857 WYHZJEFWOOYIFC-HNNXBMFYSA-N 381.477 -0.614 30 20 GBED C[C@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 349477769 QUNNBLSVQYORNA-SNVBAGLBSA-N 379.464 -0.934 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N)CCCO1 349526379 SSPGQLFDVYQMFF-ZDUSSCGKSA-N 378.476 -0.504 30 20 GBED N#Cc1ccc(OC2CN(C(=O)C(=O)N3CC[C@@H](N4CCNCC4)C3)C2)cc1 423565959 PRVFWBOZLKZIAV-MRXNPFEDSA-N 383.452 -0.346 30 20 GBED N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cn(CC(N)=O)nn2)cc1 463630568 SQRAXXRTIAMFEO-CYBMUJFWSA-N 385.409 -0.211 30 20 GBED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2CC)CC1 480005204 ABTUARMQDADTQV-UHFFFAOYSA-N 397.504 -0.008 30 20 GBED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC#Cc2ccccc2)cn1 491499380 GRFKJMURWLTRNQ-UHFFFAOYSA-N 396.451 -0.333 30 20 GBED CNC(=O)C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 565666823 HBMQYJBOWSDIJD-NSHDSACASA-N 388.471 -0.366 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H]3[C@@H](O)CC[C@H]3C2)cc1 568531363 BURXJABJLGMHRO-GLQYFDAESA-N 385.467 -0.120 30 20 GBED C[C@@H](CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)S(C)(=O)=O 570709693 HWRDFFQWAURAQR-LBPRGKRZSA-N 379.442 -0.849 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)CC1 577167426 KZXJFBNVPTYNFG-KSSFIOAISA-N 388.472 -0.614 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)OC)C2)cc1 592329139 NQLQIYMPEYDUSN-ZFWWWQNUSA-N 389.408 -0.077 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCNC2=O)cc1 595949479 DVTNHZXDDMIGAM-GWCFXTLKSA-N 386.455 -0.566 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)C[C@]1(C)CO 595963452 SHVVYULLPCRJIZ-CHWSQXEVSA-N 379.504 -0.368 30 20 GBED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[C@](F)(C#N)C1)CC2 615627834 GXAMZAGTJLDZRM-INIZCTEOSA-N 380.401 -0.052 30 20 GBED C=C[C@H]1CN2C(=O)CN(CCN3CC(=O)N(C[C@@H](C)CC1=C)C(=O)C3)CC2=O 642880618 APDAGMJDMRHRBD-HOCLYGCPSA-N 388.468 -0.274 30 20 GBED CC(C)(C(=O)NCC#CCNC(=O)C(C)(C)N1CCOCC1)N1CCOCC1 669909402 NVYAKCMSVFCCNB-UHFFFAOYSA-N 394.516 -0.556 30 20 GBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N2CCC[C@H](C(=O)OCC)C2)CC1 728571027 UKDMUVNBOYARDI-IRXDYDNUSA-N 392.500 -0.456 30 20 GBED N#Cc1cccc(NC(=O)COC(=O)CCn2cc(S(N)(=O)=O)cn2)c1 749327909 PRNWQIRYEPQRQC-UHFFFAOYSA-N 377.382 -0.026 30 20 GBED Cn1c(N)c(C=NNc2nc(O)c3cnn(C(C)(C)C)c3n2)c(=O)n(C)c1=O 769810966 WNASQHFRGKWVRM-UHFFFAOYSA-N 387.404 -0.288 30 20 GBED C#CCC[C@H](O)CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 798390109 XRILOYIBHQEXNW-ZDUSSCGKSA-N 384.414 -0.053 30 20 GBED Cn1cc(-n2cc(C(=O)NS(=O)(=O)c3cncc(C#N)c3)ccc2=O)cn1 813982357 ITVXGBGEZVRWPZ-UHFFFAOYSA-N 384.377 -0.044 30 20 GBED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cnn(CC(F)F)c2)c1=O 814249884 ZRKHUGTZEJCQHA-UHFFFAOYSA-N 379.392 -0.194 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)C1=O 819546727 BHMQOVCRXBTHJK-NSHDSACASA-N 398.416 -0.693 30 20 GBED CCC(=O)N[C@H](C)C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 915388432 KAPOPRHEIMOCTA-LLVKDONJSA-N 377.401 -0.039 30 20 GBED Cc1csc([C@@H](C#N)C(=O)COC(=O)CNS(=O)(=O)c2cnn(C)c2)n1 919131172 ZTCZQMMWLBVYAL-NSHDSACASA-N 397.438 -0.117 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](OC)C1 942230901 PXQZJBHNLUCFLO-XNISGKROSA-N 392.456 -0.339 30 20 GBED C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)c2ccc(C#N)[nH]2)O1 960266656 JNOSHHBXCJTAAC-VJUNAUMWSA-N 387.440 -0.343 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2nonc2C)C[C@@H]1O 964192796 FESIDKQLVSAIFG-GUSZCTEKSA-N 378.429 -0.020 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 965889455 WDIXEPWDJUNLCB-CRWXNKLISA-N 392.460 -0.289 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@@H]1n1ccnn1 990962363 DPADMNUEKFXRPL-MQYQWHSLSA-N 386.416 -0.902 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2ccc(O)nc2)C[C@H]1O 1025712179 HIIUXEHWIRMLQI-FPCVCCKLSA-N 375.425 -0.001 30 20 GBED C#CCO[C@H](C)C(=O)NC1(CO)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1080861339 PODXLLWEOUMZIB-JHMPBIJASA-N 376.453 -0.082 30 20 GBED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CCn2cc[nH]c(=O)c2=O)cn1 1092990577 UWJQHQJIUUVOSM-MCIONIFRSA-N 381.396 -0.486 30 20 GBED C=CCNC(=O)NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1C 1106270541 PLZUZOBRYSPDLB-CTASWTNQSA-N 382.461 -0.514 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCC(N)=O 1111505031 APISCZXHGWXMNJ-DGAVXFQQSA-N 379.461 -0.236 30 20 GBED COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(C)cc(F)cc1C#N 1195661305 NEKILBMTPDPGDL-LBPRGKRZSA-N 390.414 -0.034 30 20 GBED CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 1261541422 JGGCSJCWNXCYBG-ZDUSSCGKSA-N 392.437 -0.702 30 20 GBED C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C[C@@H]1NC(=O)C(F)(F)F 1261628389 XWYDTFBIXCLJAC-MXWKQRLJSA-N 376.335 -0.347 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CCO1 1321785511 AIOXADGASBQHLH-LBPRGKRZSA-N 385.829 -0.019 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)C1 1327039759 DOLHJFFDJJTQQF-XHDPSFHLSA-N 390.362 -0.219 30 20 GBED CS(=O)(=O)[C@@H]1CCCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1329453180 LNNQAJKBLCXMGK-HUUCEWRRSA-N 382.486 -0.389 30 20 GBED N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)[nH]1 1335394007 BPNNUKHSBJJVRQ-GFCCVEGCSA-N 386.455 -0.839 30 20 GBED Cc1sc(=O)n(CCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1C 1342565528 GRVNFOZFFARUAJ-GFCCVEGCSA-N 385.467 -0.117 30 20 GBED CCOCCCNC(=O)C1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 1344594662 MRXJXKVOTRBBKB-OAHLLOKOSA-N 388.490 -0.290 30 20 GBED C#CCNC(=O)C1CCN(C(=O)NCCCN2C(=O)NC(C)(C)C2=O)CC1 1346883672 AZNZMLWCPIWVAD-UHFFFAOYSA-N 377.445 -0.122 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2CC2(SC)CCC2)CC1 1355655078 UFHAATJZQQHWBY-UHFFFAOYSA-N 385.519 -0.452 30 20 GBED COCCN1CCN(c2nnc(C[C@H](O)CC#N)n2C[C@@H]2CCOC2)CC1 1526219563 OXJUSQFROQPEHN-JKSUJKDBSA-N 378.477 -0.100 30 20 GBED CS(=O)(=O)NCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1555820160 YXGRSUKLLLCZCC-ZDUSSCGKSA-N 377.430 -0.382 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)CCN=c1cc[nH]c(-c2nn[nH]n2)n1 1573299987 MRWMPXSLKJHWFM-DGCLKSJQSA-N 387.448 -0.144 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@](C)(CNC(=O)CC(=O)NCc2cnn[nH]2)C1 1575013565 RPMIXVBETYHXEL-SCLBCKFNSA-N 390.444 -0.796 30 20 GBED N#CCN(Cc1cnn[nH]1)C(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1577706819 VQNGUHNPSAZCMG-AWEZNQCLSA-N 387.375 -0.601 30 20 GBED C#CCNC(=O)CN1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C(C)(C)C1 1588354420 MQKLPEYXNBJKBJ-AWEZNQCLSA-N 384.444 -0.226 30 20 GBED C=CCCn1cc(C(=O)N[C@@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 1588620886 LOJXJMYMHYYHFW-JTQLQIEISA-N 384.404 -0.089 30 20 GBED C=CCCn1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C2)nn1 1588621334 ZZVVNMKBNRXRQC-NSHDSACASA-N 381.404 -0.167 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC(=O)O)cc1 1602715785 SAQGNHXJEPYCCD-UHFFFAOYSA-N 385.423 -0.461 30 20 GBED C=CCCOCC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 1602844069 HPAZARMVAXGJKN-CYBMUJFWSA-N 388.432 -0.039 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 1609496682 BLLJRWMEVJQMDJ-UHFFFAOYSA-N 382.363 -0.182 30 20 GBED CCCN(CCC)S(=O)(=O)N1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1642666558 MAENUSJDESLICI-UHFFFAOYSA-N 398.489 -0.566 30 20 GBED C[C@@H]1OCC[C@]1(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1708277736 IHLCXFMIPZJOJH-ZBYUQBLASA-N 376.417 -0.502 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777954955 LGBDYCBOQCLKKJ-GOSISDBHSA-N 383.364 -0.739 30 20 GBED C[C@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1781248576 YYXXSHGZDIGIFD-ZCVAIWLRSA-N 396.444 -0.520 30 20 GBED CC(=O)N/C(C)=C/C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015432 PEFTYIAHQVYKJD-LPDPEWCVSA-N 391.424 -0.372 30 20 GBED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCS3(=O)=O)[C@H]2C1 1790747839 MVQLDUYNWRKORN-AJNGGQMLSA-N 383.470 -0.153 30 20 GBED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]2C1 1791772126 SOMRTOGPYWGFDD-VOAKCMCISA-N 378.516 -0.281 30 20 GBED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1792636301 PYYNQOYGOLBWTR-CRWXNKLISA-N 383.470 -0.297 30 20 GBED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOC1=O 1793162537 OSFGSXPWAIVFBP-NEBZKDRISA-N 385.486 -0.017 30 20 GBED COC(OC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1793169106 NXBJPUJLCNLCFH-OEPJXZRUSA-N 379.413 -0.093 30 20 GBED Cc1nc2ncccn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1797006474 WRDJVNYBZZFCFJ-YWVIFJGQSA-N 397.391 -0.671 30 20 GBED Cc1ccn2ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)c2c1 1800775679 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375.429 -0.048 30 20 GBED CC1=C(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CCO1 1836274661 NDDCOKVCPVAAFQ-SFHVURJKSA-N 378.381 -0.775 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839235460 WGVVPRPDUVOSQL-NVXWUHKLSA-N 397.501 -0.311 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(F)(F)F)C2)C1 1840041528 RVDBSEDCNYSASU-OAHLLOKOSA-N 392.330 -0.127 30 20 GBED CO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840211339 ZFPIFUPPHGSCSX-FZKQIMNGSA-N 376.413 -0.009 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840835778 HBABXCVTNGMWNF-LJSPUIBFSA-N 394.424 -0.488 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1840844862 PKSBLUFNMLJPAQ-MOPGFXCFSA-N 396.440 -0.528 30 20 GBED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)NC(N)=O 18760312 MZLGZNNJUOUBKF-GOSISDBHSA-N 386.364 -0.110 30 20 GBED C[C@H](CN1CCN(C)CC1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 268812640 BHCOLUYIESKLNQ-HUUCEWRRSA-N 393.513 -0.023 30 20 GBED N/C(CCO)=N\OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 274340117 IAKGHLLXAMCVJU-UHFFFAOYSA-N 386.430 -0.683 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N(C)[C@H](C)CN1CCOCC1)c1cc[nH]n1 279064311 DMQLCLFYDYDQCU-MMOSJZJFSA-N 381.433 -0.127 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O 297687163 DCWMVFCCKWYBLM-AWEZNQCLSA-N 388.424 -0.191 30 20 GBED C[C@H](O)CN(C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H](C)CO 297748700 LJQZMIQBCHMMMA-HOTGVXAUSA-N 388.468 -0.207 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H]([C@H]2CCOC2)C1 349500310 PXBTXWXWKPQOIQ-KGLIPLIRSA-N 379.504 -0.150 30 20 GBED Cc1ncc2c(n1)CCN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)C2 349513124 AHMWUNWNONYECQ-NSHDSACASA-N 387.487 -0.306 30 20 GBED CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 370732560 NHIUERGLELBZAH-UARSRXHTSA-N 375.473 -0.052 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)CCO1 410134318 HYWDGUYYMMSLAP-MRXNPFEDSA-N 399.517 -0.478 30 20 GBED COC(=O)[C@@H]1CN(C)CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 411919159 PMURXKJYPTULBO-SJORKVTESA-N 379.505 -0.285 30 20 GBED CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 502014906 KSOJJCQDNQEHRV-JKSUJKDBSA-N 387.440 -0.088 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)CCO1 548758724 GLHWNBSCKHTJSS-QGZVFWFLSA-N 379.486 -0.133 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 553356229 SUSBXBBODQPBLU-JOCBIADPSA-N 395.419 -0.236 30 20 GBED N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1 578648832 NNRXPIBVNRKRLK-CYBMUJFWSA-N 377.426 -0.082 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 579494322 KQSQBTSUSPCWNQ-XJFOESAGSA-N 389.499 -0.187 30 20 GBED COCCCN(CCO)C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 579564588 HBMZQNVMISWIBV-UHFFFAOYSA-N 375.429 -0.541 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)N2C(=O)c3ccc(C)cc3C2=O)CC1 728533834 STSYWUDKUNELSH-OAHLLOKOSA-N 396.447 -0.127 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)/C=C\C(=O)Nc2ccc3n[nH]cc3c2)CC1 778699086 DFUNTMHSIQNAAD-WAYWQWQTSA-N 394.435 -0.049 30 20 GBED C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCO2)CC1 802689412 OFOAXXJPCSPMCA-GJZGRUSLSA-N 396.517 -0.178 30 20 GBED COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN(CC#N)CC(=O)O)C2=O)c1 832539378 CZCFFFCTVKJNGT-QGZVFWFLSA-N 389.368 -0.596 30 20 GBED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)N3CC[C@@H]4COC(=O)N[C@H]4C3)C2)nc1 843253953 LEHBINBQGFEYJB-ILXRZTDVSA-N 399.407 -0.110 30 20 GBED N#CCCN(CCC#N)C(=O)COC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 845927490 WIHQPFVGRHCIHA-MGBSGCIJSA-N 384.392 -0.007 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCC2(C1)OCCO2 848959750 PHGLRMODFRPJKX-GFCCVEGCSA-N 381.476 -0.671 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2F)CC1 872515930 YDGWSQRGXGZIQS-UHFFFAOYSA-N 375.447 -0.092 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccn(C)c(=O)c2)C1 968664007 BOZJPMLMHAVMEE-IVSAIRAKSA-N 375.425 -0.332 30 20 GBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1 969317597 HBNFWSXBLRMXHI-PLPKTUSISA-N 375.429 -0.419 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(S(C)(=O)=O)CCC2)C[C@@H]1O 970707393 XHUYMYTZZUAHPB-MQYQWHSLSA-N 386.470 -0.767 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3cnnc3O)C[C@H]2C1 986696537 IQANKORLERXZSQ-BARDWOONSA-N 375.429 -0.118 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CC(=O)NC1=O 1003081206 CKORNBOUUXOMHC-RBUCKAEESA-N 390.440 -0.233 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(=O)NC)nc2)C[C@H]1O 1025710316 IVUWVLJQBKHVQK-MIGQKNRLSA-N 388.424 -0.666 30 20 GBED Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nn2)c(=O)n(C)c1=O 1055387798 QCXFZIRPFBZPDD-BNOWGMLFSA-N 381.396 -0.715 30 20 GBED C#CCNC(=O)CN1CC(OC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1105717213 JAVAPXHIDYBWGA-GJNTUIEKSA-N 387.480 -0.149 30 20 GBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnc(O)n(C)c1=O 1109588561 KFMSMZYLFLRLBY-XCCSTKFXSA-N 375.429 -0.488 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC1OCCCO1 1110482222 VSUVQAAIUHIAQK-MCIONIFRSA-N 380.445 -0.127 30 20 GBED C#CCOCCNC(=O)C(=O)N[C@@H](C)CCNS(=O)(=O)c1ccccc1 1117728617 AJHVIQQKPGWQNV-AWEZNQCLSA-N 381.454 -0.374 30 20 GBED C#CCOCCNC(=O)C(=O)N[C@H](C)CCNS(=O)(=O)c1ccccc1 1117728618 AJHVIQQKPGWQNV-CQSZACIVSA-N 381.454 -0.374 30 20 GBED N#Cc1cc(F)ccc1N1CCN(C(=O)C(=O)NC[C@H]2COCCO2)CC1 1119106011 QVWHZLKNKRPXPK-HNNXBMFYSA-N 376.388 -0.122 30 20 GBED C#CCN1CCC[C@H](NC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)C1 1119364937 TUUOXJVQRNJGRN-HOTGVXAUSA-N 386.518 -0.128 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCO[C@H]1C=C 1218650908 OPXMSZWKAMSKIM-FXUDXRNXSA-N 392.456 -0.499 30 20 GBED CS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 1261117517 YJRITXPOIKQVPW-OAHLLOKOSA-N 376.438 -0.234 30 20 GBED CC(=O)N1CCC[C@H](C(=O)NCC#CCNC(=O)[C@@H]2CCCN(C(C)=O)C2)C1 1320379714 ZGGBGCWIEKUWFM-HDICACEKSA-N 390.484 -0.261 30 20 GBED N#C[C@H](C(=O)Nc1ccccn1)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1524677621 KSQFESQWSWPOJD-AGIUHOORSA-N 390.421 -0.235 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)c2[nH]c(C)c(C(=O)O)c2C)CC1 1573311594 UPCJEJFOCQEGJE-CYBMUJFWSA-N 396.469 -0.014 30 20 GBED C[C@H](C#N)C(=O)N1CC2(CC[C@@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)O2)C1 1573561897 OIZDOQIENIQHGJ-PWSUYJOCSA-N 384.400 -0.156 30 20 GBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CCNC(=O)CCCc2cnn[nH]2)C1 1575005180 WQNVQANNOHDQTK-HUUCEWRRSA-N 388.472 -0.132 30 20 GBED C=CCOCC(=O)N1CCC(N(Cc2cnn[nH]2)C(=O)[C@H]2CCNC2=O)CC1 1575109002 ULRZCMGCDLZDJN-HNNXBMFYSA-N 390.444 -0.537 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)N(C)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 1588350062 ZZTYVEIMQMCCGN-INIZCTEOSA-N 380.408 -0.156 30 20 GBED C#CCNC(=O)CN[C@H](C)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1588354539 PGMYOAGZNDQOIJ-GFCCVEGCSA-N 384.444 -0.226 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588443587 VBUDUCISDPASLJ-OBJOEFQTSA-N 389.416 -0.617 30 20 GBED C=CCNC(=O)[C@@H](C)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588657800 XFJPMNKHTBLVOI-PIGZYNQJSA-N 388.432 -0.948 30 20 GBED C[C@@H](C#N)C(=O)N1CCN(CCCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1588928650 VUBCLWVXAIBXAO-LBPRGKRZSA-N 385.432 -0.381 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCNC(=O)[C@H]2CC(=O)O)cc1 1601102127 BTGFIQOHMXWSHX-CYBMUJFWSA-N 379.394 -0.725 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(C(=O)O)C[C@H]2c2ccccc2)CC1 1602726393 OYVYNJIFEHPCOT-MAUKXSAKSA-N 391.449 -0.143 30 20 GBED Cc1ncc(S(=O)(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1C(=O)O 1607987469 QUGARGWYLBSAIU-IINYFYTJSA-N 385.423 -0.353 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(C)COC1 1611711682 RUQDGXDFHXZMBC-NWDGAFQWSA-N 384.462 -0.346 30 20 GBED CN(C)C(=O)COc1cccc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)c1 1626065020 IVSPAPGXFQCKSC-UHFFFAOYSA-N 399.407 -0.006 30 20 GBED CCOC1CC(O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)C1 1710605223 VEZLCMYYBUWGMP-OOWFEOPPSA-N 390.444 -0.112 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(NC(C)=O)CCCC2)C[C@@H]1O 1757212545 MIERGJQDIUBWAP-WCVJEAGWSA-N 379.457 -0.286 30 20 GBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780203300 BMHBEBPEYCBCRE-IBGZPJMESA-N 397.391 -0.245 30 20 GBED C[C@@H]1CCc2c(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)n[nH]c21 1783561625 CLMLDDJPBYDPIL-BLVKFPJESA-N 386.408 -0.009 30 20 GBED CC(C)(C)n1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)nn1 1783566417 AUQVXHBARJOGTM-SFHVURJKSA-N 389.412 -0.435 30 20 GBED CN1CC(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)C1 1784780866 VXYKAWQGRDQBJY-LJQANCHMSA-N 377.489 -0.340 30 20 GBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(=O)c1cc(C)on1)CCO2 1785423874 GHACMOYJMMTHNA-LJQANCHMSA-N 388.424 -0.044 30 20 GBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1785423967 KYSNUCOHRBRPCW-HXUWFJFHSA-N 395.419 -0.054 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cn[nH]c4cn3)[C@H]2C1 1788469735 ZXCIIAGWHWTYDH-RBOXIYTFSA-N 397.391 -0.361 30 20 GBED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1791268077 LHXGIHIMUWFYRL-LSTDLKDCSA-N 393.484 -0.580 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1 1793420547 ZIWMGGPBCWGEGL-NDKCEZKHSA-N 381.429 -0.743 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c[nH]nc12 1796181399 MGMSTLMAJGUOBY-FVCICTRLSA-N 382.376 -0.146 30 20 GBED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2)[C@@H]1SC(=N)NC1=O 1796423818 WLPJUAATWLVOLJ-DQYMBCKPSA-N 379.442 -0.708 30 20 GBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCNC2=O 1797325114 JMQSLIHRJOUPGX-ZSBFGKGUSA-N 399.451 -0.367 30 20 GBED CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1797691212 SLOXEAVSHODADO-YIYPIFLZSA-N 379.461 -0.167 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnn3n1)C2 1800778017 ROFIWNDALYGQGP-DPIQGUFMSA-N 383.364 -0.980 30 20 GBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1800986198 ZVXOINFRZLDPPI-HNCHTBHHSA-N 391.453 -0.044 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1 1802923767 RZKUWLSKPMZPQA-HOCLYGCPSA-N 391.424 -0.093 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)ncn2)[C@H]1c1cccnc1 1812874614 WKXZLKHSWBSTNT-UGSOOPFHSA-N 395.375 -0.015 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CC)NC(C)=O)CCO2 1829864415 GGMFDNXFOKIXCP-VQIMIIECSA-N 379.457 -0.229 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1831434378 WUEAVTBXMRKZBJ-ZRGWGRIASA-N 395.456 -0.830 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835114942 URSUJONYVMFNBG-YZVOILCLSA-N 395.456 -0.688 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835302221 VEEXEDOFLHJRRH-XUWXXGDYSA-N 399.513 -0.324 30 20 GBED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835397243 AHEICJUNDFAUPB-YLJYHZDGSA-N 395.500 -0.013 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](COC)NC(C)=O)C2 1844237193 FMSHLIGQVBKNQI-GJZGRUSLSA-N 381.473 -0.086 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)NC(=O)NCC)c1 16557985 LZEDYPKCJHCPOZ-LLVKDONJSA-N 381.410 -0.011 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 23225016 RMKLUSHWEVLAJU-UHFFFAOYSA-N 392.324 -0.125 30 20 GBED C[C@@H](C(=O)N1CCCC1)N1CCN(/C(=N/C2CC2)NCC(=O)N(C)C)CC1 262320532 RVSOKXULAHIDJH-HNNXBMFYSA-N 378.521 -0.189 30 20 GBED Cn1c(=O)/c(=C\c2ccc(C#N)o2)s/c1=C(\C#N)C(=O)NC[C@@H]1CCCO1 266592722 XSQJYDHQVWOARJ-PZJGXPBYSA-N 384.417 -0.290 30 20 GBED CN(C)Cc1ccc(/C(N)=N/OCC(=O)NCCCN(C)S(C)(=O)=O)cc1 268547943 CLZLOUAHHXOEPF-UHFFFAOYSA-N 399.517 -0.217 30 20 GBED O=C(CN1CCOCC1)N1CCN(/C(O)=N/[C@@H]2CCO[C@]3(CCOC3)C2)CC1 329107619 DXXJEIIQGUZEGA-VQIMIIECSA-N 396.488 -0.285 30 20 GBED CC(=O)N1CCC[C@](O)(/C(O)=N/[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 329109805 GANXTRQUAVNWCW-CRAIPNDOSA-N 382.461 -0.751 30 20 GBED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCc2c[nH]nc2C1 349469525 BBIGBZLPHMHXSY-CYBMUJFWSA-N 389.503 -0.045 30 20 GBED CN1CC[C@@]2(CCN(S(=O)(=O)CCCS(=O)(=O)NC3(C#N)CC3)C2)C1 349496918 HZEIMSFGPUDKOH-CQSZACIVSA-N 390.531 -0.291 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)c1C#N 349604247 SUKJKSDVZYTJMB-UHFFFAOYSA-N 386.459 -0.103 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCc2c[nH]nc2C1 349622188 VHHQPBCVQPIELR-AAEUAGOBSA-N 389.503 -0.250 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 437020421 KOSLLHGTBKWEEG-DOTOQJQBSA-N 391.472 0.251 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N(CCO)CCCO)n2)c(Cl)c1 440317781 WSRNZKBYBCZIFP-UHFFFAOYSA-N 391.815 0.539 30 20 GBED N#Cc1cccc(CCNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)c1 467770432 MJBRDKXRDPNEAK-UHFFFAOYSA-N 375.410 -0.378 30 20 GBED C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 498867511 PAMBBLGVCZLLIK-SNVBAGLBSA-N 377.426 -0.200 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3C[C@H](C)N(C4CC4)C3)CC2)c1C#N 569409263 WCACNGJDZUNWKP-ZFWWWQNUSA-N 399.499 -0.010 30 20 GBED C=CCCOCCNC(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 583957179 NXRGYGLVMDSCRQ-ZQDZILKHSA-N 375.425 -0.381 30 20 GBED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)cc1 608911592 KVVDDKZEOWLGDN-UHFFFAOYSA-N 396.472 -0.261 30 20 GBED C=CCN(CCOC)C(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 674427228 ONNADMZAXPZKER-ZQDZILKHSA-N 375.425 -0.429 30 20 GBED C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 675003724 JHKFISZZJQFKSP-GFCCVEGCSA-N 381.458 -0.208 30 20 GBED O=C(CN1CCN(C(=O)C#Cc2ccccc2)CC1)N[C@H]1CCS(=O)(=O)C1 747392327 AZPFTOAWVXUKHZ-KRWDZBQOSA-N 389.477 -0.514 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)CC1 761032181 GFVCLSHUSNJYRN-CABCVRRESA-N 399.517 -0.524 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)OC)CC1 772633426 AGXHVWKZWJQVIZ-CABCVRRESA-N 385.486 -0.585 30 20 GBED C#C[C@H](NC(=O)C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1)[C@H]1CCCO1 785524622 PGMBXCIUXWSHFV-BYCMXARLSA-N 379.438 -0.192 30 20 GBED Cn1cc(S(=O)(=O)NN=CCc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 793035056 VNZJYZUHWYXVHV-UHFFFAOYSA-N 381.370 -0.501 30 20 GBED N#CC1(CS(=O)(=O)NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 793196106 RYTJSEQVIRBZPO-AAXDQBDMSA-N 381.410 -0.711 30 20 GBED CN(CC(=O)N1CCN(c2ccc(C#N)nc2)CC1)[C@@H]1CCS(=O)(=O)C1 801288306 SREOPPMANAOMAT-MRXNPFEDSA-N 377.470 -0.279 30 20 GBED CCOC(=O)CON=C(C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O)c1cc[nH]n1 832832349 YRWWMBHUHOIKEJ-FIXISWKDSA-N 377.401 -0.194 30 20 GBED COC(=O)NCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 836648615 AIOYAOAJDLANLR-UHFFFAOYSA-N 395.441 -0.070 30 20 GBED CS(C)(=O)=NS(=O)(=O)N1CCN(CC(=O)NC2(C#N)CCC2)CC1 846965624 SVVOUDCKOSZNDG-UHFFFAOYSA-N 377.492 -0.861 30 20 GBED C[C@H](CCC(=O)N[C@H]1CCCN(O)C1=O)CC(=O)N[C@@H]1CCCN(O)C1=O 848138005 IAYUFVIGJAQSQM-FRRDWIJNSA-N 384.433 -0.214 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 972393743 DNXCLRNSPMZFHD-OEUWWYETSA-N 390.440 -0.421 30 20 GBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1n1ccnn1 990961652 GSKMASLJAQLUNG-JJXSEGSLSA-N 384.440 -0.716 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CC(=O)NC1=O 999329366 CXUSMOJWDGUYDE-DGTMBMJNSA-N 376.413 -0.623 30 20 GBED Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H]2CN(C)C[C@@H](C)O2)n1 1043813664 BSUFYUAZLCUUHX-XLNGHYISSA-N 386.456 -0.208 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CN(C)C[C@@H](C)O1 1057973025 HPKQSLBSMVZBCI-TWMKSMIVSA-N 383.489 -0.376 30 20 GBED C#Cc1cccc(NC(=O)CN2C[C@@H](O)[C@H](NC(=O)[C@H]3OCCO[C@H]3C)C2)c1 1077162309 OWNMPCMISGKVHE-YUFWVBKYSA-N 387.436 -0.428 30 20 GBED N#Cc1ccc(OC2CCC(NC(=O)C(=O)NC[C@H]3COCCN3)CC2)nc1 1118926067 ZJYXPCOKGUQTJE-PCKAHOCUSA-N 387.440 -0.136 30 20 GBED CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@H](C#N)C1 1118986357 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20 GBED N#Cc1ccc(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[nH]n4)nn3)C2)[nH]1 1581868045 FVOBWXDBRREZJF-NSHDSACASA-N 380.372 -0.190 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H](CC)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588351238 KOCMUAIKJNFHNZ-ZFWWWQNUSA-N 384.444 -0.083 30 20 GBED C#CCNC(=O)[C@H](C)NC[C@](C)(NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 1588353338 OJBVENBPDIFWTJ-VOJFVSQTSA-N 384.444 -0.179 30 20 GBED C#CCOCCC(=O)NC[C@@]1(O)CCN(c2ncc(-c3nn[nH]n3)cc2F)C1 1588361255 INVNQYJPGYPKFF-KRWDZBQOSA-N 389.391 -0.502 30 20 GBED C=CCn1c(CCO)nnc1N1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 1588703682 RUMNCWVOWJOMDJ-UHFFFAOYSA-N 399.463 -0.452 30 20 GBED N#CCN(CCC(=O)O)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1601070994 OKKMKWUHJJOZEK-HZSPNIEDSA-N 399.469 -0.077 30 20 GBED CCc1nc(-c2nn[nH]n2)cc(N2C[C@H](O)[C@H](NC(=O)C#CC(C)(C)C)C2)n1 1604548877 ZPBNHHHKZXWIPC-OLZOCXBDSA-N 384.444 -0.066 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@](F)(C#N)C1 1609125847 SWPIQBQCBSMMKF-BONVTDFDSA-N 393.404 -0.002 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1778968260 QONYJCZECVPRKQ-SCLBCKFNSA-N 377.445 -0.168 30 20 GBED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1779311014 PPORWARZRMANQZ-QFBILLFUSA-N 377.441 -0.619 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnnc(Cl)c3)C[C@@H]21 1791073981 JMXGHLXESUCPMV-DRZSPHRISA-N 392.799 -0.189 30 20 GBED CCOc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)cn1 1794339943 PJMJFBZNPHXQQE-DPIQGUFMSA-N 388.380 -0.834 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 1795391291 WMKJKZVZISCWKK-XYFZXANASA-N 380.445 -0.345 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OCC 1797585108 ZBDKCXMLYDNRNW-XYFZXANASA-N 399.444 -0.768 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)OC 1801205288 XCJVECCCDFJHMZ-YWVIFJGQSA-N 397.428 -0.559 30 20 GBED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342594 XRFJVRLZUVSEHY-IFXJQAMLSA-N 392.456 -0.387 30 20 GBED CS(=O)(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835347656 AYBILQXSHPVUCM-QGZVFWFLSA-N 399.469 -0.819 30 20 GBED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)o1 1836028389 FHEHULIFLHCICU-BDJLRTHQSA-N 384.458 -0.305 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836139221 HSMKXLNWGGSPND-MAUKXSAKSA-N 377.445 -0.053 30 20 GBED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2)C(F)(F)F 1839166055 DTNASGHMSMZGTQ-IUODEOHRSA-N 393.362 -0.304 30 20 GBED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)NCCC#N 18393347 HWIJERAOPNWPGP-UHFFFAOYSA-N 384.414 -0.767 30 20 GBED CN(CCC#N)S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 66872684 VOOPCCYUVRMDKV-UHFFFAOYSA-N 391.431 -0.447 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 275322047 QAHHPFGTLQRRKN-MSOLQXFVSA-N 399.451 -0.759 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCC1(N2CCOCC2)CC1)c1cc[nH]n1 278343863 NRTNDKJJUMTQAY-RCCKNPSSSA-N 379.417 -0.326 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@H](CO)CN1CCCCC1)c1cc[nH]n1 298591424 MHLGDUKPEBPRCM-JEEMYIIMSA-N 381.433 -0.344 30 20 GBED C[C@H](C(=O)N1CCN(C/C(O)=N/[C@H]2CCS(=O)(=O)C2)CC1)n1cccn1 329572225 JBPPSRRXELSMGZ-KGLIPLIRSA-N 383.474 -0.268 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H]1CCNC1=O 349453910 PFBYVEUFXKNXGS-LLVKDONJSA-N 386.455 -0.660 30 20 GBED C[C@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc(C#N)ccn1 349473436 HYRDTYMKDUPYKY-LLVKDONJSA-N 376.460 -0.273 30 20 GBED Cn1c(NC[C@H]2CCCN(c3nccn4cnnc34)C2)c(C#N)c(=O)n(C)c1=O 374388881 DTANZLOCRCKCOZ-GFCCVEGCSA-N 395.427 -0.278 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@H]3CN)CC2)c1C#N 423719278 COBAKECXAQMHOF-XJKSGUPXSA-N 387.488 -0.165 30 20 GBED COc1ccc(S(=O)(=O)N2CC(O)(CC#N)C2)cc1[C@@]1(C)NC(=O)NC1=O 440096825 ZRXWSITZVVZIQP-OAHLLOKOSA-N 394.409 -0.601 30 20 GBED COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 509352421 YWNGKCYUJWOORE-GJZGRUSLSA-N 389.522 -0.376 30 20 GBED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCCOC)n(C)c1=O 512720467 LOJKRJNYYFVTRW-UHFFFAOYSA-N 375.454 -0.681 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@H](c3ncon3)C2)cc1 563190492 SEJQFSANXAAAOM-ZDUSSCGKSA-N 377.382 -0.180 30 20 GBED C[C@H]1CC[S@@](=O)CCN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N 574099995 RJKRBAUCNITMDX-AMXDTQDGSA-N 399.560 -0.229 30 20 GBED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 574674424 ULQVWHLWFZBJPY-CABCVRRESA-N 384.440 -0.367 30 20 GBED N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 615630856 GVRBQBBDZPEMTM-INIZCTEOSA-N 378.364 -0.855 30 20 GBED Cc1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1S(=O)(=O)NCC#N 738255649 JCTHLLXMQUSOOE-UHFFFAOYSA-N 381.410 -0.151 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)N2CC(=O)Nc3ccccc32)CC1 761035510 ADWMBRUKLCQVSM-UHFFFAOYSA-N 391.453 -0.943 30 20 GBED COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 783494624 FUIDIORLZDZUDS-STQMWFEESA-N 376.417 -0.265 30 20 GBED COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 807777490 NITYRGHMLRYMTO-HUUCEWRRSA-N 391.428 -0.582 30 20 GBED CN(C)c1c(C=NNc2nccc(N3CCOCC3)n2)c(=O)n(C)c(=O)n1C 807976189 HPVDVDJXGKJEHI-UHFFFAOYSA-N 388.432 -0.777 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)[C@@H]1CCCO1 809312709 NUZDMMFAQKUCNS-GJZGRUSLSA-N 385.424 -0.874 30 20 GBED C#CCN(C)CCCNC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 818584078 CIORPFOFCKQQGA-UHFFFAOYSA-N 380.426 -0.687 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H]3CC[C@H]2[C@H](C(=O)OC)C3)c1=O 840160467 JPNFJDAGHWEEOC-ZNMIVQPWSA-N 390.440 -0.225 30 20 GBED CS(C)(=O)=NS(=O)(=O)N1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 846967373 XTMAYGFQMKAHIJ-AWEZNQCLSA-N 399.498 -0.325 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)NCC(=O)OC)c1 914425293 JPURBNOQNDDWJQ-LLVKDONJSA-N 384.410 -0.015 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@@H]1CC 985515979 NWJFFIYLPJVXSF-QXSJWSMHSA-N 378.473 -0.495 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cn(C)c(=O)nc2O)[C@H]1C 988079996 TVHZCTNYCFNNKP-RFHZTLPTSA-N 376.413 -0.204 30 20 GBED C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2COCCO2)CC1 997356818 FZBSMGXSRAIAGP-VSZNYVQBSA-N 375.469 -0.005 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@H]1O 1023939576 HALJFULLXFMRAZ-ABFRBSLYSA-N 389.456 -0.029 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2nnn(C(C)(C)C)n2)C[C@H]1O 1025710527 TZXDXWZNTCGVMP-SYQHCUMBSA-N 392.460 -0.750 30 20 GBED CCc1nc(C#N)cc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)n1 1044832575 VJKTXYDPXQQASE-ZKRAEAORSA-N 387.440 -0.372 30 20 GBED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2cc(=O)n3[nH]cnc3n2)n1 1055365106 PGLUVAMUZHDBRA-FOGDFJRCSA-N 377.368 -0.381 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H](O)COCCOC)nn1 1109812857 SMGHPFCMCSNRBB-AIANPOQGSA-N 379.461 -0.177 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2cc(C(=O)OC)c(C)o2)CC1 1117050891 LAJAIRQHMZKHOX-UHFFFAOYSA-N 389.408 -0.021 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@H](C)N(CCOC)[C@H](C)C1 1118222819 GRDNYDMQMZQNEW-OKILXGFUSA-N 375.491 -0.729 30 20 GBED C#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 1129113864 WDSPJSBLEPRNHC-CBZIJGRNSA-N 386.456 -0.816 30 20 GBED CC(C)[C@@H]1CCO[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NCC#N)C1 1129854831 AOFZARSTXTZBQQ-IVSAIRAKSA-N 389.460 -0.680 30 20 GBED N#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@@H]1n1ccnn1 1129857703 FCEMJSRGLVRNGR-JJTUDDRGSA-N 383.456 -0.138 30 20 GBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1221700932 VGOMSXHYIUJTHW-FPCVCCKLSA-N 376.457 -0.918 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](O)CN1CCCC1=O 1319896380 VAWRQYSOXSSWOJ-OCCSQVGLSA-N 394.453 -0.675 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCCN2CCC[C@H]2C1 1323420592 NNSCKUUPHMVVBH-PVEMMZBWSA-N 375.429 -0.674 30 20 GBED C[C@H](O)CN(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1324766007 MIAVWFDQBJIUOL-ZDUSSCGKSA-N 394.453 -0.770 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 1327059237 MSJDJPBGBLGEHW-UHFFFAOYSA-N 394.475 -0.068 30 20 GBED C#CCOCCNC(=O)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 1328863714 DYISQWUMGGAREV-AWEZNQCLSA-N 383.445 -0.105 30 20 GBED N#CCCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1344850971 AMQBQZWDHYZKKI-UHFFFAOYSA-N 394.453 -0.256 30 20 GBED C[C@@H](C(=O)NCc1cnn[nH]1)N1CC(OC2CCN(C(=O)[C@H](C)C#N)CC2)C1 1575175548 BIWGJLUVPHNJDW-OLZOCXBDSA-N 389.460 -0.339 30 20 GBED Cc1nsc(N[C@H](CO)CNC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)c1C#N 1577628746 SKPDNLVIXDQACG-JSGCOSHPSA-N 390.473 -0.005 30 20 GBED C#CCN(C(=O)CNC(C)=O)C1CCN(c2ncccc2-c2nn[nH]n2)CC1 1588348276 OPRQMEXSSWCOPM-UHFFFAOYSA-N 382.428 -0.172 30 20 GBED C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1588350250 KXAXIWBKTLFICM-UHFFFAOYSA-N 375.393 -0.555 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588499268 HWXQHILBBDKDLU-BZNIZROVSA-N 377.405 -0.929 30 20 GBED C#CCNC(=O)CC(=O)N1CC[C@@](C)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1602722458 SDJPTDAZPQPQRO-QGZVFWFLSA-N 384.400 -0.945 30 20 GBED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)NC(=O)OCC)C1 1779201489 PPCNJZHVOGKYSM-DKSSEZFCSA-N 395.456 -0.022 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1782620712 HXJXOKWPGOFARP-NDVVBYJMSA-N 377.441 -0.106 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)[C@H](C)CC 1793391630 QTKBUGOLOKZAQQ-YRQJOFNUSA-N 393.484 -0.159 30 20 GBED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795638078 VDUIEUSYPUJWNT-BASYENTBSA-N 378.473 -0.638 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1831425476 UWCTWPSJZISMTK-ACJLOTCBSA-N 394.428 -0.224 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1831597913 NDSPAQKCGPLOQO-KDOFPFPSSA-N 399.513 -0.127 30 20 GBED Cn1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)n1 1836055906 ZOTLDADHOXTGOX-LJQANCHMSA-N 389.456 -0.031 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837254157 UNPXSRWSNPWWRV-AUOONRHXSA-N 397.497 -0.404 30 20 GBED N=C(N)SCC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1837831004 FYYQACCHIBRXNI-UHFFFAOYSA-N 396.469 -0.300 30 20 GBED C[C@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839162790 AYLWTKOIULFDLG-SCLBCKFNSA-N 389.412 -0.909 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1840165852 MCKNYLLVQAGJOD-IUODEOHRSA-N 394.515 -0.804 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N)CCCO1 349526356 SSPGQLFDVYQMFF-CYBMUJFWSA-N 378.476 -0.504 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)N(C)C(C)(C)C#N)CC(=O)N1 349597133 CPWPIELYXCTSET-LBPRGKRZSA-N 394.519 -0.520 30 20 GBED COc1ccc(CCN2C[C@@H](C(=O)NCC(=O)NCC#N)CC2=O)cc1OC 376195437 BYTZXCYVRATXQH-AWEZNQCLSA-N 388.424 -0.149 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H](O)[C@@H](CO)C3)CC2)c(Cl)c1 410900004 ORWIGUJOPIWFED-CZUORRHYSA-N 392.843 -0.328 30 20 GBED CN(CCC#N)S(=O)(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 502021644 YQMYELVZLANVGD-ZDUSSCGKSA-N 380.492 -0.797 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)C1=O 518568276 GZGKPEHXDNLAPM-GFCCVEGCSA-N 386.412 -0.093 30 20 GBED COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)NCC(=O)NCC#N 577313309 NYNVQBHVYWPAJT-UHFFFAOYSA-N 375.385 -0.071 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CC(=O)N(CC3CC3)C2)cc1 578247763 IPQKNZYNWJELGC-UHFFFAOYSA-N 398.466 -0.311 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 728535621 AYNMFVGSRZIXRS-JYJNAYRXSA-N 388.468 -0.556 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)c2cc(F)cc(F)c2)CC1 728608719 RDOVIXUUIFMDLS-UHFFFAOYSA-N 378.379 -0.412 30 20 GBED COC(=O)CN(CC#N)C(=O)CCc1c(C)nc2c(-c3nn[nH]n3)cnn2c1C 736919914 ZFZNSJWRMODUII-UHFFFAOYSA-N 397.399 -0.016 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(CN3CCN(C)CC3)C2)c1 816752062 ONAHGXOUXITURA-UHFFFAOYSA-N 390.509 -0.083 30 20 GBED C[C@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)N1CCO 836866462 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1118618792 LYQRGVYUBDOFHL-KBPBESRZSA-N 381.410 -0.867 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1CS(C)(=O)=O 1320013982 PAZDJBHNABOQGO-UHFFFAOYSA-N 388.467 -0.113 30 20 GBED N#Cc1cnc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(Cl)c1 1320963623 UFRBIIQKEGQZER-STQMWFEESA-N 384.845 -0.478 30 20 GBED C#CCOCCNC(=O)C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 1321531525 COVYJFXEAXZJPR-CQSZACIVSA-N 376.335 -0.558 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCCS(=O)(=O)C3)CC2)nc1 1322775409 VWUDTCVAUGCUOE-AWEZNQCLSA-N 391.453 -0.705 30 20 GBED COC(=O)C1(C#N)CCN(C(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)CC1 1326278943 URYCEOPRHDCVER-UHFFFAOYSA-N 379.417 -0.882 30 20 GBED Cn1cc(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 1332745463 XJLROADTGFYLAO-OAHLLOKOSA-N 381.396 -0.385 30 20 GBED CC#CCN(Cc1cnn[nH]1)c1nnc(C)n1C[C@@]1(O)CCS(=O)(=O)C1 1575122229 UHTPVMLARHQGDU-HNNXBMFYSA-N 379.446 -0.716 30 20 GBED CC(C)C#CC(=O)N1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1589384729 OMNCEXDCOKKNKO-GOSISDBHSA-N 385.428 -0.063 30 20 GBED C#C[C@@H]1COCCN1CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O 1602697570 XTJYJWYMFGMGAV-CQSZACIVSA-N 381.396 -0.078 30 20 GBED C=CCCO[C@H](C)C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 1602840693 COVXCNSSSLFDQC-CHWSQXEVSA-N 388.432 -0.041 30 20 GBED C=CCCCNC(=O)C(=O)N1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C 1609055033 NSNGZXURAQZEPW-GFCCVEGCSA-N 385.432 -0.224 30 20 GBED N#Cc1cn(CC(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)c(=O)nc1O 1630822001 UVHZLSJJJGYTCF-CQSZACIVSA-N 381.392 -0.015 30 20 GBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 1631842147 VIPOQHGNUYSWSB-SNVBAGLBSA-N 385.471 -0.023 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccn(C)n1 1723955675 OTUSTOIMFDIADW-DGCLKSJQSA-N 394.461 -0.601 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCNC(=O)CC(C)C)C[C@H]1O 1757036567 SAJJEXIFVPYTMX-FPCVCCKLSA-N 381.473 -0.182 30 20 GBED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)Cn1ccnn1)CCO2 1779016808 PJTUKZQLSUXSME-TYJAPOHBSA-N 389.460 -0.420 30 20 GBED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1779073962 KXFJITDVYQBRKY-YOEHRIQHSA-N 381.385 -0.775 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781099950 ZRFWODATRFGKED-VKJFTORMSA-N 384.546 -0.230 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnnn1C)CCO2 1781265830 SHGZSLRIISZYNF-SFHVURJKSA-N 391.428 -0.232 30 20 GBED Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nc2nccn12 1782355853 CKTRUUWCULNITC-IBGZPJMESA-N 397.391 -0.431 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C[C@@H]21 1784480988 BURJIPYVTFHYAZ-WOYTXXSLSA-N 391.468 -0.469 30 20 GBED CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786704214 FFXBBKDEQYWZSJ-IHRRRGAJSA-N 381.502 -0.246 30 20 GBED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)S)[C@H]2C1 1791261945 MMKMAFJFMDGECY-PEDHHIEDSA-N 386.518 -0.008 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 1792577124 ACVSWBFLZNEBQT-WVCIDPQESA-N 379.457 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1831210091 ZXBBDXMXJAEUKY-NRFANRHFSA-N 399.447 -0.131 30 20 GBED C/C(=C/C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)C(=O)O 1831223463 UKGLCLZZUDMQRO-CPPNXCSESA-N 376.409 -0.113 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834398266 LTUKXHKUFKWIRD-HNNXBMFYSA-N 378.477 -0.081 30 20 GBED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)Cn4cnnn4)CC3)CC2)CC1 1834599854 UBRNWCBUZIUSDX-UHFFFAOYSA-N 386.460 -0.452 30 20 GBED C[C@@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834755857 FDHSUIQLIAMGLY-MAUKXSAKSA-N 375.429 -0.111 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CN)CCO2)C1 1835529904 CZHIVOIRNHTYED-DAYGRLMNSA-N 384.477 -0.162 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836347851 RLODBFUSWLRSBE-CXAGYDPISA-N 379.417 -0.534 30 20 GBED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839238127 VPXAHPXPSITGJK-QAPCUYQASA-N 377.445 -0.053 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1839899448 YSHOTONXSNJMMH-GOSISDBHSA-N 378.425 -0.191 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840568926 WGHPFIISYWZRDS-QAPCUYQASA-N 385.530 -0.041 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1840844995 YAKNVXHNIQUJBA-HXUWFJFHSA-N 391.468 -0.131 30 20 GBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2sccc2C#N)C1=O 270729877 NAHIBLRUNWWURW-QWHCGFSZSA-N 396.494 -0.040 30 20 GBED C=CCn1c(=O)/c(=C\c2cscn2)s/c1=C(\C#N)C(=O)NCCOC 299088144 SSAKJCHDYLLCMB-GLKBESIRSA-N 376.463 -0.182 30 20 GBED CN(C)S(=O)(=O)c1cc(/C(O)=N/CCN2CCS(=O)(=O)CC2)co1 330441218 DMWZPXXKURWAFG-UHFFFAOYSA-N 379.460 -0.435 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N)CC1=O 349472663 GTCHVECPIZKPLN-LBPRGKRZSA-N 380.492 -0.956 30 20 GBED COC(=O)C[C@H]1COCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 377482747 SBSKKBDPNQJTBF-NSHDSACASA-N 381.410 -0.484 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCO[C@H](CN)C3)C2=O)cc1 418899217 BQEAZEWMUZFOMN-HZPDHXFCSA-N 385.424 -0.644 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C 430216953 JSNKBRASISRMMZ-JSGCOSHPSA-N 395.423 0.498 30 20 GBED C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 430230276 VUEJBULGTLIHAE-SWLSCSKDSA-N 395.423 0.249 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C 437507198 KVEIXIPHTMWOSG-CJNGLKHVSA-N 375.491 -0.082 30 20 GBED C[C@@H]1CN(CCO)CCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 457104660 DALMOWBUYNWOMP-CQSZACIVSA-N 380.470 -0.296 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(CC#N)CCOC)c1 457186975 ZCXGULQMXWHNME-UHFFFAOYSA-N 384.458 -0.123 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)NC1(C#N)CCCCC1 497567088 FMFQRGPDXOATHR-CQSZACIVSA-N 380.445 -0.291 30 20 GBED COC(=O)Cn1ncc2c(=O)n(CC(=O)NCc3ccc(C#N)cc3)cnc21 518826742 WVRRBSNHLZADCN-UHFFFAOYSA-N 380.364 -0.046 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(N)=O 531131072 OVYZUBYFVCPDRY-UHFFFAOYSA-N 399.457 -0.866 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)O)c1 547928549 CRCQKLBEIHDUQD-OZAJXLCCSA-N 386.451 -0.191 30 20 GBED Cn1c(N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c(C#N)c(=O)n(C)c1=O 563765649 INTUCFLNAJAMQZ-NSHDSACASA-N 381.458 -0.746 30 20 GBED CSCC[C@@](C)(C#N)NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 564251198 FPTBTORRHVXFOE-INIZCTEOSA-N 378.458 -0.025 30 20 GBED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCN2CCCOCC2)n1 578686613 TUDURIGQLRLKNL-UHFFFAOYSA-N 383.412 -0.084 30 20 GBED C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2cnccc2C#N)CC1 579908968 QOOWPEUDVRDCDA-HIFRSBDPSA-N 377.470 -0.233 30 20 GBED Cc1cc(C)c(S(=O)(=O)NCC(=O)NCC#N)c(C)c1NS(C)(=O)=O 586775332 DGCDBASDYYLTGN-UHFFFAOYSA-N 388.471 -0.099 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 598025898 CXZWTTHZDVWTFJ-UONOGXRCSA-N 386.451 -0.599 30 20 GBED N#Cc1cccc(CNC(=O)CN2C(=O)N[C@H](CC(=O)N3CCOCC3)C2=O)c1 603614693 QHQSUXQEQOPLJR-OAHLLOKOSA-N 399.407 -0.656 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)OCCCN2C(=O)CNC2=O)cc1 733432087 ZNEPSSXGBGQJQE-UHFFFAOYSA-N 379.394 -0.303 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@@H](O)C(=O)OC)CC2)cc1 747518842 PRWWSQFVOJCHLX-MRXNPFEDSA-N 394.449 -0.016 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCN1CCOCC1=O 785279415 ATFHIVJPANHQBY-LBPRGKRZSA-N 381.410 -0.373 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(C)csc2C(=O)OC)CC1 785490149 XEBIZBNZMQZIGO-UHFFFAOYSA-N 399.494 -0.101 30 20 GBED CC#CCS(=O)(=O)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 810775356 BZQUZJKWFVHVMN-GFCCVEGCSA-N 387.458 -0.029 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(CC(=O)O)cc2)CC1 825687439 JWUPWZSUBSXMFU-UHFFFAOYSA-N 388.424 -0.301 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(cc2F)NC(=O)CC3)CC1 831565120 MRABUYDBOMSOHY-UHFFFAOYSA-N 394.428 -0.064 30 20 GBED C#CCCNS(=O)(=O)CCCS(=O)(=O)Nc1nc2n(n1)CCCC2 848965497 QILJFQYUKUWQSN-UHFFFAOYSA-N 375.476 -0.311 30 20 GBED Nc1n[nH]c(CCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 854516929 ULAJPYFLMBQXAF-UHFFFAOYSA-N 377.430 -0.436 30 20 GBED CN(CCOCCO)C(=O)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 867558830 DTXJNKQXNIDSAP-UHFFFAOYSA-N 378.404 -0.187 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C 988303613 JZWWDCQQDKBQAV-MQYQWHSLSA-N 390.444 -0.536 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CNC1=O 1006468852 MSIMUFXODVTXQF-POQQGIQPSA-N 376.413 -0.623 30 20 GBED C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCN(C)[C@@H]3CC)C2)CC1 1023979175 RPOVTGNZKWOHSD-WJFTUGDTSA-N 390.528 -0.250 30 20 GBED Cc1cc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2cnc(C(N)=O)n2)c(C#N)cn1 1055460941 AHPOSEDRXMFZIV-MCIONIFRSA-N 380.412 -0.122 30 20 GBED C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N[C@@H](C)C(=O)N(C)C 1110545033 QFSQJOMTXNGVCM-JJXSEGSLSA-N 378.473 -0.659 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)NCCNS(=O)(=O)NC(C)C 1117620832 PPUNNDSPBYHVPT-UHFFFAOYSA-N 396.469 -0.737 30 20 GBED C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1C 1215202394 XMTHADMEPPANAV-RUCLQGLUSA-N 394.472 -0.514 30 20 GBED CS(=O)(=O)NC[C@H]1CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2)C1 1322410130 RIAVZPFZRVWNDI-OAHLLOKOSA-N 378.454 -0.038 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)n1 1323015211 SSHYERRUWCHGKG-OAHLLOKOSA-N 383.456 -0.007 30 20 GBED C=CC[C@@H](CC)NC(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 1323102051 SUMOKTYIFFHDBS-CQSZACIVSA-N 375.491 -0.032 30 20 GBED CN(C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCNC1=O 1327107265 HAAVBICAYATQPL-CABCVRRESA-N 383.408 -0.878 30 20 GBED CON(C)C(=O)C1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1330511823 UWLPTMXIOLQGSQ-HNNXBMFYSA-N 377.445 -0.556 30 20 GBED Cn1c(-c2cn(CCCC#N)nn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1343473892 QKGOGHKCXRANKL-UHFFFAOYSA-N 393.477 -0.105 30 20 GBED C#CCN1CCN(c2nnc(C3=NO[C@@H](CO)C3)n2CCCOCC)CC1 1346837944 CMIVZSMGECFQPF-OAHLLOKOSA-N 376.461 -0.055 30 20 GBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)CCOCc4cnn[nH]4)C[C@@H]32)nn1 1575112828 ZEXPMALVGIAKOY-VIKVFOODSA-N 386.416 -0.624 30 20 GBED N#C[C@H]1CN(c2nnc([C@@H]3CCCN3)n2CC(=O)N2CCOCC2)CCO1 1580042096 NGCJGQFYUFSNMY-KBPBESRZSA-N 375.433 -0.710 30 20 GBED N#CCc1cccc2c1CCN(C(=O)Cn1cc(-c3nn[nH]n3)c(O)nc1=O)C2 1581859248 CNCGAPKFXSHBTP-UHFFFAOYSA-N 392.379 -0.220 30 20 GBED N#C[C@@]12CN(C(=O)[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C[C@H]1CS(=O)(=O)C2 1581859253 CRVCHUOWCWXVLV-XEZPLFJOSA-N 388.409 -0.703 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1C 1588354105 FUXHVRPMRRLWEF-CMPLNLGQSA-N 384.400 -0.947 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)O)CC1 1588483958 NJQLTYLAMWMRBP-GJZGRUSLSA-N 385.486 -0.283 30 20 GBED N#CCSCC(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[nH]n3)n2)C1 1592680139 GIKWGXVXZLCIIE-OAHLLOKOSA-N 389.445 -0.321 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[nH]n4)n3)C[C@H]2O)nc1 1602739188 AMYGAJRKKLQMSI-HUUCEWRRSA-N 391.395 -0.679 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@H]2O)c1 1606357554 SYOFWNRQJUMQFC-CHWSQXEVSA-N 383.347 -0.420 30 20 GBED N#Cc1ccccc1OC[C@H](O)CN1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)O 1608219509 ZYTKINZZCFCZIK-MJBXVCDLSA-N 388.380 -0.623 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](O)[C@H]3C(=O)O)CC2)o1 1610551688 RQMNEDMMXUYQON-HIFRSBDPSA-N 377.401 -0.587 30 20 GBED CNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1748090205 QYYYBJJGTTUOIU-ZDUSSCGKSA-N 389.460 -0.099 30 20 GBED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1768463610 RNFDKEVZYVOVML-UHFFFAOYSA-N 383.412 -0.247 30 20 GBED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(N)=O)C2 1780807814 ZMSWNFJHUMOGPJ-HBUWYVDXSA-N 397.476 -0.031 30 20 GBED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)c1 1781961843 SJUZXUNDNVWJAV-GOSISDBHSA-N 399.386 -0.172 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782658316 BABGPZFSJJFMKM-KXBFYZLASA-N 388.424 -0.889 30 20 GBED NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1783147224 AEAJBFQLANMDRS-CPIJOOSUSA-N 396.444 -0.389 30 20 GBED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783564152 GMCUVXDLLNOVMF-SCLBCKFNSA-N 379.413 -0.791 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1783565143 PMLQVOSBWZRSLP-HXUWFJFHSA-N 388.420 -0.397 30 20 GBED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1784533046 HMGAICWTBDXFED-RZLSGREXSA-N 397.545 -0.240 30 20 GBED CCC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785446361 GAXDPSNBXJSYKR-RDTXWAMCSA-N 379.413 -0.791 30 20 GBED C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)N1CCOCC1)C2 1793583700 KCQCAFJKPSJACI-NAHJCDBISA-N 381.473 -0.134 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nccnc2C(N)=O)C3)CC1 1795412074 FBNGVWJCPZZCMJ-ZSBIGDGJSA-N 384.396 -0.918 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSC(=N)N)C2 1797708393 VKLACZOQROUBPE-GFQSEFKGSA-N 384.502 -0.224 30 20 GBED Cn1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c2cccnc21 1800777507 XASQMPWWAYYBMJ-IVWMJMPLSA-N 396.403 -0.136 30 20 GBED N=C(N)SCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1814731018 ZROAPLTXKPNXSP-SSDOTTSWSA-N 381.439 -0.230 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831215451 NURVCTDZVLRNAR-BEFAXECRSA-N 392.456 -0.697 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836347285 DXAXDMWHSNNUOE-BLLLJJGKSA-N 383.474 -0.171 30 20 GBED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H](C)N3CCN(C)CC3)CC2)CC1 1836374927 JMFMVFTYICAINB-KRWDZBQOSA-N 389.544 -0.173 30 20 GBED COc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cn1 1840158143 GRDZMGSJZVUHLL-PXAZEXFGSA-N 396.469 -0.127 30 20 GBED NC(=O)[C@H](N)CCC(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1842945518 BULWBHUJLXQWBY-VPNURPJOSA-N 378.477 -0.746 30 20 GBED C#Cc1cccc(NC(=O)CN(C)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 53206473 FIGTVDLHHUBYCU-UHFFFAOYSA-N 394.435 -0.015 30 20 GBED C#CCN1C(=O)[C@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 263641976 CMSXHLBRZJWQKO-LAVFMPCWSA-N 394.478 -0.097 30 20 GBED C[C@H](O)CN(C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[C@H](C)CO 297599442 ANPBQXSXVMUGJV-KGLIPLIRSA-N 375.429 -0.808 30 20 GBED CN1C(=O)CO[C@@H](/C(O)=N/[C@H]2CCCN(S(C)(=O)=O)C2)[C@@H]1c1cnn(C)c1 329894174 BFTYQFAYIAMUPN-AEGPPILISA-N 399.473 -0.301 30 20 GBED CNS(=O)(=O)C[C@H]1CCCN1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 330634470 BUFBULHRGWXRCZ-CVEARBPZSA-N 385.534 -0.308 30 20 GBED N#CCC1(O)CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc(C#N)ccn2)C1 349453219 FKDCXOMUQMLHKN-UHFFFAOYSA-N 399.454 -0.625 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1CCNC(=O)C1(C)C 349592211 QAKHRWMEAYFTBD-UHFFFAOYSA-N 380.492 -0.908 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1=O 374062960 UBKUVEUDNLCFAE-CVEARBPZSA-N 378.473 -0.588 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 409534465 IBYFJOCKOWBSMO-AWEZNQCLSA-N 387.506 -0.622 30 20 GBED COC(=O)CCN(C)S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465494710 JHZHLZOGYPIURZ-GFCCVEGCSA-N 382.446 -0.402 30 20 GBED C=CCN1CC[C@H](N(C)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1=O 500028666 YFPSIEBDCPDAHO-INIZCTEOSA-N 394.497 -0.289 30 20 GBED C[C@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)CN1CCOCC1 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C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C(F)(F)F 1112166054 BPKHEFIAMWUMPQ-WISYIIOYSA-N 392.378 -0.700 30 20 GBED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C=NNC(=S)NCC(N)=O 1116024625 VOYDRINNDBBFOB-MRVPVSSYSA-N 392.894 -0.512 30 20 GBED C#Cc1cccc(CNC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)c1 1261395217 WUYKBDHIDPYJPK-UHFFFAOYSA-N 379.438 -0.938 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 1323507440 QQTXIAMCZCZSGK-UHFFFAOYSA-N 398.441 -0.698 30 20 GBED CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1325618406 HDGRUMUQPOKGHO-ZIAGYGMSSA-N 396.444 -0.120 30 20 GBED CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1326597349 QLYUDTRDBFVROE-DKASORFFSA-N 392.412 -0.569 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCN1Cc2ccccc2OCC1=O)[C@H]1CCCO1 1333063384 CERCWAMPAZRMRK-DOTOQJQBSA-N 385.420 -0.179 30 20 GBED N#CCCNC(=O)CN1C(=O)N[C@@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O 1338482052 KRCGOZKAZRUMIU-MRXNPFEDSA-N 394.384 -0.220 30 20 GBED Cn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C#N 1343515972 QAJDNYMMURUXTA-UHFFFAOYSA-N 375.433 -0.876 30 20 GBED C#CCCCC(=O)NC1(CN[C@@H](C)C(=O)NCc2cnn[nH]2)CCOCC1 1574867115 PJGJPDGFCSWEGS-AWEZNQCLSA-N 376.461 -0.132 30 20 GBED C[C@H](OCc1cnn[nH]1)C(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(C#N)c2)C1 1575857996 MYIOONYKCKDIBJ-APPDUMDISA-N 387.400 -0.697 30 20 GBED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCNCC1 1579345387 BVJPDCQGEUGWRD-UHFFFAOYSA-N 375.458 -0.224 30 20 GBED CS(C)(=O)=NC(=O)CNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1580173008 WFHYFTRDPPZKSC-GFCCVEGCSA-N 375.414 -0.081 30 20 GBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588352960 BROBODARBLPASX-MRVWCRGKSA-N 384.444 -0.037 30 20 GBED C#CCNC(=O)CC(=O)NC1CC(N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588354618 SAEIHSIEKIEDAS-UHFFFAOYSA-N 384.400 -0.947 30 20 GBED N#CC[C@@H]1CCCN(C(=O)C(=O)NCCNc2ncccc2-c2nn[nH]n2)C1 1592673858 QTMRNXHXQWGRCX-LBPRGKRZSA-N 383.416 -0.058 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[nH]n2)cc1Cl 1602724370 DFMFOIVKFYSTEB-KOLCDFICSA-N 379.808 -0.158 30 20 GBED C[C@]1(C#N)CCN(C(=O)CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 1603737433 RYTPKPQFTNLTME-OAHLLOKOSA-N 375.414 -0.093 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1778970405 ZCIDUVFRPVYSAO-SUMWQHHRSA-N 388.486 -0.566 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782679049 GKIBPKJFIHGNJA-MEDUHNTESA-N 382.442 -0.291 30 20 GBED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1783887330 YHGAZRIFQLOXIU-HUBLWGQQSA-N 378.516 -0.185 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)C3)[C@H]2C1 1790856330 IHEYLBJTKSGIQD-QXKUPLGCSA-N 379.457 -0.307 30 20 GBED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21)C(F)(F)F 1790881657 FRAUMCDBRQYASM-DCAQKATOSA-N 377.367 -0.432 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC)NC(C)=O)C2 1793341159 KXSMLMFBZQFXQC-RKOFLFEYSA-N 379.457 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COC(=O)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC 268741574 QDTUZDSZORWGBS-MFKMUULPSA-N 397.409 -0.554 30 20 GBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O 270751154 UCMVMPZWDHQPIY-HOCLYGCPSA-N 390.465 -0.101 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)NCCN3C(=O)CNC3=O)C2=O)cc1 272425462 DZGLHNVVQRJQRZ-AWEZNQCLSA-N 384.396 -0.095 30 20 GBED CS(=O)(=O)CC1(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 290484913 VQYAINUNEQBRTM-UHFFFAOYSA-N 385.467 -0.222 30 20 GBED COCCCN(CCO)C(=O)C(=O)N1CCN(c2snc(C)c2C#N)CC1 297780480 IZCRRGFYWYIFHH-UHFFFAOYSA-N 395.485 -0.171 30 20 GBED Cn1cc(/C=c2/s/c(=C(\C#N)C(=O)NC[C@H]3CCCO3)n(C3CC3)c2=O)cn1 297987184 XMYYLROTOJZDCI-PZMFPMMMSA-N 399.476 -0.224 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H](CNS(C)(=O)=O)C2)CC1 330635859 DRJOAGSVXSHTRB-SJORKVTESA-N 399.561 -0.060 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CO)c2nc(-c3ccccc3)no2)C1=O 375983044 FPJNLPDLJKTNDR-LBPRGKRZSA-N 399.363 -0.137 30 20 GBED CN(CCN1CCOCC1)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 439563810 XBWVWHCIZSYBJO-UHFFFAOYSA-N 397.439 -0.073 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C 478838403 GKNNWVZFQSIAAX-UHFFFAOYSA-N 375.454 -0.510 30 20 GBED CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 512949003 SQSIDYBZKPIQDW-UHFFFAOYSA-N 394.388 -0.513 30 20 GBED COC(=O)[C@H](O)C1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 539239721 JQDZNERNZYCJSL-SJLPKXTDSA-N 380.489 -0.075 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CN(CC(C)C)CCO2)C1=O 555731073 WAYKKQWCBYVRSJ-HZPDHXFCSA-N 380.489 -0.295 30 20 GBED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2nnc3ccccn23)CC1 559291250 NYSFKFMZVFBYMK-UHFFFAOYSA-N 390.407 -0.039 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 576240648 DQUHQQPFAGEWPI-LLVKDONJSA-N 398.466 -0.470 30 20 GBED CN1CCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H](CN)C1 591582719 WCXHQBPQSGVIBL-SFHVURJKSA-N 384.484 -0.696 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCc2cn(C)nn2)cc1 594617482 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30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)COc2ccc(OC)c(C)c2)CC1 831564552 AXMNNSJGKSXKJR-UHFFFAOYSA-N 381.454 -0.006 30 20 GBED Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CNC[C@@H]2C#N)CC1 834510551 CKPPRVOMWMSJHH-KBPBESRZSA-N 381.458 -0.080 30 20 GBED C#CCN(CC#CC)S(=O)(=O)CCCS(=O)(=O)Nc1nncs1 848961399 XUNZBTTWAZATLN-UHFFFAOYSA-N 376.485 -0.042 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC(N2CCCS2(=O)=O)CC1 875595803 DHCHOIDZEVKINA-AWEZNQCLSA-N 385.486 -0.443 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCCN2C2CC2)CC1 894455354 ILBLLWNIRKMHPY-MRXNPFEDSA-N 383.518 -0.202 30 20 GBED C#CCN1CCN(C(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)CC1 906674667 DSYABIHCVNXNSW-UHFFFAOYSA-N 398.506 -0.104 30 20 GBED CON=Cc1ccc(C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 916422867 BAFYNSYMWCQSAB-ZDUSSCGKSA-N 397.409 -0.163 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@@H]1O 964477067 VEWHVFCRCKTLEJ-GUSZCTEKSA-N 389.456 -0.175 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2C(=O)CNC2=O)c1 1005976089 ZAXOQFMXXNOBSC-KFWWJZLASA-N 381.392 -0.524 30 20 GBED C#CCN1CCC(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 1047044315 RANFZNDYMTUENL-ZACQAIPSSA-N 375.469 -0.411 30 20 GBED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)o1 1323250686 RTVRBCHYJZXBCA-JTQLQIEISA-N 375.428 -0.535 30 20 GBED N#Cc1cc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c[nH]1 1324815405 OHJSYYJNLNBYNS-AWEZNQCLSA-N 380.426 -0.626 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccoc2C2(O)CCOCC2)CC1 1325086482 WZRXFPZNYGCVHW-UHFFFAOYSA-N 375.425 -0.215 30 20 GBED CN1C(=O)CC[C@H](NC(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1=O 1325952116 FTASOEXWBLGEGT-GJZGRUSLSA-N 384.392 -0.278 30 20 GBED CC1(C)CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C[C@]2(CCOC2)O1 1329817653 ZMLKQXLLKZEEPG-KXBFYZLASA-N 376.457 -0.018 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1 1332920176 GWZMEHNGPCOGDW-OAHLLOKOSA-N 379.457 -0.188 30 20 GBED N#CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cc1 1342323262 ALCVMTGMYHBFFT-UHFFFAOYSA-N 390.425 -0.217 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCN(C(=O)OCC)C2)CC1 1343366495 LPNKOGFEKHCNLL-AWEZNQCLSA-N 378.429 -0.679 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H](NC(=O)N(C)C)C2)C1=O 1344923979 GAXHZMOMXOCGKZ-KBPBESRZSA-N 379.461 -0.506 30 20 GBED COC[C@@]1(CO)CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1468138620 SWRQOTOXMVHXQK-KRWDZBQOSA-N 381.454 -0.027 30 20 GBED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(c2cnccc2C#N)CC1 1470983093 NTQSYFDQYMQRNC-STQMWFEESA-N 388.428 -0.149 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NCc3cnn[nH]3)C[C@H]2C)cn1 1575032441 CVWWRDTXHOORER-IIYDPXPESA-N 381.440 -0.064 30 20 GBED Cn1cnc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1586111281 WXOFPGJRBOZCCY-UHFFFAOYSA-N 388.453 -0.081 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)O)c1 1588847571 FNDUEGXDIMOOFX-ZDUSSCGKSA-N 381.410 -0.482 30 20 GBED COc1ccc(CCNC(=O)Cn2c(N)nc(C#N)c2-c2nn[nH]n2)cc1OC 1591585044 JBQHDDCUTWHTFR-UHFFFAOYSA-N 397.399 -0.107 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCc2ccc(-c3nn[nH]n3)cc2)CCN1C1CC1 1592673323 XHLDXFCIJUUUPH-OAHLLOKOSA-N 380.412 -0.318 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN([C@@H](C(=O)O)c1ccc(C#N)cc1)C2 1598134874 FBZQIJZSJPSYGZ-MRXNPFEDSA-N 384.396 -0.354 30 20 GBED C=CCOCC(=O)NCCN1CCC(Nc2cncc(-c3nn[nH]n3)n2)CC1 1602867987 GNCHCZUFPIMOLC-UHFFFAOYSA-N 387.448 -0.148 30 20 GBED N#CCSCC(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1606350767 DDIQSNQZIUYQJD-LLVKDONJSA-N 390.429 -0.591 30 20 GBED CCOC(=O)CC1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)COC1 1636747569 KNPLLQZCWFFXLX-UHFFFAOYSA-N 381.410 -0.437 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCS(C)(=O)=O 1723917641 XEULKUJPVAWJJL-GHMZBOCLSA-N 392.507 -0.329 30 20 GBED C=CCNC(=O)NC(=O)CNC[C@H](C)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1753626715 IJKLWWWLLIDARU-RZLSGREXSA-N 382.461 -0.608 30 20 GBED O=C(O)CNS(=O)(=O)c1ccc(C=NN[C@H]2CCS(=O)(=O)C2)cc1 1776011954 FMZINNRNUKKWPH-NSHDSACASA-N 375.428 -0.840 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1778968254 QONYJCZECVPRKQ-ACJLOTCBSA-N 377.445 -0.168 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1ccnn1)C2 1782017828 NEJIYLKLFRJKKN-RDTXWAMCSA-N 389.412 -0.730 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783165388 QSPROJBVVBNANK-IFXJQAMLSA-N 393.440 -0.538 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(N)=O)C1 1783284349 FFCHKXRYEHRXFP-PJIJBLCYSA-N 396.488 -0.258 30 20 GBED CC(=O)N[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C(C)(C)C 1783558821 ZPSXSLLKFNEGLG-QFBILLFUSA-N 393.440 -0.545 30 20 GBED CC(=O)c1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)n[nH]1 1785840583 DWFOYPIQATYUKO-HUBLWGQQSA-N 388.380 -0.706 30 20 GBED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCS3(=O)=O)[C@H]2C1 1790748748 APZFBUBIXUMBMD-QMVSFRDZSA-N 390.527 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375.381 -0.901 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)Cc1cccnc1)CCO2 1836506128 PODFGHMHTMLDPQ-FXAWDEMLSA-N 388.468 -0.016 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1 1839225121 XZMRAVVIKOMEJE-HDMKZQKVSA-N 384.477 -0.162 30 20 GBED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840163356 GQLFHRCRDDBEQY-SEZUTPLYSA-N 385.486 -0.199 30 20 GBED N#Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)CN3CC(=O)NC3=O)C2)cc1 1841890358 ATSCEAHXOPORPU-UHFFFAOYSA-N 395.419 -0.144 30 20 GBED Cc1ccc(=O)n(C(C)(C)C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)n1 1844354670 KGKZKIDANQARRN-UHFFFAOYSA-N 386.408 -0.422 30 20 GBED CCN1CCN(CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C(=O)C1=O 61735471 JFKZVKRTAADGJL-UHFFFAOYSA-N 383.452 -0.107 30 20 GBED C#CCOc1ccccc1CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 265109160 DEPDHDWMYIHJRB-UHFFFAOYSA-N 381.392 -0.238 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)C[C@@H]1C 268894562 ZMYGGEUGLBGOLK-RYUDHWBXSA-N 385.467 -0.129 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1=O 286339182 AYGGEGJPUSVYSY-LLVKDONJSA-N 398.441 -0.964 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 292281848 IHXVZRAELUHHSC-RDJZCZTQSA-N 380.489 -0.247 30 20 GBED C/C(O)=N/C[C@@H]1CN(C(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CCO1 329876065 HKHCTYXXPOUODB-PDAWATHFSA-N 379.413 -0.259 30 20 GBED CC[C@H](/N=C(/O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)N1CCOCC1 330162098 ADIRASDQBYAQKF-OLZOCXBDSA-N 376.479 -0.497 30 20 GBED O=S(=O)(N1CCOCC1)N1CCN(/C(O)=N/[C@@H]2CCC[C@@H]2CCO)CC1 330282963 VVUUEODILOCNAJ-HUUCEWRRSA-N 390.506 -0.354 30 20 GBED O=S(=O)(N1CCOCC1)N1CCN(/C(O)=N/[C@@H]2CCC[C@H]2CCO)CC1 330282964 VVUUEODILOCNAJ-LSDHHAIUSA-N 390.506 -0.354 30 20 GBED CO[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N[C@]2(C#N)CC2(C)C)C[C@H]1O 349457237 DZJHTYYNLSVTFS-BZPMIXESSA-N 395.503 -0.991 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)C[C@H]1C 349501890 IUYLRIRRHCBLLB-CYBMUJFWSA-N 378.520 -0.292 30 20 GBED C[C@H]1C(=O)N(C)CCN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N 349504304 MLXGMTLDDYKMGT-NEPJUHHUSA-N 380.492 -0.958 30 20 GBED C[C@H]1C(=O)NCCN1S(=O)(=O)CCCCS(=O)(=O)N(C)[C@H](C)C#N 349592088 PEMWBKPVJZJQDO-NEPJUHHUSA-N 380.492 -0.910 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCCO2)n1 349604289 ONWHVDDEILROFZ-LBPRGKRZSA-N 391.475 -0.478 30 20 GBED COCCNC(=O)[C@@H]1CC[C@@H](C)N(S(=O)(=O)N(CCC#N)CCOC)C1 409570164 KBHGBJKKQFNQKS-HUUCEWRRSA-N 390.506 -0.044 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)N(CCN1CCOCC1)CC(=O)OC 410154409 NITQGPWIQNTATL-CQSZACIVSA-N 376.479 -0.480 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCC[C@@H](CO)[C@H]3C)CC2)c1C#N 414603850 WXCYNYSNNYFOIR-CABCVRRESA-N 388.472 -0.132 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1 470245647 BKKHKUBTJQDXFN-GXTWGEPZSA-N 380.426 -0.359 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCc1nc(O)n[nH]1 487945283 MSHZRVOFLRGZFF-JTQLQIEISA-N 378.414 -0.202 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 539355001 YSVQLRODOCGINP-UXOAXIEHSA-N 386.412 -0.583 30 20 GBED C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 574923856 DCMZXFZZMKCZDJ-CYBMUJFWSA-N 378.454 -0.229 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCN2C[C@@H]3CC[C@H](C2)O3)c1 591084369 UXNNNPRYYDQWNH-GASCZTMLSA-N 378.454 -0.184 30 20 GBED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[C@](O)(CC#N)C2)[C@H](C)O)cc1 592847890 RJLXXWIFNYFDQI-JLJPHGGASA-N 381.454 -0.100 30 20 GBED N#CCc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCOCC2)CC1 601299345 PMADEYAIJCOLJS-UHFFFAOYSA-N 392.481 -0.082 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727222756 JMAWZZPMKMSOCP-MRVPVSSYSA-N 396.201 -0.426 30 20 GBED C#CCNC(=O)CN1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 735381990 ULTXWFMIVZIFIV-UHFFFAOYSA-N 385.388 -0.569 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745442129 SQFPKQPIVKWSCI-MMUTTWDGSA-N 379.369 -0.908 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnn(CC)c2)c1=O 758079452 JMYWYHSTXWXAMF-UHFFFAOYSA-N 399.476 -0.585 30 20 GBED CC(C)[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(N)=O 767678281 YEPPTAHTFUSFBQ-ZWNOBZJWSA-N 396.425 -0.012 30 20 GBED N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CCC1 771073326 HIRWPBOAVBMJJK-FPQZTECRSA-N 381.410 -0.711 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](CO)Cc2cnn(C)c2)c1 773443669 ZAEZHJRMOCEGBO-OAHLLOKOSA-N 390.465 -0.087 30 20 GBED CNS(=O)(=O)CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 784570772 HQFSHISHRGMERH-QWRGUYRKSA-N 375.451 -0.406 30 20 GBED C#CCCS(=O)(=O)NC(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O 810782293 LCCJXGDOVBZNDZ-UHFFFAOYSA-N 377.422 -0.205 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 920608450 RSLOCRABDHWXJE-VIFPVBQESA-N 391.384 -0.867 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(CCOC)c2)C[C@H]1O 1023958739 TYAXKJVDMNNZHQ-VQHPVUNQSA-N 392.456 -0.188 30 20 GBED CN1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nn2)S1(=O)=O 1055223761 SFSOKAYYNRULMT-ZOBORPQBSA-N 376.442 -0.392 30 20 GBED C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1055631706 JZURGJUIMBSHMU-NXNVCVFFSA-N 378.473 -0.106 30 20 GBED C=CCNc1nnc(S(=O)(=O)[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)s1 1115920479 LBDRZKLJDZEZQQ-DTWKUNHWSA-N 394.500 -0.399 30 20 GBED CCN(CCCNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1)S(C)(=O)=O 1116434157 FREIDKXUNUFTFU-UHFFFAOYSA-N 384.462 -0.169 30 20 GBED CN(CCNS(C)(=O)=O)C(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 1117832709 VPJNHUOCNYFWGG-UHFFFAOYSA-N 393.469 -0.786 30 20 GBED COCC#CCN1C[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)[C@H](OC)C1 1213437527 AFJSKKWGTGWIKZ-XMTFNYHQSA-N 393.484 -0.378 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCc2cccc(N3CCOCC3)n2)nn1 1261446560 CWOUPEROBPWVMR-UHFFFAOYSA-N 385.428 -0.372 30 20 GBED CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 1319429045 WXKFNZVSTSCUKC-GOSISDBHSA-N 385.428 -0.435 30 20 GBED CCOC1CC(CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)(N2CCOCC2)C1 1325780771 HUADPHWGEBEUMG-GMXGEUMGSA-N 382.436 -0.163 30 20 GBED C[C@H]1CC2(CCNCC2)CN1C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1326143063 QYJOZGWNDDUVPQ-PVEMMZBWSA-N 389.456 -0.380 30 20 GBED COCCN(Cc1c(C)nn(C)c1C)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326229041 IOFDXOBLURCYRJ-GOSISDBHSA-N 377.445 -0.111 30 20 GBED N#C[C@@]12CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)o3)C[C@H]1CS(=O)(=O)C2 1581859757 UGASVRLUNQJFQR-UFBFGSQYSA-N 384.399 -0.981 30 20 GBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H](O)C2)nc1 1581871315 POONGCXHAYVIEE-OCCSQVGLSA-N 379.384 -0.169 30 20 GBED N#Cc1nc(N2CCC(N3CCS(=O)(=O)CC3)CC2)cnc1-c1nn[nH]n1 1581878346 HDBRPHZSDRWKAC-UHFFFAOYSA-N 389.445 -0.772 30 20 GBED C=CCN1CCC(NC(=O)C(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)CC1 1588654629 LUKGZJGBJGDMHA-UHFFFAOYSA-N 399.459 -0.444 30 20 GBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](OC)C1 1588657208 HWRNGKKLUCQJND-ZLKJLUDKSA-N 388.432 -0.686 30 20 GBED C=CCOCC(=O)N1CCC(N(CCO)c2nccnc2-c2nn[nH]n2)CC1 1588667317 VVRLOXFTXAPSMK-UHFFFAOYSA-N 388.432 -0.351 30 20 GBED C[C@H](C(=O)N1CCC(C#N)(C(=O)O)CC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 1589346042 KHVVGVZEVBCZOM-SYLRKERUSA-N 375.381 -0.246 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2C[C@@H](C(=O)O)[C@H](c3ccc(O)cc3)C2)CCO1 1608180172 VJYILGSRJPSZAC-QLFBSQMISA-N 381.410 -0.039 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1783106219 AIULWWQUJUPWOT-IEZWGBDMSA-N 381.473 -0.321 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(Cl)c1)CCO2 1783557384 LFPURFWCZFCCBG-KRWDZBQOSA-N 393.783 -0.028 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1783564775 MISZEYGFLQLAEU-OXQOHEQNSA-N 384.388 -0.092 30 20 GBED CN1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]3C2)CC1 1783684203 RTJUZZNOQZCRGO-ULQDDVLXSA-N 391.516 -0.237 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1783924292 OZKUVIRUGSQBQP-ROUUACIJSA-N 381.429 -0.018 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]21 1784480334 WPBZROITOJDMCS-CWVYHPPDSA-N 377.441 -0.717 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)OC)C[C@@H]21 1784505683 UDDOQJKRULODDY-QPSCCSFWSA-N 383.445 -0.087 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O 1793829668 IABBWTMBOKDGBO-DRXBFXEBSA-N 396.469 -0.953 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCOCC2)cn1 1794441054 FIGVOGYDCCFBHL-CCWDJLKJSA-N 384.436 -0.245 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNCP(=O)(O)O 1795963108 WZJTUQKZSDCWGS-YIYPIFLZSA-N 389.389 -0.060 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(N)=O 1796321717 ZZUAUBFFBWRZED-QKGCVVFFSA-N 396.488 -0.404 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(N)=O)C2 1799306970 USZXDPAVSJPNNK-FVCICTRLSA-N 381.429 -0.649 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CCO2 1830303152 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OBPGEKQJJGPLKT-LJQANCHMSA-N 390.367 -0.016 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2 1840646708 OWODFELZWPXILJ-IBGZPJMESA-N 386.408 -0.231 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O 1848132069 VVIUPKUEMBBPJS-ZDEQEGDKSA-N 378.429 -0.641 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCc2ccccc2OC)c1=O 7394455 ZTZCXZZEOAQTEW-UHFFFAOYSA-N 386.408 -0.131 30 20 GBED C[C@@H](O)C(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 270783698 APOGWXIVJCGJTG-CHWSQXEVSA-N 394.453 -0.723 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)C1=O 275370138 KSIQKZOPMHKZIN-GXTWGEPZSA-N 375.385 -0.267 30 20 GBED CN(CCO)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 275391063 GPMDHWPDHMCBBB-NBVRZTHBSA-N 382.442 -0.111 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN(C(=O)OCC)CC2)C1=O 283505645 PUUQDSLNNXVUDQ-AWEZNQCLSA-N 380.445 -0.031 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)c1cc[nH]n1 286004138 SFRLNNQPBAIEQV-JQOVNYHDSA-N 384.433 -0.032 30 20 GBED C#CCNc1nc(N(C)C[C@H](C)C(=O)NC)nc(N(C)C[C@H](C)C(=O)NC)n1 288587068 XVFWZUBEFZGXDU-STQMWFEESA-N 390.492 -0.447 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)[C@H](C)[C@H]1C 349462669 LHAZKABQHBJJAI-MCIONIFRSA-N 380.536 -0.048 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 349488942 GJFSXINJRBSBPT-IHRRRGAJSA-N 379.504 -0.416 30 20 GBED CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N[C@@H](C)C1 349501805 NLYUCPCXXGCTKC-NWDGAFQWSA-N 380.492 -0.910 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCCOC2)n1 349594507 SHKJATFYCUIPQE-GFCCVEGCSA-N 391.475 -0.478 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 349599495 BDHXHHJEAUCNMP-AVGNSLFASA-N 392.503 -0.719 30 20 GBED COC[C@@H]1CN(C(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CCO1 410680358 CDXVEDUHKPDOPM-AWEZNQCLSA-N 390.444 -0.877 30 20 GBED N#Cc1cccnc1N1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)CC1 410746588 JKPFKRODSNRKBD-KSWRQPAISA-N 381.436 -0.170 30 20 GBED COCCNCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 420180792 HIDIKBWXKIWQNT-UHFFFAOYSA-N 377.420 -0.302 30 20 GBED N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)c1 424439913 PDYDKURUQYEEIQ-NSHDSACASA-N 385.785 -0.140 30 20 GBED CCOC(=O)Cn1cnc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)n1 425751675 CHYJSBBTJWULTR-UHFFFAOYSA-N 382.380 0.457 30 20 GBED N#Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)s1 435425559 ZFDCELZJYYMRKA-VIFPVBQESA-N 377.469 -0.409 30 20 GBED C=CCC[C@H](CO)NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 456767005 JHOURROGNYXNQD-GFCCVEGCSA-N 375.429 0.434 30 20 GBED COC(=O)[C@]1(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCOC1 482863203 ZEKLOCHGGPJHNT-BZNIZROVSA-N 381.410 -0.327 30 20 GBED Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CCN(c2cc(C#N)ccn2)CC1 485778099 UHTSEWXKGJSBOH-UHFFFAOYSA-N 388.453 -0.170 30 20 GBED Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CCN(c2ccc(C#N)cn2)CC1 485890574 CCEDJLXSHJTNCW-UHFFFAOYSA-N 388.453 -0.170 30 20 GBED COC[C@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1)OC 520254511 ZZQUXADJGYVQPC-LBPRGKRZSA-N 391.471 -0.230 30 20 GBED C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N 568646516 HWHGKFOLFLVYKS-ZSDNHXBWSA-N 399.560 -0.231 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CC(=O)N[C@H](C)C2)cc1 578906916 SESACHUSWVQVFZ-WDEREUQCSA-N 386.455 -0.614 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1nc2n(c1=O)CCCC2 593091516 LPAPDQZYGSCFPX-ZDUSSCGKSA-N 382.428 -0.220 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)ncc1C#N 594285953 AFJIBRRCSHLTHP-UHFFFAOYSA-N 398.423 -0.507 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCCN1S(C)(=O)=O 610704931 FABMBCWLMLLXQM-GXTWGEPZSA-N 378.458 -0.191 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)NCCOc2cccc(F)c2)CC1 728570756 MECFLXGEKZIDSA-UHFFFAOYSA-N 376.432 -0.312 30 20 GBED C#C[C@H](NC(=O)C(=O)NC1CCN(S(=O)(=O)CCC)CC1)[C@@H]1CCCO1 787093560 LOCOLLUKDZVUBN-GJZGRUSLSA-N 385.486 -0.396 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)CC1 831556837 VVSKJJVCEOIZBZ-WDEREUQCSA-N 396.391 -0.945 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2N(C(=O)OC)C3)CC1 831579678 LTUILUCNISIQQX-RBSFLKMASA-N 396.469 -0.759 30 20 GBED CCOC(=O)CON=C(C(=O)N[C@H]1C[C@H]2CCCCN2C1=O)c1cc[nH]n1 837254966 UEMKQGUIPGBLPM-YPMHNXCESA-N 377.401 -0.037 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)OC[C@H]2C1 848958997 RMPBYIKTWLXKTA-GFCCVEGCSA-N 394.475 -0.982 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCS[C@H](C)C1 848959583 LKKJDXHWPXZYBP-CYBMUJFWSA-N 379.529 -0.068 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CSCCS2)CC1 893554508 WMSQZSHVIKJMJH-GFCCVEGCSA-N 378.545 -0.370 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 940452608 ARNJOLBHXQJFFJ-SYQHCUMBSA-N 378.429 -0.518 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2CCOCC2=O)nc1 997559436 GGFTVCFXUOFRJS-PVAVHDDUSA-N 382.420 -0.217 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1O 1023960911 ZXPRNALQGPGRHD-NGFQHRJXSA-N 376.413 -0.937 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COC2CCN(C)CC2)C[C@H]1O 1025710432 OZUCXJXTTVYPNG-VQHPVUNQSA-N 381.473 -0.624 30 20 GBED C=CCOCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCNC(=O)C1 1109120199 HGYVWGVBVFCYGP-PMPSAXMXSA-N 378.473 -0.351 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc(S(C)(=O)=O)o1 1111081271 NXMHOGWCNQZPKL-UPJWGTAASA-N 379.438 -0.232 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 1116943967 DCHNBJTYBLRVEV-UHFFFAOYSA-N 384.392 -0.056 30 20 GBED O=C(CN1C[C@@H](O)[C@H](NC(=O)[C@@]23COC[C@@H]2C3)C1)NCC#Cc1ccccc1 1193095849 XUHYIXJSVNOXFU-OOSNJVJTSA-N 383.448 -0.648 30 20 GBED C=CCN1CCC(NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 1322163289 ZMLLDVVLENABSF-UHFFFAOYSA-N 386.456 -0.277 30 20 GBED N#CCC1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 1325147200 ITJYAPCDYYZJPH-UHFFFAOYSA-N 388.428 -0.167 30 20 GBED C=CCn1c(CN2CCC(O)CC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1340451150 VBOJUZQLXWHIKW-MRXNPFEDSA-N 378.477 -0.238 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1 1344840357 UDDSECZDLGJMNZ-HNNXBMFYSA-N 390.484 -0.310 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)nn1 1349044575 BQVGNDMXECTMPT-UHFFFAOYSA-N 375.433 -0.560 30 20 GBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CN(C)c1ncc(-c2nn[nH]n2)cc1F 1573286245 XABSXFVVHKTDIN-DGCLKSJQSA-N 391.407 -0.305 30 20 GBED C=CCCn1cc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[nH]n3)cn2)nn1 1573340921 CPEYFNVTPAYOGU-GFCCVEGCSA-N 384.404 -0.368 30 20 GBED C[C@@H](C#N)C(=O)N1CC2(CC[C@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)O2)C1 1573561718 MGUOTKCZWNAJTG-WDEREUQCSA-N 384.400 -0.156 30 20 GBED C#CCN(C(=O)CN1CCC(=O)NC1=O)C1CCN(CCc2cnn[nH]2)CC1 1574894677 DPZGJMAQVYZNJI-UHFFFAOYSA-N 387.444 -0.785 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCC[C@@H]2CNC(=O)CC(=O)NCc2cnn[nH]2)c1 1577712191 DLJBFNACDPWNPD-CYBMUJFWSA-N 384.400 -0.568 30 20 GBED CS(C)(=O)=NC(=O)CNC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1580173009 WFHYFTRDPPZKSC-LBPRGKRZSA-N 375.414 -0.081 30 20 GBED N#C[C@]12CN(C(=O)[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C[C@H]1CS(=O)(=O)C2 1581859924 CRVCHUOWCWXVLV-HEHGZKQESA-N 388.409 -0.703 30 20 GBED CN(CCOCCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(=O)c1c[nH]c(C#N)c1 1591110437 JCAVVLQWNCUTNZ-UHFFFAOYSA-N 397.399 -0.087 30 20 GBED N#CCSCC(=O)NC[C@H]1CN(c2cncc(-c3nn[nH]n3)n2)CCO1 1592679510 SPWAOMWCIICCAU-JTQLQIEISA-N 375.418 -0.765 30 20 GBED Cc1nc(=NC(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)n(-c2ccc(C#N)cc2)[nH]1 1606058273 SPWMNVPGKNBDPF-SECBINFHSA-N 390.371 -0.159 30 20 GBED N#Cc1cn(CCC(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)c(=O)nc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c1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)nn1C 1782010937 LNRPTWMIVKNRNP-DNVCBOLYSA-N 388.424 -0.056 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)CCC1 1782665709 AVDQSCOAXWPRCH-LJQANCHMSA-N 385.424 -0.233 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4C[C@H](O)CN4)[C@H]3C2)cc1 1789762638 CBFFWISTEFLIKP-VMXHOPILSA-N 398.463 -0.126 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)c1ccco1 1792512721 VTRMMNOZXBHLBM-QZLJAVCYSA-N 376.409 -0.059 30 20 GBED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1793383715 ZOBWPALCVBAUCG-XXUMUBMXSA-N 386.518 -0.877 30 20 GBED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2 1793389173 SQETXUCUGYRNBM-HPCHECBXSA-N 382.490 -0.222 30 20 GBED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795408270 SKGVLQSGKSGEDS-YIYPIFLZSA-N 398.485 -0.792 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 1799393867 QKOVKALJZXSRAR-XYFZXANASA-N 380.445 -0.345 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)[C@H]1c1cccnc1 1812872857 IFCMXLDSSLAFMF-DOXZYTNZSA-N 398.419 -0.298 30 20 GBED CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812879360 DITAOHUDSSLLPW-HNJNHCNJSA-N 386.408 -0.300 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)COC)C2)C1 1831387399 HBWIHTUMJOBWAJ-FRQCXROJSA-N 382.457 -0.236 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C)CCO2)C1 1834940932 PMTXAYMGTVIIIT-BEFAXECRSA-N 383.489 -0.423 30 20 GBED COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)CC#N)CC2)CC1 1835842577 DSTPCIZZTXZLTI-KRWDZBQOSA-N 393.488 -0.377 30 20 GBED N#CCCC(=O)N1CCC(OC2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1837794066 YNSRVAJAKGDPPH-INIZCTEOSA-N 393.488 -0.118 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2 1839881415 VZGIGHUEQPDRFY-DNVCBOLYSA-N 379.457 -0.229 30 20 GBED NC(=O)[C@@H](N)CCC(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844314066 RNRVLCFESUNVJG-SLSPDHCBSA-N 375.429 -0.505 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1=O 268423120 WYWADZCWKBKGBF-LBPRGKRZSA-N 397.395 -0.638 30 20 GBED C=CCNC(=O)CNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 271989442 PSJIYKDPZOPPHK-NSHDSACASA-N 380.426 -0.895 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCC1(N(C)C)CCOCC1)c1cc[nH]n1 276533151 DZHIAIDEDAHMNG-RCCKNPSSSA-N 381.433 -0.080 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C(C)C)N2CCOCC2)C1=O 285573373 JYWRYSXNCUKCRX-HOTGVXAUSA-N 380.489 -0.295 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 292385292 UWRNROOJEKKJKY-RYUDHWBXSA-N 380.474 -0.134 30 20 GBED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1 293651394 KOLNYJWEFFOWDV-UHFFFAOYSA-N 395.441 -0.598 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 409507928 BTGOGIYBIOHXEZ-OLZOCXBDSA-N 377.430 -0.672 30 20 GBED C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)nn1 425569336 YQZIOMLUCSONJG-UHFFFAOYSA-N 395.445 -0.191 30 20 GBED CC(=O)N1CCN(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 443109238 OXKOQFOLTGKBKG-UHFFFAOYSA-N 381.414 -0.091 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)CC1 459920659 WDBKUJAEDWXISE-AWEZNQCLSA-N 391.453 -0.904 30 20 GBED Cc1ncc(S(=O)(=O)NCCCCN2CCN(CCO)CC2)cc1C#N 489462555 YEMALLIWXGYADF-UHFFFAOYSA-N 381.502 -0.070 30 20 GBED CCN(CC)S(=O)(=O)CCNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 504016947 WUARLRSSWQEWON-UHFFFAOYSA-N 384.462 -0.169 30 20 GBED COc1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)cc1C(=O)N(C)C 511412692 FXVXNYFVZJBKBJ-UHFFFAOYSA-N 378.414 -0.161 30 20 GBED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 526055683 KZPLNJNUCGHVHD-JKSUJKDBSA-N 377.489 -0.198 30 20 GBED CN(C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)N1CCO[C@@H](C#N)C1 554521533 FIUBBOQLLFTQRW-ZDUSSCGKSA-N 376.479 -0.339 30 20 GBED CNS(=O)(=O)NCC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 559271527 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GBED C#C[C@@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1CCCO1 775342926 XGZUTVAAIRZPTI-HZPDHXFCSA-N 393.465 -0.036 30 20 GBED N#CCCCS(=O)(=O)NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 776117843 YRNYQZGJQUONHV-CYBMUJFWSA-N 381.389 -0.005 30 20 GBED Cn1cc(N2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)cn1 787756646 BXGWYGNPUBTAGB-UHFFFAOYSA-N 382.428 -0.436 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)OCc2cn(CC(=O)O)nn2)cc1 819706196 QOCDZKFIPPMXHS-UHFFFAOYSA-N 378.366 -0.369 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 850725738 CLQXUIMOPPFOOM-UHFFFAOYSA-N 387.396 -0.931 30 20 GBED C[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)C#CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)O1 995447066 YGGAISMGBFVYMP-DMRZNYOFSA-N 380.466 -0.196 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C)S(C)(=O)=O)nn1 1002761243 NZJFRTROIIUBDY-BYNQJWBRSA-N 381.458 -0.241 30 20 GBED N#Cc1cnccc1N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 1041426436 ZCFZYTOPAHWDPC-ZRJCITRHSA-N 386.330 -0.035 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)CC1 1120051673 BJVUYXUXDKCGFW-DOTOQJQBSA-N 384.502 -0.014 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C 1321852263 LDROLSXDTPTOEP-OLZOCXBDSA-N 375.491 -0.082 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H](C4OCCO4)C3)CC2)cn1 1335654881 HAMALPKOSRODDA-AWEZNQCLSA-N 385.424 -0.177 30 20 GBED C=CCn1c([C@H](O)COC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1520648586 BBPCBPISKGWDFJ-OAHLLOKOSA-N 378.477 -0.112 30 20 GBED CCN(CCC#N)C(=O)CN1CC(N(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1577909276 KOIWBISSKMMDOM-UHFFFAOYSA-N 385.432 -0.287 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C1 1588351921 AEVIEFOTJSSGTH-ZFWWWQNUSA-N 381.444 -0.209 30 20 GBED C#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 1588354634 SMUKXEMZVIVFJT-UXIGCNINSA-N 382.428 -0.473 30 20 GBED CN(CCNS(C)(=O)=O)C(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1609276203 RKQOCFZRSCHJLO-ZDUSSCGKSA-N 377.430 -0.443 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCNC[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 1609586601 MWOXTENXZCNQCK-WMQDPJMESA-N 399.411 -0.278 30 20 GBED CS(=O)(=O)NCCn1c(-c2ccccn2)nnc1N1CCO[C@H](C#N)C1 1771369546 SCAPWUOISFZUOC-GFCCVEGCSA-N 377.430 -0.382 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)c1 1780597268 NZJQESMPKCVKTJ-LJQANCHMSA-N 381.392 -0.122 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)c1ccco1)C2 1782009734 WMJRCXNQOPWUEK-DKSSEZFCSA-N 390.392 -0.085 30 20 GBED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)C1(O)CCC1 1783516529 UMPRASGPNSXRDM-AJNGGQMLSA-N 378.425 -0.395 30 20 GBED Cn1nc2c(c1C(=O)N1CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C1)CCC2 1783565211 KBGUPYIOICVANC-IBGZPJMESA-N 386.408 -0.560 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1783566319 TXCDXBRYIAWLQE-SFHVURJKSA-N 383.364 -0.511 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnnn3C)C[C@@H]21 1784501188 GVMOEIVIMGLJCS-YXWQFLTLSA-N 377.445 -0.001 30 20 GBED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1784533047 HMGAICWTBDXFED-YXWQFLTLSA-N 397.545 -0.240 30 20 GBED CNC(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788602353 YUTLZVWTSAHKFF-ONAMVWNYSA-N 393.488 -0.426 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NCCC 1793252596 ATGJXOXMTZKJFZ-OAFZBRQQSA-N 393.484 -0.079 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N(C)C(C)=O)C2 1793343230 PFYGBHKPVMXKSQ-LYHPXFHOSA-N 379.457 -0.519 30 20 GBED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O 1793834112 BRHGKRVYOCIDLC-NFFDBFGFSA-N 378.429 -0.660 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(N)s1 1795683541 GHAHJNMMNWCCNC-FMSGJZPZSA-N 378.454 -0.033 30 20 GBED CC(=O)OC[C@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1798476902 QDDCKSRPMZQSJP-XGUBFFRZSA-N 394.380 -0.793 30 20 GBED Cn1ncc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)ccc21 1800778396 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20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ncccc3F)CC2)C1=O 270699487 UMSABXWDLPXKPS-UHFFFAOYSA-N 375.360 -0.154 30 20 GBED COC(=O)CCN1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)[C@H](C)C1 275900294 JDQFIUFXVGRDKE-CYBMUJFWSA-N 376.417 -0.169 30 20 GBED C=CCCOCCNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 286480707 JGOQDZQXUYYPLC-UHFFFAOYSA-N 379.504 -0.810 30 20 GBED CNS(=O)(=O)N1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 298546657 YFEJLZIKGGPEFK-UHFFFAOYSA-N 377.426 -0.944 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(/C(O)=N/[C@@H]1CCO[C@H](C3CC3)C1)C2 329816623 WAAYBHIJHUBUJC-KGLIPLIRSA-N 392.460 -0.180 30 20 GBED CC(=O)N1CCN(/C(O)=N/CCS(=O)(=O)NC[C@@H]2CCCCO2)[C@H](C)C1 330037047 CZYKXPMYIHPLSF-HIFRSBDPSA-N 390.506 -0.059 30 20 GBED C[C@H]1CC[S@@](=O)CCN1S(=O)(=O)CCCS(=O)(=O)N(C)CC#N 349463707 VCXRYYCDGFXOFD-LAJNKCICSA-N 385.533 -0.666 30 20 GBED CCCS(=O)(=O)N1CCC(NS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409595305 KYEOORLUECKELT-ZDUSSCGKSA-N 380.492 -0.751 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC(C)(C)O[C@@H]3CCC[C@H]32)CC1 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C=CCNC(=O)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767677748 AGTMNUGDOVUUPV-LLVKDONJSA-N 394.409 -0.220 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H]3CN(C)CC[C@H]32)c1=O 768503918 UDRPORCBXRNWAR-JKSUJKDBSA-N 375.473 -0.083 30 20 GBED C[C@@](C#N)(NC(=O)COC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1 785654589 GJSQGLMDRQFCEP-LIRRHRJNSA-N 392.456 -0.481 30 20 GBED COC(=O)C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O 831128989 PKCYOALMQJNPJM-KOLCDFICSA-N 397.409 -0.364 30 20 GBED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cn2cnc(C(N)=O)n2)c1 844359755 LFLQYAQCHCPWGZ-UHFFFAOYSA-N 396.407 -0.750 30 20 GBED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCNC2)c1 850839632 VACCTQDPTNQCLP-SYPKWCCASA-N 393.469 -0.084 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(F)c2)CC1 872515452 NHLCOVVCJXQQNC-UHFFFAOYSA-N 391.446 -0.392 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2c(C)nc3ccccn23)CC1 898958822 GIZLKYQIPSUNEZ-UHFFFAOYSA-N 390.469 -0.062 30 20 GBED CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 920609033 YCMOQQFGJBMIFP-LLVKDONJSA-N 389.412 -0.259 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@@H]1O 958878213 IVYMNHWAHRHKJD-ZOCZZNGCSA-N 387.480 -0.463 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCOC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 965388999 QNVGSYRRLQPEJC-FZKCQIBNSA-N 391.468 -0.081 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2nnc(O)nc2O)nc1 998803759 DEEXPNDDZDFJFY-WXHSDQCUSA-N 380.364 -0.165 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cnc(C(N)=O)n1 1006388987 LIRQRKIBPBBQET-POQQGIQPSA-N 388.428 -0.784 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)cc2)C1 1024283266 ZUJFJYCHHJYNDI-VQHPVUNQSA-N 387.436 -0.393 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(CN(C)C)on2)C1 1024460578 GCUPVNFRZGUXHT-MIGQKNRLSA-N 378.429 -0.371 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)cn1 1025062530 QKLUUPUBYZCTQV-PFPDTZPXSA-N 385.420 -0.584 30 20 GBED CN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccncc2C#N)C1=O 1055101312 HLPFYDZYGZZIFX-DYEKYZERSA-N 382.380 -0.400 30 20 GBED C[C@@H](COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N)N1CCCC1 1109732951 BQCCUKYJAKGDHW-YVSFHVDLSA-N 377.489 -0.151 30 20 GBED COC(=O)[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CCO1 1117858565 MQRXEMHUTKGVSX-HZPDHXFCSA-N 387.392 -0.141 30 20 GBED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H](CC#N)C2)cn1 1261603044 IKMCMQKPNQZZPN-CQSZACIVSA-N 389.460 -0.348 30 20 GBED Cc1nc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCC#N)CC2)cn1C 1318621410 MFFWTHMIXYMMGO-UHFFFAOYSA-N 383.430 -0.688 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCNC(=O)C1CC1 1322524368 JTVSQPZOKRDZHK-GFCCVEGCSA-N 385.428 -0.972 30 20 GBED CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1326932489 OZLFBLOLZAGYJA-IHZWSQAXSA-N 390.440 -0.051 30 20 GBED CCn1c(S)nnc1CCNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1328041224 LDFKWPCFKJYVFI-SEYXRHQNSA-N 379.446 -0.045 30 20 GBED N#Cc1ccncc1C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1330110003 MKKAKZNMIXKZKI-ZDUSSCGKSA-N 398.466 -0.772 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCC(=O)N(C)Cc1ccccc1 1340478577 MOXMOCRCKUNIKK-UHFFFAOYSA-N 381.454 -0.522 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cnn3ccccc23)CC1 1343190212 ZCDUVTRTEUYLHJ-UHFFFAOYSA-N 376.442 -0.371 30 20 GBED C[C@@H](C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1)n1cnc(C#N)n1 1451228406 YYCJZQOYYWAFLK-AAEUAGOBSA-N 383.478 -0.218 30 20 GBED C[C@H](OCc1cnn[nH]1)C(=O)NC[C@@]1(C)CN(c2cnc(C#N)cn2)CCO1 1575855936 XLPVQDCHWPLYDK-SJCJKPOMSA-N 386.416 -0.217 30 20 GBED CS(=O)(=O)C1(Cn2c([C@H]3COCCN3)nnc2N2CC[C@](F)(C#N)C2)CC1 1579336342 YSBJRULFUSHALN-DOMZBBRYSA-N 398.464 -0.042 30 20 GBED COCCN(Cc1ccc(C#N)cc1)c1[nH]c(=O)n(C)c(=O)c1-c1nn[nH]n1 1579811860 AXEZEHILSILTIG-UHFFFAOYSA-N 382.384 -0.222 30 20 GBED N#Cc1nccnc1N1CCOC[C@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1581885754 LLAJELDZWVSSLI-SNVBAGLBSA-N 380.372 -0.508 30 20 GBED C#CCNC(=O)[C@H](C)N1CCC[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353317 NRTIFRDQNLAXNX-QWHCGFSZSA-N 384.444 -0.226 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 1588503193 XALGKTHXXZKDQW-IAGOWNOFSA-N 388.432 -0.569 30 20 GBED C=CCn1cc(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)nn1 1588711127 JYJOACKAJJAQSF-UHFFFAOYSA-N 382.388 -0.430 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NN1CCS(=O)(=O)CC1 1592667050 SWJOYRNONWYIEB-ZDUSSCGKSA-N 375.414 -0.689 30 20 GBED N#CCSCC(=O)N[C@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 1592679075 FEYYWRMHDCRKIX-OAHLLOKOSA-N 389.445 -0.639 30 20 GBED C#CCCCNC(=O)C(=O)N1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C 1602711020 AGJFGFJYXAHPQE-GFCCVEGCSA-N 383.416 -0.777 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(c2snc(C)c2-c2nn[nH]n2)CCO1 1602725866 NOEZFOHMCPQLAR-NEPJUHHUSA-N 391.457 -0.009 30 20 GBED N#CCCCCNC(=O)C(=O)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 1606348156 NCCRHSRJPIUTHR-UHFFFAOYSA-N 383.416 -0.280 30 20 GBED N#CCNC(=O)CNC(=O)NC1CCN(c2ccccc2-c2nn[nH]n2)CC1 1606349770 HGYVCEAMDXCKCI-UHFFFAOYSA-N 383.416 -0.226 30 20 GBED N#Cc1c[nH]c(C(=O)NCC2[C@H]3CN(c4ccc(-c5nn[nH]n5)nn4)C[C@H]23)c1 1606357096 GEJADRCIBLJIOQ-VXGBXAGGSA-N 376.384 -0.031 30 20 GBED C[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCN1CCC(=O)O 1609865792 WXAURGKWXBDKCA-GFCCVEGCSA-N 394.453 -0.268 30 20 GBED Cn1cc([C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CCN2)cn1 1634952666 YXJCIYPDOFXEJD-MRXNPFEDSA-N 388.453 -0.257 30 20 GBED CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCS1(=O)=O 1747221732 VKMCWXWGSDIUCO-ZDUSSCGKSA-N 384.462 -0.421 30 20 GBED CC(=O)N(CC(=O)O)C[C@H]1CN(S(=O)(=O)c2cccnc2C#N)CCO1 1776201087 IDCPRTFPTVQQDN-LBPRGKRZSA-N 382.398 -0.724 30 20 GBED C[C@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1781248574 YYXXSHGZDIGIFD-IXOFLNQHSA-N 396.444 -0.520 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2 1781267937 BMFOSOLINXYYRG-KXBFYZLASA-N 377.441 -0.146 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787092836 YSBZEGVSMJOTFK-ZQDZILKHSA-N 392.460 -0.774 30 20 GBED N#CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]3C2)cc1 1787426426 DCYLEUCQHSGOND-XSLAGTTESA-N 385.468 -0.368 30 20 GBED COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1792972702 UGMNBAJUBOLXOV-CGEFAEBTSA-N 392.408 -0.747 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC)C2 1793340362 TWXWQTFSOUFKEO-WVCIDPQESA-N 379.457 -0.471 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C)noc1N)C2 1793342756 OUNZMYGAPPHWMA-GUIRCDHDSA-N 376.413 -0.193 30 20 GBED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)cc1 1795260673 STPQHQMQTLYGEM-YVWYUNDQSA-N 386.404 -0.085 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](COC)NC(C)=O 1798637481 VPYUVENIFBQTFU-CMZRPVNOSA-N 379.457 -0.186 30 20 GBED CN(C)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cn1 1800777906 MVYIXURDNFPSKM-ZSBFGKGUSA-N 386.408 -0.561 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1803567534 QERKMNWSJKWYSE-IWCQGFGOSA-N 375.473 -0.036 30 20 GBED CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1830038059 BDXREOGZJRSPMI-SFHVURJKSA-N 395.460 -0.736 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1831391082 GBBOKESCZVDHEJ-DNVCBOLYSA-N 390.440 -0.472 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839882871 BOCDIIHWNYTXPM-KXBFYZLASA-N 395.456 -0.993 30 20 GBED CC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)c3cc(C#N)c[nH]3)C2)CC1 1844795850 IMLQRRUJGPORGJ-UHFFFAOYSA-N 398.467 -0.133 30 20 GBED CNC(=O)CN1CCC(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 28423048 CSQWUIXSZVTIOE-UHFFFAOYSA-N 385.472 -0.005 30 20 GBED Cc1ccc(S(=O)(=O)NCCNc2c(C#N)c(=O)n(C)c(=O)n2C)s1 269362238 PFFBJAMDVLYHHY-UHFFFAOYSA-N 383.455 -0.284 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21)c1cc[nH]n1 276613956 PYHYTLYJWUJBRX-ZCBGUTFKSA-N 377.401 -0.037 30 20 GBED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cnc3nc(O)nc(O)c3c2)C1=O 281581111 QGJNUQKJJZTXIC-LLVKDONJSA-N 379.398 -0.157 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)C1=O 283743008 XXTAIQOCMPLFEO-JSGCOSHPSA-N 379.413 -0.353 30 20 GBED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(c3ccc(C#N)cn3)CC1)CC2 286466175 SUABBJZIJLQIFT-OAHLLOKOSA-N 394.439 -0.367 30 20 GBED N#Cc1nc(N)n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1C#N 298266308 BHXYUCKHWLWVSP-UHFFFAOYSA-N 399.436 -0.258 30 20 GBED CC/N=C(/O)CN1CCN(C(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 329868195 XCJQCTAMSBDWLA-HJORKGSMSA-N 392.456 -0.342 30 20 GBED Cc1ccnc(NS(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)c1 349463824 VMEIBNMGCBNLGY-UHFFFAOYSA-N 388.471 -0.188 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)ncc1C#N 349539119 PQUZZRMPAITNIP-CHWSQXEVSA-N 388.471 -0.164 30 20 GBED N#CCc1ccnc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCOC2)c1 349554606 RNPMFTBHPHZIJR-CYBMUJFWSA-N 388.471 -0.012 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)OCC)C2)CC1 459812947 KQPPOQVBRYBHIQ-HNNXBMFYSA-N 394.472 -0.766 30 20 GBED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCC1CCN(CC#N)CC1 476121599 ORJASMBLJDIWKQ-GOSISDBHSA-N 391.472 -0.046 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2COCCO2)cc1 516061511 FVXSSNQDUIIUOV-CQSZACIVSA-N 397.453 -0.037 30 20 GBED N#Cc1cccc(CNC(=O)CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 532706539 WWDFQEUOPZBVAT-SJORKVTESA-N 392.481 -0.738 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NCC)cc21 540789405 PVOPUZZFJGDIJR-UHFFFAOYSA-N 394.453 -0.708 30 20 GBED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 567340042 YGOBTUYSSPGECA-CQSZACIVSA-N 392.464 -0.982 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCN3CCCC3=O)C2=O)cc1 583572350 CTQFDYHEWWEJQX-INIZCTEOSA-N 397.435 -0.486 30 20 GBED COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCCNS(=O)(=O)N(C)C 593595003 KFAMFULVYZJUAX-UHFFFAOYSA-N 390.443 -0.981 30 20 GBED CCOC(=O)C[C@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 597677446 NBNFPERKRVXSIA-WCQYABFASA-N 383.426 -0.345 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CN(C)C(=O)[C@@H](C)n2cccn2)CC1 733149867 VHFRXAQAKNAHKH-MRXNPFEDSA-N 388.472 -0.814 30 20 GBED COC(=O)CN(CC#N)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O 737859613 DKUPIOOCSFSXAE-UHFFFAOYSA-N 397.189 -0.582 30 20 GBED CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCCNc1ncccc1C#N 787786958 FYRYCDZAQJRDBY-UHFFFAOYSA-N 396.473 -0.731 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[C@@H]1CCCO1 804261302 WNQQOVXTBVFVEP-JYJNAYRXSA-N 378.473 -0.658 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2nc(S(C)(=O)=O)ncc2C)CC1 826550116 QJQZHMFRXZXQBN-UHFFFAOYSA-N 393.469 -0.914 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CC2CCN(CC(F)F)CC2)CC1 831584513 KUCMHZJRTWCTPY-UHFFFAOYSA-N 392.472 -0.035 30 20 GBED C#CCN(C)S(=O)(=O)CCCCS(=O)(=O)N1CCSC[C@@H]1C#N 848969053 VXHAGDQJCDYIEU-ZDUSSCGKSA-N 379.529 -0.068 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cnnc1O 960271990 BUYAKAFCZBBPNU-ZOBORPQBSA-N 377.401 -0.987 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1O 964192985 JOLWGMUFGQCYCJ-XFMPKHEZSA-N 375.429 -0.268 30 20 GBED N#Cc1sc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nc1Cl 1044538943 UJMOVTLIYZEBIZ-RYPBNFRJSA-N 385.833 -0.633 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@@H]2CCS(=O)(=O)N2)n1 1055344616 WTPDILWBAWORNL-RQJABVFESA-N 376.442 -0.426 30 20 GBED C#CCOCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1061584440 HUUNDJLJSQLTPH-NBOOPKSLSA-N 380.441 -0.579 30 20 GBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C[C@@H]1n1ccnn1 1070239613 YOBUMWHCDMHTDB-BDXSIMOUSA-N 388.472 -0.867 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)Nc2nnc(C)s2)C[C@@H]1O 1083789977 IIGCCWRMVMJOLW-NDBYEHHHSA-N 381.458 -0.463 30 20 GBED CC[C@@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCOCC1 1116227819 VIBGIWVJUZRBJJ-XROPSADXSA-N 379.417 -0.551 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 1118649210 ZUWSBLQFDPESKS-UHFFFAOYSA-N 387.502 -0.147 30 20 GBED N#Cc1cn(CC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c(=O)nc1O 1137593125 MBJIIZIQMJNMAB-IRXDYDNUSA-N 397.435 -0.180 30 20 GBED C=CCN(CC=C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1193067735 OTTOFXZBWNQNQW-KLHDSHLOSA-N 378.473 -0.737 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 1322480082 XFDIFOKNIUKCLU-OAHLLOKOSA-N 393.465 -0.145 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12 1323781069 STBFEVBQJBDHTF-GOSISDBHSA-N 391.449 -0.174 30 20 GBED C[C@H](O)CN1CCN(C(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 1327220837 NCZGQLOXIJGOQD-MAUKXSAKSA-N 386.452 -0.017 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)CCN1C1CC1 1330435865 KQRKQQZDTYAKBQ-ZMSDIMECSA-N 395.463 -0.007 30 20 GBED COC(=O)C[C@H]1CN(C(=O)C(=O)NCc2ccc(OCC#N)cc2)CCO1 1341799872 NRTUQCVMVNUYOB-HNNXBMFYSA-N 375.381 -0.004 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(CCCOCC(F)(F)F)CC2)CCO1 1348195861 SZNFCFXDKTTYTJ-ZDUSSCGKSA-N 392.378 -0.149 30 20 GBED COC(=O)CCN1CC[C@@H](OC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1=O 1350050062 IZXAZTVMGXGGKY-KXEGMRRWSA-N 379.369 -0.390 30 20 GBED C=CCOCC(=O)N1CCN(CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1588671562 KEGVCOFQRZHIHD-UHFFFAOYSA-N 388.432 -0.729 30 20 GBED C=CCn1cc(C(=O)N[C@H](C)CN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)nn1 1588713912 YVFLRYYCCFTWGM-SNVBAGLBSA-N 384.404 -0.137 30 20 GBED N#Cc1ncc(N2CCC(C(N)=O)(N3CCCCC3)CC2)nc1-c1nn[nH]n1 1592708502 VYDQLKZBGFJDPS-UHFFFAOYSA-N 382.432 -0.161 30 20 GBED N#Cc1ccc(N2C[C@H](C(=O)NCCc3nnc4n3CCNC4=O)CC2=O)cc1 1596014808 QGRWWCQWCPEPMV-CYBMUJFWSA-N 393.407 -0.395 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)c1 1606357352 NHUPBIISNLASJE-LLVKDONJSA-N 380.372 -0.508 30 20 GBED N#Cc1cn(CC(=O)N2CCN(C(=O)c3ccccc3O)CC2)c(=O)nc1O 1622312426 KOROFINNUVQTTO-UHFFFAOYSA-N 383.364 -0.489 30 20 GBED N#Cc1cn(CC(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)c(=O)nc1O 1630886920 RZANEMIDJNNWIV-SNVBAGLBSA-N 387.318 -0.120 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccnc(Cl)n3)C2)C1 1779505547 VUMOPNKXABIOKH-INIZCTEOSA-N 378.772 -0.339 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OC)nn3)C2)C1 1779894567 UMRCGUOEXZTVAC-LIRRHRJNSA-N 388.424 -0.033 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784455469 WWNAPWSBOCMJJN-HNAYVOBHSA-N 388.424 -0.276 30 20 GBED Cc1nn(C)c(C)c1CC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1784515216 QXYJVZXLUKHGSJ-LJQANCHMSA-N 388.424 -0.503 30 20 GBED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@H]2C1 1784805547 SOVNABBFKKEEIL-KKUMJFAQSA-N 375.425 -0.143 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)[C@H](C)CC)C2 1792484843 WXFNKXIUHJAPNK-YRQJOFNUSA-N 393.484 -0.159 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1793818939 IZXKSTADXAIOBC-NWJSVONSSA-N 396.469 -0.907 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccn3c(O)nnc23)CC1 1796286604 KAQHLYPPDINHLD-DABQJJPHSA-N 396.407 -0.058 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)[nH]1 1798178446 LTIHXQCUBDVKQC-OAILTHCBSA-N 389.412 -0.823 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOCC2)C3)CCC1 1801979503 KFNVJIPJCQYVIS-ALXJQNPVSA-N 390.484 -0.008 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1812880798 MVTWQOLUIPSBKM-SJCJKPOMSA-N 383.364 -0.949 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnnn1C)CCO2 1833235724 FRZOAMZSJSAMHM-GOSISDBHSA-N 375.429 -0.311 30 20 GBED N#CCC(=O)N1CCC(N2CCC(NC(=O)CN3CCOC3=O)CC2)CC1 1833385517 ZYIIJAUBKQATQU-UHFFFAOYSA-N 377.445 -0.076 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3)CCO2)C1 1834025091 VSAJKJZJOCABHK-KXBFYZLASA-N 388.424 -0.415 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1839192362 WWMLENQKQCKHON-MAUKXSAKSA-N 386.445 -0.957 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1840166242 ZEXZYTUNEKBZHD-HUBLWGQQSA-N 384.462 -0.991 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(=O)n1O 1847262994 RFLBMEVLABBQJN-KFBXHMBNSA-N 386.408 -0.241 30 20 GBED CCOc1cc(C#N)cc(Br)c1OCC(=O)NC(C(N)=O)C(N)=O 42039053 ILSBFJPMVGBELQ-UHFFFAOYSA-N 399.201 -0.446 30 20 GBED CN(C)C(=O)CN/C(=N/C[C@@H]1CCOC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 262330578 UWEUPTWCTXXSPK-HOTGVXAUSA-N 395.504 -0.620 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@@H](CO)C2)CC1 265776677 DIUIJAQVMVKMPU-OAHLLOKOSA-N 392.481 -0.295 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)c1 266276524 SXCIGFKFYVFNQU-DTDBQYNISA-N 395.419 -0.236 30 20 GBED C#CCOc1cccc(NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C)c1 277084268 JOXZKHFMTFDBFI-UHFFFAOYSA-N 382.442 -0.414 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 281815303 SGPSCPWGXOLJML-CHWSQXEVSA-N 378.462 -0.029 30 20 GBED Cn1[nH]cc2/c(=N\C(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)ccnc1-2 287509272 QQHGJFWNYJBYGZ-IWIPYMOSSA-N 390.407 -0.104 30 20 GBED CCCn1c(=O)/c(=C/c2ccnn2C)s/c1=C(/C#N)C(=O)N[C@@H](C)COC 298330869 YVZILWCBESDDNR-LNRJOEPRSA-N 389.481 -0.293 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CC(CC(N)=O)C1 349463477 YVDXZCIHQIWGDC-JTQLQIEISA-N 386.455 -0.627 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2CO)c1C#N 349520352 RBPFNPOGLZWKMA-LLVKDONJSA-N 391.475 -0.492 30 20 GBED CN(C)CC[C@](C)(O)CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 420032210 GHGYAKDQPHEQDZ-KRWDZBQOSA-N 382.486 -0.002 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@H](O)C[C@@H]3CO)n2)c(Cl)c1 442266996 KIUDHPKBEJIDTE-VXGBXAGGSA-N 389.799 0.290 30 20 GBED COCC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 461651555 XDHAPBOLOGJKHS-AWEZNQCLSA-N 383.426 -0.127 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCOCC 522275304 BTMPCVLYFVMTRP-UHFFFAOYSA-N 389.481 -0.291 30 20 GBED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@H]2CC[C@@H](CO)O2)n1 551544989 GXTNAXNKMWESNB-NEPJUHHUSA-N 387.371 0.478 30 20 GBED CCN(CC(N)=O)S(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)C#N)cc1 570985017 BIUIADQEWGZWRZ-UHFFFAOYSA-N 388.471 -0.237 30 20 GBED CO[C@@H]1COC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 575055363 PKMAUZGAZMIJPG-HUUCEWRRSA-N 394.453 -0.012 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 584877633 SJPKXSRBDNDBMN-KDOFPFPSSA-N 392.456 -0.030 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC[S@](C)=O)cc1 737292827 GTSDUHCUZWRBCO-DEOSSOPVSA-N 387.483 -0.074 30 20 GBED C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CN(C)CCO1 770237974 VNGMXUDANYRLFK-JSGCOSHPSA-N 380.470 -0.050 30 20 GBED CCN(CCC#N)C(=O)CN1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C 821207736 UCUKWRUCJSYFPW-CYBMUJFWSA-N 384.448 -0.071 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 823925426 KCQRIFSSIRXFNX-SECBINFHSA-N 376.425 -0.563 30 20 GBED COC(CN(CCCO)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)OC 843859245 OYTQNHMBDSPUBB-UHFFFAOYSA-N 385.442 -0.334 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)cc1 855472269 XVZDEMXEAGQGSD-ZIAGYGMSSA-N 386.451 -0.860 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCn3ncc(Br)c3C2)C1=O 856010306 GIRCOZSBVCMXOC-UHFFFAOYSA-N 396.201 -0.035 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 875599885 NCLKPVDBYOBEGI-JKSUJKDBSA-N 380.489 -0.410 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)c3cnnn3C)C[C@@H]21 960459598 ZDOKYAWGYNDZSR-SYAUCNOPSA-N 375.429 -0.152 30 20 GBED C[C@@H]1CN(C)C[C@H](C(=O)NC[C@]23CCC[C@H]2N(CC(=O)NCC#N)CC3)O1 1107448604 LMEMRFITCWNWJD-YKTARERQSA-N 377.489 -0.294 30 20 GBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@]12CCC[C@H]1N(CC(=O)NCC#N)CC2 1107550646 GRSMGUTWWYWEQF-NRTGNBEESA-N 375.473 -0.289 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN(C)C(C)=O 1108956962 FDMSSPDMEZTUFQ-ATGSNQNLSA-N 379.461 -0.414 30 20 GBED C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)CN1C(=O)CCC1=O 1110181282 ANXAGBFHDFMDDY-WCVJEAGWSA-N 379.457 -0.190 30 20 GBED CS(=O)(=O)N1CCC(CNC(=O)C(=O)NCc2cccc(C#N)c2)CC1 1117034267 PGWWMYGLANCCEG-UHFFFAOYSA-N 378.454 -0.038 30 20 GBED COC(=O)CN(C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1253863495 JCVPDKPBOKFVSZ-GFCCVEGCSA-N 382.442 -0.554 30 20 GBED C#Cc1cccc(Cn2nnnc2N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 1262440349 LTYAXPVBEXRZOT-UHFFFAOYSA-N 393.451 -0.026 30 20 GBED C=CCn1c(Cc2cnn(C)c2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 1262969140 ZSMJXVQLODGYEG-UHFFFAOYSA-N 394.505 -0.283 30 20 GBED COCCN(C(=O)C(=O)NCC#Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1321473855 VXJLBMHKROBOPZ-MRXNPFEDSA-N 378.450 -0.184 30 20 GBED CC(C)N(CCNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(C)C 1322735601 YTXSLGDLRPYZMG-NXVVXOECSA-N 379.461 -0.136 30 20 GBED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)N3CCC[C@@H](OCCO)C3)C2)nc1 1325176485 CVCFVPGJVOIPNY-CVEARBPZSA-N 388.424 -0.067 30 20 GBED C[C@H](Cn1cccn1)NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1325296099 GHDLEBVIQDWKFO-ZIAGYGMSSA-N 382.428 -0.213 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 1327403724 MACABOOYYYDSQK-UHFFFAOYSA-N 397.409 -0.099 30 20 GBED C=CCOCCNC(=O)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCNCC1 1329857808 YCFDERVHIIQKOD-CABCVRRESA-N 379.461 -0.948 30 20 GBED CC(C)N1CCC(N2CCN(C(=O)C(=O)N3CC[C@@](O)(CC#N)C3)CC2)CC1 1332371124 BFFAMOFKVZYBSC-FQEVSTJZSA-N 391.516 -0.120 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCc3nnnn3C3CC3)CC2)cc1 1346806649 DJNZIHBBLAAWMK-UHFFFAOYSA-N 394.439 -0.160 30 20 GBED CN(CCCNC(=O)C1CCC1)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1348616601 IUTKWDFYYKMUBC-MRXNPFEDSA-N 375.473 -0.050 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 1349082667 JGKMBJPWLWQZCJ-IMJJTQAJSA-N 379.457 -0.020 30 20 GBED C=CCCn1cc(C(=O)NC2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nn1 1573341727 PKQVLHUEAOWZOK-UHFFFAOYSA-N 382.388 -0.383 30 20 GBED C[C@H](C#N)C(=O)N1CC[C@@H](N2CCN(c3cncc(-c4nn[nH]n4)n3)CC2)C1 1573565759 VMXWTIANBPMIIY-CHWSQXEVSA-N 382.432 -0.461 30 20 GBED C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCN 1574485503 DHHLKZMJXIGRKW-KBPBESRZSA-N 384.506 -0.192 30 20 GBED C=C[C@@](C)(O)CC(=O)NCC[C@H]1CN(CCc2cnn[nH]2)CCS1(=O)=O 1575071775 BXNPTVFXWNLNTH-GOEBONIOSA-N 385.490 -0.720 30 20 GBED C=C[C@@H](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575077927 DIAANWFBGXOMHF-UGSOOPFHSA-N 392.460 -0.507 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@@H]2O)c1 1581863539 SYOFWNRQJUMQFC-OLZOCXBDSA-N 383.347 -0.420 30 20 GBED C#C[C@H](C)N(C)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1C[C@@H]1CCCO1 1588326894 XQNYDPJDNFICBR-RYUDHWBXSA-N 383.420 -0.265 30 20 GBED C#CCN1CCC(C(=O)N[C@H](C)[C@@H](C)N=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1588351597 AEVGOEJLOAMGNQ-CHWSQXEVSA-N 383.460 -0.271 30 20 GBED CC(C)(C)OC(=O)N1CCO[C@](C(=O)O)(C(=O)N[C@@H]2CCCN(O)C2=O)C1 1588693970 LZDDEFHCISPSNU-HWPZZCPQSA-N 387.389 -0.427 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cn3cccc(C(=O)O)c3n2)c1=O 1588891404 JXVWIYPJYGKRAE-UHFFFAOYSA-N 383.364 -0.062 30 20 GBED CS(=O)(=O)CCOCCNC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1591675395 VGCNRAIIYQCJBT-AWEZNQCLSA-N 392.441 -0.274 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1602721321 DVEXQRJYMHEHNB-HNNXBMFYSA-N 382.428 -0.423 30 20 GBED Cn1c(=O)[nH]c(N2CCN(CC(=O)Nc3ccccc3F)CC2)c(C#N)c1=O 1655346668 RTKCMJOGIBAXCJ-UHFFFAOYSA-N 386.387 -0.155 30 20 GBED CC(C)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010851 YXQDEYHJWRKZOF-DNVCBOLYSA-N 379.457 -0.024 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1783557827 RCZNHNSRSMTJEU-IBGZPJMESA-N 391.424 -0.693 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4ncccn4n3)[C@H]2C1 1788304791 SDPKFXLSVMNOLV-YDHLFZDLSA-N 397.391 -0.589 30 20 GBED CC(=O)O[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)C(C)C 1788479638 LHPHTHZSLKVYEY-XSWJXKHESA-N 394.424 -0.358 30 20 GBED CSCC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791308566 MFYYDBSEYJBJOS-XUXIUFHCSA-N 384.454 -0.832 30 20 GBED CS(=O)(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)CC1 1795081604 KPFCPVVYBFUBDE-MIFYACCESA-N 398.485 -0.839 30 20 GBED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)N2CCOCC2)C1 1797801696 WQQOYLSLEYOSJS-YYAJDYIMSA-N 379.457 -0.807 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)NC(=O)CS2 1800039438 UOBZNKHWWGGGLC-DRXBFXEBSA-N 386.433 -0.038 30 20 GBED CC(C)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)C(C)C 1800775855 KWHBWXVSRYOQCT-LTCOOKNTSA-N 379.457 -0.313 30 20 GBED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)C(=O)O)C2 1801167986 FIGAYQRMBIWLLM-XOIINTDNSA-N 393.440 -0.687 30 20 GBED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O 1801528745 OJXUJGOIIQEMAT-NEBZKDRISA-N 392.543 -0.035 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1829765126 HEAOCRDACRDEHJ-SFFCAUCYSA-N 390.440 -0.395 30 20 GBED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831208516 MMFPEQTUUABXMG-IFXJQAMLSA-N 377.441 -0.632 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1 1835763589 KSHBZQRNVGYMGM-DOXZYTNZSA-N 397.472 -0.282 30 20 GBED C[C@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837442145 QBNMPBWGNIQJNY-FWQQEFPFSA-N 395.504 -0.491 30 20 GBED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)n(C)n1 1838042117 NOACELUUCBSDTQ-SFHVURJKSA-N 375.429 -0.034 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CCC(N)=O)C1 1842879547 ONGPRYNTJYCNSP-ZDUSSCGKSA-N 378.477 -0.936 30 20 GBED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2 1846979749 ILQQRPWUNHIPGP-UHFFFAOYSA-N 381.396 -0.173 30 20 GBED Cc1ccc2c(c1)c(=O)n(C)c1nnc(Cn3c(=O)c(C#N)cn(C)c3=O)n21 134723511 DLAQJEJIUMQUHN-UHFFFAOYSA-N 377.364 -0.330 30 20 GBED C[C@@H](O)C(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 270786201 BFPUPHNWYMSGST-CHWSQXEVSA-N 394.453 -0.723 30 20 GBED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 271889123 VKIAUAOOLREAOF-LBPRGKRZSA-N 396.473 -0.012 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 289145156 FYOGNWHJRMGGEV-UHFFFAOYSA-N 393.469 -0.604 30 20 GBED N#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1 298034199 DVBRIUDUYUTHCE-UHFFFAOYSA-N 388.409 -0.247 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3CCNC(=O)[C@H]3C)CC2)c1C#N 298635131 KFYHEUQAYNMCHK-LLVKDONJSA-N 376.442 -0.681 30 20 GBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)N1CCN(C(=O)[C@H]2CCCO2)CC1 328731746 ITCFBBYSGJNKTR-ZIAGYGMSSA-N 388.490 -0.352 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)CO)c1C#N 349478464 SFDHFZXRBUSBID-SECBINFHSA-N 379.464 -0.636 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2COC[C@H]2O)CCCCC1 349535959 MLAJSKCMPZYLGG-CHWSQXEVSA-N 395.503 -0.799 30 20 GBED C=C(C)CN(C)C(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 410814620 RVEZGDZLIMZNNG-AWEZNQCLSA-N 375.491 -0.080 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@](O)(Cn3ccnn3)C2)n1 502216561 QZIQKKGFNQDTIC-QGZVFWFLSA-N 386.416 -0.081 30 20 GBED C=CCn1nnnc1SCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 505858490 FCIAQQPXJLATJJ-GFCCVEGCSA-N 386.503 -0.718 30 20 GBED COC(=O)CCOc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1 508343917 SKPPRMCAMVCAQU-UHFFFAOYSA-N 386.368 -0.153 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC(OCC(=O)N(C)C)C2)cc1 538090318 UAEUNXWSCXVXOB-UHFFFAOYSA-N 388.424 -0.144 30 20 GBED CN1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)[C@H](CN)C1 591582529 AWIMXVWWVNGXMB-QZTJIDSGSA-N 384.484 -0.676 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 592300068 VZIOQMXOZHAMND-LJQANCHMSA-N 385.424 -0.566 30 20 GBED N#Cc1cccc(CN2CCC(NC(=O)C(=O)NC[C@H]3CNC(=O)C3)CC2)c1 593931700 PNSKACNNKXRFQO-MRXNPFEDSA-N 383.452 -0.109 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CSc2nnnn2C2CCCC2)CC1 728533720 QEMTXEPBIGCLNV-UHFFFAOYSA-N 391.501 -0.226 30 20 GBED N#C[C@@H](C(=O)Cc1ccc2c(c1)OCCO2)C(=O)N1CCS(=O)(=O)CC1 732910652 SVXPDVGLAYZDBL-ZDUSSCGKSA-N 378.406 -0.034 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2c(C)oc(C)c2S(N)(=O)=O)CC1 733150800 VXUDEEQRDXWOHX-UHFFFAOYSA-N 396.469 -0.559 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 758068581 MRBCWCXGLTUZNU-UHFFFAOYSA-N 378.413 -0.328 30 20 GBED CC(C)[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(N)=O 767678278 YEPPTAHTFUSFBQ-GXFFZTMASA-N 396.425 -0.012 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](CO)Cc2cnn(C)c2)cc1 773437941 IDQDFGLYGXOAAG-HNNXBMFYSA-N 390.465 -0.087 30 20 GBED CNS(=O)(=O)CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 784570773 HQFSHISHRGMERH-WDEREUQCSA-N 375.451 -0.406 30 20 GBED C[C@@H](CC(=O)OCC(=O)NCC(=O)O)/N=C1/NS(=O)(=O)c2ccccc21 820088693 CQDXPQAXCFRXJG-VIFPVBQESA-N 383.382 -0.752 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(=O)n(C)o1 960311233 UUFLZYYWHVBOGQ-UKTARXLSSA-N 377.397 -0.379 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H](C)S(C)(=O)=O)nn1 996514219 NZJFRTROIIUBDY-NMKXLXIOSA-N 381.458 -0.241 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CC)n2)C1 1025099603 NLQSLWPXNFWPOY-MIGQKNRLSA-N 390.440 -0.454 30 20 GBED Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(C#N)n2)c(=O)n(C)c1=O 1055387502 CYQCYCLYLVAYJI-BNOWGMLFSA-N 381.396 -0.715 30 20 GBED C=CCOCC(=O)N1CC2(C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)CO2)C1 1068951810 PYQRDHQNOZJVIJ-QBYUYEEZSA-N 380.441 -0.273 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc2c(c1)C(=O)NC2=O 1111293016 QZPWXHYFPKBPEI-DFBGVHRSSA-N 381.392 -0.455 30 20 GBED CC(C)CN1CCC(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1117010497 QSGPNGQJRSZPMZ-MSUUIHNZSA-N 391.472 -0.134 30 20 GBED CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)NCc2cccc(OCC#N)c2)C1 1323020837 RWRRZAONUJLUSJ-AWEZNQCLSA-N 394.453 -0.255 30 20 GBED CN(C)[C@@]1(CNC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCSC1 1323184664 KNBHLXMTYNGWDI-TUQDCPSNSA-N 395.485 -0.818 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1cccc(-n2cncn2)c1 1323354044 HLJBHCFUURZVGW-UHFFFAOYSA-N 377.426 -0.400 30 20 GBED C[C@H](CCC#N)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C 1344887311 ZFUUKXQUTPWZBF-CQSZACIVSA-N 389.460 -0.270 30 20 GBED COc1cccc([S@](=O)CC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 1356118666 MYAXPFUOEHWAFH-HWRSSNJWSA-N 398.462 -0.231 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1cncn1 1360684277 MYDKRIZLMGCCLT-BXUZGUMPSA-N 397.440 -0.378 30 20 GBED N#Cc1ccc(NC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCO2)nn1 1571153384 QGMSPDAGWLKAJT-GFCCVEGCSA-N 380.372 -0.190 30 20 GBED C[C@@H](C#N)C(=O)N1CC2(CC[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)O2)C1 1573562304 SEHLXGZQCMVGJE-JQWIXIFHSA-N 384.400 -0.156 30 20 GBED C#CC[C@@H](COC)NC(=O)N1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 1588334542 ZSUAEHOESMFYNL-ZDUSSCGKSA-N 387.448 -0.221 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C[C@@H](C)N=c1cc[nH]c(-c2nn[nH]n2)n1 1588404466 HQNLWXNOLDJACK-DGCLKSJQSA-N 387.448 -0.192 30 20 GBED C=CCOCCNC(=O)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 1588682216 DRGMWKKLFMKZQD-UHFFFAOYSA-N 386.416 -0.771 30 20 GBED CN(c1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1591158811 VUVRTBTZMNIJKN-ZDUSSCGKSA-N 393.411 -0.160 30 20 GBED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(Cl)c(-c3nn[nH]n3)c2)n1 1592709482 HMADWYGLIKTAAX-UHFFFAOYSA-N 386.763 -0.262 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC(O)(C(N)=O)CC3)C2=O)cc1 1634918616 KUADKMQGSAQMIP-OAHLLOKOSA-N 385.424 -0.319 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1783557143 HOMVIAMMWWGHAR-QGZVFWFLSA-N 392.343 -0.686 30 20 GBED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCN4CCOCC4)C[C@@H]32)CC1 1786694660 ZSYKMNDUPWWEFT-ULQDDVLXSA-N 390.484 -0.008 30 20 GBED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 1786976514 MPKRGYJHFSKQIB-OBJOEFQTSA-N 399.411 -0.685 30 20 GBED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(O)O)C[C@@H]21 1792145542 OGSRNDPGRBZDON-DZKIICNBSA-N 389.408 -0.773 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSC(=N)N)C2 1792485586 NNZGYGIKPRYTJI-OAILTHCBSA-N 395.485 -0.939 30 20 GBED CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](S)C(C)C)C(=O)O 1793383252 OEXHYSHFNGBOMK-BUONHZGMSA-N 387.502 -0.407 30 20 GBED CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)ON=C(C)C)C2)C(=O)O 1795645592 NHAPEOYNOLCINJ-JAAXMTQOSA-N 398.460 -0.560 30 20 GBED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O 1800387520 VNHQZVCWUPCABZ-CRWXNKLISA-N 383.470 -0.297 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1800777503 VDEWFAWBLIKPLW-CCWDJLKJSA-N 388.420 -0.637 30 20 GBED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)C3)CCC1 1804114271 UVZPSACYWYJQNU-ZSBIGDGJSA-N 396.411 -0.242 30 20 GBED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1829855465 BLJGYRKBVUZCPA-CRAIPNDOSA-N 380.445 -0.339 30 20 GBED Cn1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c1=O 1831207976 DWVVJVONJAKUNY-OAQYLSRUSA-N 399.447 -0.131 30 20 GBED Cc1oncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834318411 GDRCXQGEEAQJJY-KRWDZBQOSA-N 377.353 -0.859 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1834760816 KZXWZHRDTKAPMM-SFHVURJKSA-N 384.396 -0.287 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1835999782 OXONXAQLMUYEMQ-LJQANCHMSA-N 375.425 -0.119 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839863788 HEWQZEPYDBGUHM-AUUYWEPGSA-N 397.472 -0.719 30 20 GBED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)NC)C2)C1)C(F)(F)F 1839891435 FLBQAUYPEAWKGS-OAHLLOKOSA-N 393.362 -0.303 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840194162 CKPIMRQHKJWHFZ-IAQYHMDHSA-N 392.499 -0.421 30 20 GBED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2cccc(S(N)(=O)=O)c2)c1 25962918 MEIJNMFRSNFUQZ-UHFFFAOYSA-N 390.377 -0.207 30 20 GBED C[C@@H]1C(=O)NCCN1CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 263928933 TYRZCMLKVSAUCI-GFCCVEGCSA-N 393.469 -0.084 30 20 GBED N#Cc1cccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 265619112 QJGXLIUKRHAWAA-LSDHHAIUSA-N 385.467 -0.666 30 20 GBED COC[C@](C)(C#N)NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 269565793 GVRDZDYDDXNJAZ-BZNIZROVSA-N 380.426 -0.268 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](NC(=O)OCC)C2)C1=O 297787331 JGYLHGKMLLGEBC-KGLIPLIRSA-N 380.445 -0.031 30 20 GBED CN1CC[C@@]2(CCN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)C2)C1 349504747 RHRJTUJOIZRELI-CQSZACIVSA-N 378.520 -0.481 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@H]4[C@H](N)CCC[C@H]4C3)CC2)c1C#N 423450086 SHJOEQINAXLFDL-USXIJHARSA-N 399.499 -0.165 30 20 GBED CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 441800069 JVGLMBXBVOWPBT-GFCCVEGCSA-N 396.329 0.518 30 20 GBED CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnc(OC)n2)c1=O 459831603 YYOTVRWDWCQABZ-UHFFFAOYSA-N 385.449 -0.100 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@H](O)C(F)(F)F 460571243 GHQBKKOTNIACHA-SNVBAGLBSA-N 382.302 0.425 30 20 GBED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)nc1 474353050 MGEVXYAXAUFYLS-AWEZNQCLSA-N 384.461 -0.052 30 20 GBED Cn1cc(CN2C[C@@H](F)C[C@H]2CNS(=O)(=O)N2CCO[C@H](C#N)C2)cn1 509255324 NPOTWTIBHUKLLA-SOUVJXGZSA-N 386.453 -0.609 30 20 GBED Cn1cc(S(=O)(=O)NCC(=O)N2CCN(c3cnccc3C#N)CC2)cn1 553355772 KWPLWEYQXABIBF-UHFFFAOYSA-N 389.441 -0.686 30 20 GBED CCN(C)C(=O)CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 565857683 JMXCEFKAARPJGD-UHFFFAOYSA-N 375.404 -0.060 30 20 GBED CN1CCCN(S(=O)(=O)CCCCS(=O)(=O)NC(C)(C)C#N)CC1 567408172 ZSSOBCKMKXLJJH-UHFFFAOYSA-N 380.536 -0.045 30 20 GBED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 568991706 VNXZRUNSLGYQPA-GFCCVEGCSA-N 381.366 -0.784 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 576829028 SRNDLYVJISPXFM-STQMWFEESA-N 393.473 -0.398 30 20 GBED COC(=O)CCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 579852373 KGXLNFZLLCSHTR-JTQLQIEISA-N 375.428 -0.282 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCO[C@@H](C(=O)O)C1 591569427 POPOFWXAJGGDNK-OAHLLOKOSA-N 375.381 -0.155 30 20 GBED C=C(CNS(=O)(=O)C[C@H]1CCOC1)CNS(=O)(=O)C[C@H]1CCOC1 660130153 VZIHCRFQALDQGH-KBPBESRZSA-N 382.504 -0.546 30 20 GBED C#CCNC(=O)CN1CCN(CCCN2C(=O)CS/C2=C\C(=O)O)CC1 736077162 YYXLQYRMRXFZHM-WJDWOHSUSA-N 380.470 -0.755 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 789110948 CCCRQCGGCSUTNE-MRXNPFEDSA-N 396.400 -0.843 30 20 GBED N#CCC1(O)CN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C1 801200921 DRGVUULWAIMUKW-UHFFFAOYSA-N 383.401 -0.053 30 20 GBED N#C[C@H](C(=O)c1cc(-c2nn[nH]n2)cs1)C(=O)N1CCS(=O)(=O)CC1 822801833 PFIXUZBRPASQLN-SECBINFHSA-N 380.411 -0.492 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](O)C[C@@H](C(=O)OC)C2)cc1 844112563 YYMKQKSDEBQJLP-KGLIPLIRSA-N 380.422 -0.406 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)OC[C@H]2C1 848958880 KMVFPJCFAHTXKY-NWDGAFQWSA-N 394.475 -0.936 30 20 GBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1cc([C@H]2CCCO2)[nH]n1 848967065 OATVZPRWVLNTTA-GFCCVEGCSA-N 376.460 -0.054 30 20 GBED C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)nn1 942100734 HKSIFJNTEAIJPS-KNCOVGOOSA-N 375.429 -0.154 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1043029210 SGXCURKUBIKPOZ-WCVJEAGWSA-N 379.457 -0.286 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC2CCOCC2)C[C@@H]1O 1083470427 RIAAXYYRLDSQOG-NCOADZHNSA-N 381.473 -0.576 30 20 GBED C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCNC(=O)C1 1109038271 OMBCFMHWNJQFQN-FZKCQIBNSA-N 378.473 -0.353 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NC 1111106974 CUPLDYUCNAEVTO-KBXIAJHMSA-N 379.461 -0.366 30 20 GBED C=CC[C@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1)c1ccncc1 1117155008 VXMUAQQBLHVDDN-HNNXBMFYSA-N 396.469 -0.407 30 20 GBED C=CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)n1 1130213097 UADBMNBIKPTIQA-RQJABVFESA-N 376.461 -0.016 30 20 GBED N#Cc1cccc(CNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1 1253033836 LJENUICNAVXHEB-UHFFFAOYSA-N 396.407 -0.132 30 20 GBED N#CC[C@@]1(O)CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 1261457861 AQRIBJJOGHJEJM-QGZVFWFLSA-N 380.470 -0.267 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)CC1 1327191843 ZWXXOXGMCGPQFB-UHFFFAOYSA-N 399.451 -0.155 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 1331244872 GCTZOCPNGORMNC-ZIAGYGMSSA-N 382.442 -0.001 30 20 GBED N#C[C@@H]1CN(c2nnc(CC3CC3)n2CCN2CCCS2(=O)=O)CCO1 1555996097 WOCACZYJIYKYET-CQSZACIVSA-N 380.474 -0.005 30 20 GBED C[C@H](C(=O)NCc1cnn[nH]1)N1CC[C@@]2(CCN(C(=O)CSCC#N)C2)C1 1575225010 UQGCMIPDONDTGD-CXAGYDPISA-N 391.501 -0.009 30 20 GBED COc1ccc(-c2nn[nH]n2)cc1CN1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 1579950360 TWQNZAHZOUQJHG-HZPDHXFCSA-N 382.424 -0.050 30 20 GBED N#Cc1ccc(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)[nH]1 1581867346 DSHJWBCUHAGISC-NSHDSACASA-N 380.372 -0.508 30 20 GBED C=CCn1cc(C(=O)N(C)C[C@@H](O)CN=c2cc[nH]cc2-c2nn[nH]n2)nn1 1588710989 GPCDPKMTASDJHN-NSHDSACASA-N 384.404 -0.994 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nc3)C[C@H]2OC)nn1 1602882648 QIFFZZZGMBWSDT-UKRRQHHQSA-N 396.415 -0.327 30 20 GBED Cn1c(=O)[nH]c(N2CCN(CC(=O)N3CCc4ccccc43)CC2)c(C#N)c1=O 1654985572 LHYNFZJQPQTDIZ-UHFFFAOYSA-N 394.435 -0.343 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)C1 1676815158 KYXSBGQGYNNUCB-MRXNPFEDSA-N 395.441 -0.015 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1778789608 FKCOGVKWWLZRFP-RWSFTLGLSA-N 375.447 -0.801 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(N)=O)C1 1781765038 CDEOZIDDCOPDFZ-QMTMVMCOSA-N 379.457 -0.196 30 20 GBED CCN(C)[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015694 YNKDEJHNTMYHGE-SPYBWZPUSA-N 379.457 -0.072 30 20 GBED Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)nn1C 1784242986 PBOHSHKYBJLNGV-BPUTZDHNSA-N 388.424 -0.661 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1784349325 AYERMSUUWRYCAD-BFUOFWGJSA-N 386.408 -0.568 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1784849451 KGAXEHIAAAARSM-NARAOEGZSA-N 390.484 -0.009 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NCCC 1793252595 ATGJXOXMTZKJFZ-GGXPGOJBSA-N 393.484 -0.079 30 20 GBED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](COC)NC(C)=O)C2 1793569140 UDJFRZKFJABPIF-CMZRPVNOSA-N 379.457 -0.186 30 20 GBED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N)[C@@H]1SC(=N)NC1=O 1795080989 HAMVIJXIWGEGKS-DQYMBCKPSA-N 379.442 -0.708 30 20 GBED O=C1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccccc2)C3)N1 1795389068 VSNFNGOCZAOXPU-AXVVYFOYSA-N 381.432 -0.094 30 20 GBED Cn1ncnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797738984 LTTQIBYXSWZVGO-VCRCSVMGSA-N 389.460 -0.510 30 20 GBED Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)S)c(=O)[nH]c1C 1800982533 LSLFTIPTSOUBLY-FVCCEPFGSA-N 380.470 -0.092 30 20 GBED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1829846096 NFRFFFKKVNRBCK-KXBFYZLASA-N 394.472 -0.093 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NN(C)C(=O)CC1)CCO2 1832381208 VSFXPBTXOBUBDI-SFHVURJKSA-N 378.429 -0.373 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1834756059 LEYAOSMDLOPNHT-LJQANCHMSA-N 392.456 -0.241 30 20 GBED CN(CC(=O)N1CCC(OC2CCN(C(=O)CC#N)CC2)CC1)C(=O)C(=O)O 1837636394 VMIYWDBRUGFRSB-UHFFFAOYSA-N 394.428 -0.558 30 20 GBED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)n1ccccc1=O 1837684890 XQSXCCSOZVTRLN-DNVCBOLYSA-N 388.424 -0.221 30 20 GBED Cc1n[nH]c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1837808103 FSBLHHZYWUKGBU-SFHVURJKSA-N 390.396 -0.815 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838339926 CNFJEUMQQSFPHS-GUYCJALGSA-N 381.454 -0.292 30 20 GBED NC(=O)CC[C@H](N)C(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2 1842880407 KAAYKUUWTGSVER-SLSPDHCBSA-N 375.429 -0.505 30 20 GBED N#CC1(NC(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)CCCCC1 22550584 AVBRABGDCYXYRS-UHFFFAOYSA-N 377.489 -0.195 30 20 GBED Cc1nc(S(=O)(=O)NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cn1C 68326885 JLPUVEKPZPHXCI-AWEZNQCLSA-N 382.490 -0.301 30 20 GBED Cn1cnc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 69094817 NYBMVDQCNGONJX-UHFFFAOYSA-N 395.466 -0.013 30 20 GBED C/N=C(/NCC1CCN(S(C)(=O)=O)CC1)N[C@H]1CCc2nc(C)nn2C1 261708834 VCGZMVLMKWVJLY-AWEZNQCLSA-N 383.522 -0.262 30 20 GBED CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)cc21 264395440 CXKWEASACUOENU-ZDUSSCGKSA-N 387.396 -0.154 30 20 GBED Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 265610890 OMSFJWXCPQTTBD-LSDHHAIUSA-N 399.494 -0.357 30 20 GBED C#CCOc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 265976423 XQQQCJMRBMDKNC-DLBZAZTESA-N 378.450 -0.074 30 20 GBED COCCNC(=O)/C(C#N)=c1/s/c(=C\c2cnn(C)c2)c(=O)n1C1CCC1 292450689 NUJGFAMJBPJYJX-VKDHKHAMSA-N 387.465 -0.366 30 20 GBED CS(=O)(=O)N1CCC(CN/C(O)=N/CCN2CCCS2(=O)=O)CC1 328674637 KASWRQGBYRXIPI-UHFFFAOYSA-N 382.508 -0.803 30 20 GBED COCc1nc2n(n1)C[C@H](N/C(O)=N/C[C@@H]1CC[C@H](C(=O)N(C)C)O1)CC2 329371678 KDRPOMRVJOFSSH-FRRDWIJNSA-N 380.449 -0.121 30 20 GBED CN1CCO[C@@H]2CN(/C(O)=N/CCS(=O)(=O)NC[C@@H]3CCCCO3)C[C@@H]21 329670272 RRLONLZJOFLHHY-SOUVJXGZSA-N 390.506 -0.596 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](CO)c2ccc(OC)cc2)C1=O 458252588 RXUYBJYTMPCHFB-ZDUSSCGKSA-N 375.381 -0.136 30 20 GBED COC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 473253555 IZHCYFOJEMDVJF-UHFFFAOYSA-N 394.453 -0.191 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](CO)c1cnn(C)c1 481778762 KWFFSBHNJBBLDM-IAQYHMDHSA-N 377.426 -0.192 30 20 GBED CN(C(=O)CN1CCN(C(=O)NCC(=O)NCC#N)CC1)C1CCCCC1 511904129 DKHKUNAEHQNMGF-UHFFFAOYSA-N 378.477 -0.256 30 20 GBED N#Cc1ncn(CCNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)n1 554296835 FMELTTBUACXMRQ-UHFFFAOYSA-N 399.383 -0.294 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cnn(C)c3C)CC2)c1C#N 558070906 HMIVQOVQDQNWRF-UHFFFAOYSA-N 384.444 -0.393 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@]3(CNC(=O)C3)C2)c1 564761198 DLQXHIUAKUWESA-KRWDZBQOSA-N 376.438 -0.035 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCC(CNS(C)(=O)=O)CC2)ncc1C#N 565188313 AOFOEGZEWXNXHL-UHFFFAOYSA-N 379.442 -0.012 30 20 GBED CN1CC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)NC3(C#N)CC3)cc2)C1=O 578549461 NYLHNKCNUYDEAO-CYBMUJFWSA-N 398.466 -0.470 30 20 GBED N#CC[C@]1(O)CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 591963311 HWPCIKXHZRQPAT-HNNXBMFYSA-N 397.413 -0.067 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)c1 657100626 STFAYIOFUQOZST-UONOGXRCSA-N 388.467 -0.307 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CC1 672355620 BRZWRZUODRXSNV-GOSISDBHSA-N 377.533 -0.009 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)NC)cc2)C1=O 685031179 XFPOFSRRQPTTME-AWEZNQCLSA-N 394.453 -0.222 30 20 GBED N#C[C@@H]1CN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCN1C1CC1 737678078 GIWYQYUILOPOGH-OAHLLOKOSA-N 380.412 -0.205 30 20 GBED N#C[C@H]1COCCN1CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O 737681209 AXBUWZOTSZYOBU-ZDUSSCGKSA-N 382.384 -0.187 30 20 GBED COC(=O)[C@]1(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCOC1 755737103 OEXPQQCAMRXMTI-INIZCTEOSA-N 381.410 -0.437 30 20 GBED C#CCNC(=S)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 758186572 YTWCFSSMFWHWNF-UHFFFAOYSA-N 378.479 -0.005 30 20 GBED COCCCS(=O)(=O)NCC(=O)OCC(=O)NC1(C#N)CCCCC1 770169800 ZGHVLBUSXZPFSU-UHFFFAOYSA-N 375.447 -0.172 30 20 GBED N#Cc1c2c(cn(CN3CCN(C(=O)C(=O)NC4CC4)CC3)c1=O)CCCC2 793487410 UUCFBURZFFVQCY-UHFFFAOYSA-N 383.452 -0.021 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)OCCn2cc(C(N)=O)nn2)c1 805944054 OSWVLPREGICZJO-UHFFFAOYSA-N 379.398 -0.302 30 20 GBED CC(C)C[C@H](CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(=O)O 818656873 MEZJTXJPIWWIND-CLMBFONXSA-N 380.401 -0.508 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 820125565 LCHBAMYAGVVGFE-GFCCVEGCSA-N 396.421 -0.193 30 20 GBED C=CCS(=O)(=O)CCNC(=O)COc1ccc(-c2nn[nH]n2)cc1OC 823932046 LSNMTQLJRCIWRL-UHFFFAOYSA-N 381.414 -0.029 30 20 GBED C#CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)OC 837931375 WXCLKGZCOZZUDM-OAHLLOKOSA-N 395.437 -0.053 30 20 GBED CCOC(=O)CON=C(C(=O)NCCN1C[C@H](C)OC[C@@H]1C)c1cc[nH]n1 855409403 DFSSFWSWSAVLJD-STQMWFEESA-N 381.433 -0.081 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(F)F)o2)CC1 872515268 KMBOIRAAMVZUTB-UHFFFAOYSA-N 383.398 -0.009 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 875599882 NCLKPVDBYOBEGI-CVEARBPZSA-N 380.489 -0.410 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCOC 916198737 UYPCAIFRQYEWMX-UHFFFAOYSA-N 388.449 -0.783 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@H]2OC)nc1 944090627 BDRNVYNYNTZFCH-YALNPMBYSA-N 384.436 -0.080 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)C[C@H]1O 1023961689 IASFGTDJBARVSI-MIGQKNRLSA-N 388.424 -0.537 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOC)c2)C1 1025071041 IEJGJXRPQNSVJO-HZMVEIRTSA-N 392.456 -0.188 30 20 GBED Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2Nc2cnc(C#N)cn2)c1 1052702037 DSALBLUBWDJOGO-UKTARXLSSA-N 380.412 -0.390 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C[C@H]2C1 1055337690 FJMDFXVITQTABD-MCEUPANISA-N 376.453 -0.007 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1O 1077019001 HWFQFAHZBMCXNQ-FPCVCCKLSA-N 387.502 -0.836 30 20 GBED N#Cc1nc(=NCCCOCCNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)cc[nH]1 1115470741 LHSGKJQORGQWCM-GRDNDAEWSA-N 375.429 -0.244 30 20 GBED N#CCc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 1116705709 QZLOQGAQTYALKG-HZPDHXFCSA-N 399.494 -0.471 30 20 GBED CS(=O)(=O)CCCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1117072725 CELIUPGICXLLCU-MRXNPFEDSA-N 392.481 -0.226 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C 1117550133 RUNISBJJISVTJG-KEYYUXOJSA-N 397.483 -0.016 30 20 GBED CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 1118766679 MPFKLCAFGAFCEE-TZMCWYRMSA-N 385.428 -0.878 30 20 GBED Cn1cc([C@H]2CN(CC(=O)NCCC#N)CCN2CC(=O)NCCC#N)cn1 1320043141 ISRZCUIFAVLVRM-MRXNPFEDSA-N 386.460 -0.861 30 20 GBED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O 1322266301 ZORQUTCWXLPFBO-CXAGYDPISA-N 390.421 -0.371 30 20 GBED C#CCCCCNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 1322968226 GNNIZRQYMFWWTH-UHFFFAOYSA-N 382.442 -0.432 30 20 GBED COC(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1323419627 INPKAXZXLCVCKH-AKCBPTIMSA-N 378.385 -0.817 30 20 GBED CC(C)CS(=O)(=O)N1CCC(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1323765596 LZQIWMFRTSJQLD-AWEZNQCLSA-N 386.474 -0.696 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2CC[C@H](NC(N)=O)C2)CC1 1326911212 BMIFIIIKTPAOPT-LBPRGKRZSA-N 388.403 -0.385 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)NCC1CCN(S(=O)(=O)CC)CC1 1328995428 CAEYKKHQCKGJKT-UHFFFAOYSA-N 387.502 -0.337 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](Cc2ccncc2)C(=O)OC)C1=O 1338843518 HVCYBJCVPIQCTQ-ZDUSSCGKSA-N 388.380 -0.494 30 20 GBED CC#CCn1nnnc1N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 1344538878 AEFPAIPFVHIBOU-ZIAGYGMSSA-N 383.478 -0.828 30 20 GBED C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O 1573309352 HIXQPZLKOQWJMG-XNJGSVPQSA-N 388.432 -0.449 30 20 GBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1577718141 XEJYPMJYTZHUQW-PMPSAXMXSA-N 382.428 -0.598 30 20 GBED N#Cc1cc(C(=O)NC[C@H]2CN(c3cnc(-c4nn[nH]n4)cn3)CCO2)c[nH]1 1581865220 FVXRIKYXDXQHSS-LBPRGKRZSA-N 380.372 -0.508 30 20 GBED C=CCCO[C@@H](C)C(=O)NC[C@H]1CN(c2ccc(-c3nn[nH]n3)nn2)CCO1 1588608575 OJMQXSRWUIWZGC-STQMWFEESA-N 388.432 -0.041 30 20 GBED C=CCNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1588659985 UVOVCPAEVJCUCO-YPMHNXCESA-N 388.432 -0.684 30 20 GBED CN(CCc1cccc(-c2nn[nH]n2)c1)S(=O)(=O)N1CCO[C@H](C#N)C1 1591121586 WCLTVRRONOPGJE-CQSZACIVSA-N 377.430 -0.190 30 20 GBED N#CCSCC(=O)N1CCC(O)(CNc2nccnc2-c2nn[nH]n2)CC1 1592680785 ZJPYYDJVDIJTMR-UHFFFAOYSA-N 389.445 -0.321 30 20 GBED Cc1nn(C)c(N2CCN(S(=O)(=O)N3CCC[C@H]3C(=O)O)CC2)c1C#N 1594483069 AJQZGSOLLAJFHT-ZDUSSCGKSA-N 382.446 -0.484 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1602756379 MELOYWOCVUFXDT-OLZOCXBDSA-N 385.432 -0.438 30 20 GBED C=CCNC(=O)CN1CCN(CC(=O)Nc2nc(CC(=O)O)cs2)CC1 1602901723 UBVDFYVOXNGLDU-UHFFFAOYSA-N 381.458 -0.372 30 20 GBED COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1619919556 ZNJAMXVJSGTNSX-CHWSQXEVSA-N 386.478 -0.004 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N(C)C 1761502958 VDJLMIGJLBTVAH-NEPJUHHUSA-N 399.477 -0.905 30 20 GBED CC(=O)N(CC(=O)O)C[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CCO1 1776202740 YQOOBZUUJDOLLD-NSHDSACASA-N 387.439 -0.058 30 20 GBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1777867762 UOBMCSSLBFNFEL-FQEVSTJZSA-N 382.420 -0.046 30 20 GBED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1779064236 BRJUPECNCVMBNM-IBGZPJMESA-N 387.440 -0.053 30 20 GBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1781694354 RVKIKIVAVOFXEJ-FZKQIMNGSA-N 384.396 -0.822 30 20 GBED NC[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1783562151 FZYDWMGPHLGLBE-OXJNMPFZSA-N 385.420 -0.353 30 20 GBED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)n1cccc1C=O 1783562687 OBHSDLRJMOTERE-IFXJQAMLSA-N 387.392 -0.221 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC)NC(C)=O)[C@H]2C1 1783578225 QIXOFQQFBUBUFE-FUJDEKNSSA-N 393.484 -0.081 30 20 GBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)CCO2 1783914215 LXYYBUIPNNNMMS-QGZVFWFLSA-N 394.453 -0.142 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4cccnc34)[C@H]2C1 1788292688 ROGFKMAXQVLDCK-QEJZJMRPSA-N 397.391 -0.589 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2 1797706470 ASXMWVRWAWFKQH-NDKCEZKHSA-N 381.429 -0.743 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCCC3=O)sc2C1 1814601772 SZNYLOCXCBNIOD-SNVBAGLBSA-N 390.421 -0.235 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1830054116 FUTSOXHVBKYIPI-GOSISDBHSA-N 389.412 -0.198 30 20 GBED Cc1nccn1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835346520 FGNALWXXSFNTAF-LJQANCHMSA-N 387.440 -0.048 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnc[nH]4)C3)C2)c1 1838736261 ULNKUPMOHLYIDU-LJQANCHMSA-N 398.423 -0.078 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3[C@H]4SC=C[C@H]43)C2)C1 1840044769 WRBZCYNVKXUUBD-OBZJAWTPSA-N 392.433 -0.594 30 20 GBED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)OC)CCO2 1840322679 QRFOZDDFEQWWJZ-LJQANCHMSA-N 395.456 -0.008 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@H](O)NC(=O)OCC)C1 1844159000 DLVCOSSELQGHCN-AWEZNQCLSA-N 397.428 -0.236 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1=O 7020613 FCMQKXLGARYPBJ-UHFFFAOYSA-N 380.307 -0.004 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)N2CCNC2=O)CC1 16635236 YFGCBQDWOOMXCS-UHFFFAOYSA-N 377.426 -0.584 30 20 GBED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CC 255068452 NXNDWFSAWKLJRV-UHFFFAOYSA-N 389.481 -0.291 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)NCCCN2CCNC(=O)C2)cc1 269943531 SLENFINBCWVAAI-UHFFFAOYSA-N 380.470 -0.297 30 20 GBED CC[C@]1(C)NC(=O)N(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1=O 278755229 MJNKBYVUNOLHBG-HWPZZCPQSA-N 393.425 -0.023 30 20 GBED CC(C)(C#N)CNS(=O)(=O)CCCS(=O)(=O)Nc1ccc(O)nn1 349556014 VXETUMKQBHYXGJ-UHFFFAOYSA-N 377.448 -0.217 30 20 GBED CCOC(=O)c1c(NC(=O)N2CCO[C@@H](C(N)=O)C2)c(C#N)cn1CCOC 364097482 BFUDCCWAOURTPA-GFCCVEGCSA-N 393.400 -0.099 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1=O 410119238 XIYWJQICHSBOJN-CQSZACIVSA-N 379.438 -0.196 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C[C@H](CO)O1 410586008 CDLNFCFKQBWGHT-KBAYOESNSA-N 386.452 -0.169 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@H]3CNC(=O)C3)C2=O)cc1 422390988 STERCTGFYSMSEK-UKRRQHHQSA-N 383.408 -0.578 30 20 GBED N#Cc1cccc(NC(=O)CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 436225434 SJBCXUJKDHNUQB-UHFFFAOYSA-N 383.408 -0.210 30 20 GBED C=C(C)CN1CCC(NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC1 468850041 GSWMOMZRFZOZRX-UHFFFAOYSA-N 388.534 -0.023 30 20 GBED COc1c(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(C)nn1C 480608991 IRKBDPMTFTYFBT-UHFFFAOYSA-N 397.439 -0.031 30 20 GBED C=CCOC[C@@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)OC 481607600 KQRGTQCHQWDQGT-GFCCVEGCSA-N 383.426 -0.101 30 20 GBED CN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 494536817 OXRVIKOHSJXFTL-CQSZACIVSA-N 376.438 -0.131 30 20 GBED COC[C@](C)(O)CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 565229599 SZIQVNFDVFLTIB-CQSZACIVSA-N 391.471 -0.446 30 20 GBED CN(C)C(=O)NCCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 567249514 JAOFHJGHKXBSBQ-UHFFFAOYSA-N 389.459 -0.962 30 20 GBED C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 575911363 AWVPJGLMSBTFNZ-CYBMUJFWSA-N 383.412 -0.086 30 20 GBED CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 599730530 CQJBRVGWRUNFDP-UHFFFAOYSA-N 391.476 0.064 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2C[C@@H](O)C2)c1C#N 600766940 OGTKDPBJGIQINA-PHIMTYICSA-N 391.475 -0.588 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(=O)n(CC)c(O)nc3c2)CC1 728531758 PECXDPHNZVBPQC-UHFFFAOYSA-N 397.435 -0.371 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2CS(=O)(=O)NC)cc1 749511599 MPYNMNAGCKECIZ-AWEZNQCLSA-N 399.494 -0.248 30 20 GBED COC1CCN(CCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 751058367 FCAMUUGNKRKIQT-UHFFFAOYSA-N 380.470 -0.048 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CCOC 782246724 ZSHQGKIEVLYILE-UHFFFAOYSA-N 394.434 -0.225 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCC[S@](=O)C(C)(C)C 806191060 JTTNVKFSUYCSPJ-SANMLTNESA-N 382.490 -0.082 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2F)CC1 819701863 OOHDKFLEIRVMAT-UHFFFAOYSA-N 399.386 -0.068 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](C)NC(=O)C2CCCC2)CC1 831561482 XIIOHFQUXFTLAI-CQSZACIVSA-N 384.502 -0.317 30 20 GBED C#CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 839214147 PXMFCWNZDWMATP-UHFFFAOYSA-N 385.392 -0.111 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC2(C(N)=O)CC2)cc1 848942086 WCQCSAQLAQRWTK-UHFFFAOYSA-N 396.450 -0.870 30 20 GBED C#C[C@H](C)NS(=O)(=O)CCCCS(=O)(=O)N1CCSC[C@@H]1C#N 848967723 GBGSDJIOCICEOB-STQMWFEESA-N 379.529 -0.022 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 898141008 VWSFRKWYURHGHL-ROUUACIJSA-N 394.516 -0.556 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)COc1cnn(C)c1 960849151 NBEVMPKMEFPYHT-LTIDMASMSA-N 390.440 -0.172 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cccnc2C(N)=O)C1 965187640 LOCUVSHPPBUQHN-RZFFKMDDSA-N 388.424 -0.537 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc(OCC)cn2)C1 968504005 LIAHNCHIGGGSHY-RZFFKMDDSA-N 376.413 -0.232 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@H]1O 1023942184 OQIOCVYCGPAFOZ-SHFYGJNESA-N 390.440 -0.304 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 1025722148 QZXRZHWGEKQWOR-CRNXPOROSA-N 390.440 -0.547 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(c2ncc(C(=O)OC)cn2)C[C@H]1O 1041393267 YFHMBODDSNDPQV-TUVASFSCSA-N 376.413 -0.090 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(c2cncc(C(=O)N(C)C)n2)C[C@@H]1O 1044671370 WUFJSTXCZPQZFH-OJLVUWQFSA-N 389.456 -0.175 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1n1ccnn1 1069929705 LWEJHUGYJAZTHK-KBXIAJHMSA-N 387.448 -0.676 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCC(N)=O 1110196906 APISCZXHGWXMNJ-MQYQWHSLSA-N 379.461 -0.236 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[nH]1 1111106041 XWQBQUBHQKTCRJ-TUVASFSCSA-N 376.461 -0.199 30 20 GBED Cn1ccc(N2CCC[C@H](NC(=O)C(=O)NC3CCN(CC#N)CC3)C2=O)n1 1117326732 NDCTUFZUXGRHED-AWEZNQCLSA-N 387.444 -0.864 30 20 GBED CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@](O)(CC#N)C3)CC2)nn1 1118526090 UTHZIOJCXWSXSW-GOSISDBHSA-N 388.428 -0.599 30 20 GBED C=CCNC(=O)NC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1147932358 WCRSYSYFOAIHHW-NMNMXBMNSA-N 388.468 -0.044 30 20 GBED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1297312542 YBYZOSRPUCXTRR-CYBMUJFWSA-N 399.473 -0.517 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)CN2CCCC2=O)cc1 1319572076 GKJXRQMXMBXEOA-AWEZNQCLSA-N 381.454 -0.136 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(c2ncc(F)cn2)CC1 1321070376 NPVLZLPEIZYJMP-PFONDFGASA-N 389.391 -0.026 30 20 GBED CCNS(=O)(=O)CCNC(=O)C(=O)NCCSCc1ccccc1C#N 1321922525 XJRZVOZKIHUUHZ-UHFFFAOYSA-N 398.510 -0.037 30 20 GBED CNS(=O)(=O)c1csc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 1323530526 SJBTUKKVCBQTBK-OWBHPGMISA-N 384.439 -0.088 30 20 GBED CC(C)(C)[C@@H]1CN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCO1 1324578631 SXVMPHSSFXIKCQ-NPIURYIMSA-N 378.429 -0.098 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(CCC(=O)OC)C[C@H]2C)nn1 1325946614 HQOSJIBXBRUQNQ-CYBMUJFWSA-N 378.433 -0.824 30 20 GBED C[C@@]1(CCCO)CCCN1C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1328817991 UTPQAIQYVGSTPR-JJJPLKNQSA-N 378.429 -0.217 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)nn1 1345682849 GRAOLALVGYVEPJ-MRXNPFEDSA-N 377.493 -0.532 30 20 GBED CN1CCN(C[C@@H](NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)c2ccccc2)CC1 1345839984 KWZNDDQAAPDVJO-WIYYLYMNSA-N 399.495 -0.032 30 20 GBED N#Cc1cnn2cc(CN[C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)cnc12 1349410446 VKSOCPOZSHZZPV-LSDHHAIUSA-N 376.442 -0.812 30 20 GBED C[C@H](OCc1cnn[nH]1)C(=O)NC1(CCO)CN(C(=O)c2cc(C#N)c[nH]2)C1 1575845813 YQJBOEMKJIUGJO-NSHDSACASA-N 387.400 -0.697 30 20 GBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)c1ccc(-c2cnn[nH]2)cc1 1577030012 WNUNXSSQCJDIQZ-HZPDHXFCSA-N 383.412 -0.460 30 20 GBED N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCCn2cc(-c3nn[nH]n3)c(O)nc2=O)c1 1581875542 CZBKIGFULNYPNU-QWHCGFSZSA-N 392.379 -0.079 30 20 GBED N#Cc1cccnc1N1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1581876065 DICAVAAIZJRCFZ-KRWDZBQOSA-N 379.384 -0.167 30 20 GBED N#Cc1cnc(N2C[C@H]3C(CNC(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@@H]3C2)cn1 1581877636 BYPXWSHLQLJHDJ-STQMWFEESA-N 376.384 -0.031 30 20 GBED C#CC[C@@H](COC)NC(=O)C(=O)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 1588331911 SRKAMVVJUSNUKW-ZDUSSCGKSA-N 398.427 -0.935 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588351490 WVJLVGTWOJOCBC-YDHLFZDLSA-N 382.428 -0.331 30 20 GBED C#CCNC(=O)CN1CC[C@@H](N(CCC)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353876 ACPISGICTFHOOR-CQSZACIVSA-N 384.444 -0.129 30 20 GBED C#Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cc1 1588366767 AQAZPLPWPSUOEP-CQSZACIVSA-N 379.380 -0.303 30 20 GBED C=C(C)[C@H](CC(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O)OCC 1588401895 ZOKLAWTYHCYSKV-MCIONIFRSA-N 388.432 -0.306 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nn[nH]n1 1588499559 JWKBFNRYSXSAJH-SJKOYZFVSA-N 375.433 -0.156 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588665106 FKNMERVAWCPWON-QWRGUYRKSA-N 377.405 -0.665 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)O)cc1 1588843642 CKQSDHBDJHTLTK-UONOGXRCSA-N 375.381 -0.023 30 20 GBED C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCC(=O)O)cc2)CC1 1588844307 GVSOKEPSUKPKJS-UHFFFAOYSA-N 397.453 -0.242 30 20 GBED C#CCN1CCC(C(=O)N[C@H](C)CCN=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1602718541 XLWCYSVNGKNYLF-CYBMUJFWSA-N 383.460 -0.270 30 20 GBED N#C[C@]12CN(S(=O)(=O)C3CCC(C(=O)O)CC3)C[C@H]1CS(=O)(=O)C2 1608191981 RRPFAUNYDYNUBI-BOLFBJMRSA-N 376.456 -0.170 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 1609058676 NUYMHALYTPDFLT-LBPRGKRZSA-N 385.432 -0.216 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(O)CCOC1 1723930182 WMRINVUDYZJQHH-MLGOLLRUSA-N 398.489 -0.220 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](NC)C(=O)O)C[C@@H]21 1784479491 DAJWPQRQSXADNB-GVRJEKJASA-N 395.456 -0.933 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]21 1784501684 ZURPPHSPFSRURZ-GVRJEKJASA-N 379.457 -0.164 30 20 GBED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)CN4CC(=O)NC4=O)CCO3)C2)CCC1 1785362913 MLPJUZYXIVHDCQ-GOSISDBHSA-N 389.412 -0.938 30 20 GBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]2C1 1791286852 MLCGZBYVRRRYKH-XMDUPGNXSA-N 380.441 -0.005 30 20 GBED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2 1795274449 CAEUBANIGDZMOJ-DFGXFYAUSA-N 383.404 -0.264 30 20 GBED CN(C)C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1795463755 BDHAAJSAIUGENF-UEKHYVPVSA-N 379.461 -0.864 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1OCC2 1796797343 UDLSUTIMFFSCKW-ZSBFGKGUSA-N 384.388 -0.087 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCC(=O)O 1801020291 FBYOAXXIXQDSHP-JFILPPLUSA-N 386.470 -0.015 30 20 GBED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1801163976 LOTHOHBWZRYZFV-KRXQYRFLSA-N 378.473 -0.638 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806815729 CADMFNQSUWYYPJ-HBUWYVDXSA-N 384.392 -0.546 30 20 GBED CN(CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CC#N)n[nH]1)C(=O)C(=O)O 1816746691 JNPJCYITEROLGQ-NSHDSACASA-N 376.373 -0.142 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(OC)OC)C2)C1 1831388386 RYZUEIPOHUXEAV-KBXCAEBGSA-N 384.429 -0.900 30 20 GBED COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1833864124 DHKCMRVXMYUPOH-SJCJKPOMSA-N 398.485 -0.183 30 20 GBED COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1834847984 DHSGDGAXESFGGG-GOSISDBHSA-N 381.429 -0.054 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)NC(=O)OCC)CCO2 1837211023 DLNKHZLWJLUWLN-YOEHRIQHSA-N 385.417 -0.917 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1841599645 DDQNQGCKFIOUDH-GFCCVEGCSA-N 384.396 -0.727 30 20 GBED C=CCC(F)(F)C(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2 1846012688 CLWASHATXNAZBW-UHFFFAOYSA-N 375.416 -0.312 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O 1848029855 KETANJJUNGHYAA-STQMWFEESA-N 390.444 -0.978 30 20 GBED COc1cc(OC)c(CNC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)c(OC)c1 270558722 ITPQRKHIVIQQJA-UHFFFAOYSA-N 388.380 -0.239 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(S(C)(=O)=O)cc2)C1=O 284120803 NKPPRXLHAXPMOB-HNNXBMFYSA-N 393.465 -0.048 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(CO)C2)c1C#N 349600817 MXEWAOWHYZCUGP-UHFFFAOYSA-N 391.475 -0.634 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN2C(=O)OC[C@@H]2C1 366301431 XOAWPDWNXLTRDB-YPMHNXCESA-N 378.410 -0.112 30 20 GBED Cn1c(N)c(C(=O)CN2CCO[C@@H](c3cccc(C#N)c3)C2)c(=O)n(C)c1=O 371291633 KOEMKJNXZLWUGA-OAHLLOKOSA-N 383.408 -0.206 30 20 GBED CCNS(=O)(=O)c1cccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)c1 416533007 YUYJYHKTVDGRBX-CYBMUJFWSA-N 388.471 -0.456 30 20 GBED COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 437720238 NHACLBRQOKBPBB-KBPBESRZSA-N 390.444 0.125 30 20 GBED COC(=O)c1cc(NC(=O)C(=O)NCC(=O)NCC#N)ccc1Br 508992919 AIMFDECDQDBSPF-UHFFFAOYSA-N 397.185 -0.070 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]3CCO)CC2)c1C#N 521989928 HQPBIQMNZDUWMB-GDBMZVCRSA-N 388.472 -0.084 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(c3cnccn3)CC2)c1 550072536 IYRMTVZHQPAANA-UHFFFAOYSA-N 386.437 -0.025 30 20 GBED CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 594538949 DILWCANOBOOCRH-WDEREUQCSA-N 388.471 -0.320 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 597376249 RYVIOGQNGDSLNP-QWHCGFSZSA-N 393.473 -0.699 30 20 GBED Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)c1 608911465 GUNZUXXUYUPVKQ-UHFFFAOYSA-N 396.472 -0.171 30 20 GBED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(CC#N)CC1 610397023 LKLIZHBUFYQCGA-UHFFFAOYSA-N 381.458 -0.673 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N1CCNC1=O 767677799 BAULMXWSTAROMC-JTQLQIEISA-N 380.382 -0.680 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 786994605 DNZNBCKKBHCCJF-AWEZNQCLSA-N 396.444 -0.745 30 20 GBED C=CCN1CC[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C1=O 798637574 WLTDRKRIGOBUST-BXUZGUMPSA-N 395.437 -0.218 30 20 GBED CCOC(=O)N1CCC(S(=O)(=O)NC(=O)[C@@H](C)n2cnc(C#N)n2)CC1 802995102 DFDFLDCKIQRHKN-SNVBAGLBSA-N 384.418 -0.222 30 20 GBED CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(C#N)cc1C(=O)OC 845856753 RKINWSMUVJUREL-UHFFFAOYSA-N 375.428 -0.438 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H]1COC[C@H]1n1ccnn1 847988520 FXXUNTRXZMSMRM-KCPJHIHWSA-N 391.409 0.000 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)OC)cc1 848638255 DMUHPJDIIAIBDU-LBPRGKRZSA-N 399.450 -0.326 30 20 GBED C#CCOCCNC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 853982996 UWQQNEYQJZFRQK-UHFFFAOYSA-N 380.470 -0.002 30 20 GBED C=CCn1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1 958973439 SPULHBGBUYTQCD-WOOFSFRISA-N 375.429 -0.325 30 20 GBED C#CCN1CCC(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCN(C)[C@@H]3C)C2)CC1 964635843 FZNODKSVACAFCU-DDBAPUKQSA-N 376.501 -0.640 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C[C@@H]2O)c1 970414311 LNZRLDBJLVREPF-KONPQCLYSA-N 379.420 -0.098 30 20 GBED C[C@@]1(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC(=O)N1 1118079245 ATYIVQVZUUTDIU-YWZLYKJASA-N 397.435 -0.045 30 20 GBED N#Cc1cnc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c(Cl)c1 1320963619 UFRBIIQKEGQZER-QWHCGFSZSA-N 384.845 -0.478 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@]4(CN)C3)CC2)c1C#N 1326886246 WNVRQGLBHQYBQN-YWZLYKJASA-N 399.499 -0.164 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC1CCN([C@H]2CCC[C@H]2O)CC1 1329484978 WMWJBMRMEJFGIG-LSDHHAIUSA-N 387.502 -0.803 30 20 GBED C#CC1CCN(C(=O)C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)CC1 1332173256 HCRFSUPNIBOOBS-UHFFFAOYSA-N 379.438 -0.297 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 1342228897 NJRWBXCQQUPRLB-LBPRGKRZSA-N 381.410 -0.175 30 20 GBED CN(CCC(=O)OC(C)(C)C)C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1346277452 PHEPYYYCKQBEGD-CCEZHUSRSA-N 394.428 -0.181 30 20 GBED Cn1c(CC(C)(C)C#N)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1348338620 MFTISYPKDKMVOS-UHFFFAOYSA-N 389.460 -0.585 30 20 GBED COCCN(C)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1504854378 KQRRWRFIZCMTST-CQSZACIVSA-N 379.465 -0.277 30 20 GBED C#CCNC(=O)CC(=O)NC[C@@]1(C)CCN(C(=O)[C@H](C)OCc2cnn[nH]2)C1 1575004328 DKMIKLJLCKBNAS-SCLBCKFNSA-N 390.444 -0.796 30 20 GBED Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c1-c1nn[nH]n1 1581681634 VVNBIWWKDONFKK-GHMZBOCLSA-N 385.413 -0.189 30 20 GBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1(C)C 1588353172 JHUYXGNTESTVLO-BXUZGUMPSA-N 384.444 -0.227 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnc(C)c(C(=O)O)c2)CC1 1588485098 AWRGGDUAJHNVNZ-UHFFFAOYSA-N 381.414 -0.295 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nn[nH]n1 1588499558 JWKBFNRYSXSAJH-SJCJKPOMSA-N 375.433 -0.156 30 20 GBED C=CCNC(=O)CN[C@@H](C)[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1588660118 WIBLILLIOBHYQX-SMDDNHRTSA-N 388.432 -0.684 30 20 GBED C[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1CNCC(=O)NCC#N 1590262087 VARNTRXFBSWCQQ-FZMZJTMJSA-N 385.432 -0.335 30 20 GBED CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)N1CCO[C@@H](C#N)C1 1622617829 SBXIDKMERFQENV-YNEHKIRRSA-N 390.462 -0.321 30 20 GBED CC(=O)N(CC(=O)O)C[C@H]1CN(S(=O)(=O)N(C)[C@@H](C)CC#N)CCO1 1776202069 XLOUSHCHPOJOOP-AAEUAGOBSA-N 376.435 -0.901 30 20 GBED CCN(CCC#N)S(=O)(=O)N1CCO[C@@H](CN(CC(=O)O)C(C)=O)C1 1776863615 KHNHBGPWXCGGQY-ZDUSSCGKSA-N 376.435 -0.899 30 20 GBED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)cc1 1778938706 FHUPTMMVSQTWDQ-IBGZPJMESA-N 381.392 -0.122 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)CC1 1782956362 ACVVPKMEHUTXAC-CXAGYDPISA-N 381.454 -0.303 30 20 GBED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1783890613 SWIQVKRIKHCYBB-QAPCUYQASA-N 384.546 -0.228 30 20 GBED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1783895780 TXYFQCXTTUPHKC-HUBLWGQQSA-N 376.500 -0.288 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)NC)C[C@@H]21 1788570510 XDJXGBCSLJWMCQ-ZQDZILKHSA-N 381.473 -0.325 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cccc([N+](=O)[O-])c3=O)[C@H]2C1 1790655123 NBAGXQRZQWZCBX-YDHLFZDLSA-N 388.380 -0.631 30 20 GBED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1)N1CCN(C)CC1 1793261511 PPGINQIOFMKNPX-BOLBYERCSA-N 388.512 -0.375 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(C)=O 1795138087 JEWMBABDIXUEFW-GZHYHUHOSA-N 377.441 -0.196 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801734101 AOOMAXCJRAXGME-NXOAAHMSSA-N 398.504 -0.288 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1831391360 NYDDEEQXYYXAHR-RDTXWAMCSA-N 376.413 -0.482 30 20 GBED C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1)n1cnnn1 1831672928 VDWXQUNMVYGXMA-DZGCQCFKSA-N 388.428 -0.058 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833876109 GLUASLBAIINVGG-UGSOOPFHSA-N 395.481 -0.226 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1834755978 GNDSKPYLRGENPA-MRXNPFEDSA-N 392.372 -0.839 30 20 GBED Cn1cc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cn1 1834758247 ITVGPKNMMRJSFP-SFHVURJKSA-N 375.429 -0.277 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCOC)CCO2 1835224348 AUUZLUUJTHLVHG-PHWHVTFISA-N 395.456 -0.662 30 20 GBED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)nn1C 1838833401 SLCKNPAEGFTBMP-GOSISDBHSA-N 391.428 -0.198 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1839808522 TUFCWCHGBKNEOH-HXUWFJFHSA-N 383.404 -0.367 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1840167400 OHCYTSORAHRSPI-IBGZPJMESA-N 391.472 -0.914 30 20 GBED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841893229 ONQJXIMCFOIQQO-OAHLLOKOSA-N 399.513 -0.489 30 20 GBED C=CCNC(=O)NC(=O)CN(CCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 11562973 BITGQGISAPKVKB-UHFFFAOYSA-N 396.448 -0.761 30 20 GBED Cc1cc(S(=O)(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1C#N 278095869 WBTOFQDFZDFXPX-ZDUSSCGKSA-N 385.467 -0.162 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CSC[C@@H]1C(=O)N(C)C)c1cc[nH]n1 278203282 SEWHUDRYGDLLEN-RJYNFHTFSA-N 383.430 -0.317 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1=O 281355776 LTQDQOQUTSVKEB-CYBMUJFWSA-N 386.412 -0.117 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)NCCOc2ccc3c(c2)OCO3)c1=O 298775440 JHAJOPLJOZNESS-UHFFFAOYSA-N 386.364 -0.175 30 20 GBED CN(C1(CO)CC1)S(=O)(=O)CCCS(=O)(=O)Nc1cccc(C#N)n1 349461927 AHDFAVBZFKQACL-UHFFFAOYSA-N 388.471 -0.128 30 20 GBED CN([C@H]1CCNC1=O)S(=O)(=O)CCCS(=O)(=O)N[C@@]1(C#N)CC1(C)C 349467419 SDNRCVPUSSWLLG-SMDDNHRTSA-N 392.503 -0.862 30 20 GBED C[C@@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)Nc1nc2ccccn2n1 349568965 ARNLPKBEJUYRLV-NSHDSACASA-N 386.459 -0.060 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)N(C)CC#N)CC[S@](=O)C1 349605923 IIWGZDMAPVLWAF-XMHCIUCPSA-N 399.560 -0.418 30 20 GBED N#Cc1ncn(CCNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)n1 367430231 NXAVPAOEAPQXMX-UHFFFAOYSA-N 377.364 -0.097 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](CN)CC(C)C)CC2)c1C#N 419948792 GHXIZJFKDVJXTK-AWEZNQCLSA-N 375.477 -0.262 30 20 GBED COCCN(CC#N)C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 457201747 HWCWCHSIXWAEPQ-GFCCVEGCSA-N 380.426 -0.315 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)CC1 459881669 FHFGTKZOROIRFY-CAOSSQGBSA-N 376.457 -0.931 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cn1 462615827 LNPKHORLAVQGOP-UHFFFAOYSA-N 397.438 -0.222 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 509979707 QOHVRQSLFQXFSB-ZDUSSCGKSA-N 393.469 -0.173 30 20 GBED N#CCNC(=O)CNC(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 511916197 KWUBNIXXIDALJX-UHFFFAOYSA-N 377.376 -0.302 30 20 GBED N#Cc1cn(C2CN(C(=O)Cn3nnnc3-c3ccsc3)C2)c(=O)nc1O 530273700 XCNQKXNKQNNATH-UHFFFAOYSA-N 384.381 -0.381 30 20 GBED C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(=O)NCC#N)cc2)C[C@H](C)O1 557723390 ILEHZICDUVJTSB-STQMWFEESA-N 394.453 -0.146 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 562004119 ILIHXZJJZQXLIM-YVVXQTMVSA-N 389.456 -0.047 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCO[C@H](C(=O)O)C3)CC2)c(F)c1 591567534 DOUDHWOUOWSJRS-HNNXBMFYSA-N 390.371 -0.342 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCC[C@]1(O)CCOC1 594633763 GXNYXXKZFWZDDS-AWEZNQCLSA-N 389.455 -0.692 30 20 GBED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)N(C)C)CC1 613336951 NDSYDJFSRMIWGH-UHFFFAOYSA-N 388.471 -0.320 30 20 GBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2sccc2C(N)=O)CC1 728572491 HGVUGVLFJHTPMN-GFCCVEGCSA-N 377.470 -0.459 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(F)cc2F)CC1 728608556 HHDACAQOPXPBHE-UHFFFAOYSA-N 378.379 -0.412 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2csc(C(=O)OC)c2)CC1 742291059 XHIIVIZGICAKHH-UHFFFAOYSA-N 385.467 -0.410 30 20 GBED Cn1cnc(S(=O)(=O)NCC(=O)OCC(=O)N(CC#N)c2ccccc2)c1 756452182 LTAYZXNKVLQIPL-UHFFFAOYSA-N 391.409 -0.202 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Cn2cc(S(N)(=O)=O)cn2)C1 758769776 JNYRPNOTMDJFKH-JQWIXIFHSA-N 398.445 -0.594 30 20 GBED CCOC(=O)CON=C(C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc[nH]n1 772155703 NJSUXWLCEWTNPF-CHWSQXEVSA-N 379.417 -0.327 30 20 GBED C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H](C)CC)n(CC(N)=O)c2=O)cn1 772313711 NTGVMBCLKBHQGS-NSHDSACASA-N 385.449 -0.190 30 20 GBED C#C[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C(C)(C)C 807536003 NDFQBABEUSMVJD-CYBMUJFWSA-N 375.429 -0.156 30 20 GBED COC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 831065594 DHFGEHPKYGLVAD-JOYOIKCWSA-N 383.382 -0.642 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@]2(c3ccccc3)CCC(=O)NC2)CC1 847436580 PYCXECIOAWUYQT-OAQYLSRUSA-N 382.464 -0.272 30 20 GBED C#CCN(CC(=O)OC(C)(C)C)C(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 850609054 SZLHNLAEZIHSGZ-UHFFFAOYSA-N 390.396 -0.069 30 20 GBED C=C[C@@H](O)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 855581040 KYPWZJAFKFRRSU-MRXNPFEDSA-N 383.470 -0.190 30 20 GBED CCOC(=O)CON=C(C(=O)N1C[C@@](C)(CO)[C@@](C)(CO)C1)c1cc[nH]n1 862996161 ZFLXJKZMFUGWAL-CALCHBBNSA-N 382.417 -0.467 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 954631118 PHDYMMPZBDODLI-LEUOFYLZSA-N 375.469 -0.195 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@@H]1O 964503663 NAZXJCSBBZZESY-AEIGPULVSA-N 376.413 -0.442 30 20 GBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C2CC3(C2)NC(=O)NC3=O)nn1 1055356011 BVUPMCVVHLRKNQ-GNTREHPQSA-N 381.396 -0.438 30 20 GBED C#CCN1CCC(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1057861425 WVGILXOSNYQCLE-LFDJNIOPSA-N 389.496 -0.308 30 20 GBED COCCS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N 1092928943 FSBRNAVRRBDALR-DYEKYZERSA-N 379.442 -0.365 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CN(C)C[C@@H](C)O1 1110707973 DPOXAXBDYVICQN-DGXTUMSLSA-N 393.488 -0.561 30 20 GBED Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C=NNC(=S)NCC(N)=O 1116024626 VOYDRINNDBBFOB-QMMMGPOBSA-N 392.894 -0.512 30 20 GBED C#CCCN[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C[C@@H]1n1ccnn1 1130037976 FRWUETUANYNTKW-ZJPYXAASSA-N 383.456 -0.055 30 20 GBED CN1C(=O)CC[C@@H](NC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)C1=O 1261450331 YAGOSMPYZAIHSX-CYBMUJFWSA-N 383.408 -0.271 30 20 GBED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NC[C@H]2COCCO2)CC1 1321710008 QCUCBBFJCODZMX-ZDUSSCGKSA-N 389.412 -0.396 30 20 GBED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C(=O)NCCCC#N 1323451456 DTJRZOJMTQKJFR-UHFFFAOYSA-N 382.442 -0.664 30 20 GBED CN(C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)[C@H]1CCS(=O)(=O)C1 1324171911 GWTNACDRJQKBFP-NSHDSACASA-N 388.409 -0.277 30 20 GBED C=CCN(C(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@@H](C)COC 1329015392 OXDIFGVODMPJDU-UVPYHEFZSA-N 389.452 -0.041 30 20 GBED CN1CCC[C@H](NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1=O 1329980511 QPHLKQCRJVXHID-HNNXBMFYSA-N 384.440 -0.225 30 20 GBED C[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1)c1cccc(C#N)c1 1331501265 FIFLFVPNTDKZQU-CYBMUJFWSA-N 394.453 -0.486 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2CCc2cccs2)CC1 1335265693 VRXLBBWFYWUSFC-UHFFFAOYSA-N 381.487 -0.433 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCn2cnc3ccccc32)CC1 1335467513 QCYSTAPVGXQBJG-UHFFFAOYSA-N 390.469 -0.169 30 20 GBED C=CCN(C)c1nnc([C@H]2COCCN2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1574925245 LDJOHDKSKOSRBE-UONOGXRCSA-N 384.506 -0.157 30 20 GBED C#Cc1ccc(C(=O)N2CCO[C@H](CN=c3cc[nH]c(-c4nn[nH]n4)n3)C2)nc1 1588365367 XVBJCOZHAJTJOP-CYBMUJFWSA-N 391.395 -0.592 30 20 GBED C=CCn1cc(C(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)nn1 1588710817 CZXRJILVAZHLOC-LLVKDONJSA-N 381.404 -0.215 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCN2CCOC[C@@]2(CO)C1 1592664635 GMPKDHNJGNWAAG-APWZRJJASA-N 397.439 -0.546 30 20 GBED N#Cc1cncc(CNC(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 1592704197 AOXZNLHIWXITRP-UHFFFAOYSA-N 398.408 -0.272 30 20 GBED N#Cc1nccc(N2C[C@H]3[C@H](CNC(=O)c4ccc(-c5nn[nH]n5)[nH]4)[C@H]3C2)n1 1592708807 QOSURQBRBUPSLP-RTCCRHLQSA-N 376.384 -0.031 30 20 GBED CS(=O)(=O)[C@H]1C[C@]1(CNS(=O)(=O)c1cccc(F)c1C#N)C(=O)O 1599763467 HMYFIHOFSMAOFL-WCQYABFASA-N 376.387 -0.136 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)N(C)C 1761483315 WMWWHRNKLBCNCE-YGRLFVJLSA-N 387.441 -0.582 30 20 GBED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)N1C[C@H]2C[C@@H]2C1 1778862249 AAZQVIDYCQJACF-GPINWOSQSA-N 375.425 -0.756 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1781399666 DHZDHOGEQKRKDL-HBUWYVDXSA-N 397.476 -0.790 30 20 GBED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=N)N)CCO3)C2)c1 1781961338 BNXMOAWKRWRQTH-GOSISDBHSA-N 388.403 -0.376 30 20 GBED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(C3)CN(C(=O)C(O)O)CCO4)c2c1 1782194717 OYLFMIXCDQRUOF-SFHVURJKSA-N 385.380 -0.811 30 20 GBED Cc1nnc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)s1 1794109648 BHLMCURCOZLTFY-DPIQGUFMSA-N 392.437 -0.543 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C)cn1 1794900016 XPKLPHKNIDHDAI-OLDVJPBNSA-N 387.440 -0.518 30 20 GBED COCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1795355474 FGEWELLCIPAFFC-IAILGRRXSA-N 393.440 -0.049 30 20 GBED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC)C(=O)O)C2 1800544254 UXRHDRVSTNQIEO-GFQSEFKGSA-N 389.399 -0.150 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)Cn2cncn2)[C@H]1c1cccnc1 1807604276 IGJPLSNJCGQSCA-RDTXWAMCSA-N 382.380 -0.533 30 20 GBED Cn1cnc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)n1 1812876123 BZZZNBCLCJVHFO-XJKSGUPXSA-N 382.380 -0.382 30 20 GBED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)CCn3ccnn3)sc2C1 1826879077 JUJRJIJZRRJORN-JTQLQIEISA-N 388.409 -0.175 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1831420296 VYRLRKVKTMOKGI-KSSFIOAISA-N 393.444 -0.524 30 20 GBED C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1831614252 GWGAQCUWMISAIC-IFXJQAMLSA-N 392.456 -0.352 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CC(=O)NC)CC2)CC1 1833435840 HEJJOTVSUMKMKL-OAHLLOKOSA-N 392.500 -0.268 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1839806453 PMNOMMVUKDPZMJ-IBGZPJMESA-N 377.441 -0.521 30 20 GBED COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](C)S)CCO3)C2)CC1 1840164518 MHUVTGRUPFLMNV-BLLLJJGKSA-N 386.470 -0.286 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1840175041 DEYKSDBNXBEBAT-SFHVURJKSA-N 392.412 -0.407 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=S)NCC)C2)C1 1840175651 WMLDZOBDJUVBOJ-QGZVFWFLSA-N 384.502 -0.497 30 20 GBED N#CC1(C(=O)N2CC3(CCCN3C(=O)CS(=O)(=O)N3CCCC3)C2)CC1 1843413664 NKMLQXHQHLHPNO-UHFFFAOYSA-N 380.470 -0.081 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)OCc2cc(=O)n(C)c(=O)n2C)cc1 11475788 QXVBOZLXICOEGS-UHFFFAOYSA-N 393.421 -0.095 30 20 GBED C/N=C(/NCCN1CCOCC1(C)C)N1CCN(C(=O)[C@H]2CCCO2)CC1 262534693 JMRYLNDMZLFREN-MRXNPFEDSA-N 381.521 -0.004 30 20 GBED COC(=O)CCc1nc(CO/N=C(\N)C2=C(N)C3(CCCC3)N(C)C2=O)no1 264720451 OWCFZFHQJYRSSQ-UHFFFAOYSA-N 392.416 -0.038 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)CC1 264921981 PZKGMOKTZDWYHB-KSSFIOAISA-N 378.498 -0.276 30 20 GBED CN([C@@H]1CCNC1=O)S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N 349467443 SMZKTVFSHAQRDU-LLVKDONJSA-N 380.492 -0.910 30 20 GBED C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1S(=O)(=O)NC1(C#N)CC1 349471923 OUDWXEKIRBATRD-NSHDSACASA-N 398.466 -0.470 30 20 GBED C[C@@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 349480830 NJSCQQQEZJAHSP-VXGBXAGGSA-N 385.533 -0.710 30 20 GBED CCN1C[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)C[C@H]1C 349481348 ZMZLSDWZAUDLPW-ZIAGYGMSSA-N 380.536 -0.094 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C2(C#N)CCC2)CC(=O)N1 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N#CCCn1ccc(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)n1 492228275 VBLKXQAGBXVXGA-ZDUSSCGKSA-N 394.457 -0.238 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CCO1 521590667 SRGNDEPYWKHXAU-AWEZNQCLSA-N 378.410 -0.084 30 20 GBED CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 551835178 LCRUUBBRFQZTLI-LLVKDONJSA-N 377.449 -0.324 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC3([S@@](C)=O)CC3)CC2)c1C#N 580130748 JNPBTUCRSNDZON-HHHXNRCGSA-N 392.485 -0.724 30 20 GBED CN([C@H]1CCCc2c1cnn2C)S(=O)(=O)CCCS(=O)(=O)NCC#N 594636301 PKOAATRVIATTPR-AWEZNQCLSA-N 389.503 -0.108 30 20 GBED Cc1cc(N2CC[C@H](CO)[C@H](O)C2)c(C#N)c(N2CC[C@H](CO)[C@@H](O)C2)n1 596205676 FQIXRCKFWDBJIQ-DTDBQYNISA-N 376.457 -0.379 30 20 GBED C#CCNC(=O)CN1CCN(CCC(=O)N2CCN(c3ccccn3)CC2)CC1 728570366 AUWAPKLHFHTMRU-UHFFFAOYSA-N 398.511 -0.513 30 20 GBED N#C[C@@H]1COCCN1CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O 737681205 AXBUWZOTSZYOBU-CYBMUJFWSA-N 382.384 -0.187 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CO)C(=O)O)CC2)cc1 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388.428 -0.351 30 20 GBED C=CCN(C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)[C@@H](C)COC 1328282156 OHFZCHCQWIONKN-HNNXBMFYSA-N 394.472 -0.671 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)CC1 1335490105 ISTLXNBSYRFCNO-QGZVFWFLSA-N 399.517 -0.131 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(c2cc(C)ncc2-c2nn[nH]n2)C1 1573286833 IUZJKNOOKRJLBC-FZKQIMNGSA-N 385.428 -0.334 30 20 GBED C=CCOCC(=O)N1CCCO[C@@H](CN[C@@H](C)C(=O)NCc2cnn[nH]2)C1 1575108400 KIIMBUFIOKLOPK-ZFWWWQNUSA-N 380.449 -0.781 30 20 GBED C=CCNC(=O)CNC[C@H](C)N(C)C(=O)C1CCN(Cc2cnn[nH]2)CC1 1575108693 PHQAWZKOUZNQEK-AWEZNQCLSA-N 377.493 -0.245 30 20 GBED N#Cc1ccc(N2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H](O)C2)cn1 1581871125 IGGRXADJEHBIFB-WFASDCNBSA-N 379.384 -0.169 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[nH]n4)n3)C[C@@H]2O)nc1 1588368191 QWNSIVPHQXQPEL-WFASDCNBSA-N 391.395 -0.597 30 20 GBED CCCNC(=O)CN(C)C(=O)CSc1nc(N)c(C#N)cc1-c1nn[nH]n1 1590637161 RKMCDOYVQFBWHY-UHFFFAOYSA-N 389.445 -0.208 30 20 GBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1592679327 MVLIDMAQMFPPJT-NSHDSACASA-N 390.429 -0.591 30 20 GBED CN1CCN(C(=O)CC2CCN(c3cnc(-c4nn[nH]n4)c(C#N)n3)CC2)CC1 1604862580 MDNZWCQHUDGZRA-UHFFFAOYSA-N 396.459 -0.091 30 20 GBED COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1619919559 ZNJAMXVJSGTNSX-STQMWFEESA-N 386.478 -0.004 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1778247619 JNHMFYWBMXQNQH-UZLBHIALSA-N 384.388 -0.092 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1779311704 XOPSMRRJRFOZEG-YJBOKZPZSA-N 399.513 -0.113 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(C)=O)C2)C1 1783141911 HROPKYXLTSIZCM-SFHVURJKSA-N 381.429 -0.538 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1783344647 QHGYXEJDTKKVFU-UZLBHIALSA-N 386.404 -0.492 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC)NC(C)=O)C[C@@H]21 1784475195 XAGWDVGPVUENPA-HILJTLORSA-N 393.484 -0.081 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccn1)C2 1792485110 AZINTWBSIXSLCJ-BEXDMUFCSA-N 385.424 -0.462 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cnc[nH]1)C2 1792491237 CFJFELPEEFSIEU-NAFSPQRMSA-N 399.451 -0.129 30 20 GBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[C@@H]1SC(=N)NC1=O 1796427358 LWHNQIUMSIONMX-AMVBZWJASA-N 392.481 -0.208 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1ccnn1 1801391110 ZYQUJAJPSYNPMA-MPTYRVRUSA-N 375.429 -0.704 30 20 GBED C=CC(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1820148440 LIKNWWIUORKFAT-VHSXEESVSA-N 390.421 -0.166 30 20 GBED CC[C@H](NC(N)=O)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825665361 HRMLBJLRSMWUBW-IUCAKERBSA-N 393.425 -0.410 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@H](NC)C(=O)O)C3)C2)C1 1829666355 CJSUHIGRLODHEF-HNAYVOBHSA-N 395.456 -0.528 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1831419472 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C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@H]([C@@H]2CCOC2)C1 349505948 ULQTYTYNVSUFKB-MELADBBJSA-N 379.504 -0.104 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C 430216952 JSNKBRASISRMMZ-GXTWGEPZSA-N 395.423 0.498 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(C3CCN(C)CC3)n2)C1=O 440234450 ACRXLVZRDYNKTB-OAHLLOKOSA-N 388.472 0.334 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NCCCCS(N)(=O)=O)c1 562762189 ZTXAWRCHTCSLIF-UHFFFAOYSA-N 375.472 -0.051 30 20 GBED CC(C)NC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 579141079 YDZJJAAICHUFCA-NSHDSACASA-N 388.471 -0.320 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@@H](CC(N)=O)C1 588745324 QGBMBSZPKJIYIK-LBPRGKRZSA-N 381.396 0.110 30 20 GBED N#Cc1ccc(CNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)c(F)c1 610426332 WNINNJMEJAHWSG-UHFFFAOYSA-N 379.373 -0.281 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccsc2C(=O)OC)CC1 728572533 IWTQBYVXHNBSBY-UHFFFAOYSA-N 378.454 -0.160 30 20 GBED CCC1(CC)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1=O 732907597 BGWDWAOJMNCEMZ-LLVKDONJSA-N 398.441 -0.937 30 20 GBED N#CCOc1cccc(NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)c1 746128416 FGEOIHWENAVZJQ-UHFFFAOYSA-N 377.382 -0.067 30 20 GBED C#CCOCCC(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 756305252 SCSJZLQDPUAXIX-GJZGRUSLSA-N 387.454 -0.236 30 20 GBED CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767635140 GKIUVZZZYOSMCE-NXEZZACHSA-N 382.398 -0.388 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc3c(cc2C)OCO3)CC1 795093449 OIBOUIJZBYBVET-UHFFFAOYSA-N 379.438 -0.221 30 20 GBED CN1CCC(N(C)c2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc2)CC1 807402160 ZXWGYPBRMFJICS-UHFFFAOYSA-N 386.456 -0.089 30 20 GBED C#C[C@H](NC(=O)C(=O)NCC1(N2CCOCC2)CC(OCC)C1)[C@@H]1CCCO1 809310732 UNKXNRDIZGFHLM-ASPXRTSYSA-N 393.484 -0.331 30 20 GBED N#Cc1ncn(CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)n1 826388451 ZPEOIXQCZIQCDW-ZDUSSCGKSA-N 392.383 -0.358 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 827431858 YGJHKNPGKLOYRN-GOSISDBHSA-N 383.514 -0.191 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2COc3ccc(OC)cc3C2)CC1 831556366 LYLJEZQVYKNBHU-OAHLLOKOSA-N 393.465 -0.142 30 20 GBED N#C[C@H]1CNC[C@@H]1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 843458828 AFKFSQCMGDEKTK-JSGCOSHPSA-N 394.453 -0.256 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)c1cn(C)nn1 845135577 HLIMACBOCNUDGT-JTQLQIEISA-N 377.382 -0.220 30 20 GBED C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncncc1OC 848960489 CEFPCJYKMZULAZ-NSHDSACASA-N 376.460 -0.100 30 20 GBED O=C(CN1CCCS1(=O)=O)OCC#CCN1C(=O)c2ccccc2C1=O 859510036 BYLLPNLUWYVOEW-UHFFFAOYSA-N 376.390 -0.135 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](OC)C1 944643120 WJDYJLZWKFUOLZ-RJZRQDKASA-N 376.413 -0.673 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nnc3ccccc3n2)C[C@H]1O 1025711413 RRFAQYYMPKAWJU-MPESAESLSA-N 383.408 -0.083 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)Nc2cnccn2)C[C@@H]1O 1083853776 NHGCGDCOCQUROS-LOUJCGABSA-N 375.429 -0.442 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1COCCN1C 1110451337 YEJGPENWTHIESP-NCOADZHNSA-N 377.489 -0.199 30 20 GBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCC(=O)NC1=O 1111241911 IHALUNVTKCLPES-DGAVXFQQSA-N 377.445 -0.660 30 20 GBED Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)n(CCC#N)n1 1117750149 JUYIGRTUTAIIEA-GFCCVEGCSA-N 382.446 -0.464 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)C1 1219649541 CVHFNGATBNOQCK-FQLMCAECSA-N 382.461 -0.779 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCCCOC(C)C)C[C@@H]1O 1220382764 NIXYJDZJFAJPTI-NCOADZHNSA-N 383.489 -0.330 30 20 GBED N#Cc1cn(CC(=O)NCCn2cc(Br)ccc2=O)c(=O)nc1O 1298602687 MGOFASXYEUQJIN-UHFFFAOYSA-N 394.185 -0.439 30 20 GBED CS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1302500322 VPJUDYFYXQKXQJ-HNNXBMFYSA-N 399.452 -0.495 30 20 GBED CN1C[C@H](NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1=O 1322594298 PLNBMBFGEHJTEU-QGZVFWFLSA-N 383.452 -0.061 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)nn1 1325932670 RRKXYCXXCUXBLT-ZDUSSCGKSA-N 386.416 -0.956 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)CCO1 1327333401 IILCHSBSROLZNJ-HRCADAONSA-N 396.403 -0.619 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CCn2cnc(Br)n2)c1=O 1330250025 XXWPVVRWJAAKPR-UHFFFAOYSA-N 383.206 -0.402 30 20 GBED COc1ccc(OC)c(CN(CCO)C(=O)C(=O)N2CCO[C@H](C#N)C2)c1 1331083871 RWHMOTHKDXSDCV-OAHLLOKOSA-N 377.397 -0.224 30 20 GBED CCN(CC)[C@H]1CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1342098967 OTBPVKJELDYUMW-PVEMMZBWSA-N 377.445 -0.428 30 20 GBED Cc1nc(N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)ccc1C#N 1571139571 IOVAUXXUWVWYOM-ZIAGYGMSSA-N 379.384 -0.251 30 20 GBED Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCn1cnc(-c2nn[nH]n2)n1 1580933763 BIPNSIBISHYSFO-UHFFFAOYSA-N 377.365 -0.244 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 1589788420 YNQYZENIDYWEOO-LBPRGKRZSA-N 391.461 -0.138 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@H]2[C@@H]3CN(c4ccc(-c5nn[nH]n5)nn4)C[C@H]23)c1 1606357091 GEJADRCIBLJIOQ-CNDDSTCGSA-N 376.384 -0.031 30 20 GBED N#Cc1nc(NC2CCN(S(=O)(=O)C3CC3)CC2)cnc1-c1nn[nH]n1 1606393372 TVXIATVDUVKJNR-UHFFFAOYSA-N 375.418 -0.103 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1C 1645761637 YRJYZLACYPDTIO-SUNKGSAMSA-N 385.467 -0.226 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1O 1757002149 FHDQGENRDWAAST-WGBDABJCSA-N 375.372 -0.963 30 20 GBED CC(=O)N(C)[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1778109700 XOYIOCXZMTYGMU-ZXYWRSMDSA-N 393.440 -0.545 30 20 GBED NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779138041 NYAGALJAJPTTDI-SVYXSEEQSA-N 376.413 -0.206 30 20 GBED COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1779311010 PPORWARZRMANQZ-LPHOPBHVSA-N 377.441 -0.619 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1cncn1)C2 1793362359 NRSOHZZOHGNHTJ-PNBKFKSVSA-N 377.445 -0.151 30 20 GBED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2 1793384203 SMOXJDOCAYJBCG-JLUCKKNBSA-N 396.517 -0.137 30 20 GBED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)c1nc2ncccn2n1 1796954911 BTTVUVOODNSAKU-MIFYACCESA-N 380.408 -0.259 30 20 GBED C[C@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797744324 BNXSPUWTASANOX-KKKOQGNTSA-N 379.461 -0.818 30 20 GBED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1ncon1 1798351393 QMOYEWWVRMSJLK-MIFYACCESA-N 388.424 -0.029 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1799396490 UWKAJBVRTJCJKD-SVZOTFJBSA-N 394.472 -0.097 30 20 GBED C#CC(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1812526854 PVHWFNFUXAPBDN-CZUORRHYSA-N 380.341 -0.555 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819662465 JJQOYQYUZVFILC-VHSXEESVSA-N 389.437 -0.031 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C)COC3)C2)C1 1831386587 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GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1840173658 KZETWVYBKPRKJO-CRAIPNDOSA-N 377.445 -0.053 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2 1845189239 JROJUCNDXHJRLW-UHFFFAOYSA-N 395.412 -0.758 30 20 GBED CCOC(=O)c1ccc(N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)nc1 26707741 WEDRKQAAMIUUEC-UHFFFAOYSA-N 398.423 -0.146 30 20 GBED C#Cc1cccc(NC(=O)CN(C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 53191842 PTYHVUHLTLEICR-UHFFFAOYSA-N 383.408 -0.599 30 20 GBED CSCC/N=C(/NC[C@H]1CCS(=O)(=O)C1)N1CCN(C(C)=O)CC1 261761393 RFKKZRCBHRGJLK-CQSZACIVSA-N 376.548 -0.106 30 20 GBED C/N=C(/NCCNS(=O)(=O)c1ccc(C)cc1)NCCN1CCOCC1 264992596 QQRPJLOJJFCWTM-UHFFFAOYSA-N 383.518 -0.229 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(S(=O)(=O)c1ccc(C#N)cc1)C2 276157769 QWWLKDOQWARBOL-UHFFFAOYSA-N 390.425 -0.791 30 20 GBED C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 297869681 UGBSIJHWWTXVEB-BPUTZDHNSA-N 388.424 -0.069 30 20 GBED C=CCOC[C@@H]1NC(=O)N(CCC(=O)N2CCN(c3ncccn3)CC2)C1=O 348380265 GQONXOANKPNFTI-AWEZNQCLSA-N 388.428 -0.362 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCC(F)(F)[C@H]1O 349540865 VEVATSOHAXZNOG-AXFHLTTASA-N 389.446 -0.324 30 20 GBED CC(C)CS(=O)(=O)N1CCC(NS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409491883 OGTLBOOFUGIBDP-AWEZNQCLSA-N 394.519 -0.505 30 20 GBED CCN(CCC#N)S(=O)(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 410108655 XJLIBVZWRXDKKB-UHFFFAOYSA-N 395.489 -0.415 30 20 GBED COCCO[C@H]1C[C@H](CO)CN(S(=O)(=O)N(CCC#N)CCOC)C1 410423406 ROTFOIDBFKNSJD-GJZGRUSLSA-N 379.479 -0.561 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCOC)Cc2c(C)nn(C)c2C)C1=O 457293294 WMUMEYHBIUISSM-UHFFFAOYSA-N 391.428 -0.011 30 20 GBED Cn1c(=O)c(C(=O)CN2CCOC[C@@H]2C#N)c(N)n(Cc2ccccc2)c1=O 471239315 QGDQCBIUBCJWAK-AWEZNQCLSA-N 383.408 -0.415 30 20 GBED C=CCOC[C@H](NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C)C(=O)OC 481764032 FNKQLLYYZXRWPN-LBPRGKRZSA-N 390.396 -0.585 30 20 GBED N#Cc1ccc(N2CCN(S(=O)(=O)N3CCS(=O)(=O)CC3)CC2)nc1 500322268 AHEUXJSESXASAX-UHFFFAOYSA-N 385.471 -0.950 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)nn1CCC#N 505062929 NFCFXYWKXOZQAZ-UHFFFAOYSA-N 384.400 -0.347 30 20 GBED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccnn2CC)c1=O 512771942 RRWPWJILRGWGKW-UHFFFAOYSA-N 389.481 -0.198 30 20 GBED CC1=NNC(=O)[C@@H]1CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 532494550 KZFSHKCGERPUHF-SMDDNHRTSA-N 377.426 -0.147 30 20 GBED C=CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 533065931 RRPWLBXSANNNBK-ZDUSSCGKSA-N 387.483 -0.052 30 20 GBED Cc1ccccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(CC(N)=O)c1=O 547962303 SVKORMYFXOZBKA-AWEZNQCLSA-N 397.456 -0.188 30 20 GBED N#Cc1cc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)ccc1Br 559719242 PNCOPNAVTQVVIR-UHFFFAOYSA-N 395.213 -0.078 30 20 GBED C[C@@H](CNC(=O)C(=O)N(C)CCOCc1ccc(C#N)cc1)S(N)(=O)=O 561825406 VCIZQHKICMMMFA-LBPRGKRZSA-N 382.442 -0.674 30 20 GBED C=CCN(C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)[C@H]1CCS(=O)(=O)C1 563892576 XIQCOECIZGTFRD-ZNMIVQPWSA-N 386.470 -0.406 30 20 GBED C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN(C)C 565607411 INDDCVIVHDDMFM-CHWSQXEVSA-N 395.485 -0.592 30 20 GBED CN(CC(N)=O)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C(C)(C)C#N)cc1 566478265 DQCYYNCLKMHPLN-UHFFFAOYSA-N 388.471 -0.285 30 20 GBED C[C@H](CO)C1CCN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1 593733017 UNLFIPNKKIDFHX-GFCCVEGCSA-N 376.461 0.122 30 20 GBED COc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H](C)O)CC2)c(F)cc1C#N 599958772 KSARHOMLPAOIKL-JTQLQIEISA-N 378.360 -0.304 30 20 GBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 735381004 JPNMVWCZDLZOAD-AWEZNQCLSA-N 396.455 -0.439 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1)[C@H]1CCCO1 804910983 GHYOVFBYOCSWKH-HZPDHXFCSA-N 394.449 -0.118 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cccn(C)c2=O)C1 969331935 MOMFUUAZFTZEOU-UKMLZYKCSA-N 375.425 -0.332 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cnoc2)C1 990936841 YRCKROURIDCONH-WCVJEAGWSA-N 386.412 -0.032 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnc(OC)n2)C[C@H]1O 1023939599 HSIBSRJIMBIGEM-MYPMTAMASA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 1025722303 YYZXVAPPDJBXHC-NGFQHRJXSA-N 376.413 -0.937 30 20 GBED CCc1nc(C#N)cc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)n1 1041450035 VJKTXYDPXQQASE-QQPQVQKFSA-N 387.440 -0.372 30 20 GBED C=CCCn1cc(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)nn1 1057711076 IFIGEGWCFLEXKM-VUBIOHBQSA-N 389.456 -0.172 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1057962484 XYQMBAZLVIMQAU-UFYUIRFASA-N 375.469 -0.556 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnc3n2CCOC3)C[C@H]1O 1077019255 PLAHKIYKDPJZCR-TUVASFSCSA-N 377.445 -0.549 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)Nc2nncs2)C[C@H]1OC 1082149818 QGTDEQZJPIRBRH-FVCCEPFGSA-N 381.458 -0.117 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CC(=O)N(C)C1 1109360835 HAVOKIWUCPVFAE-WCVJEAGWSA-N 375.473 -0.052 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)[C@H]1CCCO1 1117069438 VBFVXSQIEXTTDW-LSDHHAIUSA-N 386.408 -0.521 30 20 GBED N#Cc1cccc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)n1 1117640837 VSKNHYNJFFMZFA-AWEZNQCLSA-N 392.437 -0.559 30 20 GBED N#CCNC(=O)CN1C[C@H]2C[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)C[C@@]3(C1)O2 1131243882 GUORSHBZGGLGPH-VRFXFYOESA-N 386.452 -0.649 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 1261329367 DKHGYJSQMHXOLX-UHFFFAOYSA-N 385.424 -0.449 30 20 GBED CCS(=O)(=O)N(C)C1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1261484695 HNYUNBWBWYVVRI-MRXNPFEDSA-N 386.474 -0.864 30 20 GBED CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 1321889493 BTKXGIGVQZNBLG-FRRDWIJNSA-N 380.492 -0.847 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1323470794 VCHLTHYDCFUXFW-CYBMUJFWSA-N 398.460 -0.501 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC([C@H](O)c3nccn3C)CC2)nn1 1326719413 VTYNJYXJBSUXJN-HNNXBMFYSA-N 387.444 -0.214 30 20 GBED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NCC#Cc2ccccc2)CC1 1330740708 AMXNCHKZZALSLY-UHFFFAOYSA-N 378.454 -0.895 30 20 GBED Cc1cn(C)c(CC(=O)N2CCO[C@H](C#N)C2)c1C(=O)N1CCO[C@H](C#N)C1 1339392534 IOSUGZGQRIHIRR-HUUCEWRRSA-N 385.424 -0.008 30 20 GBED C=CCn1c(-c2cn(CCO)nn2)nnc1N1CC[C@H](CN2CCOCC2)C1 1340783444 PNCHJBCIFMTUDI-OAHLLOKOSA-N 388.476 -0.127 30 20 GBED CC(C)(CC#N)CNC(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 1348747804 JPZSRQBBTSURBI-CYBMUJFWSA-N 388.490 -0.353 30 20 GBED C=C[C@@](C)(O)CC(=O)NCC[C@@H]1CN(CCc2cnn[nH]2)CCS1(=O)=O 1575071774 BXNPTVFXWNLNTH-GDBMZVCRSA-N 385.490 -0.720 30 20 GBED N#Cc1cc(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)CCO2)c[nH]1 1581865219 FVXRIKYXDXQHSS-GFCCVEGCSA-N 380.372 -0.508 30 20 GBED C#CC[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)O 1588405372 MOLPHEAWBFLSII-INIZCTEOSA-N 393.465 -0.106 30 20 GBED CN(C)[S@@](C)(=O)=NC(=O)CSc1nc(N)c(C#N)cc1-c1nn[nH]n1 1591024616 HTDHEUWPCXXLGP-VWLOTQADSA-N 381.447 -0.091 30 20 GBED COC[C@@](C)(C#N)NC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1605042177 PCNFIHNDLWYUFH-CQSZACIVSA-N 379.402 -0.810 30 20 GBED N#CCN1CCC(NC(=O)C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CC1 1606349861 JRORCKVIZCBLRB-UHFFFAOYSA-N 386.391 -0.274 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C)COC1 1611711681 RUQDGXDFHXZMBC-NEPJUHHUSA-N 384.462 -0.346 30 20 GBED CO[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1NC(=O)C#CC1CC1 1757127556 KRZNVUDIUXQYAL-LVQVYYBASA-N 377.441 -0.445 30 20 GBED CC(=O)N(CC(=O)O)C[C@H]1CN(S(=O)(=O)c2cc(C#N)ccn2)CCO1 1776202734 XRLXRTZGBFVCLX-ZDUSSCGKSA-N 382.398 -0.724 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1 1778000542 QQTXPKTVERLAPI-XTDOFWJNSA-N 382.505 -0.641 30 20 GBED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=N)N)C2 1780802088 NOEKSKZSVDAJOG-HBUWYVDXSA-N 396.492 -0.216 30 20 GBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)nc3cccnn13)C2 1781695768 CBJGHLCDASOZGJ-FOIQADDNSA-N 395.419 -0.150 30 20 GBED CC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1783139859 FWYRKPKTPPXXFN-ABQTWSPHSA-N 376.413 -0.336 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 1783531019 GAFRNTYTDIACEY-JJVDHKILSA-N 388.428 -0.744 30 20 GBED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C(O)O)[C@H]4C3)c2c1 1783867520 BGCVPTQSSRJPDP-WHOFXGATSA-N 399.407 -0.661 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnn3)C[C@@H]21 1788572532 IPDAESICPPZHII-YHUYYLMFSA-N 391.472 -0.169 30 20 GBED CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795413106 OKHLBNZLKGZJRY-DABQJJPHSA-N 379.486 -0.636 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nnc1C)C2 1797708273 ODXASSYIDZIAOS-QVHKTLOISA-N 377.445 -0.111 30 20 GBED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)C(O)O)CC2 1819900862 QYNPDRZTPNDGBY-DTWIFCHJSA-N 398.441 -0.105 30 20 GBED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CNC(=O)O2)[nH]n1 1822197762 UPHMHEKUYWWDRJ-MNOVXSKESA-N 375.341 -0.402 30 20 GBED Cc1cc(C)n(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)n1 1833036254 WCDBLXCJJXKMQU-GOSISDBHSA-N 375.429 -0.130 30 20 GBED COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)CC1 1835362082 CYFGCWLBBAENNJ-QGZVFWFLSA-N 379.413 -0.300 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1840042228 HIDDBQWMQLRYTD-SFHVURJKSA-N 391.355 -0.621 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1840042759 NCZOBYKZPNVTOK-GOSISDBHSA-N 391.355 -0.621 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4CCNC(=O)C4)CCO3)C2)CC1 1840227803 AXXSPXVMNQBDMN-AUUYWEPGSA-N 390.440 -0.727 30 20 GBED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1)n1cncn1 1840416977 BIWUEHVFTNSHKJ-PBHICJAKSA-N 376.417 -0.401 30 20 GBED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)n1cncn1 1840416988 BTATVIUFELMNDM-RDTXWAMCSA-N 388.428 -0.401 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1841625151 QHBMGCQKDXUWGM-GFCCVEGCSA-N 391.457 -0.416 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842874702 GWXWJKSKECOAEL-GFCCVEGCSA-N 390.377 -0.285 30 20 GBED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 50167329 BNQQKRCGKWBZOG-UHFFFAOYSA-N 399.407 -0.545 30 20 GBED C#CCn1ccc(CN(CC)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1 278614808 BGTONZSMOWWRGS-UHFFFAOYSA-N 383.412 -0.688 30 20 GBED C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 284041196 PEDYRMYUUQBIGK-HNNXBMFYSA-N 386.456 -0.561 30 20 GBED C=CCOC[C@@H]1NC(=O)N(C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)C1=O 348585504 KFNZVMWYPUZCJP-AWEZNQCLSA-N 397.457 -0.304 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCCc2c(cnn2C)C1 349478167 JOBQYPOMKMWWKJ-UHFFFAOYSA-N 389.503 -0.327 30 20 GBED N#CCc1ccnc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)c1 349533543 QSBYMXRRNUGUBX-ZDUSSCGKSA-N 388.471 -0.324 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)NCCCNS(=O)(=O)N(C)C[C@@H](C)C#N 409530992 AISKHHZDXKPGRW-BETUJISGSA-N 394.523 -0.772 30 20 GBED C[C@H](CN1CCN(c2ccccn2)CC1)NS(=O)(=O)N1CCO[C@@H](C#N)C1 410127561 BIMCOWOLGYZUBN-CVEARBPZSA-N 394.501 -0.349 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 430378064 QXPWWKBADSSFGA-SPKLELGKSA-N 392.456 -0.080 30 20 GBED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCC#CCO)cc2)CC1 510048169 FUPBCQFFWHCCPW-UHFFFAOYSA-N 379.438 -0.735 30 20 GBED C=CCNS(=O)(=O)c1cccc(-c2nc(-c3ncn(CC(N)=O)n3)no2)c1 547133433 UBUMOEMRMSLMFD-UHFFFAOYSA-N 389.397 -0.055 30 20 GBED CC(C)(C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCn2cncn2)cc1 566571595 FXMRTMPHTRSMPE-UHFFFAOYSA-N 398.470 -0.163 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@](O)(C(F)F)C1 568767972 CDXCRTWFGYUCEG-LBPRGKRZSA-N 389.446 -0.370 30 20 GBED CN(C)S(=O)(=O)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 596691214 XGEFFHHTUKIFFK-HNNXBMFYSA-N 383.449 -0.069 30 20 GBED COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)c1 608911387 DBRSGGWIZMVTNR-UHFFFAOYSA-N 398.444 -0.815 30 20 GBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(CC#N)c1 619476346 GBVDRGWPTROUOR-ZDUSSCGKSA-N 385.467 -0.324 30 20 GBED C#CCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 731124265 NPQZYBNASLSVQS-UHFFFAOYSA-N 398.419 -0.414 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@H](O)c2cc(OC)ccc2OC)CC1 761031452 SENBVTBXXOLNAR-INIZCTEOSA-N 383.470 -0.178 30 20 GBED C[C@@H](CC(=O)N1CCN(C(=O)CO)CC1)/N=C1/NS(=O)(=O)c2ccccc21 765271484 HYPQJFOKYBTVLA-LBPRGKRZSA-N 394.453 -0.833 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 778958950 NPJMLZZLANXRMC-UHFFFAOYSA-N 383.401 -0.216 30 20 GBED C#CCNC(=O)CN1CCN(CCN(Cc2ccccc2)S(C)(=O)=O)CC1 792220388 RPGZUSFTEJFNDH-UHFFFAOYSA-N 392.525 -0.185 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1)[C@H]1CCCO1 809309725 QWJNSQQMGSBILO-LSDHHAIUSA-N 397.439 -0.691 30 20 GBED CCOC(=O)N1CCN(C(=O)[C@H](C)N(CC#N)S(=O)(=O)N(C)C)CC1 853698719 SFRWYPFWNGDXPN-LBPRGKRZSA-N 375.451 -0.692 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)o2)C1 968916339 NQFYESBTFJMQLJ-WCVJEAGWSA-N 391.424 -0.192 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(=O)Nc2cc(C)on2)C[C@H]1O 1023942702 KXSXANLOCGQYOE-JLNYLFASSA-N 392.412 -0.409 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCc1nc(CC)no1 1111262581 XWAVVECZNMQTIJ-MCIONIFRSA-N 375.429 -0.381 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)nn1 1118169293 CKRYULALGCPIBH-UHFFFAOYSA-N 385.428 -0.372 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C 1147353008 SXFUYBWQVLRQLW-ZQIUZPCESA-N 393.513 -0.024 30 20 GBED CNS(=O)(=O)CCNC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 1322988165 KPEILPMTTINAOY-UHFFFAOYSA-N 391.371 -0.162 30 20 GBED N#CCCN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccccn1 1323562265 TVUUQEQCKADLBJ-CQSZACIVSA-N 379.442 -0.190 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCO[C@H](C#N)C3)C2=O)cc1 1325270618 JPHQDNAQTZAUDT-CVEARBPZSA-N 381.392 -0.079 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)NC)s1)[C@H]1CCCO1 1325472954 DFKVSXKJQSYLRT-VXGBXAGGSA-N 385.467 -0.431 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)[C@@H](CO)c1ccc(OC)cc1 1329801594 MRVUMDGVKUOVAV-HNNXBMFYSA-N 384.454 -0.096 30 20 GBED CN(CCCO)C1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1330453665 KQEKJBOWVTWGHK-QGZVFWFLSA-N 377.489 -0.510 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 1347567453 MJGAIPMRGJJYRY-CHWSQXEVSA-N 378.429 -0.373 30 20 GBED C[C@H](C#N)C(=O)NC[C@@H]1CCC2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)O1 1573577784 SPFIFTFGEWCDRW-PWSUYJOCSA-N 384.400 -0.156 30 20 GBED C#CCCNCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OCc2cnn[nH]2)C1 1574895314 QTJRXPMUGIHVPU-HUUCEWRRSA-N 376.461 -0.323 30 20 GBED C[C@@H](C#N)C(=O)N1CCCC[C@H]1CN(C)C(=O)CC(=O)NCc1cnn[nH]1 1575175559 BKTBCRABMMPULS-JSGCOSHPSA-N 375.433 -0.190 30 20 GBED COCC#CCNC[C@H](O)CN(C)C(=O)C1CCN(Cc2cnn[nH]2)CC1 1576953995 UIWUBYJRBYLSCF-KRWDZBQOSA-N 378.477 -0.925 30 20 GBED C#CCN(CC(=O)O)C(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 1588402275 PLKNCRUDTDUPDJ-UHFFFAOYSA-N 387.439 -0.791 30 20 GBED CCOC(=O)C1CCN(C(=O)CN(C)c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1590757234 HYKDJUJHNBGPCT-UHFFFAOYSA-N 399.415 -0.234 30 20 GBED N#CCSCC(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[nH]n2)C[C@@H]1O 1592679695 ZNQLHJZVDBMXDO-PWSUYJOCSA-N 377.405 -0.072 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(C)c(-c3nn[nH]n3)cn2)CC1 1602722295 KSYXKQKXKDXUOZ-UHFFFAOYSA-N 396.411 -0.503 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccn4ccnc4c3)C2)C1 1778571127 WELHEVCOGCFJSJ-LJQANCHMSA-N 382.376 -0.134 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CC(=O)C3)C[C@@H]21 1783535839 VKLRZRVHQSUINW-VYOOZTROSA-N 389.452 -0.196 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CSCC(=O)O)C2)C1 1783951476 BOLATUIZFLAHRN-DYVFJYSZSA-N 384.454 -0.328 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccn(C)n3)[C@H]2C1 1787045173 NGVQXSLHUVQRKZ-FZCLSBEQSA-N 388.468 -0.019 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(N)=O 1793430478 KBJJXZJPERTYEH-JAAXMTQOSA-N 381.473 -0.339 30 20 GBED CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](S)C(C)C)C2)C(=O)O 1795640690 BXOIIPFSABZDAE-CUZKYEQNSA-N 387.502 -0.407 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2ccc(O)nn2)CC1 1800205332 WVNWHXVDYUCLFZ-DRXBFXEBSA-N 387.396 -0.546 30 20 GBED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1 1801434075 FMNCSBRPQQPHOX-HPCHECBXSA-N 382.490 -0.222 30 20 GBED C[C@H](CC(N)=O)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812873522 MCQZQZLTYUHQCP-DFHBCGBQSA-N 386.408 -0.313 30 20 GBED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(O)O)CCO3)cc1 1830402932 IKBZBOZHQFTWJH-LJQANCHMSA-N 389.408 -0.867 30 20 GBED CN(C)C(=O)NCC(=O)NC1CCN(C2CCN(C(=O)CC#N)CC2)CC1 1833142601 BRLACJBCBAKEQW-UHFFFAOYSA-N 378.477 -0.257 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4CCC(=O)N4)CCO3)C2)CC1 1835119704 WECDKYBCYCLCSQ-SCLBCKFNSA-N 376.413 -0.975 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)C)CCO2)C1 1835880399 ROQNARYHICAFSW-FXAWDEMLSA-N 395.500 -0.131 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1837772313 WODGAKACOSEWFO-SFHVURJKSA-N 395.362 -0.053 30 20 GBED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1)n1ccnn1 1839707407 SPXUDWLDRSKEFY-YOEHRIQHSA-N 376.417 -0.401 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1840170393 CICZZACDPOBNEJ-JXFKEZNVSA-N 391.468 -0.228 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCn1ccnn1)CCO2 1840446633 DYMHAEZACWTVPE-QGZVFWFLSA-N 376.417 -0.572 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](CNC(C)=O)C2)c1=O 67382594 UUNUSIGDSCGOPQ-OAHLLOKOSA-N 377.445 -0.651 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CC[C@H](NC(=O)NC2CC2)C1)c1cc[nH]n1 278461078 HHVNTTQNTHXENO-MLIMZQRQSA-N 392.416 -0.244 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)NC(C)C)c1 299406560 OEEQQMKGALHNGP-UHFFFAOYSA-N 387.483 -0.344 30 20 GBED CN(C1CC(O)C1)S(=O)(=O)c1ccccc1S(=O)(=O)N(CC#N)CC#N 349480671 LDVRKYSXLHCTFU-UHFFFAOYSA-N 398.466 -0.132 30 20 GBED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 349492024 KOBMGYWMSQZQRT-AJNGGQMLSA-N 393.531 -0.123 30 20 GBED CN1CC[C@]2(CCN(S(=O)(=O)CCCCS(=O)(=O)NCC#N)C2)C1 349600863 NEUXUOXKHZSQCR-AWEZNQCLSA-N 378.520 -0.433 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCc2c[nH]nc2C1 349613194 JXPLINGGRFDPHA-JQWIXIFHSA-N 375.476 -0.592 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCCS(=O)(=O)NCc2ccccc2)CCO1 409552459 CJSTTZFHSKEGGF-CQSZACIVSA-N 388.471 -0.835 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@H]3CNCCCO3)C2=O)cc1 418899587 BXOQKSGRTJDTHZ-SJORKVTESA-N 399.451 -0.335 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCC(=O)N(C)C1=O 425096997 XVJVGZQZGYXNOZ-GXFFZTMASA-N 378.410 -0.511 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)c3ccnc(S(N)(=O)=O)c3)CC2)c1C#N 473001544 QKXLIPVWWCYHQG-UHFFFAOYSA-N 389.441 -0.395 30 20 GBED N#CCNC(=O)CNC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 570651849 TUXHIRZDIFHHMX-UHFFFAOYSA-N 378.454 -0.010 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)CC1 590991450 OBNOEYJTHBYSHE-KCEFYPGHSA-N 381.436 -0.170 30 20 GBED CN(C)S(=O)(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 597560747 BIFACNXPFBGPTQ-CQSZACIVSA-N 379.442 -0.829 30 20 GBED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC(N)=O 608911979 KCXRVTXSYKTLAI-UHFFFAOYSA-N 385.449 -0.935 30 20 GBED O=C(NCC#CCNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)[C@H]1CC(=O)N(C2CC2)C1 681338652 FBNMRWBAKUFSRE-OKILXGFUSA-N 386.452 -0.756 30 20 GBED C#CCNC(=O)CN1CCN(CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 735381706 PQBFQTLBIWCDAZ-UHFFFAOYSA-N 396.455 -0.438 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 758085221 GEDYSGOOOHPKPE-GWCFXTLKSA-N 388.829 -0.340 30 20 GBED C#C[C@H](NC(=O)C(=O)NC1CCN(S(=O)(=O)CCC)CC1)[C@H]1CCCO1 787093565 LOCOLLUKDZVUBN-LSDHHAIUSA-N 385.486 -0.396 30 20 GBED C=CCOC[C@@H](NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)C(=O)OC 797682505 SOVGXBUPZIBRLX-CYBMUJFWSA-N 395.437 -0.072 30 20 GBED CS(=O)(=O)[C@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 800630663 NGDFHYVXJXOBJB-NSHDSACASA-N 385.467 -0.239 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 802593623 MGXSPQZVTSIKAP-UHFFFAOYSA-N 383.401 -0.027 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 826769415 LTWKHHSUELBRJU-UHFFFAOYSA-N 387.484 -0.052 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 831560758 HODCSDQHFUPSAB-OAHLLOKOSA-N 398.529 -0.117 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 832574252 HGEHDGIQQQHYHO-CHWSQXEVSA-N 392.478 -0.337 30 20 GBED C=C[C@H](CO)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@H](C=C)CO 856275431 CWYDZXIXHQFRRE-KBXIAJHMSA-N 397.472 -0.204 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)nc2F)CC1 872515193 IFOKFZFZBJMECT-UHFFFAOYSA-N 380.398 -0.866 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 875599031 NRFXQAKMIYCQGT-IAGOWNOFSA-N 392.500 -0.314 30 20 GBED N#Cc1ccccc1OCC(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 916461069 XCOMWCJUDWTXFH-GFCCVEGCSA-N 395.393 -0.507 30 20 GBED CO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 942533788 PZTDUWWPGTXDBC-RAEVTNRLSA-N 375.429 -0.439 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1OC 946819076 XFOAXRTWYZLSSN-REBRKWNGSA-N 376.413 -0.340 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)C[C@@H]1O 970702457 SBGSDSRPSIABIU-RZFFKMDDSA-N 376.413 -0.844 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1C(=O)CN(C)C1=O 1006384111 FUTFLHXOXPZASB-ZSAUSMIDSA-N 390.440 -0.280 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(CN(C)C)on2)C[C@H]1O 1025711266 LZMVAYXWNVFKCF-MIGQKNRLSA-N 378.429 -0.371 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)nn1 1025764856 GVBQDHBPAPRDST-DSJMHWKBSA-N 385.428 -0.697 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2nnc3n2CCOC3)C[C@H]1O 1077822113 ZPYGHKQSWUTHCM-CFAJVAMVSA-N 377.445 -0.549 30 20 GBED C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)CN1C(=O)CCC1=O 1109270582 NGFJJQBETIIHHD-WCVJEAGWSA-N 377.441 -0.742 30 20 GBED C=CCn1cc(CNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)nn1 1118105986 NYGYTFMREVXZBP-UHFFFAOYSA-N 392.441 -0.064 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2CC)C[C@H]1c1cn(C)cn1 1130630042 CIYRUEPRCRVEJH-ATLSCFEFSA-N 387.484 -0.131 30 20 GBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1184483950 YNYMSDXULLZFCH-KNCOVGOOSA-N 380.445 -0.760 30 20 GBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 1220048149 NDNJVYAHUOXNIM-ABFRBSLYSA-N 377.391 -0.021 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC([C@@H]3C[C@@H](N)CCO3)CC2)nn1 1261435561 YOFAHLSMYRYDDB-HOCLYGCPSA-N 376.461 -0.175 30 20 GBED CN1CCN(CCNC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1(C)C 1261924932 IMRGIVQKCACMFK-MRXNPFEDSA-N 376.505 -0.673 30 20 GBED CNC(=O)CCCNC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1322265915 XNDUPNLTHIHTBD-UHFFFAOYSA-N 375.404 -0.012 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)C1 1326546362 DJKACFLLOAJZTI-OXJNMPFZSA-N 399.451 -0.766 30 20 GBED C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1326661470 SOWFEZSVFAMYQM-HOTGVXAUSA-N 386.456 -0.541 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CC[C@H](F)C3)CC2)cc1 1326839754 BPBZCXBJOZEFAM-AWEZNQCLSA-N 394.428 -0.038 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2CCS(=O)(=O)CC2)CC1 1326912689 YYAGRIDUVUMETO-UHFFFAOYSA-N 394.428 -0.397 30 20 GBED COC(=O)c1c(F)ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1F 1329981531 TXLHNQCFSGNIRM-UHFFFAOYSA-N 378.295 -0.031 30 20 GBED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@@H](C#N)C2)CC1 1335544908 WHZMFPSGBKBXFY-HOTGVXAUSA-N 375.473 -0.096 30 20 GBED C#CCCCCNC(=O)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 1342365927 WJHLZNONUGXUAD-UHFFFAOYSA-N 395.485 -0.391 30 20 GBED CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)c1 1349211944 MQAKMSHVJKIWND-SJKOYZFVSA-N 394.453 -0.351 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(c2cncc(-c3nn[nH]n3)n2)CCCO1 1573286547 DSGZAEWTWCOBTJ-OLZOCXBDSA-N 386.416 -0.594 30 20 GBED C=CCC1(C(=O)N[C@H]2[C@@H]3CN(CC(=O)NCc4cnn[nH]4)C[C@@H]32)CCOCC1 1575085864 REWSMIDIPIOQFJ-QLPKVWCKSA-N 388.472 -0.160 30 20 GBED N#Cc1cccnc1N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1581876066 DICAVAAIZJRCFZ-QGZVFWFLSA-N 379.384 -0.167 30 20 GBED N#Cc1cn(C2CN(C(=O)Cc3ccc(-c4nn[nH]n4)cc3)C2)c(=O)nc1O 1581876874 KJXGSBJTYYKAQP-UHFFFAOYSA-N 378.352 -0.373 30 20 GBED C#Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cn1 1588368261 RWSXXNBUNJKUJG-GFCCVEGCSA-N 380.368 -0.908 30 20 GBED C=CCOC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)O 1588850964 MCNQALGJEFGJSY-SMDDNHRTSA-N 381.410 -0.003 30 20 GBED O=C(C#CC1CC1)N1CC[C@]2(C1)CN(c1cncc(-c3nn[nH]n3)n1)CCO2 1592766621 PHRWRARBIANILT-GOSISDBHSA-N 380.412 -0.122 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2C(C)=O)C1=O 1602862048 AJKTVMCJFQYKDL-UHFFFAOYSA-N 397.351 -0.015 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCn2cc(C(=O)O)nn2)cc1 1609162352 XAMAMJLPSJMHPL-UHFFFAOYSA-N 377.382 -0.682 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)NC[C@H](CO)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1756527302 DZTYQOUMXZZSHG-SYQHCUMBSA-N 382.461 -0.589 30 20 GBED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1 1781317403 MBDFJKZMUNTTDN-SKTBVBMLSA-N 399.444 -0.646 30 20 GBED CN1CCN(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)CC1 1786727595 QSOOFUBLYPSKMA-ULQDDVLXSA-N 377.489 -0.483 30 20 GBED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCN1C(=O)C=CC1=O)C2 1793561558 DIPFUKQBNANFOE-JONQDZQNSA-N 387.436 -0.022 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc3nc[nH]c13)C2 1800775811 IBYXYWMZMOZKIV-QHBPRCKVSA-N 383.364 -0.751 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1803544876 YCCXXHCNMHZODM-QGPMSJSTSA-N 397.439 -0.188 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1808259198 PUXKMPIJYFBQHS-MXASKKJJSA-N 375.473 -0.036 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]nc3C)C2)C1 1831397809 XGRJCCVLCZFZKP-HNAYVOBHSA-N 390.440 -0.174 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1834763331 BLDQOMAQFGWDNB-KRWDZBQOSA-N 389.368 -0.842 30 20 GBED N#CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1835762026 AVIIMGWXNMXOIV-LJQANCHMSA-N 393.488 -0.878 30 20 GBED C=CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837254152 UNMBAIWASAHDBB-LIXSYLKWSA-N 377.441 -0.146 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2 1837385248 QDGCZXRNCOKEEJ-KDOFPFPSSA-N 382.461 -0.274 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2 1838071020 HIBPWIXPKOLZSE-GOSISDBHSA-N 376.413 -0.011 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1839226451 PCVYRSXNBUHSEU-RKVPGOIHSA-N 398.460 -0.622 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1839227632 IBKGMOFIKQIYNQ-KDOFPFPSSA-N 398.460 -0.491 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1840162343 UKLSZRLYTCDBBF-SUMWQHHRSA-N 381.454 -0.292 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1840843555 UPPBHVQPDAOBOI-GOSISDBHSA-N 377.397 -0.350 30 20 GBED N#CC1(C(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]cnc4n3)C2)CCC1 1843009765 GZCQELGSWGRLHB-UHFFFAOYSA-N 381.396 -0.072 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCN(C(C)=O)CC1 1847802460 YDSDFPQLQQVOJD-NJAFHUGGSA-N 390.484 -0.609 30 20 GBED CN(CC(=O)N[C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1 26087404 PILPYWYXBHAEMR-OAHLLOKOSA-N 385.467 -0.128 30 20 GBED C=CCN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)[C@H]1CCS(=O)(=O)C1 57238159 YEPABZKEGYPKCJ-ZDUSSCGKSA-N 385.467 -0.314 30 20 GBED COCCN(CC(=O)N(C)C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 268784069 DFHSCVXICPCCAQ-ZDUSSCGKSA-N 396.469 -0.212 30 20 GBED CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)c1c(C#N)c(=O)n(C)c(=O)n1C 281402438 HDSASKZGILQGBT-JSGCOSHPSA-N 389.435 -0.262 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCCN(c2ccn(C)n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c2ccc(C#N)cc2)C1=O)S(N)(=O)=O 409622745 PUSCIRHCMWSFCR-RISCZKNCSA-N 379.442 -0.365 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CCN1Cc1ccccc1 411011109 LAQQQUMKYCPAQG-RCCFBDPRSA-N 395.463 -0.040 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@H]4C(=O)NC[C@H]43)n2)cc1 440166338 AWJABNVDCYXPOR-HUUCEWRRSA-N 393.407 -0.126 30 20 GBED N#Cc1cccc(N2CCN(C(=O)C(=O)N3CC[C@H](N4CCOCC4)C3)CC2)n1 460023704 RPZHGUZHOPSENR-KRWDZBQOSA-N 398.467 -0.465 30 20 GBED N#Cc1ccccc1OC[C@H](O)CN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 528417700 QUMKZRWFFUVUPK-IXDOHACOSA-N 395.481 -0.615 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(CS(N)(=O)=O)CC2)CC1 540348488 PVWWVQJHKHVSJE-INIZCTEOSA-N 385.534 -0.321 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@@H](C(=O)O)[C@H](O)Cc1ccccc1 565055113 PLTIAYIREPNPIV-HUUCEWRRSA-N 385.442 -0.260 30 20 GBED CC(=O)N1CC(NS(=O)(=O)c2cccc(S(=O)(=O)N[C@@H](C)C#N)c2)C1 568294831 FAWHPHGOQOFGSX-JTQLQIEISA-N 386.455 -0.614 30 20 GBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 592931014 SJVUYDASYXYIPW-ZIAGYGMSSA-N 395.437 -0.207 30 20 GBED CN1CCN(c2ncccc2CNC(=O)C(=O)N2CCN(CCC#N)CC2)CC1 602238207 ORUHTVNOEDNAGS-UHFFFAOYSA-N 399.499 -0.493 30 20 GBED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 610704729 KRPQGIZXLVZULB-CJNGLKHVSA-N 399.455 -0.488 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)cc1 617872892 RSCNLCGTWUWRNN-UONOGXRCSA-N 388.467 -0.307 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 728589634 JJEZUFRDPGRDLL-UHFFFAOYSA-N 392.437 -0.927 30 20 GBED N#Cc1ccc(N2CC[C@H](OC(=O)Cn3cc(S(N)(=O)=O)cn3)C2=O)cc1 748427946 QZWKFYCHRYAHRY-AWEZNQCLSA-N 389.393 -0.249 30 20 GBED CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nn1 756887484 SSEJCFMVDAXOCU-RYUDHWBXSA-N 391.432 -0.145 30 20 GBED CN(C(=O)COC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(C)(C)C#N 792638141 MLCPBUYMTLMMDF-UHFFFAOYSA-N 390.400 -0.872 30 20 GBED Cn1cc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(=O)n(C)c1=O 792660225 CAUJLUBHUYKVKQ-HNNXBMFYSA-N 381.392 -0.513 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CN(C(=O)OC(C)(C)C)C2)C1=O 804748148 GJQBGLAIWJGHHR-CYBMUJFWSA-N 380.445 -0.033 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 949503006 BLOJIXKVTPBOOF-VQHPVUNQSA-N 392.500 -0.295 30 20 GBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c(C#N)c1 960270620 UVNREAMZJXGHOU-FXUDXRNXSA-N 385.424 -0.338 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cccc(C(=O)NC)n2)C1 969690997 DNXYBWLMUJEGCK-FWYOQMDTSA-N 388.424 -0.666 30 20 GBED C#CCN1CCC(C(=O)N2CC(NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)CC1 997643354 GWZWGARMIFQYOF-RYQLBKOJSA-N 375.469 -0.290 30 20 GBED CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 1093051285 YRXIQMLPKHFGQV-UPJWGTAASA-N 378.458 -0.098 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C)OCCOC 1111091968 DTVJQLBEYKSFQM-YJNKXOJESA-N 382.461 -0.229 30 20 GBED C=CCN(C(=O)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)[C@@H](C)COC 1118639887 UFXMWCAKXWZBSO-LXIYXOSZSA-N 380.445 -0.127 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1OC 1213462640 ITYVHSXKQGUFLF-APIJFGDWSA-N 375.491 -0.716 30 20 GBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 1220325097 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GBED Cc1nc(N2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)ccc1-c1nn[nH]n1 1581483404 ZERXPHAWMFBENT-ZIAGYGMSSA-N 379.384 -0.251 30 20 GBED CN(CCOCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)c1ccc(C#N)[nH]1 1591110904 VGKUZFDYBHZCPZ-UHFFFAOYSA-N 397.399 -0.087 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)c(C)c2)CC1 1602727159 VUNSPXMYQXQAHO-UHFFFAOYSA-N 375.458 -0.240 30 20 GBED C=CCOCCCNC(=O)N1CC(n2cc(-c3nn[nH]n3)c(O)nc2=O)C1 1602871304 PODCQMUAMLLIRI-UHFFFAOYSA-N 376.377 -0.712 30 20 GBED COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1619919557 ZNJAMXVJSGTNSX-OLZOCXBDSA-N 386.478 -0.004 30 20 GBED O=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)CN1 1779020862 CYDHMGDBKLOBHR-YTQMAXDRSA-N 391.472 -0.576 30 20 GBED C[C@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1781248573 YYXXSHGZDIGIFD-FZTBZWDOSA-N 396.444 -0.520 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccn3ccnc13)CCO2 1783563810 ALGBRNXLCCDNFP-IBGZPJMESA-N 382.376 -0.134 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784593015 VSDVZSHHINQPHW-JJRVBVJISA-N 376.417 -0.898 30 20 GBED C[C@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797783151 FWESICSPQODIIO-XLMAVXFVSA-N 377.485 -0.131 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc[nH]c3C1)C2 1800781047 FTBIQOGYCZNQEJ-JWXAPSBJSA-N 386.408 -0.808 30 20 GBED C#CC(=O)N1CC[C@@H](CNC(=O)Cn2cc(C)c(O)nc2=O)[C@@H]1c1cccnc1 1814037758 OEFGSPPCKDBXHZ-YJBOKZPZSA-N 395.419 -0.008 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200960 SRDBKVJKRDQJOV-CMPLNLGQSA-N 390.400 -0.063 30 20 GBED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)[C@@H]4CNC(=O)C4)CC3)CC2)CC1 1834604424 PPJJYZNQOGZVRB-AWEZNQCLSA-N 387.484 -0.002 30 20 GBED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835575483 RUCZTRRIROXYFO-HNAYVOBHSA-N 393.488 -0.306 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)ccn1C)CCO2 1838537787 ZLEMFKXPPVCCMU-FQEVSTJZSA-N 387.436 -0.131 30 20 GBED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839213928 IAYKCQINIALYBX-LIRRHRJNSA-N 390.440 -0.633 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1840170711 VQKBNJSEVSDAIG-CRAIPNDOSA-N 390.444 -0.506 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)C1=O 281388039 OCACRVLHEODIRV-CWRNSKLLSA-N 375.429 -0.436 30 20 GBED CN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 298310339 RFLUKQCPGUPQFS-AWEZNQCLSA-N 376.438 -0.131 30 20 GBED CO[C@@H]1[C@H]2C[C@@H]3CN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)[C@@H]1[C@H]3C2 349480008 MERAQMWJGKOIKW-XPABHHOTSA-N 391.515 -0.153 30 20 GBED CN(C1(C#N)CCC1)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1C(N)=O 349498676 DAVDBVJOHCTNEZ-GFCCVEGCSA-N 392.503 -0.636 30 20 GBED CN(C)CCn1ccc(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)n1 364813528 ARWJAROUXXZJPM-UHFFFAOYSA-N 382.424 0.545 30 20 GBED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NC[C@H](O)CN2CCOCC2)c1 365123561 HJPAWSGGEOKYKD-ZWKOTPCHSA-N 386.452 -0.141 30 20 GBED C[C@H](C(=O)N(C)CCC#N)N1CCN([C@H](C)C(=O)N(C)CCC#N)CC(O)C1 372292481 BQWZPEAOIBKSST-HZPDHXFCSA-N 392.504 -0.514 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C)C[C@@H]3CCCN3C)CC2)c1C#N 422119950 PCDAAKUULDVNTK-HNNXBMFYSA-N 387.488 -0.199 30 20 GBED CCOC(=O)[C@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 468784348 BFHMGCVTCQBKMT-BDJLRTHQSA-N 383.426 -0.345 30 20 GBED C=CCNC(=O)NC(=O)CN[C@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C 471020749 VSKIGFDBVSAVNG-INIZCTEOSA-N 391.476 -0.191 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cnn(CC(N)=O)c1 480793528 FNPQYOZQFBYRDI-JTQLQIEISA-N 376.398 -0.454 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)COC)cc1 523119159 QYEDDBPAHDBGCD-KRWDZBQOSA-N 399.469 -0.055 30 20 GBED N#Cc1ccccc1OC[C@H](O)CN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 528417697 QUMKZRWFFUVUPK-IKGGRYGDSA-N 395.481 -0.615 30 20 GBED C=CCNc1nnc(S(=O)(=O)[C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)s1 555468860 FZRCPRAEEGHONK-NXEZZACHSA-N 387.487 0.022 30 20 GBED CN1CC[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)NC2(C#N)CC2)C1=O 567520945 KXWOQDLUPDKPCP-NSHDSACASA-N 398.466 -0.470 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCn2nccc21 570294776 VNVWZWOPMLALOM-LBPRGKRZSA-N 375.476 -0.156 30 20 GBED COC(=O)[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H](C)O1 593837901 URHMJKRJYXWVKM-FZMZJTMJSA-N 381.410 -0.375 30 20 GBED N#Cc1cccc(CN2CCC(NC(=O)C(=O)NC[C@@H]3CNC(=O)C3)CC2)c1 593931699 PNSKACNNKXRFQO-INIZCTEOSA-N 383.452 -0.109 30 20 GBED CN(C)S(=O)(=O)N1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 603557406 QEUCHIMQKSEVOX-MRXNPFEDSA-N 382.486 -0.084 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)COc1ccccc1C#N 619874379 FAJYNUMJNJCMPW-AWEZNQCLSA-N 375.381 -0.156 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)C1=O 672640243 UMHKEKUNHNXMNF-RDJZCZTQSA-N 391.516 -0.484 30 20 GBED COC(=O)[C@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 728537767 AUGHOZVQCLYDQJ-CYBMUJFWSA-N 395.437 -0.094 30 20 GBED CC(C)[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(N)=O 767638743 WTEMDWRVPNIXSA-GWCFXTLKSA-N 396.425 -0.012 30 20 GBED C[C@@H](CC(=O)OCCN1CCOCC1=O)/N=C1/NS(=O)(=O)c2ccccc21 785310286 MRWSGOWSXWZJSZ-LBPRGKRZSA-N 395.437 -0.094 30 20 GBED N#Cc1nc(F)ccc1OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 808045031 OVRJOXCSYNAAMQ-LBPRGKRZSA-N 382.417 -0.198 30 20 GBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 818150004 MUFZAUIPZZEAEV-HUUCEWRRSA-N 387.488 -0.190 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H](C)CC)C2)CC1 831561051 ORUHAARTDGEJGO-HZPDHXFCSA-N 398.529 -0.117 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cccc(C(=O)O)c2)CC1 833365218 DYEMHKIZHVTPIQ-UHFFFAOYSA-N 380.426 -0.592 30 20 GBED N#C[C@@H]1CNC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 834493582 FMNPWOXRVKJROY-IAQYHMDHSA-N 382.417 -0.312 30 20 GBED N#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N1CCC2(C1)OCCO2 848960078 ZDNUHDLXJVAZOP-UHFFFAOYSA-N 393.487 -0.527 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)NCC(=O)OC)cc1 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N#CCNC(=O)CNC1CC2(C1)CC(NC(=O)[C@@H]1OC[C@@H]3COCC[C@@H]31)C2 1121457781 HYNOUIKNGQDERG-WDVOTGOHSA-N 376.457 -0.305 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2CC)[C@H](OC)C1 1213198351 ZPRZAEMEQCIELD-APIJFGDWSA-N 382.461 -0.371 30 20 GBED C=CCNC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)[C@@H]2C1 1221627074 DIDMHVURNROAFJ-NHIYQJMISA-N 380.445 -0.665 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@@H]1CCN(C2CC2)C1 1257472880 OZXUIMRAEJNPIT-UONOGXRCSA-N 383.456 -0.262 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)CCO1 1261611189 KLRSEHYUIUPXPN-KSZLIROESA-N 384.436 -0.151 30 20 GBED CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1299313401 ZYWGWWIQPZYKDJ-GFCCVEGCSA-N 381.462 -0.482 30 20 GBED N#Cc1ccc(NC(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 1319638599 ZTWYUKZHIBARSX-JKSUJKDBSA-N 378.454 -0.728 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C[C@H]3COC(=O)C3)CC2)o1 1319795407 CRGCHUBKCBNOGM-LBPRGKRZSA-N 376.369 0.000 30 20 GBED CC(C)NS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(OCC#N)cc1 1322463802 KYXCBEFFYYEBJF-UHFFFAOYSA-N 382.442 -0.351 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N(C)CCN1CCCC1 1325401355 OMPBLTVNEDNNJS-OAHLLOKOSA-N 385.472 -0.060 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)nn1 1325927144 YCQVSBYFZLOBAJ-KRWDZBQOSA-N 394.501 -0.596 30 20 GBED C#CCNC(=O)C1CCN(C(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 1327166513 CKZPZOIWTFYEEI-MUIFIZLQSA-N 387.436 -0.473 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c1cccs1)[C@H]1CCCO1 1329626998 SHBCHOQSZSDCDS-NWDGAFQWSA-N 385.467 -0.560 30 20 GBED COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1 1332874661 DMNUTGHEWNTNTL-INIZCTEOSA-N 389.408 -0.044 30 20 GBED C=CCOCCNC(=O)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 1333837243 KGRXGAVRRZTATQ-UHFFFAOYSA-N 387.433 -0.119 30 20 GBED CCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 1334302417 GBLGFWMFOCAVGL-GJZGRUSLSA-N 385.472 -0.014 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CCC[C@@H]2C2OCCO2)CC1 1336523129 WFUQOUDZAPDKAS-OAHLLOKOSA-N 385.424 -0.034 30 20 GBED C=CCOCCNC(=O)C(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C 1346715177 RLAMLVGLSNHCQS-CQSZACIVSA-N 384.477 -0.028 30 20 GBED C=CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 1350531224 UAYPXHYJJMTDTL-CYBMUJFWSA-N 397.505 -0.662 30 20 GBED C[C@H](C#N)C(=O)N1CCC(N(Cc2cnn[nH]2)C(=O)C2(NC(N)=O)CC2)CC1 1575176366 GDDMAWQKOBRUNV-LLVKDONJSA-N 388.432 -0.515 30 20 GBED N#CCNC(=O)CN1CC[C@]2(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCC[C@H]12 1581857752 IBBZRUIUVOPAKC-SUMWQHHRSA-N 383.416 -0.439 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)NCCN(C)c1ccc(-c2nn[nH]n2)nn1 1588658182 AUCDHPYMLUIHFQ-UHFFFAOYSA-N 388.436 -0.527 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCc2ccc(-c3nn[nH]n3)cc2)CCN1C1CC1 1592673322 XHLDXFCIJUUUPH-HNNXBMFYSA-N 380.412 -0.318 30 20 GBED C#CCOCCC(=O)NC1(CO)CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 1602729353 PIMLMUHQHNSMNH-UHFFFAOYSA-N 385.428 -0.251 30 20 GBED N#Cc1cc(C(=O)N2C[C@H]3[C@H](NC(=O)c4ccc(-c5nn[nH]n5)[nH]4)[C@H]3C2)c[nH]1 1606359852 GGKWIBPYIGKISI-YABSGUDNSA-N 377.368 -0.105 30 20 GBED N#Cc1cc(C(=O)O)cn(CC(=O)N2CCN(C(=O)c3ccco3)CC2)c1=O 1610625329 NNVGNLZBSIPKTI-UHFFFAOYSA-N 384.348 -0.004 30 20 GBED N#CCc1ccccc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1653894426 OLLOVWUMUGBYKU-HUUCEWRRSA-N 399.494 -0.471 30 20 GBED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)CC(C)(C)CC#N 1660318172 ZFIJPIRALMQLJN-LBPRGKRZSA-N 379.504 -0.119 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779872709 DENAEVULISOAJL-SFHVURJKSA-N 386.412 -0.431 30 20 GBED Nc1ncc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)s1 1782010300 JGSWDMKWPBWTSZ-SJKOYZFVSA-N 392.437 -0.059 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=S)NCC)C2)C1 1782640449 REULCZPJXOTQSG-KBXCAEBGSA-N 398.529 -0.109 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn3ncccc3n1)CCO2 1783561918 PVRCWVXTRAAFQT-GOSISDBHSA-N 383.364 -0.739 30 20 GBED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(O)O)C3)c(O)n1 1794487854 QMXDHOHRYCGMPZ-JJLQDPRZSA-N 391.424 -0.580 30 20 GBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1795418404 ODACKNYFACVZDF-JJLQDPRZSA-N 384.396 -0.058 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N(C)C(C)=O 1796452249 YYKXHWGAKBWFBD-PEHHYFEISA-N 379.457 -0.519 30 20 GBED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(O)C1)C2 1797810006 JVQKPUNFVINMCP-MXHGBOKSSA-N 395.456 -0.124 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1800451220 SQONCOVBCONPFR-DRXBFXEBSA-N 377.422 -0.679 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=COCC1 1801543501 CQYPQIAAJJOATR-YSWFFHECSA-N 375.425 -0.261 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CC)CCO2 1830527070 ZPMIVUYOLJESHV-BEFAXECRSA-N 398.456 -0.277 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831433098 GGVRKKIGSVRUNK-KDOFPFPSSA-N 380.397 -0.878 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCOCC1)CCO2 1835399898 PNZAHGPJFAYTOT-LJQANCHMSA-N 379.457 -0.812 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839875475 NFGCNDVHQQMLAA-UGSOOPFHSA-N 380.445 -0.483 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)nc3cccnn13)C2 1841601285 JQLOFYUIRITYBH-CQSZACIVSA-N 395.419 -0.055 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)CCc1nc(N)n[nH]1)C2 1842920242 HXHXSIHJLLWAFD-UHFFFAOYSA-N 388.476 -0.195 30 20 GBED N#Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)CC[C@@H](N)C(N)=O)C2)cc1 1842942439 CEBAQKDVGDSBPI-MRXNPFEDSA-N 383.452 -0.103 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCN2CCN(C(C)=O)CC2)c1 46823120 ZMFBQZMWLFPOCZ-UHFFFAOYSA-N 392.481 -0.508 30 20 GBED CCN(CC)CC#C[C@H](C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 121543124 NGKMCFRUAKOXFS-ZDUSSCGKSA-N 375.429 -0.289 30 20 GBED N#Cc1cc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)ccc1F 264127092 WIXYHJSLNSIBKE-UHFFFAOYSA-N 396.444 -0.138 30 20 GBED COC(=O)CN(CCN1CCOCC1)C(=O)CNC(=O)c1ccc(C#N)cc1 265380968 KFVULVVPKCHAPD-UHFFFAOYSA-N 388.424 -0.378 30 20 GBED CC(=O)NC[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCO1 268829099 LXRCILKGZAIZQU-DOMZBBRYSA-N 394.453 -0.411 30 20 GBED CCOC(=O)N1CCC(NC(=O)Cn2c(=O)c(C#N)cn(CC)c2=O)CC1 294812739 FZKMEJBJDGCWGO-UHFFFAOYSA-N 377.401 -0.361 30 20 GBED O=C(C/N=C(/O)N1CCN(CC(=O)N2CCCCCC2)CC1)N1CCOCC1 329200541 BLVNMHJHALDLNE-UHFFFAOYSA-N 395.504 -0.221 30 20 GBED C[C@H](/N=C(/O)Nc1cnn(CC(=O)N2CCOCC2)c1)C(=O)N1CCOCC1 329929746 NUBIMFKYXFRDLM-ZDUSSCGKSA-N 394.432 -0.685 30 20 GBED C/N=C(/O)CN1CCN(C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 329946199 GFSLBHMCIQSPCQ-UHFFFAOYSA-N 379.465 -0.049 30 20 GBED CC(=O)N1CCN(C(=O)C/N=C(/O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 330526998 KMRFNIJTPMUDRS-UHFFFAOYSA-N 396.469 -0.068 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCCO2)nc1 349596779 ANKJAPMTMLPIIZ-CYBMUJFWSA-N 388.471 0.183 30 20 GBED C=CCN1C(=O)C(=O)N(Cc2nc(CC(=O)N3C[C@H](C)O[C@H](C)C3)no2)C1=O 350774278 DFWNSGMNXANQCF-PHIMTYICSA-N 391.384 -0.275 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCc2ccccc2CN2CC[C@H](O)C2)CCO1 409491415 OZKOSZKGGYKHDZ-DLBZAZTESA-N 380.470 -0.188 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 410132144 BSSYPLWRBHDISM-KBPBESRZSA-N 396.535 -0.209 30 20 GBED N#Cc1cccc(N2CCN(C(=O)C(=O)N3[C@H]4CC[C@H]3CC(=O)NC4)CC2)n1 410753772 FICCPZBEZDHSMF-GJZGRUSLSA-N 382.424 -0.519 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@H](C)[C@@H](CN)C3)CC2)c1C#N 423452758 WVYVZAFTOMXTJZ-ZFWWWQNUSA-N 387.488 -0.308 30 20 GBED C[C@H]1CN(CCNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCO1 531406141 UCHQLKVFMIYYHO-AWEZNQCLSA-N 397.439 -0.027 30 20 GBED Cc1c(C#N)cccc1NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 558531402 CELANWMPIWJKDF-UHFFFAOYSA-N 396.407 0.499 30 20 GBED C[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 563426151 GSZPHQJOULDCPT-OLZOCXBDSA-N 398.466 -0.132 30 20 GBED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCCNC2=O)c1 566487789 DSQTZVCXRVKXJD-CYBMUJFWSA-N 386.455 -0.565 30 20 GBED COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 592323329 NQSCHSXVRPISMS-RYUDHWBXSA-N 398.379 -0.540 30 20 GBED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N(C)CCCc1[nH]nc(N)c1C#N 611405943 MZUBVBPVOWVIPA-CQSZACIVSA-N 375.433 -0.618 30 20 GBED C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 612270050 MWTZKSFFRZWFOW-SFHVURJKSA-N 388.428 -0.167 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 613260825 JHZZNPVOLDMWBK-MRXNPFEDSA-N 390.465 -0.381 30 20 GBED CC#CC[C@H](CO)NC(=O)[C@H]1[C@@H](C)CC(=O)C[C@H]1C(=O)N[C@@H](CO)CC#CC 649181915 LKAYYAWEVXAFOJ-SGFSRKTBSA-N 390.480 -0.001 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)CC1 728530721 PKIUMIVPKXOPFK-CQSZACIVSA-N 389.456 -0.867 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(C(=O)C(C)C)CC2)c1=O 738087427 YIQXTKIFAAULBP-UHFFFAOYSA-N 391.472 -0.309 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C#N)cs2)c1=O 758054491 YYKIRTGYPXUGBW-UHFFFAOYSA-N 398.469 -0.258 30 20 GBED CN(C(=O)COC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(C)(C)C#N 785662715 MBJIAMZBQJGWQE-AWEZNQCLSA-N 380.445 -0.529 30 20 GBED COC(=O)COCC(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 803806343 JZODZHNGLFMCLX-UHFFFAOYSA-N 380.357 -0.764 30 20 GBED COC(=O)Cn1cc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)cn1 805092409 FGKGYNASVMMCHR-UHFFFAOYSA-N 390.425 -0.166 30 20 GBED CN(C)S(=O)(=O)CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 812196438 QIJIGBJTDHOHOO-NEPJUHHUSA-N 389.478 -0.064 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](O)[C@@H](C)c2ccccc2F)CC1 831585752 ZMOUGGFOSGVZHH-XJKSGUPXSA-N 383.445 -0.098 30 20 GBED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCNCC1 832409768 MXYHJBPMAIIKLB-UHFFFAOYSA-N 393.469 -0.947 30 20 GBED C#CC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 854547956 MKVNEAQTQCHRMA-MRXNPFEDSA-N 393.465 -0.347 30 20 GBED C#CCn1ccc(CN(CC)CC(=O)NC2CCN(S(C)(=O)=O)CC2)n1 878526257 NTXZRVGJXNAADN-UHFFFAOYSA-N 381.502 -0.122 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 883563771 XUOOCVVHXZSHFX-MRXNPFEDSA-N 388.534 -0.317 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cn3c(C)cccc3n2)CC1 892936670 KDZFADPORHQOEN-UHFFFAOYSA-N 390.469 -0.062 30 20 GBED C=CCCOCC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 920453459 ALSQRUHQQNEHNI-ZDUSSCGKSA-N 380.488 -0.760 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCOCC1 960267052 OETPTSMSKPDXNR-LTIDMASMSA-N 379.457 -0.652 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)[C@@H]2C1 972746124 XNHGVLUVCUAFFZ-VQHPVUNQSA-N 391.468 -0.114 30 20 GBED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2cnc(C(N)=O)n2)c[nH]1 1003158323 ZDZLQBPYTMZBFZ-UPJWGTAASA-N 382.384 -0.861 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cn1 1006255623 OOEMNQAFGYKPEH-UHDSXZAQSA-N 382.420 -0.043 30 20 GBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C2)nc1 1041386187 URMFWHRRTVLCLE-YFHUEUNASA-N 382.424 -0.079 30 20 GBED Cc1cc(N2CC[C@@H](NC(=O)CCN/C(O)=C3/N=CC=CC3=O)C2=O)n(C)n1 1116184266 IMRIQDJBJNIJMR-WGKGOADCSA-N 386.412 -0.133 30 20 GBED C=CCn1c(CN2CCC(CO)CC2)nnc1N(C)CC(=O)N1CCOCC1 1121533016 NOZNBEJETGKKNN-UHFFFAOYSA-N 392.504 -0.037 30 20 GBED CCCN(C)C(=O)[C@@H]1CSCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1292553207 RZSKVEKHIMOLLI-LBPRGKRZSA-N 379.442 -0.019 30 20 GBED CS(=O)(=O)N1CC[C@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1319445896 DCZLKBGUTQQEBB-OAHLLOKOSA-N 399.494 -0.129 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 1323723245 PZCZTBRSBKJRGE-LLVKDONJSA-N 375.472 -0.232 30 20 GBED COCc1nccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)n1 1330316352 QKSBQLWPBXERSM-UHFFFAOYSA-N 376.417 -0.364 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1)[C@H]1CCCO1 1331366417 BLUKKIHIVICZCI-RWSFTLGLSA-N 375.347 -0.047 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2CC3(CCNCC3)CO2)CC1 1334005893 DUBOUZDSWDZRRP-MRXNPFEDSA-N 390.484 -0.751 30 20 GBED C#Cc1cccc(Cn2nnnc2N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 1334426732 WDABUPGFDQGIOW-UHFFFAOYSA-N 379.424 -0.370 30 20 GBED N#C[C@@]1(F)CCN(C(=O)C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)C1 1353828501 YIQUAMZVKGDDGY-YJBOKZPZSA-N 381.452 -0.637 30 20 GBED C[C@H](C#N)C(=O)N(Cc1cnn[nH]1)C1CCN(C(=O)CS(C)(=O)=O)CC1 1575175555 BJOOGBWZSMBYAU-LLVKDONJSA-N 382.446 -0.671 30 20 GBED C[C@@H](C#N)C(=O)N[C@H](CO)CNC(=O)c1ccc(OCCc2cnn[nH]2)cc1 1575177860 MQANBLYXECCLEG-WFASDCNBSA-N 386.412 -0.207 30 20 GBED C[C@@H](OCc1cnn[nH]1)C(=O)NCCN1CCN(c2ccncc2C#N)CC1 1575878131 QUKUEOMGYODTCS-CQSZACIVSA-N 384.444 -0.085 30 20 GBED Cc1cc(=NCCN(CCO)C(=O)c2ccc(C#N)[nH]2)c(-c2nn[nH]n2)c[nH]1 1581029451 YXXRCVFQDBIIFG-UHFFFAOYSA-N 381.400 -0.262 30 20 GBED N#CCSCC(=O)NC1(CO)CCN(c2ncccc2-c2nn[nH]n2)CC1 1581858549 LOVKREUWMAHHJL-UHFFFAOYSA-N 388.457 -0.034 30 20 GBED C#C[C@H](C)N(C)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1C[C@@H]1CCOC1 1588326688 RXOUCUBOJDICOT-RYUDHWBXSA-N 383.420 -0.408 30 20 GBED C#CC[C@H](NC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1)C(=O)OC 1588334444 XRTGRIKOOJNMEY-ZDUSSCGKSA-N 380.368 -0.071 30 20 GBED C=CCOCCCC(=O)NC[C@]1(O)CCN(c2cnc(-c3nn[nH]n3)cn2)C1 1588681769 GQHTXAMHKQPRMW-QGZVFWFLSA-N 388.432 -0.303 30 20 GBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nn1 1588712755 CNRRMIPYVCARIM-JTQLQIEISA-N 382.388 -0.383 30 20 GBED C#CCOCCC(=O)N(C)C[C@H](O)CN(C)c1ncc(-c2nn[nH]n2)cc1F 1602727283 MJXDHAWHVJGJJP-ZDUSSCGKSA-N 391.407 -0.304 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCCN(CC(=O)O)C1=O 1603470755 OBJVVVIIPOSIKU-CHWSQXEVSA-N 386.412 -0.291 30 20 GBED COC(=O)c1ccc(C(=O)O)cc1S(=O)(=O)N1CCN(C(=O)CC#N)CC1 1606582758 CNPJJKPGGPLQLI-UHFFFAOYSA-N 395.393 -0.082 30 20 GBED N#Cc1ccnc(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 1653632623 MGQRXPMHXSXXNF-OAHLLOKOSA-N 377.470 -0.626 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CNS(=O)(=O)CC)C[C@H]21 1756973127 SGRQTALSOWGCDT-YJNKXOJESA-N 385.486 -0.424 30 20 GBED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 1779139429 SNQMKLGOBASORU-ZKSMDFIPSA-N 399.407 -0.075 30 20 GBED CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1)C(=O)O 1783681741 LCINPNOTLHZUKJ-XUXIUFHCSA-N 380.445 -0.421 30 20 GBED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1783930541 YPJLVEVTHRQIET-RBUKOAKNSA-N 378.425 -0.155 30 20 GBED C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789343213 SQSUACKHUBTYAA-PCBIJLKTSA-N 387.440 -0.009 30 20 GBED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4C[C@H](O)CN4)[C@H]3C2)CCC1 1789766278 GWSPYPVXIFXLPZ-QXKUPLGCSA-N 376.457 -0.617 30 20 GBED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C(O)O)C[C@@H]43)c2c1 1790328354 RYKWLRRFKYVCTP-WHOFXGATSA-N 399.407 -0.661 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(C)CC1 1792549753 QIULKQGDYYRRIY-NRSFXHEJSA-N 377.485 -0.044 30 20 GBED CNC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1793284884 HOHZDYAYUAJDFH-NBPXQOPSSA-N 376.413 -0.576 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCC2 1797443589 WFTKIINGNUMVAK-IVWMJMPLSA-N 386.408 -0.489 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C\C(=O)NC2CC2)c1 1797614738 PERNMJQXUPTJCQ-CNWIRUGESA-N 397.435 -0.076 30 20 GBED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)CCC(N)=O)C3)cc1 1798919930 ADMNAIWQYAAYDQ-DFGXFYAUSA-N 399.451 -0.646 30 20 GBED C[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682753 UZRIFCOJFOBYEL-KBXCAEBGSA-N 382.461 -0.895 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836162471 ZBIWHZXIQCTTLL-SFHVURJKSA-N 375.429 -0.111 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1839809117 RDASKVKLEIBVSM-LJQANCHMSA-N 388.424 -0.372 30 20 GBED CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1839860527 ZMVXOTVJNATMLD-KDOFPFPSSA-N 398.460 -0.620 30 20 GBED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)C[C@@H]3NC(=O)NC3=O)C2)cc1 1841960925 BPGKAIWIVTXVAC-AWEZNQCLSA-N 381.392 -0.027 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](COC)NC(C)=O)C2 1844237195 FMSHLIGQVBKNQI-LSDHHAIUSA-N 381.473 -0.086 30 20 GBED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)[C@@H](N)CCC(N)=O)C2 1846979148 SPJMNRVSYIGJOI-HNNXBMFYSA-N 399.451 -0.267 30 20 GBED COC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1C(=O)OC 266662947 PDWZDUYRPLREMB-NSHDSACASA-N 375.337 -0.051 30 20 GBED COCCN(CCOC)S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 268207789 HDJMKSXGXDUEPM-AWEZNQCLSA-N 398.489 -0.302 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCN(c2nc(N)ns2)CC1 281763884 KLUWNKFJHDCPAN-UHFFFAOYSA-N 375.480 -0.651 30 20 GBED CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 287912196 PUNIGWRPKXBYNA-UHFFFAOYSA-N 378.454 -0.242 30 20 GBED O=S1(=O)CCC[C@H](CN/C(O)=N/CCS(=O)(=O)N2CCSCC2)C1 329282028 NLVUQJPBWQOBPT-GFCCVEGCSA-N 399.560 -0.307 30 20 GBED N#Cc1ccc(CCC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 331995254 ZXHSQZMKEPFLCA-IRXDYDNUSA-N 377.466 -0.207 30 20 GBED CN([C@@H]1CCNC1=O)S(=O)(=O)CCCS(=O)(=O)N(C)C1(C#N)CCC1 349456066 CYEDHYVZKQRWKD-GFCCVEGCSA-N 392.503 -0.766 30 20 GBED CC(C)[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)CCN1C 349471071 DFVMHETWDJGRPG-KBPBESRZSA-N 380.536 -0.190 30 20 GBED C[C@@]1(C(N)=O)CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C1 349482441 RRJWLRLHSBRXHH-CQSZACIVSA-N 386.455 -0.626 30 20 GBED C[C@@H]1CC(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)C1CC1 349497839 BZSSTTQWKCKZHX-GFCCVEGCSA-N 392.503 -0.766 30 20 GBED N#CCc1ccnc(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)c1 349577880 RNPMFTBHPHZIJR-ZDUSSCGKSA-N 388.471 -0.012 30 20 GBED C[C@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 349622648 VZFCNAQFUVEWLO-NEPJUHHUSA-N 380.517 -0.131 30 20 GBED C[C@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)Nc1ccc(=O)n(C)c1 349623124 WLUIFNSWDSWGFM-LLVKDONJSA-N 376.460 -0.261 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1C 440384664 CBFCAHXYUAIGFC-UHFFFAOYSA-N 387.461 -0.141 30 20 GBED C=CCOC[C@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)OC 481607602 KQRGTQCHQWDQGT-LBPRGKRZSA-N 383.426 -0.101 30 20 GBED N#Cc1cccc(F)c1CC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 491901024 KHPDYYOLYXYIBM-JKSUJKDBSA-N 381.429 -0.458 30 20 GBED N#C[C@@H]1CN(C(=O)NCCCN2C(=O)CNC2=O)C[C@@]12C(=O)Nc1ccccc12 514033351 SKCUEFFVSAETOR-CWTRNNRKSA-N 396.407 -0.017 30 20 GBED COc1ccc(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(OC)n1 527953108 JXLLMGBDSUSCGF-UHFFFAOYSA-N 386.368 -0.001 30 20 GBED C[C@@H](C#N)CN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CC1 533139712 PDSSFOSWCHWTTR-INIZCTEOSA-N 377.489 -0.387 30 20 GBED CNC(=O)[C@H](CCSC)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 562912788 VYNHUHMUNJTPOF-ZDUSSCGKSA-N 384.483 -0.180 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H]2COC[C@H]2O)cc1 563429254 TZNPGOWLPZVSCR-ZLKJLUDKSA-N 389.455 -0.743 30 20 GBED CN(C)C(=O)COC1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 579941268 HSQAPSCLALCTPM-UHFFFAOYSA-N 380.426 -0.848 30 20 GBED N#Cc1ccccc1N1CCCN(C(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)CC1 591567409 YRQSTKYPSBYUTD-MRXNPFEDSA-N 386.408 -0.091 30 20 GBED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 595983162 YYDDSOAOUTUUNT-WBVHZDCISA-N 386.452 -0.020 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CNS(=O)(=O)c1cccnc1 597451212 OYDPRCVSMJYUHM-UHFFFAOYSA-N 377.430 -0.372 30 20 GBED COCCN(CCC#N)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 610913105 RAXDXZMCOVGORP-LBPRGKRZSA-N 382.442 -0.159 30 20 GBED C=CCn1cc(C(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)nn1 648773303 BHPFCNPQLVYDAI-UHFFFAOYSA-N 389.504 -0.226 30 20 GBED CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1=O 757574439 FOTDJAWIXWTRGC-NXEZZACHSA-N 379.373 -0.718 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C#N)o2)c1=O 758069579 QKLBBLVZGIDJCF-UHFFFAOYSA-N 382.401 -0.727 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCCS1(=O)=O 766353558 FMDANBKVYQPTCT-LLVKDONJSA-N 385.467 -0.191 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1ccc(OC)c(OCC(N)=O)c1)[C@H]1CCCO1 773797819 ORIBLDKPULUXQN-QWHCGFSZSA-N 375.381 -0.205 30 20 GBED C[C@@H]([C@@H](C)N(C)C(=O)C(=O)NCCNc1ncccc1C#N)S(C)(=O)=O 787775488 PXESIQRNWLCNEA-NEPJUHHUSA-N 381.458 -0.239 30 20 GBED C#CCn1ccc(CN(CC)C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)n1 790115360 NIXSHGUJTOFJTN-UHFFFAOYSA-N 392.441 -0.730 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCC1(N2CCOCC2)CC(OCC)C1)[C@@H]1CCCO1 809310739 UNKXNRDIZGFHLM-RXCRORICSA-N 393.484 -0.331 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](N2CC[C@H](O)C2)C1 819822402 BHHPNXUSEJUFDO-STQMWFEESA-N 378.454 -0.607 30 20 GBED CN1C(=O)N[C@](C)(c2ccc(NC(=O)C(=O)N3CC[C@](O)(CC#N)C3)cc2)C1=O 847532268 BYUNQMSETWOVAS-RTBURBONSA-N 399.407 -0.101 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1noc(C)n1)[C@H]1CCCO1 848962989 FVYXGQJDLQOWBI-NWDGAFQWSA-N 392.459 -0.390 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2nc3ccc(C(=O)OC)cc3[nH]2)CC1 851874049 ZDHIBWDWLMMHAI-UHFFFAOYSA-N 391.453 -0.065 30 20 GBED COC(=O)c1cccc(C#CCOC(=O)CN2CCN(S(C)(=O)=O)CC2)c1 861365015 GPSJKQIGPVVHEQ-UHFFFAOYSA-N 394.449 -0.055 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 981456807 WTWOBLBACWBUKA-YJNKXOJESA-N 392.456 -0.080 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H]1CC 985533362 WYTKKTWSIRELSL-BARDWOONSA-N 392.456 -0.033 30 20 GBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2cn(CC(N)=O)nn2)c1 1003370944 XWFSVAMDJGPBAZ-GYSYKLTISA-N 382.384 -0.861 30 20 GBED COCCS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 1092928822 BSWRCBJTIXEZDL-RDBSUJKOSA-N 379.442 -0.365 30 20 GBED CC(C)N1C[C@H](NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1=O 1117198705 IXJGUCZSLITSRR-UONOGXRCSA-N 399.455 -0.489 30 20 GBED CN(C(=O)C(=O)NC1CCN(CC#N)CC1)[C@H]1CCN(CC(F)(F)F)C1=O 1117281736 RMHFHTQKWUKEGA-LBPRGKRZSA-N 389.378 -0.288 30 20 GBED C=CCN(C(=O)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)[C@H](C)COC 1118639888 UFXMWCAKXWZBSO-VBHSOAQHSA-N 380.445 -0.127 30 20 GBED C#CCN1CCC[C@@H](NC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 1119364938 TUUOXJVQRNJGRN-HZPDHXFCSA-N 386.518 -0.128 30 20 GBED CCc1nc(C#N)cc(N[C@H](CO)CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)n1 1122932061 SFBDZPSRORHLNO-PLNCSYRRSA-N 375.429 -0.149 30 20 GBED CNC(=O)[C@H]1CN(C(=O)C(=O)N(CCOC)Cc2ccc(C#N)cc2)CCO1 1261320888 NVZMVOGPMJWEHB-MRXNPFEDSA-N 388.424 -0.493 30 20 GBED C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1322490033 BDUJRWRWDFAUEV-LBPRGKRZSA-N 393.469 -0.412 30 20 GBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)C1 1340760526 UOASNPCZPPESIH-INIZCTEOSA-N 382.417 -0.314 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCCn1cc(CO)nn1 1343563616 NLWXRCWWRWDFBY-UHFFFAOYSA-N 378.414 -0.985 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)CC1 1346153516 UYTAANBLEVSEQU-JKSUJKDBSA-N 380.489 -0.105 30 20 GBED N#C[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 1356218546 RXYXYEOUXZELKA-MRXNPFEDSA-N 375.473 -0.095 30 20 GBED CN1CC[C@@](O)(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)C1 1554357940 JHMAWUJUPDHZQI-MSOLQXFVSA-N 391.451 -0.091 30 20 GBED C#CCN(C(=O)CCN(C)C)C1CCN([C@@H](C)C(=O)NCc2cnn[nH]2)CC1 1574894877 JZGFJXSCJPMHAQ-HNNXBMFYSA-N 389.504 -0.313 30 20 GBED C#CCNC(=O)[C@@H](C)N[C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1588352938 ATMMUNMXKICWQP-JHJVBQTASA-N 384.444 -0.037 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CCCN(CC(N)=O)C1 1609493519 OCRFOICYACZKGQ-CABCVRRESA-N 382.428 -0.385 30 20 GBED N#Cc1cn(CCC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c(=O)nc1O 1635125694 GOBYSIBRRCTENG-SWLSCSKDSA-N 376.413 -0.105 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(S(=O)(=O)CC(C)(C)CC#N)C2 1662807542 NHHSEWXZEBMRPI-UHFFFAOYSA-N 384.462 -0.782 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2nccn2)C1 1780818905 RFPFLEFPXJIXMX-FRQCXROJSA-N 389.456 -0.170 30 20 GBED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1792633351 PZNMYZHCBCNQDR-ZSBIGDGJSA-N 386.412 -0.672 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@](C)(O)C(F)(F)F 1793689497 JRYJHADWWPAVPY-DJUFWWRVSA-N 392.374 -0.072 30 20 GBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2sccn12 1798413564 OFRIVFBIEITLHR-QHBPRCKVSA-N 387.421 -0.127 30 20 GBED CC(=O)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1800537651 FHQIRRFDWOVMOA-SCAQPMJSSA-N 393.488 -0.616 30 20 GBED N#CC1(C(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)CC1 1806848060 RWXKZRVNZPOTDY-HLLBOEOZSA-N 398.467 -0.016 30 20 GBED C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1)n1cnnn1 1822863254 LUAHSFVTBPUJNM-PWSUYJOCSA-N 386.372 -0.263 30 20 GBED CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831215716 SCFSSKQMBMMYNA-HXUWFJFHSA-N 391.468 -0.372 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1831493381 RRCZATWKMAKNGL-RHSMWYFYSA-N 398.485 -0.727 30 20 GBED CN1N=C(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)CCC1=O 1835354901 JPLRTBOHVCQGDL-SFHVURJKSA-N 391.428 -0.645 30 20 GBED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cnnn1)CCO2 1836150306 LVPOXQWQIFTZAH-SFHVURJKSA-N 390.444 -0.677 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC=O)CCO2)C1 1839163287 JTMVACZGYNYMRL-RKVPGOIHSA-N 398.460 -0.622 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839235462 WGVVPRPDUVOSQL-WBVHZDCISA-N 397.501 -0.311 30 20 GBED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839646128 CXCXRXRZHYIIGB-JNMQVBFRSA-N 390.440 -0.214 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)CCn1cncn1)CCO2 1840357312 UWHUONNZRCWLBD-IBGZPJMESA-N 387.440 -0.462 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCOCC)CCO2)C1 1840520975 LQNGRNVUAGZCGJ-LPHOPBHVSA-N 382.457 -0.092 30 20 GBED N#CC1(C(=O)N2CC3(CCCN3C(=O)CN3CCS(=O)(=O)CC3)C2)CCC1 1841895353 UTXCDGMHEWECSA-UHFFFAOYSA-N 394.497 -0.386 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844294965 VHYBNFDACCRHIE-HNNXBMFYSA-N 393.488 -0.878 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844296119 LIOHEIWPNIMACQ-HUUCEWRRSA-N 381.473 -0.587 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](COC)NC(C)=O)C1 1844383114 MVKMXEYTYNAGAF-XHPSBEMXSA-N 392.456 -0.801 30 20 GBED CCN(C[C@H](C)C#N)C(=O)CN1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 68849496 QXRNPVCQRVFMIL-SJORKVTESA-N 379.505 -0.141 30 20 GBED CCc1nsc(N2CCN(/C(=N\C)NC[C@H]3CN4CCN3CC4)CC2)n1 261839727 WKGBENKIBZDOOG-AWEZNQCLSA-N 378.550 -0.202 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)cc1 293679749 HCWXQKWJBLFKSQ-AWEZNQCLSA-N 399.494 -0.296 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN([C@H](C)C(=O)NC(=O)NCC=C)CC1 298168079 XKDWCFWLIKRHOD-ZIAGYGMSSA-N 394.476 -0.595 30 20 GBED CCS(=O)(=O)N1CC(CN/C(O)=N/CC2CCN(S(C)(=O)=O)CC2)C1 330281366 UNCODGLFCIXIAK-UHFFFAOYSA-N 396.535 -0.557 30 20 GBED COc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)ncn1 348344914 LBPAUTLAZGANEM-UHFFFAOYSA-N 375.432 -0.598 30 20 GBED CCN1CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N)CC1=O 349487825 DDGLNIMMFGPFSY-ZDUSSCGKSA-N 394.519 -0.566 30 20 GBED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCn2cnnc2C1 349513049 WLQUILFAROOEJD-LBPRGKRZSA-N 390.491 -0.719 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCc2nn(C)cc21 349534718 IXYYQZJLSFNXIW-CQSZACIVSA-N 389.503 -0.108 30 20 GBED N#Cc1cccnc1NS(=O)(=O)CCCCS(=O)(=O)N1CC[C@H](O)C1 349584702 BJQJVALZDFCVIT-ZDUSSCGKSA-N 388.471 -0.128 30 20 GBED COC(=O)[C@H]1C[C@H](OC)CN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 369380870 CBWNKZMDYLPOLN-DZGCQCFKSA-N 391.428 -0.234 30 20 GBED N#Cc1ccc(OCCNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)cc1 419458834 BWXUWPQQZBRKKB-MRXNPFEDSA-N 399.451 -0.524 30 20 GBED CO[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[C@H]1O 453975328 LNNBZRPMHPCBQS-ZIAGYGMSSA-N 389.799 0.554 30 20 GBED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCOC[C@@H]2C#N)CC1 471245771 WTGWTVKWAXRGST-AWEZNQCLSA-N 397.457 -0.651 30 20 GBED COCCN(CC(=O)N[C@@H](C)C(=O)N(C)C)S(=O)(=O)c1ccc(C#N)cc1 475757372 GEHFBGQFWCKVDC-ZDUSSCGKSA-N 396.469 -0.212 30 20 GBED C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 549282210 FPECSBDNIYNUTO-UONOGXRCSA-N 392.460 -0.275 30 20 GBED C[C@@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncc(C#N)s1 594637397 QOFRKQQHOMHYAH-VIFPVBQESA-N 382.489 -0.211 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 610666833 CDGULGPUOCQSOH-DZGCQCFKSA-N 382.490 -0.221 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)CC1 733150767 TZFMIBXTYBYSFB-MRXNPFEDSA-N 398.529 -0.668 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(-c3nn[nH]n3)c2)CC1 735433033 YDKAIXHDYMVTMF-UHFFFAOYSA-N 384.444 -0.004 30 20 GBED CC(=O)NC[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 735474812 GLZDSRUZAABMPZ-CYBMUJFWSA-N 394.453 -0.521 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 746941850 JWCOJFPFBSFYMQ-GOSISDBHSA-N 387.396 -0.157 30 20 GBED C#CCNC(=O)C1CCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 749939169 NDHLMOMXYKFTSC-OAHLLOKOSA-N 376.438 -0.296 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(C)nn(C)c2C)c1=O 758049506 HCIBDQZRRITGER-UHFFFAOYSA-N 383.477 -0.079 30 20 GBED COc1ccc(N2CCN(C[C@@H](O)Cn3c(=O)c(C#N)cn(C)c3=O)CC2)cc1 758208487 GMKNQWWWIYYFBG-QGZVFWFLSA-N 399.451 -0.390 30 20 GBED C[C@](C#N)(NC(=O)COC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C1CC1 762391037 ACEVDYXTPMIOME-MRXNPFEDSA-N 378.410 -0.164 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)CC1 772156879 SMNPBIUDCBZQFM-UHFFFAOYSA-N 389.412 -0.319 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 799285038 UUEDIRWIXASBAY-AWEZNQCLSA-N 379.438 -0.044 30 20 GBED N#Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)cc1F 810359255 ZZRKUVAGFWDZSW-UHFFFAOYSA-N 384.389 -0.586 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 819750606 GYOXAIPWLRKUKL-UHFFFAOYSA-N 398.427 -0.748 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)CC1 831556718 SDTHCXFCLFFRDW-HNNXBMFYSA-N 396.513 -0.221 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C2CN(C(=O)OC(C)(C)C)C2)CC1 831568331 GGCXPTOIAYXZNT-UHFFFAOYSA-N 386.474 -0.535 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2CCOCC2=O)[C@H](C)C1 949499820 GWYQSZJAMLNSAH-FPCVCCKLSA-N 379.457 -0.211 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]21 960459610 ZESIXTVREKJDEL-CBBWQLFWSA-N 376.417 -0.908 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ccc(O)nc1=O 998013823 AAVQLXLOOQKDJZ-MRLBHPIUSA-N 388.424 -0.212 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(OC)nc2)C1 1025456287 MSCHVCZQVYFBIF-TUVASFSCSA-N 376.413 -0.232 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)nn2)C1 1025651254 IDDGCBWEEBMBPW-DCDXPUDHSA-N 376.413 -0.232 30 20 GBED CN1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2C#N)S1(=O)=O 1055461371 FTZNKJGYPGKXQR-RFHZTLPTSA-N 376.442 -0.392 30 20 GBED C=CCn1cc(C(=O)N(CCO)CCNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)nn1 1057626796 XXGUBTWFTAKYBO-OFQRWUPVSA-N 377.445 -0.170 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCc1nnc(C)s1 1110772725 JMJMTWOWKPEEDK-MCIONIFRSA-N 377.470 -0.166 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)c1ccsc1 1111421167 MIPDVKXYMWBENY-MCIONIFRSA-N 375.454 -0.161 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)nn1 1118175781 HZLARPGKCBEVLF-MRXNPFEDSA-N 397.439 -0.217 30 20 GBED C#CCN1CCN(c2nnc([C@H]3SCCNC3=O)n2C[C@H]2CCOC2)CC1 1123049318 HBVCBNNAOUQRAQ-HUUCEWRRSA-N 390.513 -0.026 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)NC1(C(=O)OC)CCS(=O)(=O)CC1 1321234355 VQLAEEKIPQQYRC-LLVKDONJSA-N 381.476 -0.577 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](O)CN2CCCC2=O)c1 1322898494 MSCUIKQDNGFUIK-AWEZNQCLSA-N 381.454 -0.136 30 20 GBED COCC(C)(C)N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1329453226 MFTCVEJOMYQLBN-MRXNPFEDSA-N 377.489 -0.246 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@@H]2C[C@H]2C2CCC2)CC1 1335938440 BMIOFBFUHQFNCP-GJZGRUSLSA-N 379.490 -0.301 30 20 GBED C=CCn1c([C@H]2CC(=O)N(C)C2)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 1339494518 UKMDQOWRZTZUIZ-QWHCGFSZSA-N 382.490 -0.072 30 20 GBED C#CCO[C@H](C)C(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 1573288662 XJIKMGKSHLBHHB-CQSZACIVSA-N 384.444 -0.462 30 20 GBED C=C[C@@](C)(O)CC(=O)NC1CC2(CC(NCC(=O)NCc3cnn[nH]3)C2)C1 1575072132 GHVMYPCOGFKPDN-KFUFOLPVSA-N 376.461 -0.235 30 20 GBED C[C@@H](OCc1cnn[nH]1)C(=O)N[C@H]1CC[C@H](CNCC(=O)NCC#N)CC1 1575889743 SBOIZUKTJICNSP-MGPQQGTHSA-N 377.449 -0.386 30 20 GBED C#CCOCCC(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C1 1588359543 REGGMPZFIFRMPO-OKILXGFUSA-N 383.412 -0.235 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588442566 IWOGPYJXQMBLNX-MJVIPROJSA-N 389.416 -0.617 30 20 GBED CO[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)CSCC#N 1591470651 NPJGUHRAMNJDIE-GHMZBOCLSA-N 375.418 -0.767 30 20 GBED Cc1c(-c2nn[nH]n2)c(=O)n(CC(=O)Cc2ccc(C#N)cc2)c(=O)n1CCO 1591794404 FJXJLKNNRVMFSM-UHFFFAOYSA-N 395.379 -0.826 30 20 GBED CO[C@@](C)(C(=O)O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1593922284 JQEWVXNQWJNIOC-MRXNPFEDSA-N 381.410 -0.119 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[nH]n2)C1 1602721797 WTRSLXNUZGXWKO-KBPBESRZSA-N 381.444 -0.161 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC/C=C/CN=c1cc[nH]c(-c2nn[nH]n2)n1 1602756581 RJZFCHUBXDZSLC-MUBLQREKSA-N 385.432 -0.366 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[nH]n2)n1 1602886349 PYTZTQSDKGNEEM-BZPMIXESSA-N 386.416 -0.431 30 20 GBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)C1 1606354129 AVAISRIKDGHOCQ-GXTWGEPZSA-N 395.427 -0.281 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)N1CCN(C)CC1 1607897510 TXGLSAMRDORXOJ-ZDUSSCGKSA-N 393.469 -0.885 30 20 GBED C#CCNC(=O)CN1CCC2(CC1)C[C@@H]2NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1752426769 KYVCJIHYDWVRGT-NBOOPKSLSA-N 375.469 -0.242 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1778967679 IEBOYIKKJOXOKN-KUHUBIRLSA-N 395.456 -0.158 30 20 GBED NC[C@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779444493 HMJNAIWJDSBQMO-DHWCDAGPSA-N 391.472 -0.502 30 20 GBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1783046250 LFMQGCJMRRVVTA-FYINFDKHSA-N 399.447 -0.371 30 20 GBED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1784493913 DUTVILKLERKXLZ-ATIWLJMLSA-N 395.500 -0.328 30 20 GBED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccnc3)[C@H]2C1 1785167262 GGZXZXDNPIBQEM-JYJNAYRXSA-N 385.424 -0.295 30 20 GBED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21 1789954813 BFBUGKQOIOWLBL-XUXIUFHCSA-N 382.465 -0.750 30 20 GBED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)C[C@@H]21 1791273418 WPMYTEJYOQMGHV-KKUMJFAQSA-N 393.440 -0.687 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CNC1=O)C2 1798393320 OMXBHECOJRIYET-CRWXNKLISA-N 392.456 -0.251 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccc(O)nn2)[C@H]1c1cccnc1 1805271004 SRQDBQVTMUYKBM-FZKQIMNGSA-N 395.375 -0.015 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1810823521 MMKNBXVMSRLZFS-CYBMUJFWSA-N 378.429 -0.248 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CNC(=N)N)n[nH]1 1817250629 PLEQZFBDIJWVHW-YPMHNXCESA-N 375.433 -0.077 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1830598936 HXVSZVUPACZMIU-MGPUTAFESA-N 394.468 -0.005 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H](N)c1cccnc1)CCO2 1835829185 WBCBACHLCUUCSA-APWZRJJASA-N 387.440 -0.158 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1837194372 AEOMXLLZLYEPKI-SFHVURJKSA-N 384.396 -0.058 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Cn1cncn1)CCO2 1837648686 RNQOAXRZTLHCIG-YJBOKZPZSA-N 377.445 -0.053 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 1838642746 JUMMNKKZTVVJHQ-LJQANCHMSA-N 388.424 -0.357 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1840157509 RJRHJYRNCXMMJT-SUMWQHHRSA-N 380.470 -0.206 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1840161188 HKVAYCFGZFBHMU-WQEAVSRRSA-N 397.497 -0.404 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)N1CCN(C)CC1 1847806865 YNTWMUDMOYBIIF-BDXSIMOUSA-N 376.501 -0.138 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)Cn1nc2n(c1=O)CCCCC2 162505039 DRHKOGUMZYEMQJ-UHFFFAOYSA-N 376.461 -0.154 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCOCCO)cc1 265697851 STLHTMNZGOGPRN-UHFFFAOYSA-N 385.442 -0.443 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C1CC1)[C@H]1CC(=O)NC1=O 268829281 VWBGSGIHRFPPEE-YGRLFVJLSA-N 390.421 -0.369 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)C1=O 281449611 MYEAMXOGLCMXTQ-OAHLLOKOSA-N 398.423 -0.245 30 20 GBED N#Cc1cccc(-n2ccc(C(=O)N3CCN(CCS(N)(=O)=O)CC3)n2)c1 282088763 VDOHQKATTDHARX-UHFFFAOYSA-N 388.453 -0.210 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)CCNS(=O)(=O)c1cccnc1 299542776 QQJAGZJPVWEEFL-UHFFFAOYSA-N 395.485 -0.176 30 20 GBED C[C@H]1CN(C(=O)Cn2cc(N=C(O)N3CCS(=O)(=O)CC3)cn2)C[C@@H](C)O1 329948676 ZGTIHHKDVNKRNH-BETUJISGSA-N 399.473 -0.205 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 330073463 KMBJCCVZORKLEL-APHBMKBZSA-N 378.454 -0.234 30 20 GBED CN(C1(C#N)CCC1)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]1C(N)=O 349530340 DAVDBVJOHCTNEZ-LBPRGKRZSA-N 392.503 -0.636 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CCCO1 349600800 JBJMAFYJOJVUPQ-STQMWFEESA-N 397.544 -0.254 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCN(CC(N)=O)CC1 370651171 IYZKZWLRKDXWJP-ZDUSSCGKSA-N 393.469 -0.755 30 20 GBED N#Cc1ncn(CC(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)n1 433569139 FSDDZFBDFBTKFW-GFCCVEGCSA-N 380.364 -0.327 30 20 GBED CC[C@@H](C)[C@@H](NC(=O)Cn1cnc(C#N)n1)C(=O)NCCN1CCOCC1 495000943 YJMOWVTVUJITDH-CZUORRHYSA-N 377.449 -0.871 30 20 GBED N#CCNC(=O)CNC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 511910976 QSEYQYQGFBAWLN-GFCCVEGCSA-N 385.380 -0.667 30 20 GBED CN1CCN(CCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1(C)C 555100841 ZYLSVPMHLKFFNT-UHFFFAOYSA-N 393.513 -0.021 30 20 GBED CN1CN(S(=O)(=O)c2cccc(S(=O)(=O)NC(C)(C)C#N)c2)CC1=O 567487693 XMKGMWDZQDORSO-UHFFFAOYSA-N 386.455 -0.313 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)C2=O)cc1 567521963 BEPAKVQTBOLJJW-ZACQAIPSSA-N 396.451 -0.387 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)C1=O 590994028 BEYLYDUAARAXIR-ZIAGYGMSSA-N 395.456 -0.199 30 20 GBED COC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C#N)C(C)C)cc1 594538953 DYHRQZGQSHVBOJ-ZDUSSCGKSA-N 389.455 -0.036 30 20 GBED N#CC1(NS(=O)(=O)c2cccc(S(=O)(=O)NC3(C(N)=O)CCC3)c2)CC1 594629956 QZJHCIALMIZYHG-UHFFFAOYSA-N 398.466 -0.293 30 20 GBED CC(=O)NCC(=O)NCC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 604536001 PGLYBOFDVGHYFH-UHFFFAOYSA-N 385.424 -0.012 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(S(=O)(=O)CCCCC#N)CC2)CC1 609158180 OFEITYNAWSEUDX-UHFFFAOYSA-N 393.535 -0.880 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nnnn1C1CC1 610809808 IDASBQALSOSAQU-JTQLQIEISA-N 375.414 -0.137 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC(=O)[C@H]2c2cccc(C)c2)C1=O 620355715 JMIOIOIIDBGGHH-OAHLLOKOSA-N 384.392 -0.029 30 20 GBED NS(=O)(=O)[C@@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 732663857 CWYZZWSRVHDUEP-SNVBAGLBSA-N 386.455 -0.995 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 735432827 WMFPRTBHXFZFMM-UHFFFAOYSA-N 384.444 -0.004 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(OC)c(OC)cc2C(N)=O)C1=O 751113794 PVGXGMAHAYBZOF-UHFFFAOYSA-N 390.352 -0.282 30 20 GBED CCOC(=O)CON=C(C(=O)N(C)Cc1nnc2n1CCC2)c1cc[nH]n1 770824733 QRQBLJCAJFXMKQ-UHFFFAOYSA-N 375.389 -0.110 30 20 GBED CCN1CCOC[C@@H]1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 775002873 SSKBRAIFWOMYFZ-OAHLLOKOSA-N 391.428 -0.233 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 775551229 UTSPKUKCWFKLNQ-HNNXBMFYSA-N 389.441 -0.015 30 20 GBED CN(C(=O)COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(C)(C)C#N 786360758 HNDGDZSOBQPFLD-FIXIBIHLSA-N 377.397 -0.157 30 20 GBED Cn1cc(N2CC[C@H](NC(=O)C(=O)NCCNc3ncccc3C#N)C2=O)cn1 787777120 HTARDLWOYNIYPK-AWEZNQCLSA-N 396.411 -0.863 30 20 GBED N#C[C@H]1CNC[C@H]1NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 843460075 LKMRNWHFEKLFDP-WCQYABFASA-N 380.426 -0.646 30 20 GBED C#CCN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N[C@@H](C)C#N)CC1 848956565 VWDGXGHZAIBNTH-AWEZNQCLSA-N 396.494 -0.184 30 20 GBED C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc(OC)ncn1 848961265 SKWALOSZMWKBQB-LLVKDONJSA-N 376.460 -0.100 30 20 GBED C#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1nc2n(n1)CCCC2 848961631 HIJNUBQRLLOJAP-UHFFFAOYSA-N 375.476 -0.359 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](CN3CCCC3=O)C2)c1=O 853595589 QSCMGSSNXBIPRK-HNNXBMFYSA-N 389.456 -0.555 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CCC2CCOCC2)CC1 872515687 SOESAQKNPVRQNZ-UHFFFAOYSA-N 379.504 -0.782 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCO[C@H](c3ccnn3C)C2)C1=O 910692376 KBDROFWXRNAFGR-GJZGRUSLSA-N 375.429 -0.435 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)C[C@@H]1O 964615510 WHZYUSVLHMSFND-OJLVUWQFSA-N 388.424 -0.537 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C[C@@H]2O)nc1 969348594 QSSHHZWLDJZKRT-IDCNUPLLSA-N 379.420 -0.098 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cc(CC)nn2C)C[C@@H]1O 970702658 VRCKQRJPOGWUPU-NCOADZHNSA-N 376.457 -0.196 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccnc2)C[C@@H]1n1ccnn1 990962351 DMMIHAJMYUJQBU-WCVJEAGWSA-N 385.428 -0.366 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccn3c(O)nnc23)C[C@H]1O 1025709559 QGDOYRFZCHDJSA-ZRJCITRHSA-N 387.396 -0.673 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cccc(-n2cnnn2)c1 1110083849 YXXLEZYWVWDNPL-KBMXLJTQSA-N 380.412 -0.363 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1C(F)(F)F 1112167360 LRSNCLQCVTXQJR-YVECIDJPSA-N 388.390 -0.561 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1117934470 QTJOLNMVRQJKLJ-GOSISDBHSA-N 380.448 -0.158 30 20 GBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N2CCC(C(=O)OC)CC2)CC1 1118365727 LKUBTNVVPCLBGS-OAHLLOKOSA-N 378.473 -0.847 30 20 GBED CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)Cn1cc(C#N)c(O)nc1=O 1292440071 MWCGGVRXJKGLFY-UHFFFAOYSA-N 379.417 -0.448 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)O)c1 1320742587 TWENQLANPFOXOB-OAHLLOKOSA-N 397.453 -0.334 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCCOC[C@H]2CCCO2)CC1 1322939606 ZMJSQYDVXGCDHM-MRXNPFEDSA-N 379.457 -0.324 30 20 GBED COc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 1324855334 DPHPJVFHDMZKTA-INIZCTEOSA-N 386.408 -0.269 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@](COC)(C(=O)OCC)C2)nn1 1325986645 MSNVVEULYNCJGM-GOSISDBHSA-N 393.444 -0.101 30 20 GBED CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)c1 1326438336 QRZRJUCEAPZIPY-QGZVFWFLSA-N 394.453 -0.522 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NC[C@H](C)CN2CCOCC2)n1 1328012511 MWNMBZLPQZQPSV-INIZCTEOSA-N 375.473 -0.051 30 20 GBED C=CCCSCCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 1329634298 GYEFDKDCXRAYTI-UHFFFAOYSA-N 396.513 -0.295 30 20 GBED Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CNC[C@@H]3C#N)CC2)cn1C 1332178592 DOUMJYGNQIEXIK-UONOGXRCSA-N 380.474 -0.643 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@H](CC)C(=O)N2CCOCC2)n1 1342787891 ZNYVHJOUPFGTCA-MRXNPFEDSA-N 389.456 -0.382 30 20 GBED CC(=O)N1C[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)Oc2ccccc21 1470360693 JJXNDOSLITVLDT-OAHLLOKOSA-N 383.364 -0.249 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](CO)N=c1cc(C)[nH]cc1-c1nn[nH]n1 1573294298 AQCFHZLVKAHMAO-XEZPLFJOSA-N 387.444 -0.138 30 20 GBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 1588930611 AJMSVHXGPXDQPT-GFCCVEGCSA-N 383.416 -0.472 30 20 GBED Cc1ccc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)O)cc1S(=O)(=O)NCC#N 1600332550 HRPLUQSUNPUSHZ-GXTWGEPZSA-N 381.410 -0.153 30 20 GBED C#CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C12CCC2 1602722157 DERNCXWGHCLGPK-ZIAGYGMSSA-N 382.428 -0.425 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCO[C@@H](CNc2cnc(-c3nn[nH]n3)cn2)C1 1602726180 QEOLIZWTFMBVEB-OLZOCXBDSA-N 386.416 -0.276 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nn1 1602882220 CNRRMIPYVCARIM-SNVBAGLBSA-N 382.388 -0.383 30 20 GBED C[C@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)CN1CCN(C)CC1 1631652166 MXOHPOHXGBHHQZ-CYBMUJFWSA-N 377.449 -0.997 30 20 GBED Cn1c(=O)[nH]c(N2CCC(NS(=O)(=O)c3cccs3)CC2)c(C#N)c1=O 1642040581 VMOGWAZAWCSDBX-UHFFFAOYSA-N 395.466 -0.046 30 20 GBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1781694695 ONNQVIZMSXGRSF-ZXYWRSMDSA-N 395.456 -0.023 30 20 GBED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCO2 1783903679 XYMBOGNGMXAYCR-YJBOKZPZSA-N 399.513 -0.052 30 20 GBED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795085520 RFYUTNKEXLGSGX-XCCSTKFXSA-N 382.417 -0.667 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2 1797706471 ASXMWVRWAWFKQH-VJTDZRGJSA-N 381.429 -0.743 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(CO)on1 1798730090 OVJSZZRFURDKEO-JFILPPLUSA-N 379.413 -0.039 30 20 GBED N#CC1(C(=O)N2CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2c2cccnc2)CC1 1807190635 HJABQNGMGQUWJH-BFYDXBDKSA-N 398.467 -0.016 30 20 GBED CN[C@@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1)C(=O)O 1826947582 DXCPWIMABPVFCK-GJZGRUSLSA-N 393.440 -0.243 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CC(N)=O)C3)C2)C1 1829660881 JTJSKPPYEFMRNN-AUUYWEPGSA-N 379.457 -0.080 30 20 GBED Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)n1 1833095047 TVHPSSHLRZYYNG-PBHICJAKSA-N 382.486 -0.034 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1835351969 HJFKNZUVKXSGDF-RDTXWAMCSA-N 378.429 -0.727 30 20 GBED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835364084 KTYXXANLHDUFCO-MSOLQXFVSA-N 397.428 -0.638 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2 1837530784 QNZOSFHYBAKUDA-SKTBVBMLSA-N 379.413 -0.395 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838331572 GPAKVMJKOFQRSN-LJQANCHMSA-N 388.424 -0.060 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]nc3C)CCO2)C1 1838676913 FPKKMGZILBYWOA-DNVCBOLYSA-N 390.440 -0.174 30 20 GBED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1840294507 IEPVVYWSPRATEQ-LPHOPBHVSA-N 379.457 -0.229 30 20 GBED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845067481 XZMJMZCEFIEZCC-HOTGVXAUSA-N 384.436 -0.137 30 20 GBED CN(CC(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2)C(=O)C(=O)O 1845809796 UFHKPKCAASXUFR-VXLYETTFSA-N 393.444 -0.796 30 20 GBED C#CC(=O)N1CC2(CCCN2C(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)C1 1845874187 DYMQBTTVYXBSCT-QWHCGFSZSA-N 390.465 -0.997 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)n2[nH]cnc2n1 1847812917 PECGKZVPAVJQCV-XBFCOCLRSA-N 386.412 -0.176 30 20 GBED CCn1cc(C#N)c(=O)n(Cc2nnc3n(C)c(=O)c4ccccc4n23)c1=O 10854154 TUJYTJJJKHGVTN-UHFFFAOYSA-N 377.364 -0.156 30 20 GBED C=C(C)CN1CCC(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CC1 264400204 OXZQRBVBUIBMSG-UHFFFAOYSA-N 376.465 -0.433 30 20 GBED C/N=C(/NCCN1CCOCC1)NCc1ccc(OCC(N)=O)c(OC)c1 264963755 ANUBMBBXUAIXDK-UHFFFAOYSA-N 379.461 -0.444 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2c(C)nn(C)c2-n2cccn2)CC1 275277904 JVCMHXXKTWKMPA-UHFFFAOYSA-N 383.456 -0.188 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 281374522 LFLDWOUQEYDEMV-SWLSCSKDSA-N 375.429 -0.079 30 20 GBED CCN(C1CCN(/C(O)=N/CCS(=O)(=O)NC(C)C)CC1)S(C)(=O)=O 330700463 YMKBUBZYZOZUQS-UHFFFAOYSA-N 398.551 -0.026 30 20 GBED Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C)cc1S(=O)(=O)NCC#N 332201892 IBCIHYYHKVOSOO-LSDHHAIUSA-N 378.454 -0.048 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H](CO)CC1 349505478 WGMXHGIAOAOLSX-UONOGXRCSA-N 381.520 -0.026 30 20 GBED C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1ccn(C)n1 349540329 YSYIJQIDWSSOOY-NEPJUHHUSA-N 378.476 -0.185 30 20 GBED CCC[C@H](O)[C@H](CO)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 411773915 ALRLEOMEGXRROM-ZFWWWQNUSA-N 389.387 0.460 30 20 GBED C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 430230275 VUEJBULGTLIHAE-IUODEOHRSA-N 395.423 0.249 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@H](O)CN1CCOCC1 462089271 HMXOHNSKFNKASQ-HNNXBMFYSA-N 385.428 0.262 30 20 GBED N#Cc1ccc(NCC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 508399995 QLUXHDKPCIKXEK-HZPDHXFCSA-N 378.454 -0.728 30 20 GBED CCC(C#N)(CC)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 528044182 RYLKUICADYJIMA-CYBMUJFWSA-N 391.515 -0.023 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CS(=O)(=O)CCO2)c1 535070271 WGVKPTNCZXXBSP-CYBMUJFWSA-N 388.467 -0.306 30 20 GBED N#CCCN(CCC#N)C(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 561364650 CIQHBYHBXOCWML-UHFFFAOYSA-N 377.382 -0.102 30 20 GBED COc1ccc(C(=O)NCC(=O)N2CCN(C(=O)CC#N)CC2)cc1[N+](=O)[O-] 563376513 BGEQUCSTHWQWND-UHFFFAOYSA-N 389.368 -0.082 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CN(C4CC4)C[C@@H]3C)CC2)c1C#N 578244473 QKHJMQCBWLJLMB-GUYCJALGSA-N 399.499 -0.152 30 20 GBED C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)NC3(C#N)CC3)cc2)CC(=O)N1 594504850 MMWKUZJCHQBEGV-LLVKDONJSA-N 398.466 -0.470 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)CC(=O)N1CCCC1 595206285 VDKRAWDWQBQYIU-UHFFFAOYSA-N 395.423 0.467 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CCc2nc(C3CC3)ncc2C1 600768408 WXFUZMOTMGIYNR-UHFFFAOYSA-N 399.498 -0.125 30 20 GBED COCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C)c2=O)cn1 743727943 YENSVORGGDZICL-UHFFFAOYSA-N 375.454 -0.683 30 20 GBED COCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 747916187 DKIMKLWSZNMTTA-UHFFFAOYSA-N 381.410 -0.419 30 20 GBED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)NC1(C#N)CCCCC1 756753331 IVFMIAONIYSNAI-GFCCVEGCSA-N 397.457 -0.027 30 20 GBED COCCN1C[C@@H](C(=O)NS(=O)(=O)c2ccc(C#N)cc2OC)CC1=O 766977241 KTCSRXIRHGCHNB-LBPRGKRZSA-N 381.410 -0.133 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 774606891 IMVSILUJGSIJKC-SFHVURJKSA-N 388.516 -0.954 30 20 GBED N#CCOc1ccc(CC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 787997405 FBUWTTMHCOLBMT-SJORKVTESA-N 393.465 -0.566 30 20 GBED C#CCn1ccc(CN(CCOC)S(=O)(=O)CCCS(C)(=O)=O)n1 788695144 GERCRVYJJSHOHK-UHFFFAOYSA-N 377.488 -0.271 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)CCO1 810090655 URLIHANSSQFJAH-QWRGUYRKSA-N 384.380 -0.154 30 20 GBED Cn1nnc2c1CC[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)C2 848308957 FQYMIKFQZAKOAL-NSHDSACASA-N 388.453 -0.083 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC2(CO)CC2)cc1 848942225 BEODDEMNHXHUMC-UHFFFAOYSA-N 397.478 -0.115 30 20 GBED N#C[C@H]1CN(C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CCO1 859249398 AQTKAUKRRVSDIF-VIFPVBQESA-N 386.817 -0.532 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 892412700 MTHSIRXIRZDEJE-INIZCTEOSA-N 385.534 -0.098 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c(C)ncnc2O)C[C@@H]1O 964610575 IHNRXQDUFJSGEQ-MQYQWHSLSA-N 376.413 -0.227 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@@H]1O 964610605 JMJFMXFCMHWBFE-OJLVUWQFSA-N 389.456 -0.175 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]21 976585245 DQXIELHVALLVJB-UARVYYKOSA-N 377.441 -0.427 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]21 1022752151 WMZHDEKJALHKSE-JJXSEGSLSA-N 377.441 -0.504 30 20 GBED C=CCOCCNC(=O)C(=O)N1CCNC(=O)[C@@H]1c1c(C)nc2ccccn12 1118624630 SGKQHKJOKZWZLD-INIZCTEOSA-N 385.424 -0.039 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@@H]1O 1220512801 GUNQSKHHYFGEOI-XGUBFFRZSA-N 375.491 -0.932 30 20 GBED CN(C)S(=O)(=O)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1318585211 MUMGYUCXSBTZPH-LBPRGKRZSA-N 379.398 -0.314 30 20 GBED CS(=O)(=O)CCn1cccc(NC(=O)C(=O)N(CCC#N)CC2CC2)c1=O 1320576182 QUIPVDRZFJAOSO-UHFFFAOYSA-N 394.453 -0.016 30 20 GBED CCN1CC[C@H](N(C)C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1322694054 MRBAQNUFUKVLIV-QPRSIOOTSA-N 391.472 -0.040 30 20 GBED N#Cc1ccccc1N1CCCN(C(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1 1323885878 RWYDRCSSQQRKLA-WBVHZDCISA-N 399.451 -0.254 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(CCOc2cccc(OC)c2)CC1 1324878168 KSKZHOLJEFFFKP-UHFFFAOYSA-N 389.452 -0.016 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)nn1 1325987115 VKLIAUFJHNRCJU-UHFFFAOYSA-N 398.423 -0.230 30 20 GBED Cc1noc([C@@H](C)NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n1 1328029549 OZISZSFNUPYCPI-LLVKDONJSA-N 386.416 -0.182 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)nn1 1329211848 FNAIZXBCUZJTMY-LLVKDONJSA-N 388.350 -0.250 30 20 GBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 1342536814 BVVHZDUCKMBVKR-UHFFFAOYSA-N 385.424 -0.064 30 20 GBED CCS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N(C)C[C@H](C)C#N 1516850684 IGWGZZMXSLSYPL-CYBMUJFWSA-N 397.505 -0.064 30 20 GBED C#CCNC(=O)[C@H](C)N(C)C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573285141 DPVRBLCVPDZDQP-JSGCOSHPSA-N 384.444 -0.131 30 20 GBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCCN3Cc3cnn[nH]3)C2)cn1 1577715342 NDSSEUSRBMXFBX-IKGGRYGDSA-N 382.428 -0.598 30 20 GBED CO[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1579859339 JQDHXQQDZXUBLB-CHWSQXEVSA-N 380.372 -0.510 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588406962 ZGQSRAZZHULMQB-HZMBPMFUSA-N 388.432 -0.100 30 20 GBED N#CCSCC(=O)N1CCC[C@](CO)(N=c2cc[nH]cc2-c2nn[nH]n2)C1 1592680440 NETCKQNUDAALQQ-INIZCTEOSA-N 388.457 -0.294 30 20 GBED C=CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1602862828 LJHAJQUSYBCNEB-GFCCVEGCSA-N 379.446 -0.400 30 20 GBED C[C@]1(C#N)CN(C(=O)CS(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)CCO1 1603738419 NGJGBNMEMGULDY-INIZCTEOSA-N 390.425 -0.077 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778558867 WCEQRFRIZUBADQ-GOSISDBHSA-N 388.380 -0.803 30 20 GBED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)S)C2)C1)N1CCN(C)CC1 1783901516 RNAIXKNJKQALGB-DAYGRLMNSA-N 384.546 -0.230 30 20 GBED Cc1cn(CC(=O)N2CC[C@]3(CN(C(=O)CCC#N)CCO3)C2)c(=O)nc1O 1785353536 MJMSOBYIASOLBG-GOSISDBHSA-N 389.412 -0.609 30 20 GBED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2C1 1786260080 HOVHCYJEVRRXBS-XEZPLFJOSA-N 387.440 -0.204 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSCC(=O)OC)C2 1793340173 OILBNPIZCBUFCY-VWPFQQQWSA-N 398.481 -0.480 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(=O)OCC)CC1)C2 1793348072 ZCZWZSPACKTXPW-JONQDZQNSA-N 392.452 -0.042 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(N)=O 1793432963 TZELOIZLQKYHBV-IPVBOJNNSA-N 382.461 -0.112 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)nn1C 1794344017 WBNAHCJZLPESEZ-VWPFQQQWSA-N 390.440 -0.330 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCSC 1801024985 WYIHEFHFUZNPIY-IBEHDNSVSA-N 384.498 -0.272 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)Cn2nccn2)[C@@H]1c1cccnc1 1808961486 QYUMEEOKGWOREV-KSSFIOAISA-N 382.380 -0.533 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)C1 1829665126 UDERDDLVYUCEOR-HNAYVOBHSA-N 377.441 -0.312 30 20 GBED CC(=O)NCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831221190 HIBPFPIDLFEEAC-IBGZPJMESA-N 377.441 -0.618 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)OC)C2)C1 1831388564 UTMKJOCAEKLFLE-HNAYVOBHSA-N 382.457 -0.094 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CC(N)=O)CCO2)C1 1831598935 XEXPNZFRYDUPDX-SPYBWZPUSA-N 397.472 -0.455 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1832460977 MUPDGBKRTNABAV-KSSFIOAISA-N 399.513 -0.113 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1835313678 VEEXEDOFLHJRRH-DDUZABMNSA-N 399.513 -0.324 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H](N)c1cccnc1)CCO2 1835829188 WBCBACHLCUUCSA-VQIMIIECSA-N 387.440 -0.158 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2 1837357945 MHNQALAUYGPALS-QGZVFWFLSA-N 396.469 -0.762 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1837402192 FONPLHMACYVJIS-AUUYWEPGSA-N 394.424 -0.896 30 20 GBED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2 1846979175 TYWMGZMDMWPJTH-HNNXBMFYSA-N 399.451 -0.267 30 20 GBED C=CC/N=C(\NC[C@@H]1CCS(=O)(=O)C1)N1CCN(c2cnn(C)c2)C(=O)C1 262414618 PZXQTTYNHLGOGZ-AWEZNQCLSA-N 394.501 -0.365 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccn(CC(=O)OCC)c2=O)C1=O 270030718 YAMGRLRPXSMGMP-UHFFFAOYSA-N 390.352 -0.673 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N(C1CC1)[C@H]1CC(=O)NC1=O)c1cc[nH]n1 277927543 FQAVVPGAOPPCQE-BTNWAMHGSA-N 377.357 -0.900 30 20 GBED N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 280915923 NWPSSMJBURFVCZ-INIZCTEOSA-N 378.396 -0.402 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCN(C[C@H](C)O)C[C@@H]1C)c1cc[nH]n1 281602583 OAODGPRDPMULFQ-YCVWFKSCSA-N 381.433 -0.393 30 20 GBED N#Cc1ncn(CCNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)n1 285765517 XNWPEVWKOYEVAB-UHFFFAOYSA-N 388.409 -0.245 30 20 GBED CS(=O)(=O)Nc1ccc(OCCNC(=O)NCCn2cnc(C#N)n2)cc1 286948594 PSXSPZKQVVLDJS-UHFFFAOYSA-N 393.429 -0.101 30 20 GBED C[C@H]1C(=O)NCCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 288807269 GJFXTHFKLOFQLU-SWLSCSKDSA-N 383.408 -0.483 30 20 GBED C[C@H](CN1CCN(C)CC1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 290283039 QZFGSOHDTXZGFI-CQSZACIVSA-N 379.486 -0.411 30 20 GBED C[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCS1(=O)=O 290333241 CTPXUBGFOHBVRA-LBPRGKRZSA-N 385.467 -0.128 30 20 GBED CC(C)N1CCN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1=O 297438660 BEAYNDGWJHFZKG-UHFFFAOYSA-N 384.440 -0.319 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(/C(O)=N/[C@@H]3CCCOC3)CC2)CC1 329203437 YLHBQSYBMQOIAN-CQSZACIVSA-N 375.495 -0.811 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(/C(O)=N/CCN2CCC(N(C)C)CC2)CC1 330486760 FRWIZQFKPUYEGL-UHFFFAOYSA-N 396.536 -0.405 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCNC(=O)C[C@H]1C 349602229 PYJNMLMESKGPSD-CHWSQXEVSA-N 394.519 -0.520 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CCOC(C)C)CC2)C1=O 410882450 IBCQFQHIHOTTJG-MRXNPFEDSA-N 380.489 -0.199 30 20 GBED COC(=O)[C@@]1(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCOC1 482863204 ZEKLOCHGGPJHNT-MEDUHNTESA-N 381.410 -0.327 30 20 GBED N#Cc1cc(Br)cc(S(=O)(=O)NCC(=O)NCC(=O)O)c1 548524970 KLEUEZFJAKILKG-UHFFFAOYSA-N 376.188 -0.200 30 20 GBED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCNS(=O)(=O)c1cccnc1)CC2 555771787 GZBFWBLRLSPIRH-UHFFFAOYSA-N 399.432 -0.063 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 558672099 FQXGNQFIGIDOPF-AAEUAGOBSA-N 397.505 0.155 30 20 GBED CN(C)c1nccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)n1 562895815 SCFAMOINYOYDCS-UHFFFAOYSA-N 394.439 -0.226 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 573579102 OHUXGSUPJQPMRT-DZGCQCFKSA-N 378.454 -0.465 30 20 GBED CN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1=O 584477522 KDWQKQIWTTUYEN-OAHLLOKOSA-N 383.408 -0.924 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)CC(=O)N2CCN(C)CC2)CC1 602989120 DMFSSOXBWQDARP-KRWDZBQOSA-N 378.521 -0.615 30 20 GBED CN1CCc2cc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)ccc21 752733840 GUGXOSICIMEUBP-UHFFFAOYSA-N 377.426 -0.611 30 20 GBED C[C@@H](CC(=O)NCCC(=O)NC(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 758297611 FFPYGLPQALCBKC-VIFPVBQESA-N 381.414 -0.795 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1cnn(CC#N)c1 763028552 HCEWXIOZGXGJTJ-SNVBAGLBSA-N 376.398 -0.189 30 20 GBED CNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767678840 YKCCWPAXIHNJMN-ZJUUUORDSA-N 382.398 -0.388 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2cnc(C(C)(C)C)nc2)c(=O)n(C)c1=O 814883225 FHAOZONZBRIVCB-UHFFFAOYSA-N 380.430 -0.516 30 20 GBED C#CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 839248203 JKBBYBVBIBIBRC-UHFFFAOYSA-N 384.502 -0.269 30 20 GBED N#Cc1cnn2c(O)cc(COC(=O)CC3(n4cnnn4)CCOCC3)nc12 850232755 OVOHEQRNOTWSKX-UHFFFAOYSA-N 384.356 -0.068 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 893293204 FLPGDVVQPZIHTN-GRLWGSQLSA-N 375.381 -0.263 30 20 GBED COC(=O)CNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 913242322 BWWRLZQBVGJHMF-SNVBAGLBSA-N 383.382 -0.943 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 997364674 QLJIOALRVIPHEL-MUGBGTHKSA-N 388.428 -0.784 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2CCNC(=O)C2)cn1 999123178 NBLXAGGEPTZCMN-IKGGRYGDSA-N 381.436 -0.644 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOC)c2)C1 1025071921 RQTYJUZCEGEENZ-FPCVCCKLSA-N 378.429 -0.578 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)C[C@H]1O 1025712638 WCDWMMPTJGAXMX-MIGQKNRLSA-N 388.424 -0.998 30 20 GBED Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncccc2C#N)c(=O)n(C)c1=O 1055387751 OCCDBBPDBVFPSW-YUELXQCFSA-N 380.408 -0.110 30 20 GBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCC(=O)NC1=O 1109937660 IHALUNVTKCLPES-CRWXNKLISA-N 377.445 -0.660 30 20 GBED CNS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 1117352697 YSBHELFFQSMGFG-LSDHHAIUSA-N 378.454 -0.050 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CCC[C@@H]3C3OCCO3)CC2)c1 1120405214 VERXDRCIIGKQOI-OAHLLOKOSA-N 385.424 -0.034 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 1261154556 NWQRNYCDYDLALD-CYBMUJFWSA-N 387.433 -0.120 30 20 GBED C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 1261698501 LHRUSMPPRHAQNL-LLVKDONJSA-N 384.483 -0.182 30 20 GBED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H](C)C(=O)NC)C1=O 1323609198 RINMJVDZBNLLHK-SKDRFNHKSA-N 391.453 -0.012 30 20 GBED COC(=O)NC1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1342867791 JJTRUHYUJZBLQM-HNNXBMFYSA-N 399.407 -0.658 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N(C)CCN1CCOCC1 1351573376 CKSXOUAHSKDGLY-UHFFFAOYSA-N 389.460 -0.703 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573350913 LCGDHVTZQZGIFS-ZRJCITRHSA-N 387.400 -0.913 30 20 GBED C#CCN(C(=O)CN(C)CCC)C1CCN(CC(=O)NCc2cnn[nH]2)CC1 1574895472 VIZLYHUOQSRPSJ-UHFFFAOYSA-N 389.504 -0.311 30 20 GBED C#CCN1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H](C)OCc3cnn[nH]3)C2)CC1 1574986221 WIHHGSQAIPWKJX-CVEARBPZSA-N 388.472 -0.274 30 20 GBED C=C[C@](C)(O)CC(=O)NC1CC2(CC(NCC(=O)NCc3cnn[nH]3)C2)C1 1575072133 GHVMYPCOGFKPDN-RXFZURLPSA-N 376.461 -0.235 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)N1CCOC2(CN(Cc3cnn[nH]3)C2)C1 1575108670 OVQSVFPFPBQDOC-UHFFFAOYSA-N 377.449 -0.518 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(F)c(-c3nn[nH]n3)c2)CC1 1588354180 SHASOUSFODTEBO-UHFFFAOYSA-N 393.404 -0.769 30 20 GBED C=CCOCC(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[nH]n2)C[C@H]1O 1588675867 KQOIHNQLANNKGI-HTQZYQBOSA-N 385.837 -0.155 30 20 GBED C=CCn1cc(C(=O)N[C@H](C)CCCN=c2cc[nH]c(-c3nn[nH]n3)n2)nn1 1588713701 QHYZTLAKPJIYKJ-LLVKDONJSA-N 383.420 -0.133 30 20 GBED CN(C)S(=O)(=O)NCCNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1591023489 PTWONSVUVUXSOF-CYBMUJFWSA-N 392.445 -0.939 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H](C(=O)O)[C@@H]2CCOC2)c1 1601121318 KSATUEOQENNHTE-OCCSQVGLSA-N 381.410 -0.310 30 20 GBED C=CCCOCC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@H]1OC 1602844571 QAOQXMHNYOCMDL-ZIAGYGMSSA-N 388.432 -0.122 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1609052414 BBMUOSZILKIFST-CYBMUJFWSA-N 386.416 -0.773 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](O)C[C@@H](C(=O)O)C1 1609783350 MDIOYVWTNQDGFD-UHTWSYAYSA-N 381.410 -0.481 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](CO)Cc1cnn(C)c1 1639488604 ZZKINCUTKSNUEI-DOMZBBRYSA-N 391.453 -0.322 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777832785 JZGIBTXIGGLEQC-BDJLRTHQSA-N 376.442 -0.114 30 20 GBED CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1779035445 HKWMNFJZJXQSCZ-QGZVFWFLSA-N 381.502 -0.150 30 20 GBED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](N)CN)C3)cc1 1780409941 FKTQBERWZGWSMH-SQGPQFPESA-N 385.468 -0.028 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1781391395 UIFBDKPWRKLUFJ-LPHOPBHVSA-N 396.488 -0.051 30 20 GBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1781693354 IJLCLFDTWCYJNR-OXQOHEQNSA-N 399.451 -0.223 30 20 GBED N[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1cccnc1 1783562859 RRXFHPXVONZDCS-HNAYVOBHSA-N 386.408 -0.611 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1783566813 JZLSTHKXWVNNLO-GOSISDBHSA-N 387.348 -0.658 30 20 GBED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)S)C[C@@H]21 1788476533 YSMGUCWIOAJVNL-DKKFBCOVSA-N 389.474 -0.651 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCN(C)C4)[C@H]2C1 1790523537 ANVMXZBUIVBNEX-ZVZYQTTQSA-N 385.468 -0.055 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C\C(=O)NCC=C 1792484513 JSOWMDRSOUVEBH-ZMUHSLDUSA-N 389.452 -0.527 30 20 GBED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNCP(=O)(O)O)C2 1793566255 KJPOLBMOZGGRLD-FQUUOJAGSA-N 387.373 -0.612 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3c1OCO3)C2 1800777831 HQRSKPLEPOPGEH-QHBPRCKVSA-N 387.348 -0.899 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)Cc1ccccc1)C2 1800779023 LVDNGGZZAMYAOM-YYAJDYIMSA-N 386.404 -0.732 30 20 GBED CC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1830524691 FXGVADOYVOJNEK-MAUKXSAKSA-N 376.413 -0.273 30 20 GBED Cc1noc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)n1 1831212755 DYAAFOHAKBFTCR-IBGZPJMESA-N 388.424 -0.210 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1831487345 NAFHRJMGOAPFFM-WBMJQRKESA-N 383.474 -0.171 30 20 GBED N#CCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1834399328 ZRAJRUNTFFTWGF-HNNXBMFYSA-N 378.477 -0.936 30 20 GBED NC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839863046 PPVIPJMZPRFDMW-NRFANRHFSA-N 399.447 -0.240 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1840169538 KDYUCUYLPHNUDG-KXBFYZLASA-N 377.441 -0.618 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)n2[nH]cnc2n1 1847802603 FKOLECOZNHANBN-XBFCOCLRSA-N 384.396 -0.729 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCOCC2)cc1 45067417 TUBIUAZABBRHBV-UHFFFAOYSA-N 394.453 -0.143 30 20 GBED Cc1nc(S(=O)(=O)N2CCN([C@H](C)C(=O)N(C)CCC#N)CC2)cn1C 268876818 JCMHDPGJENHFPF-CYBMUJFWSA-N 382.490 -0.205 30 20 GBED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1C#N 269839235 VFVYLZWYYHPHAA-ZDUSSCGKSA-N 389.368 -0.222 30 20 GBED C[C@@H](O)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 275423680 IUVIRLCGPRBLKF-ZIAGYGMSSA-N 380.470 -0.250 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCCO[C@H]3CCOC3)CC2)nc1 288800552 IPXWVUONEJTHDU-INIZCTEOSA-N 387.440 -0.086 30 20 GBED N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3cccnc3)CC2)nc1 289850135 FTRBWRFTZLUBNC-UHFFFAOYSA-N 386.437 -0.025 30 20 GBED C[C@@H]1CN(C(=O)Cn2cc(N=C(O)N[C@]3(CO)CCOC3)cn2)C[C@@H](C)O1 329824258 HUKFOQJUTXZWPK-XNJGSVPQSA-N 381.433 -0.195 30 20 GBED Cn1ccnc1[C@H]1N(S(=O)(=O)CCCS(=O)(=O)NCC#N)CC1(C)C 349461937 AIMILOUYCQLXLQ-GFCCVEGCSA-N 389.503 -0.034 30 20 GBED CC(C)n1[nH]cnc1=NS(=O)(=O)CCCS(=O)(=O)N1CC(C)(C#N)C1 349480788 YLNNXCMGWOBAQJ-UHFFFAOYSA-N 390.491 -0.412 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)N2CCCOC2)n1 349503273 HTGDAYJKHLRBKM-UHFFFAOYSA-N 377.448 -0.567 30 20 GBED CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)NCC1(C)C 349507479 YGPJVYPOTAYRON-LBPRGKRZSA-N 394.519 -0.520 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N[C@]2(C#N)CC2(C)C)C[C@@H]1O 349518348 GXOAOHPPRYQLQW-DYEKYZERSA-N 379.504 -0.369 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 349610460 JUVSLGSCRFNJHY-PKCACUDHSA-N 391.515 -0.371 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O 409510241 LYDLCIGTRANZCZ-OLZOCXBDSA-N 382.508 -0.599 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 410132148 BSSYPLWRBHDISM-ZIAGYGMSSA-N 396.535 -0.209 30 20 GBED CN(CCC#N)S(=O)(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 431636488 PSSLMOZXBVUQGY-UHFFFAOYSA-N 376.460 -0.265 30 20 GBED Cn1c(=O)c2c(ncn2CCC(=O)NC[C@@H]2CCCN(CC#N)C2)n(C)c1=O 531358698 OXSTYAGCFGNYMS-ZDUSSCGKSA-N 387.444 -0.824 30 20 GBED CN(C)CCNC(=O)[C@H](Cc1ccccc1)Nc1c(C#N)c(=O)n(C)c(=O)n1C 534493539 HYDNRRKHOZFXFV-INIZCTEOSA-N 398.467 -0.343 30 20 GBED Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 543522900 MCWPTBSWVLOHQN-CYBMUJFWSA-N 382.380 -0.031 30 20 GBED N#Cc1ccc(F)c(CS(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)c1 547930370 FTTHEUUNFWRMSG-GFCCVEGCSA-N 376.387 -0.289 30 20 GBED CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)c1 592302923 XNFCGLSBDUUUII-INIZCTEOSA-N 398.416 -0.108 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3CC[C@@H](C(=O)O)C3)n2)cc1 592425039 RGKNIZQJNGHINC-KGLIPLIRSA-N 382.380 0.506 30 20 GBED Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC[C@@](C)(C#N)C3)cnc2n(C)c1=O 612271780 OVLFVFZTPIXJLD-SFHVURJKSA-N 384.396 -0.277 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCSC[C@@H]2CC(=O)OC)c1=O 740854752 GADKAVPMTOXHIY-ZDUSSCGKSA-N 396.469 -0.518 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)OCCN2CCCS2(=O)=O)c1 773114772 AYULKWPFMWNAJX-UHFFFAOYSA-N 386.451 -0.210 30 20 GBED C#CCCN1CCN(c2nc(=NC)nc(N3CCN(CCC#C)CC3)[nH]2)CC1 774530027 YEVXHSULPOBOEV-UHFFFAOYSA-N 382.516 -0.374 30 20 GBED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC(=O)NC1(C#N)CCC1 789108854 HUOCIUFPUXYSST-INIZCTEOSA-N 392.412 -0.292 30 20 GBED C#CCN(CC#N)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 799086227 RQHXTTDZIZMVCZ-HNNXBMFYSA-N 397.478 -0.246 30 20 GBED C#CCNC(=O)CN1CCN(C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)CC1 844289292 ATDGCNZVAZXZEX-LJQANCHMSA-N 382.505 -0.029 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCCn2nc(C)cc2C)CC1 891488747 ZHDAWBNPAXJBJN-UHFFFAOYSA-N 382.490 -0.315 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914652351 KTQGHQDGIPDHMR-XNJGSVPQSA-N 399.469 -0.380 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(CC(=O)NC)no1 1109204224 HNRUUIFKAUTMOJ-OXRQTFEDSA-N 377.445 -0.093 30 20 GBED COCCn1cc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)ccc1=O 1115907480 YMCUSOSVQRZCRX-UHFFFAOYSA-N 384.396 -0.072 30 20 GBED C=C(Cl)CNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1130235093 TYWXYKRNADOTGL-USZNOCQGSA-N 382.852 -0.243 30 20 GBED C=CCNC(=O)CNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1319971522 XUZLEEMPOWOIGP-UHFFFAOYSA-N 388.490 -0.439 30 20 GBED CCN1C[C@H](C)N(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1326597127 PELZVZAQOIHFFD-CRQJOFGKSA-N 377.445 -0.430 30 20 GBED C#Cc1ccc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nc1 1338573673 HBNJHENMKJTSQU-OAHLLOKOSA-N 391.449 -0.449 30 20 GBED CN1C[C@H](C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c2ccccc2C1=O 1341806204 XSKFIGHVHDPGKF-CABCVRRESA-N 389.433 -0.178 30 20 GBED C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1469559116 KKIRCDJUZAVVTM-WPRPVWTQSA-N 387.318 -0.121 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(C)(C)O 1541946096 PTNMHLIUEMSAGA-NEPJUHHUSA-N 386.478 -0.222 30 20 GBED C#CCNC(=O)[C@@H](C)NC[C@](C)(NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC1 1573285213 FCHARRRGOHJHSY-ZMZPIMSZSA-N 384.444 -0.179 30 20 GBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@@H]1C 1573285671 KXTMJAFMSZAWLX-JSGCOSHPSA-N 384.444 -0.368 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)CCCc1cnn[nH]1)C2 1575108087 GFFJLADODITONH-GJZGRUSLSA-N 389.460 -0.186 30 20 GBED N#Cc1cc(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3cnn[nH]3)nc2)c[nH]1 1577712400 LSIDKQLFWMFBDO-ZDUSSCGKSA-N 380.368 -0.413 30 20 GBED N#Cc1ccc(C(=O)N2C[C@H]3[C@H](NC(=O)c4c[nH]c(-c5nn[nH]n5)c4)[C@H]3C2)[nH]1 1581868151 KTPPLGAIIBKWRY-YABSGUDNSA-N 377.368 -0.105 30 20 GBED C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O 1589897612 WUUXQKBATLRPJM-LLVKDONJSA-N 394.395 -0.004 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N(CCO)CCN1CCOCC1 1592666523 ZPXJKEIYDHHZEN-KRWDZBQOSA-N 399.455 -0.298 30 20 GBED C=CCN1CC[C@H](N2C[C@H]3[C@H](NC(=O)c4ccc(-c5nn[nH]n5)[nH]4)[C@H]3C2)C1=O 1602862536 JMWHXVXMXCHWKG-IDTSFGKNSA-N 382.428 -0.358 30 20 GBED CN1CCN(C(=O)CC2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)CC1 1604862366 GLPUFYSSOAGLGQ-UHFFFAOYSA-N 396.459 -0.091 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCc2cnn(C)c2C)C1 1757002963 BFIKAISWCMFILQ-VQHPVUNQSA-N 376.457 -0.060 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777934869 STBSLBROGTTYJN-GOSISDBHSA-N 383.364 -0.739 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1779311703 XOPSMRRJRFOZEG-QAPCUYQASA-N 399.513 -0.113 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1790793690 BKBMQZXEZXWTEX-ABHRYQDASA-N 381.429 -0.558 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncccn1)C2 1792485454 JXSVMNKIBAKLKX-ZXVJPIRHSA-N 385.424 -0.462 30 20 GBED CC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1830524689 FXGVADOYVOJNEK-CRAIPNDOSA-N 376.413 -0.273 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1831487973 UEUPBUSBNPBWKV-GUYCJALGSA-N 387.502 -0.515 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@H](NC)C(=O)O)CCO3)C2)C1 1835752210 PEEOHIFFIJMPPN-HNAYVOBHSA-N 395.456 -0.528 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)c1ccco1)CCO2 1836125158 NOZZCDNSIYJXAT-SFHVURJKSA-N 390.396 -0.621 30 20 GBED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)n1ccccc1=O 1837684892 XQSXCCSOZVTRLN-KXBFYZLASA-N 388.424 -0.221 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncon3)CCO2)C1 1838314272 SZPSTAYWJUDTRB-CXAGYDPISA-N 378.385 -0.822 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1840043002 BDQWERLGGJNCND-LJQANCHMSA-N 387.392 -0.832 30 20 GBED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1)n1cncn1 1840416978 BIWUEHVFTNSHKJ-RHSMWYFYSA-N 376.417 -0.401 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1840841320 PYNPUVDCDHHVDW-HXUWFJFHSA-N 387.436 -0.131 30 20 GBED CN[C@@H](CC(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2)C(=O)O 1842951527 OLCVNKDFLSIMFQ-HNNXBMFYSA-N 391.468 -0.049 30 20 GBED C#CCNC(=O)COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 8155884 HATBTTSVPOMGDC-UHFFFAOYSA-N 394.449 -0.067 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc(=O)n3ccc(C)cc3n2)c1=O 31751547 XZJLSVZAZDUOCX-UHFFFAOYSA-N 381.392 -0.092 30 20 GBED C=CCN1CC[C@H](N(C)S(=O)(=O)c2cnc3c(c2)c(=O)nc(O)n3C)C1=O 281496964 KQPNALZUTJQEJU-LBPRGKRZSA-N 393.425 -0.559 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CC(C(N)=O)=NO2)ccc1F 281814116 KUYGUURPOFVHMT-SNVBAGLBSA-N 384.389 -0.350 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCn2cncc2C1 349509834 ZHURVFMVEZYWPM-LBPRGKRZSA-N 375.476 -0.360 30 20 GBED Cc1nc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C)(C#N)C2)nn1C 349633503 ZIANNOLEPWNGES-UHFFFAOYSA-N 390.491 -0.179 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)cc1 365282031 XHVCARXHRGMGBT-OAHLLOKOSA-N 399.494 -0.248 30 20 GBED CN1CC[C@@H](CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1=O 425904527 LULMYCNGZWIGBM-CQSZACIVSA-N 384.440 -0.414 30 20 GBED C=CCN1CC[C@H](N(C)CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)C1=O 500009983 FKUAGZKMRWTFIU-GJZGRUSLSA-N 387.502 -0.633 30 20 GBED CCOC(=O)CN(CC(N)=O)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 503202162 QEJKEZKNJLHDNG-UHFFFAOYSA-N 396.425 -0.944 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCC(=O)OC(C)(C)C)c1=O 542215248 ZRTSACDBHUWKOG-UHFFFAOYSA-N 380.401 -0.998 30 20 GBED COC(=O)[C@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCO1 553499746 JKPGXFGSFKKVMG-CYBMUJFWSA-N 381.410 -0.189 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2CS(N)(=O)=O)c1 564468309 DAYZDKYEWHPRNU-GFCCVEGCSA-N 386.455 -0.884 30 20 GBED N#CCC1(O)CN(S(=O)(=O)c2ccc(S(=O)(=O)Nc3nc[nH]n3)cc2)C1 574466385 YFKTUDPZPGXSNU-UHFFFAOYSA-N 398.426 -0.745 30 20 GBED COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(=O)Nc1cccc(C#N)n1 592290201 YOJVSWRMCYSJKD-LBPRGKRZSA-N 375.385 -0.288 30 20 GBED Cn1c(N[C@@H]2CCCN(CCN3CCOCC3)C2)c(C#N)c(=O)n(C)c1=O 603424457 WWMIYJQMUFYJAX-CQSZACIVSA-N 376.461 -0.836 30 20 GBED N#Cc1c[nH]ccc1=NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 609286362 BQESIYJHSKYCMU-UHFFFAOYSA-N 385.405 -0.252 30 20 GBED C=CCN(C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[C@H](C)COC 658374399 OKFXHYPUWZETIM-CQSZACIVSA-N 393.444 -0.270 30 20 GBED N#C[C@H](C(=O)c1cnn(-c2ccc(F)cc2)n1)C(=O)N1CCS(=O)(=O)CC1 739182488 BAZKYWSKQTUKKN-CYBMUJFWSA-N 391.384 -0.014 30 20 GBED C#CCN(C)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 760525287 RMDFVLDJGVAJPR-CYBMUJFWSA-N 395.437 -0.538 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccnn2C(C)C)CC1 761038037 NCWRKAIPTGABME-AWEZNQCLSA-N 382.490 -0.124 30 20 GBED COC(=O)CN(CC#N)C(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O 771362754 ONUPLAOZDUWHMN-GOSISDBHSA-N 388.380 -0.013 30 20 GBED C#C[C@H](NCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 775788817 JQTGRCZIKDNREY-QZWWFDLISA-N 384.498 -0.049 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN(C[C@H]3CCCO3)CC2)C1=O 787119812 YKMYOSDUYNENRL-SJORKVTESA-N 392.500 -0.009 30 20 GBED CN(CCCC(=O)NCC(=O)NCC#N)C1=NS(=O)(=O)c2ccccc21 804819771 JHOJBWGUELLWGH-UHFFFAOYSA-N 377.426 -0.397 30 20 GBED CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1 809501059 BPMHVZJIVSYITF-UHFFFAOYSA-N 387.440 -0.537 30 20 GBED COC(=O)[C@@H]1CNCCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 843481003 ZYCSZYSOBOLVDZ-ZDUSSCGKSA-N 394.453 -0.521 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)CN2CCCC2)CC1 894417476 ODJMBANMBAEJQO-UHFFFAOYSA-N 385.534 -0.097 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@@H]2O)nn1 964280011 YUNIOAWBQZHFOX-UVQHHTHUSA-N 375.429 -0.277 30 20 GBED C=CCCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3OCC[C@H]3CC)C2)nn1 968381656 SSOKAONSAMJMGV-VDERGJSUSA-N 377.445 -0.029 30 20 GBED C[C@@H]1CCO[C@@H]1C(=O)N1CCN(c2ccnc(C#N)n2)[C@H]2CS(=O)(=O)C[C@H]21 1054788430 XSCRNMDITVLKLO-IATRGZMQSA-N 391.453 -0.413 30 20 GBED O=C(N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1)[C@@H]1OC[C@@H]2COCC[C@@H]21 1056041998 INEBHGZMHNKTOQ-YTXYEVPYSA-N 376.453 -0.079 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCN(C2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 1073573018 UNEOQVNFCIEDQF-HPBDAGMYSA-N 375.469 -0.053 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc(-n2cnnn2)cn1 1109548983 CYBVZXJBUSSOBI-KCXAZCMYSA-N 382.428 -0.305 30 20 GBED CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110116515 PWZYDTJPUNYXNL-FXUDXRNXSA-N 375.473 -0.005 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC[C@H]1CCOC1 1110465885 XUXOBCWJBFGRCM-FPCVCCKLSA-N 376.457 -1.000 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc(S(N)(=O)=O)o1 1110765788 QOKYZJCJDLXYIQ-UTUOFQBUSA-N 380.426 -0.989 30 20 GBED N#CCN1CCC(NC(=O)C(=O)NCCNC(=O)c2ccc(F)cc2)CC1 1117317421 VPTZMZCPQMSGOS-UHFFFAOYSA-N 375.404 -0.224 30 20 GBED COCC(=O)N1CCc2c(NC(=O)Cn3cc(C#N)c(O)nc3=O)cccc21 1153877298 RAZAACBJWXHOHC-UHFFFAOYSA-N 383.364 -0.005 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 1322619075 UFAWVOFCNXSFBX-UHFFFAOYSA-N 379.438 -0.678 30 20 GBED C#CCOCCNC(=O)C(=O)NCCNC(=O)c1ccc(Br)cn1 1328068642 DNPDVACSFHRHPO-UHFFFAOYSA-N 397.229 -0.544 30 20 GBED N#Cc1cnn2cc(CN[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)cnc12 1349410445 VKSOCPOZSHZZPV-HUUCEWRRSA-N 376.442 -0.812 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2[C@H]2CCC(F)(F)C2)CC1 1352545642 AGYOBUFIKDUHOC-NSHDSACASA-N 375.405 -0.377 30 20 GBED C=CCCO[C@@H](C)C(=O)N1C[C@@H]2CN(CC(=O)NCc3cnn[nH]3)C[C@@H]2C1 1575100294 OGEFNAQZIPBNDO-SOUVJXGZSA-N 376.461 -0.208 30 20 GBED Cc1nc(N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)ccc1C#N 1581483925 YGIBCHYAOUGTOU-KGLIPLIRSA-N 379.384 -0.251 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[nH]n4)cn3)C2)nn1 1588713698 QCACMRAOCGGXHD-LLVKDONJSA-N 381.404 -0.167 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](CN=c2cc[nH]cc2-c2nn[nH]n2)C1 1588721752 MJNLUJZKJWNUDD-ZENOOKHLSA-N 385.428 -0.086 30 20 GBED C=CCOC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)O 1588850963 MCNQALGJEFGJSY-RISCZKNCSA-N 381.410 -0.003 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C)c1ncc(C(=O)O)s1 1588878569 DJTDTNFXEBYEGU-QMMMGPOBSA-N 375.428 -0.265 30 20 GBED C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1CNCC(=O)NCC#N 1590268040 TZMHTXVFBMZJOQ-DGCLKSJQSA-N 385.432 -0.478 30 20 GBED N#CCNC(=O)CNCC[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1592678065 NHHCGXKUBSEWAV-LBPRGKRZSA-N 385.432 -0.334 30 20 GBED C#CCO[C@H](C)C(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[nH]n3)nn2)C1 1602724869 HMBSXSLGFRIUHJ-SJKOYZFVSA-N 386.416 -0.858 30 20 GBED Cc1cc(O)nc(N2CCC[C@H](NS(=O)(=O)N3CCO[C@H](C#N)C3)C2)n1 1671505569 STDJTPOESSLYIZ-QWHCGFSZSA-N 382.446 -0.482 30 20 GBED C=CCC1(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@H](OC)C2)CCOCC1 1757148742 WTHGXWMIOLILPV-LXTVHRRPSA-N 379.457 -0.177 30 20 GBED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1782174728 BRQJXWFRKZZJEB-SHFDMQKMSA-N 398.485 -0.583 30 20 GBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1783052900 QTEDVCUNLLVFKE-KUHUBIRLSA-N 395.456 -0.275 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(C)=O)C[C@@H]21 1788576405 SEWLKYINDMBNSR-VGWMRTNUSA-N 381.473 -0.325 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2 1793357905 FLNCXZNMNZPISL-JFILPPLUSA-N 392.460 -0.500 30 20 GBED CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)N(CC)CC 1793461338 FOGZJORMGZHNHK-BASYENTBSA-N 379.457 -0.216 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)COCCO)[C@H]1c1cccnc1 1812880637 RNBMUBLDHCKKPI-KSSFIOAISA-N 375.381 -0.816 30 20 GBED COC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1813269298 QMVJWDOGTFAWPK-SUMWQHHRSA-N 388.380 -0.469 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1831424524 KYXIJSVGZPAVNP-MAUKXSAKSA-N 393.444 -0.674 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1831425326 CDRJWPGEJRTYLS-FZKQIMNGSA-N 394.428 -0.224 30 20 GBED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338347 FEPFNINPZQHHGL-KUHUBIRLSA-N 392.456 -0.339 30 20 GBED Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)n1 1836066154 MCOXIGVALZVBBJ-SFHVURJKSA-N 391.428 -0.073 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncon3)C2)C1 1837399546 VZDJKYDCNHYPPK-FZKQIMNGSA-N 394.428 -0.287 30 20 GBED CO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840209386 NMRFEDDNBREYEM-AZSZKOAISA-N 396.488 -0.051 30 20 GBED CN1CCN(CC(=O)N2CCCC23CN(C(=O)/C=N/N2CCCCC2)C3)CC1 1843914948 NYJPZDRUGRQDPB-KGENOOAVSA-N 390.532 -0.091 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O 1848132061 VVIUPKUEMBBPJS-MROQNXINSA-N 378.429 -0.641 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(CC(=O)Nc2cc(C)on2)CC1 24810136 IEXOCOZCRZVAKI-ZDUSSCGKSA-N 378.433 -0.061 30 20 GBED C/N=C(/NCCN1CCOC[C@@H]1C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 261856301 YRKQIJSJELVCIC-SCLBCKFNSA-N 380.493 -0.407 30 20 GBED CN(C)C(=O)CN/C(=N\C1CCOCC1)NC[C@H]1CCCN1S(C)(=O)=O 262323576 SNNXUVHCJRGRPH-CQSZACIVSA-N 389.522 -0.787 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CN(C)CCN1C 268852603 YJKUOCUXKJAOHT-DZGCQCFKSA-N 379.486 -0.413 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CCO1 273320637 PKTIZCLHJPGHBU-CYBMUJFWSA-N 378.410 -0.183 30 20 GBED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c(F)c1 283109725 AZBZZWIQJPPZQQ-JTQLQIEISA-N 376.319 -0.946 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 330650306 JJYWAIOPKWWJAX-KXBFYZLASA-N 393.488 -0.568 30 20 GBED CNS(=O)(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 364310922 VCZKYWXEZMLFRY-HZPDHXFCSA-N 385.534 -0.308 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)CCO1 409484699 HRBMWHNKQUKUGQ-PBFPGSCMSA-N 387.421 -0.199 30 20 GBED CNS(=O)(=O)c1ccc([C@@H](C)NS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1 409571856 RYKIMBVXRHSVHF-YPMHNXCESA-N 388.471 -0.286 30 20 GBED C=CCN(CCOC)C(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 410908250 GUMLNNLGIKMUPD-MRXNPFEDSA-N 380.489 -0.198 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NC[C@H]2CNCCCO2)CCN1Cc1ccccc1 420180478 BNFGZJUUSZMVEH-ZWKOTPCHSA-N 385.468 -0.282 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(C)C(=O)[C@H]1C 440276167 ZLDVDFLITGXMKZ-GFCCVEGCSA-N 381.396 0.075 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 525196853 UCGUYBKNEYNPNN-SRABZTEZSA-N 390.440 -0.777 30 20 GBED N#Cc1cn(C2CN(C(=O)NC[C@H]3CCCCS3(=O)=O)C2)c(=O)nc1O 527851734 LZIPEWHIUNTNDB-GFCCVEGCSA-N 381.414 -0.646 30 20 GBED N#Cc1cccc(CNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)c1 550978505 LAQOJZFPNQFJBX-UHFFFAOYSA-N 393.451 -0.097 30 20 GBED N#Cc1ccc(O[C@@H]2CCN(C(=O)c3nc(N)nc(N4CCOCC4)n3)C2)nc1 570169037 MNLABNQHILFVDC-CYBMUJFWSA-N 396.411 -0.149 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCC1(N2CCOCC2)CC1 584497972 SWYVUENOAJMNGX-UHFFFAOYSA-N 389.460 -0.764 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)CC2)nc1 590981622 ZJMQCWQSVABCKR-HZPDHXFCSA-N 396.451 -0.129 30 20 GBED COc1c(C#N)ccc(=O)n1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 596282252 JNMKSZNOCWUYKM-UHFFFAOYSA-N 389.456 -0.213 30 20 GBED CN(C)S(=O)(=O)NCC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 597487326 LYBXQIVBABACTC-AWEZNQCLSA-N 379.442 -0.434 30 20 GBED N#CCCN1CCN(C(=O)C(=O)NC2CCN([C@H]3CCC[C@@H]3O)CC2)CC1 602257907 FPOVFJIYAYBOTR-IRXDYDNUSA-N 377.489 -0.462 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 609152422 FRDLZLZBMKNQQG-HNNXBMFYSA-N 384.440 -0.062 30 20 GBED C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 624986889 NAUULTLKBMVGRC-UHFFFAOYSA-N 383.420 -0.420 30 20 GBED C[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N1CCC(C(N)=O)CC1 727011165 ZQIQHXSMTJMOBH-LBPRGKRZSA-N 386.408 -0.056 30 20 GBED N#C[C@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)CCO1 737677186 AHZBJCMCVZPBPY-AWEZNQCLSA-N 382.384 -0.187 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2cc3ccccc3nc2O)c(=O)n(C)c1=O 771888434 CCSVOYQQWMMHQW-UHFFFAOYSA-N 389.393 -0.350 30 20 GBED CNC(=O)[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 782088991 OPQAHUSARKCEGU-LBPRGKRZSA-N 380.426 -0.911 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC(C(N)=O)=NO2)cc1 787929175 HZTRLIXRVSBRBI-LLVKDONJSA-N 379.398 -0.761 30 20 GBED CCCCCCn1cc(S(=O)(=O)NCCn2cnc(C#N)n2)c(O)nc1=O 796140168 FBZUAWIIXIDIPJ-UHFFFAOYSA-N 395.445 -0.029 30 20 GBED C#CCC[C@H](O)CNS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O 831380770 IGRDSDYCUGJCBT-AWEZNQCLSA-N 394.449 -0.007 30 20 GBED C#CCO[C@@H](C)C(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 837849851 DGDPGAPIMXTHSI-ZDUSSCGKSA-N 399.403 -0.058 30 20 GBED C#C[C@H]1COCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 838266213 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C=CCOCCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@@H]1n1ccnn1 1130009520 SZVLMTCUOKVXHV-QXSJWSMHSA-N 376.461 -0.276 30 20 GBED CN(C)C(=O)COc1cccc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)c1 1141851900 IRUKJSSOKIYQMR-UHFFFAOYSA-N 385.380 -0.396 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 1261154557 NWQRNYCDYDLALD-ZDUSSCGKSA-N 387.433 -0.120 30 20 GBED CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)CC1 1261807090 JPWHKZGCEPZJCC-SFHVURJKSA-N 377.445 -0.664 30 20 GBED CC(=O)N1CCC(NC(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 1318186284 PEOFIJZPADXHLJ-UHFFFAOYSA-N 386.408 -0.042 30 20 GBED COC(=O)CN(CCN1CCN(C)CC1)Cn1nc(CC#N)n(C)c1=S 1321205118 UQYSGNVJOJPYKM-UHFFFAOYSA-N 381.506 -0.303 30 20 GBED CS(=O)(=O)N1CCC(N(CC(F)F)C(=O)Cn2cnc(C#N)n2)CC1 1321424019 PCEFCNYKMCAAHB-UHFFFAOYSA-N 376.389 -0.333 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1)[C@@H]1CCCO1 1323818882 BGOFBAJICADFDO-STQMWFEESA-N 399.494 -0.218 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 1326510574 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382.388 -0.261 30 20 GBED C#C[C@H]1COCCN1CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O 1602697597 YFPMRRKSXLFIPS-KSSFIOAISA-N 381.396 -0.075 30 20 GBED N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCn2ccnn2)CCO1 1620356900 LYOWLKJBEBCPHQ-AWEZNQCLSA-N 385.432 -0.189 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4ccsc4n3)C2)C1 1778632033 SJQNXWVMZZBXPP-KRWDZBQOSA-N 388.405 -0.073 30 20 GBED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1778955498 VRCYUZKZZUIHJX-SCLBCKFNSA-N 377.445 -0.172 30 20 GBED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1779322243 HFSFTUQWUREBEM-HNAYVOBHSA-N 392.456 -0.339 30 20 GBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1783052269 CIDYMSBDNOQEPF-AUUYWEPGSA-N 395.456 -0.275 30 20 GBED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1783889811 NINNIWXJWUIXSS-GTNSWQLSSA-N 393.469 -0.612 30 20 GBED CN1CCCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784121226 CIHUNQGGGRZMIS-VGWMRTNUSA-N 377.441 -0.462 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)C3=COCC3)C2)C1 1784760951 WFNXSHBHPPHIKQ-ZRHASKPBSA-N 375.425 -0.021 30 20 GBED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2C[C@H](O)CN2)C3)cc1 1792559323 VZBIGXAIZSJVPH-STEXWYFWSA-N 398.463 -0.587 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1793347612 GWTRQKOPFMFODF-IBEHDNSVSA-N 398.481 -0.809 30 20 GBED CC(=O)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1800540600 LSWSJXZRPCAXPF-DUHNODEQSA-N 393.488 -0.426 30 20 GBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1802020999 OYTRPLDAWNCMHX-AFIMGQEJSA-N 399.451 -0.402 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)[C@@H](N)CCC(N)=O)C2)CC1 1809675598 UVKUIUMCKNPIMB-HOTGVXAUSA-N 392.500 -0.151 30 20 GBED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](N)CN)[nH]n1 1814437035 CTNLIMMPUTWXAA-DIQTYVNISA-N 389.460 -0.454 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)N(C)C)C3)C2)C1 1829661292 RWVAABYEULDWRB-LJQANCHMSA-N 394.472 -0.320 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1831438072 LMROABDZCDPWET-DNVCBOLYSA-N 381.473 -0.405 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnco3)CCO2)C1 1831927588 NLFSRVABPXCORA-KSSFIOAISA-N 377.397 -0.217 30 20 GBED Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)n1 1833095051 TVHPSSHLRZYYNG-WMLDXEAASA-N 382.486 -0.034 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnncc1C(=O)O)CCO2 1837948823 BHKBCJQTCGDAOG-GOSISDBHSA-N 390.396 -0.179 30 20 GBED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839876965 FERDBRDEQZQGKL-ACJLOTCBSA-N 378.429 -0.729 30 20 GBED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1)C(F)(F)F 1839895218 QLBXVIHGGDLZMB-AWEZNQCLSA-N 394.350 -0.770 30 20 GBED Cc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1F 1840040975 JGGLASGYKGHINQ-KRWDZBQOSA-N 394.359 -0.985 30 20 GBED Cc1ccoc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042587 CIALAGRJZSWOLV-GOSISDBHSA-N 376.365 -0.254 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840106993 FPERBRFIPLDDTH-KSSFIOAISA-N 399.513 -0.226 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1840173719 NOVDVUCZCFVBTQ-IBGZPJMESA-N 380.489 -0.734 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1 1841960150 JRMIEJLIMCRAAD-NWDGAFQWSA-N 378.429 -0.639 30 20 GBED N=C1NCCN1CC(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1842909337 NRZIXHOHUKELHA-PPAWOMOGSA-N 392.460 -0.441 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C1CC1)[C@H]1CC(=O)NC1=O 268828148 VCVGTUDBGPXULO-HZMBPMFUSA-N 390.421 -0.369 30 20 GBED C[C@H](CN1CCN(C)CC1)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 268873933 DISQYMNPDNAYFS-HUUCEWRRSA-N 393.513 -0.023 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@H](C)O)CC2)c1 270861687 LTHFVZVRZUWSIQ-ZDUSSCGKSA-N 379.438 -0.737 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@](C)(O)Cn2c(C)cccc2=O)CC1 280880761 LVTXTYYSRHPSFL-FQEVSTJZSA-N 388.468 -0.809 30 20 GBED CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCCn1cnc(C#N)n1 286743087 GINNBQZBRVDEFX-AWEZNQCLSA-N 393.448 -0.069 30 20 GBED C/N=C(/O)CN1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 328878283 UNOLWRGKZXNFMI-JKSUJKDBSA-N 378.433 -0.951 30 20 GBED CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N1CC(C)(O)C1 349457250 FELQVCYTDCVNKR-UHFFFAOYSA-N 391.475 -0.697 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)[C@H](C)C1=O 349472716 HEVWJYZAWJMCEG-CHWSQXEVSA-N 394.519 -0.567 30 20 GBED CN(C1CC(O)C1)S(=O)(=O)CCCS(=O)(=O)N[C@@]1(C#N)CC1(C)C 349508738 XBXRDSLISWVZSY-ORHYLEIMSA-N 379.504 -0.227 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)NC1CCOCC1 349601855 KSCGWFSDMNATFD-CYBMUJFWSA-N 397.544 -0.254 30 20 GBED COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 410160958 WGWKINLQTDYPHW-LSDHHAIUSA-N 389.522 -0.519 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N(C)[C@H](C)CC(=O)OCC)CC1 410703726 JGMIIQATAOOFGV-CQSZACIVSA-N 382.461 -0.767 30 20 GBED CN(C)C(=O)[C@@H]1CN(C(=O)CSCC#N)CCN1C(=O)CSCC#N 434259108 FSQHQZORTJCVQA-LBPRGKRZSA-N 383.499 -0.372 30 20 GBED N#Cc1ccc(=NCCN=c2cncc[nH]2)[nH]c1NCCN=c1cncc[nH]1 436312504 ABWNIOJVZOPIOP-UHFFFAOYSA-N 376.428 -0.153 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCn2ccnc2)Cc2cnn(C)c2)C1=O 566348480 FKCWCGCCZVOYOX-UHFFFAOYSA-N 399.411 -0.378 30 20 GBED Cc1ccc(NC(=O)Cn2c(=O)[nH]cc(C#N)c2=O)cc1S(=O)(=O)N(C)C 572403558 PVZKGEZYVNMRBO-UHFFFAOYSA-N 391.409 -0.394 30 20 GBED Cc1c(C(=O)N2CCN(C(=O)CC#N)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 575786507 NLOYZRKRZVYNJP-UHFFFAOYSA-N 395.397 -0.251 30 20 GBED CCOC[C@H](C(=O)OC)N(C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 592776882 ZGUMSHUDUJYFLP-CQSZACIVSA-N 383.426 -0.127 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)OC)[C@H]2CCC[C@H](OC)C2)C1=O 593344731 BTCGVXBHALEEBE-OBJOEFQTSA-N 395.412 -0.174 30 20 GBED Cn1cnc(S(=O)(=O)NCC(=O)N2CCN(c3ccsc3C#N)CC2)c1 597936479 FOZAVGIJNCLOEC-UHFFFAOYSA-N 394.482 -0.020 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCN(CCOCCOC)CC2)CC1 653392915 NRECRHRDDAAFTJ-UHFFFAOYSA-N 382.505 -0.440 30 20 GBED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NC1CCOCC1 728088460 MVHHEABQIXPKGC-UHFFFAOYSA-N 381.410 -0.437 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)CC1 728533818 BVSCQFGSSDLCGG-GOSISDBHSA-N 384.436 -0.306 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)COCCNC(=O)OC(C)(C)C)CC1 732554395 RZKADLGSZLSZNZ-UHFFFAOYSA-N 382.461 -0.579 30 20 GBED N#Cc1ccc(CNC(=O)COC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1 749325302 PTOKVQXDWWKHDV-UHFFFAOYSA-N 391.409 -0.348 30 20 GBED Cc1ccnc2[nH]c([C@H](C#N)C(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)nc12 750721474 CRPGECJEZWPBRR-SNVBAGLBSA-N 392.379 -0.110 30 20 GBED C#CCNC(=O)C1CCN(C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 755258075 NQRXAUCUAMSWJD-MWDXBVQZSA-N 398.463 -0.036 30 20 GBED C[C@@H](CC(=O)N(CCN(C)C)CC(=O)O)/N=C1/NS(=O)(=O)c2ccccc21 769451327 FMILHHRMHPOOOI-LBPRGKRZSA-N 396.469 -0.022 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](CO)Cc2cnn(C)c2)c1 773443667 ZAEZHJRMOCEGBO-HNNXBMFYSA-N 390.465 -0.087 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)[C@@H]1CCCO1 809308402 KXTZRJTWUXBHID-IRXDYDNUSA-N 390.484 -0.560 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCO[C@H](C(=O)O)C3)n2)cc1 819100585 QVHFCRYXLMJJJI-ZDUSSCGKSA-N 384.352 -0.551 30 20 GBED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(C)c2)c1=O 837521599 CKDSDEOQYIMENV-UHFFFAOYSA-N 375.454 -0.681 30 20 GBED C[C@H]1CO[C@H](C)CN1CCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 855414098 WRGIKTNUMLUUNG-QWHCGFSZSA-N 380.470 -0.050 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)[C@H](OC)C2)nn1 944043708 CHTWNUZDIMDVCW-DPMUJHKHSA-N 387.440 -0.157 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 970677253 SPSOHEMETNTQDU-PUPMMZHASA-N 376.413 -0.604 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnn(C)c2C)C1 1023273208 FJHBUHWYPKADTG-NHIYQJMISA-N 377.445 -0.204 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCC(=O)N2CCCCC2)CC1 1117398911 XAQFOZSGPHSTCX-UHFFFAOYSA-N 376.457 -0.507 30 20 GBED CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O 1219825740 JHWLUIWYNSNHTD-XYVMCAHJSA-N 376.457 -0.208 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC3(CC2)C[C@@H](O)CCO3)CCN1C1CC1 1262524105 BOYXQUSAURDPDO-CVEARBPZSA-N 376.457 -0.282 30 20 GBED CNC(=O)CCCN(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1323634357 YJGONZPNJLQTBF-MRXNPFEDSA-N 399.451 -0.240 30 20 GBED N#Cc1cccc(CN2CCC(NC(=O)C(=O)N3C[C@@H](O)[C@H](CO)C3)CC2)c1 1332842369 NEZNQDIBUJYOQM-FUHWJXTLSA-N 386.452 -0.550 30 20 GBED CCOCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1343273944 UTUQOFRPFHTERV-HZSPNIEDSA-N 399.469 -0.726 30 20 GBED COC(=O)c1cccn(CC(=O)N(CCC#N)CCN2CCOCC2)c1=O 1544337336 QXLJQMOCLQZXLN-UHFFFAOYSA-N 376.413 -0.291 30 20 GBED N#Cc1cn(CCC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c(=O)nc1O 1557816649 ZEUJBWBWRYINMV-ZDUSSCGKSA-N 375.385 -0.893 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](CCNCC(=O)NCc2cnn[nH]2)C1 1575013860 UYFJIZBQUXYLPB-LSDHHAIUSA-N 376.461 -0.323 30 20 GBED C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)CCOCc3cnn[nH]3)[C@@H]2C)nn1 1575112200 QUAOXBCLISNVPO-GXTWGEPZSA-N 388.432 -0.092 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1OC 1588351236 KKRPFWDGCCOSFA-HZSPNIEDSA-N 397.443 -0.926 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588351560 ZFDKAMQKUGJCKV-HIFRSBDPSA-N 382.428 -0.377 30 20 GBED C#CCOCCC(=O)NC[C@@]1(O)CCN(c2nc(C)ccc2-c2nn[nH]n2)C1 1588362159 XIJXJKITEDNHHX-SFHVURJKSA-N 385.428 -0.333 30 20 GBED C#Cc1ccc(C(=O)NC[C@]2(O)CCN(c3nccnc3-c3nn[nH]n3)C2)nc1 1588371360 DXAAFIKJSBZGPG-GOSISDBHSA-N 391.395 -0.596 30 20 GBED CC(C)C#CC(=O)N1CCOC2(C1)CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 1603188814 GTWLXOLZBFARJP-UHFFFAOYSA-N 383.412 -0.092 30 20 GBED N#Cc1cncc(NCC2(O)CCN(c3cncc(-c4nn[nH]n4)n3)CC2)n1 1606389751 FUPYHURZEFNGAP-UHFFFAOYSA-N 379.388 -0.238 30 20 GBED CCN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1709909746 XUZCKKISRVVIGC-CYBMUJFWSA-N 375.433 -0.392 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1778969772 SDLYCMULVSXLLR-IQUTYRLHSA-N 379.457 -0.332 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1781266929 FGHAILZHJPHCBW-KRWDZBQOSA-N 398.485 -0.048 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC)NC)C[C@@H]21 1783531052 JOOSIUUEBJXHKN-GSBMDQOXSA-N 392.500 -0.178 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)OC)C[C@@H]21 1783533091 PJQOODALPKIIDP-CVSIHACCSA-N 379.457 -0.141 30 20 GBED COCCOCCOCCC(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1783662681 CJJGVHQVJFNROG-GOSISDBHSA-N 383.445 -0.200 30 20 GBED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 1786858255 NVKDIVKVXYSXDQ-IHRRRGAJSA-N 389.460 -0.320 30 20 GBED Cn1ncnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789342802 KHMLCGBFTINVIX-YDHLFZDLSA-N 383.412 -0.078 30 20 GBED Cc1nnsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791075706 PFTOJEJWJRNVDE-SRVKXCTJSA-N 378.410 -0.472 30 20 GBED O=C(O)C#CC(=O)Nc1ccc(C2(NC(=O)C[C@H]3NC(=O)NC3=O)CCC2)cc1 1791442924 CJWPKTGCWFFYGI-CYBMUJFWSA-N 398.375 -0.193 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1nnc(C)o1)C2 1793342712 MMVNMCQNYSAUQV-DPYKFYPSSA-N 376.413 -0.452 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCNC1=N 1796023402 PWPGUCROJOTJDZ-QDMKHBRRSA-N 389.504 -0.254 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nncn2c1 1797462300 GWDYSZFPJPIYGM-NYCLONFESA-N 397.435 -0.029 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2ncnn2c1 1797558289 AYEZNJQKWRXZIB-NYCLONFESA-N 397.435 -0.029 30 20 GBED CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1)C(=O)O 1798693945 ISMQAIIMDHPHDF-LMWOUKEDSA-N 389.412 -0.848 30 20 GBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)ON=C(C)C)C2 1800535208 MWQMMVYLDGVIKW-FSNAAORZSA-N 382.461 -0.099 30 20 GBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc(C)c(O)nc1=O 1801972215 NNYLDGCWAGPZSV-YWVIFJGQSA-N 376.413 -0.577 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1 1810248736 SCOCACAJUZLKCZ-QLFBSQMISA-N 377.441 -0.029 30 20 GBED Cc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1F 1833674207 UTCUURDREGNNTH-KRWDZBQOSA-N 394.359 -0.985 30 20 GBED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)CS(C)(=O)=O)CC2)CC1 1834572806 XWGVTSNTLGRDHJ-GFCCVEGCSA-N 391.559 -0.079 30 20 GBED Cn1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)n1 1835341891 CWQYPEWDCOIJBI-LJQANCHMSA-N 387.440 -0.277 30 20 GBED NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835549708 VOTOSDKUGCEHQD-LJQANCHMSA-N 379.457 -0.900 30 20 GBED CN(C)CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837442399 WYCPEHBKUZVADF-FUNKKEAFSA-N 395.504 -0.524 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838062719 DDEDYKUIEFGNJK-FZKQIMNGSA-N 394.428 -0.224 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccnc1C(N)=O)CCO2 1838331302 YNWVPADGGXCQTN-GOSISDBHSA-N 389.412 -0.778 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1839227638 IBKGMOFIKQIYNQ-RDTXWAMCSA-N 398.460 -0.491 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839862283 WIOSXOYHSFEEST-QGZVFWFLSA-N 385.486 -0.373 30 20 GBED O=C(C#CC1CC1)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841893314 WERPSJUXMHAFNO-UHFFFAOYSA-N 379.482 -0.666 30 20 GBED O=C1C[C@H](C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@@H]3CCCCO3)C2)CN1 1844302610 DOHDJWGLFRSPBZ-XQSXULBNSA-N 378.429 -0.145 30 20 GBED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1847071041 WOWSKTDNPOAATP-LBPRGKRZSA-N 381.429 -0.583 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)n2[nH]nnc2n1 1847813085 VECFHCJBJAYCKZ-WXHSDQCUSA-N 387.400 -0.781 30 20 GBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)CC(=O)N(C)C1(C#N)CCCCC1 52718637 VMILJTGWEBZOMW-AWEZNQCLSA-N 384.502 -0.094 30 20 GBED C/N=C(/NC[C@H](C)N1CCN(C)CC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 114086643 WHUFRBGTSOYNCO-IRXDYDNUSA-N 380.537 -0.479 30 20 GBED COCCn1cc(/C=c2/s/c(=C(/C#N)C(=O)NCC(C)C)n(C)c2=O)cn1 266443505 AQGDTAKDJPXBMP-QFFGNWAYSA-N 389.481 -0.435 30 20 GBED COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)COc1ccc(C#N)cc1OC 273911711 ASVVLKIRXUKMDF-GFCCVEGCSA-N 382.394 -0.256 30 20 GBED O=S1(=O)CCCN(/C(O)=N/[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 329302740 NNSBCXSCHBGCTC-GFCCVEGCSA-N 379.504 -0.023 30 20 GBED N#Cc1ccc(OC2CN(C(=O)C(=O)N3CCC[C@H](C(=O)NCCN)C3)C2)cc1 423566917 QGVUEIJOXZCJSN-HNNXBMFYSA-N 399.451 -0.539 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1C 461368406 ADRDDRJNCFBQGT-UHFFFAOYSA-N 398.444 -0.407 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(S(C)(=O)=O)CC1 462099172 FNWRAVFNWRDDPA-UHFFFAOYSA-N 389.441 0.557 30 20 GBED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@H](O)COc1ccc(C#N)cc1 514317401 JGZYGVDLDOBRLV-HOTGVXAUSA-N 395.481 -0.077 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CO)CC2)cc1 534057340 BGHHNHDBGPYDGA-UHFFFAOYSA-N 380.426 -0.845 30 20 GBED C[C@H](CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)S(C)(=O)=O 565230004 VVMGETUVXJXMJE-SNVBAGLBSA-N 395.484 -0.800 30 20 GBED CC(C)(C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 566486834 NZLKVRNZJOFCQY-UHFFFAOYSA-N 386.455 -0.612 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCNC(=O)c2cnccn2)c1 573049677 ZXZPTBKJSRJBSF-UHFFFAOYSA-N 388.409 -0.827 30 20 GBED Cc1cnc(CCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)nc1 576023969 HYLLJMHDTYUXKT-UHFFFAOYSA-N 396.455 -0.294 30 20 GBED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)c1 576768209 OUVMVJVPVRSFEL-TUKIKUTGSA-N 385.467 -0.120 30 20 GBED C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCS(=O)(=O)C1 577789066 DLURGGQRJGNRTF-LBPRGKRZSA-N 385.467 -0.270 30 20 GBED N#CC[C@]1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 592148823 CLLAPMJQBLJRBE-SFHVURJKSA-N 392.481 -0.130 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1C[C@@H](O)COc1ccccc1C#N 599366624 QSGZVQNSPQGXSB-HZPDHXFCSA-N 391.424 -0.322 30 20 GBED CN1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 613868298 XYBVGTOGSXUBOP-OAHLLOKOSA-N 376.438 -0.131 30 20 GBED CCNC(=O)COc1ccc(C=NNC(=S)NCC(=O)NC)cc1OC 731929025 KRKHZXPTICRDRU-UHFFFAOYSA-N 381.458 -0.246 30 20 GBED N#Cc1cccnc1NCCOC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 732503285 XJDHLMSUZCMFFW-KGLIPLIRSA-N 392.437 -0.056 30 20 GBED Cc1csc([C@@H](C#N)C(=O)COC(=O)CNS(=O)(=O)c2cn(C)cn2)n1 756450974 DQDCNQQGWUATOR-JTQLQIEISA-N 397.438 -0.117 30 20 GBED N#CCOc1cccc(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 760436816 RTVKXHAHXUYDHL-IAGOWNOFSA-N 393.465 -0.255 30 20 GBED C#C[C@@H](NC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[C@H]1CCCO1 773786815 KXCSYUVDJXNEDC-HUUCEWRRSA-N 375.429 -0.549 30 20 GBED CN(C)S(=O)(=O)NCC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 829898691 KYFRRTBZGYSQOV-UHFFFAOYSA-N 381.458 -0.146 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 846981799 WRLSMGYITCSCHC-CQSZACIVSA-N 393.535 -0.369 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](N2CC[C@H](O)C2)C1 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20 GBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2cc(-c3nn[nH]n3)nc(CC)n2)C[C@@H]1O 1602792098 DQPBODONZIRKCA-BWACUDIHSA-N 388.432 -0.788 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778258409 UAOFDTOHTBBPCS-FXAWDEMLSA-N 392.500 -0.898 30 20 GBED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@H](N)CN)CCO4)c2c1 1782195989 OELQEDIWPOTPPE-IFXJQAMLSA-N 397.439 -0.836 30 20 GBED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783155970 AQFNASAXDQXHQX-BEFAXECRSA-N 379.457 -0.065 30 20 GBED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]2C1 1791286942 GZTIHVBMLSZIKY-KEKQHROYSA-N 388.486 -0.100 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ncccn13)C2 1793343288 QTFDQGBOWRTSLC-PNBKFKSVSA-N 397.435 -0.029 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCSC)C2 1793346476 BPBKVINHXFUSJG-IBEHDNSVSA-N 384.498 -0.272 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CC)NC(N)=O 1796754633 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377.426 -0.192 30 20 GBED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2sccc2C#N)CC1 293980928 BRCZUWVYDYFJHQ-UHFFFAOYSA-N 379.442 -0.535 30 20 GBED C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 297873506 UOUUHDVOHANBNN-ZBFHGGJFSA-N 387.440 -0.400 30 20 GBED COCCN(Cc1cc(=O)n(C)c(=O)n1C)S(=O)(=O)c1ccc(C#N)cc1 298743126 DXPBCWCJXMJIQF-UHFFFAOYSA-N 392.437 -0.207 30 20 GBED N#Cc1cccnc1NS(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]1CO 349516588 JRAIRGWSWXEOMK-ZDUSSCGKSA-N 388.471 -0.128 30 20 GBED N#Cc1ccnc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[C@H]2O)c1 349539367 WJDGBHYUPJCEKM-CHWSQXEVSA-N 388.471 -0.082 30 20 GBED C[C@@]1(C2CC2)NC(=O)N(CC(=O)N(CCC#N)CCN2CCOCC2)C1=O 360321078 BTNQCCAKLOWAGT-SFHVURJKSA-N 377.445 -0.219 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(n3cc([C@H](C)O)nn3)C2)c1 374848103 UULYBQLAILUYSG-LBPRGKRZSA-N 389.437 -0.060 30 20 GBED CCN(CCC#N)S(=O)(=O)NCCc1ccc(OC)c(S(N)(=O)=O)c1 409509637 QMNAAGFMNWUSDW-UHFFFAOYSA-N 390.487 -0.045 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)NCCCNS(=O)(=O)N(C)C[C@H](C)C#N 409531005 AISKHHZDXKPGRW-CHWSQXEVSA-N 394.523 -0.772 30 20 GBED COCCOCCN(C)C(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 410832584 DJARTKXDOMUOJN-UHFFFAOYSA-N 392.460 -0.630 30 20 GBED C=CCC[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)OCC 456619113 BFPMBIZYLPFJEY-NSHDSACASA-N 377.401 -0.552 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCn3c(O)nnc3C2)cc1 460100597 BYKOMGHNXKYFDP-UHFFFAOYSA-N 376.398 -0.168 30 20 GBED COc1ccc(S(=O)(=O)NCCC(=O)N2CC(O)(CC#N)C2)cc1OC 473364566 FPQVEIHVFCMVMO-UHFFFAOYSA-N 383.426 -0.141 30 20 GBED C=C(C)COCCNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 474792311 MBASOWNKJFBBAC-UHFFFAOYSA-N 389.522 -0.602 30 20 GBED CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)NCC(=O)NCC#N)CC1 511919095 KELSJQAWPNCXJX-UHFFFAOYSA-N 380.493 -0.248 30 20 GBED N#CCN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 518623640 PADMRZPAHGGNOQ-UHFFFAOYSA-N 393.469 -0.548 30 20 GBED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCCN(S(C)(=O)=O)CC1 547417158 QORKEQVOZFLYQV-UHFFFAOYSA-N 380.426 -0.001 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 548758497 SPXTWUUBGSRHGQ-CYBMUJFWSA-N 382.402 -0.419 30 20 GBED N#Cc1ccc(OC[C@@H](O)CNCCNS(=O)(=O)Cc2ccon2)cc1 562989963 UOBZYEVAKHUFKE-HNNXBMFYSA-N 380.426 -0.005 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](CC(N)=O)C1 600677227 BNCTXFVBWDSBBZ-YPMHNXCESA-N 380.426 -0.672 30 20 GBED Cn1cc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1 604195437 GHAPGPWOTHVNFN-UHFFFAOYSA-N 389.441 -0.686 30 20 GBED N#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 609091783 HNVCBZUAUANGTK-UHFFFAOYSA-N 380.455 -0.363 30 20 GBED N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1 610493641 SLPNHIWROOMSMF-QGZVFWFLSA-N 391.497 -0.040 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCc2cccc(OC)c2)C1=O 726043233 SXHWCFXDWPHXQD-UHFFFAOYSA-N 389.364 -0.169 30 20 GBED N#CCCNC(=O)CN1C(C(=O)O)=NC2=NS(=O)(=O)c3ccccc3N21 739075834 ODNUXROXPKZOIX-UHFFFAOYSA-N 376.354 -0.705 30 20 GBED Cn1c(N)c(C(=O)COC(=O)Cc2cccc(OCC#N)c2)c(=O)n(C)c1=O 760626618 WMEBCBNNOOTNGI-UHFFFAOYSA-N 386.364 -0.463 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)OCCn2cnc([N+](=O)[O-])n2)c1 768796899 AGFOTCDOAXNJEQ-UHFFFAOYSA-N 379.354 -0.045 30 20 GBED Cn1cc(S(=O)(=O)NN=C2CCN(c3nccs3)CC2)c(=O)n(C)c1=O 771896709 HCEAQYKMGOEFJJ-UHFFFAOYSA-N 398.470 -0.525 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H]4NC(=O)OC[C@H]4C3)CC2)o1 799179777 WDHUPLGVIAFFAK-KGLIPLIRSA-N 388.428 -0.066 30 20 GBED CCN=c1nc(NCC)n2c(SCC(=O)N[C@@H]3CCN(O)C3=O)n[nH]c2n1 820179645 MWKLSKCWIWPHJJ-MRVPVSSYSA-N 395.449 -0.997 30 20 GBED COC(=O)[C@H]1CN(C)CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 840501744 UCGJQGKDXJRRLD-LBPRGKRZSA-N 394.453 -0.712 30 20 GBED C=CCN(CC=C)C(=O)CN1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 846979858 RFCASQIJFFRESP-UHFFFAOYSA-N 378.520 -0.223 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H]2COC[C@H]2n2ccnn2)c1 847987775 UYKOXKVRTJGNRQ-HUUCEWRRSA-N 376.394 -0.014 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(C)(O)C1 848956654 YZSKFGZAGYGAGB-UHFFFAOYSA-N 383.451 -0.411 30 20 GBED C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)CC1 848962586 GEBZJBZOZXVUOC-UHFFFAOYSA-N 387.487 -0.811 30 20 GBED COCCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 916870430 KCHHRCRJPJYRMR-LBPRGKRZSA-N 379.394 -0.307 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2cn(CC)nn2)C1 969643647 WGHXONFPHWPMNM-IVSAIRAKSA-N 377.445 -0.490 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 973022146 VXRCHMWFPCVHCQ-DLTWYDFYSA-N 389.456 -0.378 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1 1116484880 MVIBKKSCWRBHFL-UHFFFAOYSA-N 383.426 -0.533 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCC(=O)N2CCc3ccccc32)CC1 1117223091 QFFLDIUMXJCEQT-UHFFFAOYSA-N 396.447 -0.320 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2CCSC(F)(F)F)CC1 1262398668 XWZJUQMMHLKXLW-UHFFFAOYSA-N 399.424 -0.484 30 20 GBED Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCN(CC#N)CC3)CC2)cn1C 1318652270 VXLNJCPAIWMGFI-UHFFFAOYSA-N 394.501 -0.203 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCNC(=O)C3CC3)C2=O)cc1 1321925311 WJONWVJYNFNYQZ-INIZCTEOSA-N 397.435 -0.582 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)nn1 1326239078 ORPSEKUZLJQLSM-AWEZNQCLSA-N 375.477 -0.635 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CCOCC2)CCN1Cc1ccccc1 1326565080 WYTWKBJOIPUEES-QGZVFWFLSA-N 399.451 -0.802 30 20 GBED C=CCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@@]1(O)CCOC1 1340624433 QTWRIBUVBCQQMY-DNVCBOLYSA-N 390.488 -0.185 30 20 GBED C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1342185139 UGRQFTSCLVBXJB-CQSZACIVSA-N 394.497 -0.002 30 20 GBED CN(CCC#N)S(=O)(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1561136179 QTULKHYZPHEADI-UHFFFAOYSA-N 385.490 -0.487 30 20 GBED C#CCOCCC(=O)NC1(CNc2ccc(-c3nn[nH]n3)nn2)CCOCC1 1573288305 UGDRYAIGJDLMFI-UHFFFAOYSA-N 386.416 -0.226 30 20 GBED N#Cc1ccc(C(=O)NCC[C@@H]2CN(CCc3cnn[nH]3)CCS2(=O)=O)[nH]1 1577712761 YAUKKGTUZKGSBB-CQSZACIVSA-N 391.457 -0.534 30 20 GBED C#C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 1588332358 IWWWZKYBUMNRNR-CQSZACIVSA-N 394.439 -0.075 30 20 GBED C#CCNC(=O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588354615 RTBYZOSLYLVQRM-OLZOCXBDSA-N 382.428 -0.377 30 20 GBED C=CCNC(=O)[C@H](C)N1C[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2C1 1588656968 CVNZQGRQSHQXGN-FPMFFAJLSA-N 384.444 -0.111 30 20 GBED C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 1588930612 AJMSVHXGPXDQPT-LBPRGKRZSA-N 383.416 -0.472 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCc2ccc(-c3nn[nH]n3)c(Cl)c2)CCO1 1592672753 OFYMGBKHFIPCCI-JTQLQIEISA-N 375.776 -0.113 30 20 GBED C#CCN1CCC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)C1 1602721525 MZHFUSXTPNYZCZ-GFCCVEGCSA-N 386.464 -0.156 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[nH]n3)n2)C1 1602726845 UAIPNOUTRWKCRM-PXAZEXFGSA-N 386.416 -0.540 30 20 GBED N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 1609497137 UYZXJLOKPHINOV-UHFFFAOYSA-N 387.310 -0.032 30 20 GBED N#CC[C@]1(O)CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)C1 1639946970 ZIAFQXYKWLRRGH-KDOFPFPSSA-N 376.388 -0.395 30 20 GBED N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCOC2)CCO1 1771536529 WFHRCOLXJWDGKR-GUYCJALGSA-N 376.417 -0.606 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1778949716 DDTTUOHHVXQMQV-SPYBWZPUSA-N 394.472 -0.438 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 1782801016 VYEBDKDODGANGG-IDKQUVGQSA-N 376.409 -0.519 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(Cl)ncn3)[C@H]2C1 1789059862 VGXLPTSBKNPVFE-GVXVVHGQSA-N 392.799 -0.189 30 20 GBED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 1790748741 APZFBUBIXUMBMD-HTVCTNPSSA-N 390.527 -0.138 30 20 GBED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)C1CC(O)C1 1792891620 AQKKNCOVXWUUKN-MXHGBOKSSA-N 395.456 -0.124 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2 1793819557 WSDVTXRJBWNWOW-JLVBRIDZSA-N 383.514 -0.173 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2 1800452213 SANDISCYXQEADZ-CCWDJLKJSA-N 384.436 -0.245 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829865828 APOQAPVZAWVCEE-YLJYHZDGSA-N 393.484 -0.423 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1834768518 AUCDAZKPHSPYLT-KRWDZBQOSA-N 375.385 -0.775 30 20 GBED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)CN)CCO2)C1 1836489640 NOBNDQWDSDQORR-TXPKVOOTSA-N 380.489 -0.503 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1839216828 PPTCXSKLVNCUOD-HNAYVOBHSA-N 377.441 -0.523 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)OC)C2)C1 1839810953 YWCLMWDOADCMQV-TWOQFEAHSA-N 390.436 -0.169 30 20 GBED Cc1occc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041605 XBQDHGYPCLWMEF-GOSISDBHSA-N 376.365 -0.254 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2C(=O)CNC2=O)cc1 1848034044 GEZCCPMRFVKPHV-GJZGRUSLSA-N 381.392 -0.075 30 20 GBED CNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31256819 OJTFMTLDALFXDL-LBPRGKRZSA-N 379.442 -0.291 30 20 GBED O=C(C#Cc1ccc2c(c1)OCO2)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 268525438 HDNCPQYVNVPVBU-CABCVRRESA-N 392.433 -0.619 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCOCCO)cc1 272448221 DJCRVUSTMGADIF-UHFFFAOYSA-N 399.469 -0.053 30 20 GBED C=CCn1c(=O)/c(=C/c2cnn(C)c2)s/c1=C(\C#N)C(=O)N[C@H](C)COC 296957842 NPHMPFQBMRUTLJ-FNMOEVBISA-N 387.465 -0.517 30 20 GBED C[C@H](O)CN(C(=O)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)[C@H](C)CO 297656049 FKQCDHZHQQIRHE-IPYPFGDCSA-N 376.413 -0.477 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1=O 298806939 QKTMNAZZBCDWPB-UHFFFAOYSA-N 388.446 -0.861 30 20 GBED CCOC(=O)N1CCC(N/C(N)=N/C[C@H]2CCCN2S(C)(=O)=O)CC1 305241832 BSYQJCUOARAOEH-CYBMUJFWSA-N 375.495 -0.064 30 20 GBED Cc1nc(=NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H](C#N)C2)n(C)[nH]1 349575869 PPABFFWQDSQZQV-NWDGAFQWSA-N 390.491 -0.711 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)NC2CCOCC2)nc1 349598674 FUPHCLRROFPENL-UHFFFAOYSA-N 388.471 0.183 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)NC1CCOCC1 349601857 KSCGWFSDMNATFD-ZDUSSCGKSA-N 397.544 -0.254 30 20 GBED C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 363105253 UXFJYHKKZRVDEP-JQFCIGGWSA-N 393.465 -0.060 30 20 GBED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)n1 377928898 SWJZAXCBBJEJIW-LLVKDONJSA-N 381.352 -0.260 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)CCO1 409546292 CUXVJUVXSHIIQJ-IAGOWNOFSA-N 380.470 -0.054 30 20 GBED CNS(=O)(=O)c1cccc([C@H](C)NS(=O)(=O)N2CCO[C@@H](C#N)C2)c1 410119132 QOTDPQXDEXXTGC-AAEUAGOBSA-N 388.471 -0.286 30 20 GBED C=CCN(CCOC)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 484620178 NJUDXTLOMGFKJG-UHFFFAOYSA-N 379.417 -0.659 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 510258826 QGOXIYLBPZIGEJ-CHWSQXEVSA-N 382.508 -0.457 30 20 GBED N#Cc1cccc(C2(C(=O)N3CCN([C@@H]4CS(=O)(=O)C[C@@H]4O)CC3)CC2)c1 526072400 FXXKGYOCKSXPPU-SJORKVTESA-N 389.477 -0.108 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)n1 546086800 UHFCNGWLMQMGPE-UHFFFAOYSA-N 386.391 0.552 30 20 GBED C[C@@]1(CNS(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)CCC(=O)N1 566748728 SVLCYZDLDFMZKW-AWEZNQCLSA-N 386.455 -0.565 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)NCCCN(C)S(=O)(=O)CC)CC1 571543748 WVNWCRGLMPXJES-UHFFFAOYSA-N 388.534 -0.069 30 20 GBED CC[C@@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N 583945571 ZXWLQBKKBJHSEA-LLVKDONJSA-N 380.492 -0.862 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN([C@H]3CCC[C@H]3O)CC2)C1=O 673584936 LYKSWZWSEXCJBX-YESZJQIVSA-N 392.500 -0.274 30 20 GBED CS(=O)(=O)NCCNC(=S)NC1CCN(c2ccc(C#N)cn2)CC1 727289756 OLFRJOKHOKSBKX-UHFFFAOYSA-N 382.515 -0.065 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(=O)n(C)c(S)nc3c2)CC1 728533329 GLURFFCYZKSNFH-UHFFFAOYSA-N 399.476 -0.271 30 20 GBED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)O)c1 739727101 DRNLJPZCOJPXGL-LDADJPATSA-N 382.398 -0.361 30 20 GBED COC(CN(CCCO)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)OC 787279701 AIRJZTAJTHCRGW-UHFFFAOYSA-N 399.469 -0.055 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1 808159846 KWWYPVLJACIUTA-HZPDHXFCSA-N 377.466 -0.121 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1)[C@H]1CCCO1 809312370 MWYVWFZGTKTADQ-HZPDHXFCSA-N 376.457 -0.950 30 20 GBED C=CCOCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 823925650 NLONHJZGAWKGSR-LLVKDONJSA-N 380.430 -0.148 30 20 GBED CNC(=O)CNC(=S)NN=Cc1ccc(OCCN2CCOCC2)cc1 872350478 RFFNLSAJUQSUNA-UHFFFAOYSA-N 379.486 -0.058 30 20 GBED C=CCn1cc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H]4OCCO[C@H]4C)C[C@@H]32)nn1 960401419 IBSLQZXQTXYLHS-HNKHHVNMSA-N 391.428 -0.680 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2noc3c2COCC3)C1 964949554 XVTSOEKAWWZNOT-ZZVYKPCYSA-N 377.397 -0.360 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C=C)C[C@H]2O)CC1 1024130044 BFBIOBKXVXFMKC-TVFCKZIOSA-N 375.469 -0.389 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2coc(C(N)=O)c2)C1 1024736383 POUPEAYXBYJNDI-SYQHCUMBSA-N 377.397 -0.339 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncn(C(C)(C)C)n2)C1 1025681601 KENSZRRSAFFKEE-SYQHCUMBSA-N 377.445 -0.074 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)CCC 1110346731 KIEYUQZBOQHVGN-MCIONIFRSA-N 379.461 -0.364 30 20 GBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Cc1ccc(OCC#N)cc1 1116028270 NEHRFRKFWXDKMV-CQSZACIVSA-N 379.438 -0.107 30 20 GBED C[C@@H]1CC[C@@H](C)N1CCN1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1117854278 MOLXFMJLBTUOEK-ZACQAIPSSA-N 377.489 -0.246 30 20 GBED C[C@]1(C#N)CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 1261305032 LCTPSMVYMBNQOU-LJQANCHMSA-N 391.472 -0.858 30 20 GBED CS(=O)(=O)CC[C@@H]1NC(=O)N(C[C@H](O)COc2ccc(C#N)cc2)C1=O 1317726093 RIURCEFRRVUEKQ-JSGCOSHPSA-N 381.410 -0.347 30 20 GBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)C1 1325386611 NQIFJBMYZRVQSV-INIZCTEOSA-N 379.392 -0.179 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@@H](N2CC=CC2)C1 1328534255 VQMXWHMGMXWSRH-HZPDHXFCSA-N 395.467 -0.142 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nn1 1329223600 UIWVVWNYUNVGTC-HNNXBMFYSA-N 389.460 -0.315 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)CC1 1336050361 ZMKSCYFQRVQYEH-OAHLLOKOSA-N 377.422 -0.620 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1339511439 GZVQLKKUCMDUKY-CHWSQXEVSA-N 390.444 -0.231 30 20 GBED C=CCn1c([C@H]2CC(=O)N(CC)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1340379966 JKZUIJHQPVJCFM-ZDUSSCGKSA-N 382.490 -0.119 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NCCSC(F)(F)F 1340596713 KWIUAHOGQUSUSI-KTKRTIGZSA-N 380.348 -0.002 30 20 GBED Cc1nc(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)n[nH]1 1542933134 JKKZEMKZTLKDSR-ZDUSSCGKSA-N 385.432 -0.088 30 20 GBED COc1cc(-c2nn[nH]n2)ccc1Cn1c(=O)c(C#N)c(C)n(CCO)c1=O 1571219068 UKZCWJKVKZIUID-UHFFFAOYSA-N 383.368 -0.581 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573309799 ORFWBZYSOWBDPU-SJCJKPOMSA-N 391.432 -0.587 30 20 GBED C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](N)CC)[C@@H]1CCS(=O)(=O)C1 1574674438 YUWAUDCTXNIJBQ-MJBXVCDLSA-N 394.501 -0.407 30 20 GBED C#CCNC(=O)CN1CC[C@@H](NC(=O)[C@H](C)OCc2cnn[nH]2)C(C)(C)C1 1575004940 QGLOVXJUQNUPCK-DZGCQCFKSA-N 376.461 -0.324 30 20 GBED C=CCNC(=O)CN1CC[C@H](NC(=O)C2CCN(Cc3cnn[nH]3)CC2)C1 1575104809 WVMSHMDXOUNRAN-HNNXBMFYSA-N 375.477 -0.491 30 20 GBED N#Cc1ccc(N[C@@H]2CCCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)C2)nc1 1581872980 ONBIJAQRVRDIMD-GFCCVEGCSA-N 379.388 -0.172 30 20 GBED C#CCNC(=O)[C@H](C)N1CCC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588353043 DTOWDSZRQYYTOZ-STQMWFEESA-N 384.444 -0.226 30 20 GBED N#Cc1ncn(CCNC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)n1 1592709377 DHFJIMDSPGIKQA-UHFFFAOYSA-N 386.763 -0.262 30 20 GBED C#CCOCCC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[nH]n3)nn2)C1 1602729282 MZQNALSUBAKGQL-QGZVFWFLSA-N 386.416 -0.856 30 20 GBED C#C[C@H]1COCCN1C(=O)C(=O)N1CC[C@H](Oc2ccc(-c3nn[nH]n3)cn2)C1 1609020129 SBZIQFJILWITOW-KBPBESRZSA-N 397.395 -0.898 30 20 GBED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=N)N)C2 1780802092 NOEKSKZSVDAJOG-PMUMKWKESA-N 396.492 -0.216 30 20 GBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)C2 1781696933 QVVDDMCNDVCELL-IAQYHMDHSA-N 375.347 -0.188 30 20 GBED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)CN4CC(=O)NC4=O)CCO3)C2)CCC1 1785362918 MLPJUZYXIVHDCQ-SFHVURJKSA-N 389.412 -0.938 30 20 GBED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]3C2)C1 1786799010 HNRKMISEQGWYKO-TUUVXOQKSA-N 378.473 -0.475 30 20 GBED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC=O)C[C@@H]21 1789958854 ZYADFFBUYWKQTC-QXKUPLGCSA-N 382.461 -0.099 30 20 GBED CCC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1792188487 JOTUUIYUUFVXTJ-VGWMRTNUSA-N 393.440 -0.641 30 20 GBED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCC(=O)N2)C3)cc1 1792557120 DOXMNWCTPJYSJY-AXVVYFOYSA-N 396.447 -0.031 30 20 GBED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OCC 1797588837 YLRMMZDKILQMEG-HAFSJTIUSA-N 383.445 -0.147 30 20 GBED N#CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CNC1=O)CC2 1814488088 NRSUYUCLYBLVSK-VIFPVBQESA-N 390.425 -0.089 30 20 GBED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)C(O)O)CC2 1819900869 QYNPDRZTPNDGBY-MQGJCWCISA-N 398.441 -0.105 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825665362 HRMLBJLRSMWUBW-RKDXNWHRSA-N 393.425 -0.410 30 20 GBED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)nn1C 1834755976 PAMADHHZEAFIOB-SFHVURJKSA-N 375.429 -0.359 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1839807556 APXOJVVZHGAPLJ-IBGZPJMESA-N 383.408 -0.259 30 20 GBED CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839883618 RUUCESNPRXPFCG-SFHVURJKSA-N 378.429 -0.727 30 20 GBED Cn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840041271 BGMHDMQMESKKKJ-GOSISDBHSA-N 375.381 -0.817 30 20 GBED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1840294845 OXHOTOHFMVKNKH-OXJNMPFZSA-N 391.468 -0.228 30 20 GBED Cc1ccc(S(=O)(=O)NCCNc2c(C#N)c(=O)n(C)c(=O)n2C)cc1 24215614 VVNJAPNIMHFDAJ-UHFFFAOYSA-N 377.426 -0.346 30 20 GBED CC/N=C(/NCCN1CCCS1(=O)=O)N1CCO[C@@H](c2cnn(C)c2)C1 261721599 ILXNWOCABUQJIW-OAHLLOKOSA-N 384.506 -0.206 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nnc(CCCC(=O)OC)s2)C1=O 265751071 YULMCNRLEKVOQI-UHFFFAOYSA-N 395.397 -0.051 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCCCNS(=O)(=O)CC)c1cc[nH]n1 276596468 NPCGVNGSLKSJDO-CPNJWEJPSA-N 389.434 -0.861 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](CO)[C@@H]1CCOC1 280575683 WKKAFFUSVNZEIZ-CFVMTHIKSA-N 381.454 -0.014 30 20 GBED N#Cc1ccnc(NS(=O)(=O)CCCS(=O)(=O)NCC2(O)CCC2)c1 349568851 PHASXZBLTAJUEO-UHFFFAOYSA-N 388.471 -0.081 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)n2nnnc2C(C)(C)C)CC1 371541915 GIDZVZQFBZDEQB-AWEZNQCLSA-N 375.477 -0.185 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)CCO1 409546293 CUXVJUVXSHIIQJ-IRXDYDNUSA-N 380.470 -0.054 30 20 GBED C[C@@H]1CCNC[C@@H]1NC(=O)C(=O)N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 420110269 BRALDMWCVXFKAX-CJOHGPIESA-N 381.436 -0.027 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCN(C)[C@H](C(C)C)C2)CC1 459885949 NLASXMQHORLGHO-INIZCTEOSA-N 379.505 -0.769 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)Nc1sccc1C#N 497562702 DKTCVOGQRNYHCY-GFCCVEGCSA-N 380.426 -0.062 30 20 GBED COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 524296725 HWUDESGILSTNEI-CQSZACIVSA-N 382.380 -0.170 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)cc1 569237814 HKFKHOHPEKIGGP-ZLKJLUDKSA-N 389.455 -0.695 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1 573695153 CVHDYEUTFLXWSJ-UONOGXRCSA-N 376.438 -0.097 30 20 GBED CN(C[C@H]1COCCO1)S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 595958607 FNXIKELKVYEKRA-LBPRGKRZSA-N 389.455 -0.476 30 20 GBED C[C@H](CNC(=O)C(=O)N1CCN(c2ccsc2C#N)CC1)S(C)(=O)=O 597283176 UNMOZHWSFLXWOE-LLVKDONJSA-N 384.483 -0.182 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)ncc1C#N 600011273 GOFZHVYXNFFTGV-UHFFFAOYSA-N 377.426 -0.163 30 20 GBED N#C[C@H](C(=O)CN1C(=O)COc2ccccc21)C(=O)N1CCS(=O)(=O)CC1 732909897 HKIANMUIGVDLKC-GFCCVEGCSA-N 391.405 -0.622 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)NCc2ccc(NC(=O)O)cc2)CC1 736076767 ULWBQKZBUYDHSY-UHFFFAOYSA-N 387.440 -0.240 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H]2CCCN(c3cnn(C)c3)C2=O)C1=O 744919364 VEXPYQXHFAPTTJ-LBPRGKRZSA-N 389.368 -0.565 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CCn1cc(S(N)(=O)=O)cn1 749328068 WXYHCZDJDVMPNR-ABAIWWIYSA-N 385.446 -0.093 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NC(=O)Nc2ccccc2)CC1 761037835 QMHSTONVSSQZKP-UHFFFAOYSA-N 379.442 -0.580 30 20 GBED C#CCC[C@@H](O)CNC(=O)c1cc(S(=O)(=O)NC[C@H](O)CCC#C)c[nH]1 798488238 KJZSTWAFHXHENE-ZIAGYGMSSA-N 381.454 -0.429 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](CC(=O)O)C1 827754961 ODCBDLVPUXPKJP-DGCLKSJQSA-N 381.410 -0.073 30 20 GBED C[C@H](CC(=O)N1CCC(O)(CN)CC1)/N=C1/NS(=O)(=O)c2ccccc21 842511782 CLJSRQULIPHMGW-GFCCVEGCSA-N 380.470 -0.184 30 20 GBED N#Cc1ccc(F)c(CS(=O)(=O)NC(=O)CN2CCCS2(=O)=O)c1 851192280 FXLFLZYWAFDZDV-UHFFFAOYSA-N 375.403 -0.321 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)C1=O 916617216 KMLMRZCDEBKQTH-GOSISDBHSA-N 399.363 -0.538 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@H](OC)C2)nc1 946791435 GVERYDZYQBRSNW-YALNPMBYSA-N 384.436 -0.080 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3OCC[C@H]3C(C)C)C[C@@H]2O)nn1 963318120 WQFUVIBIPPWZCF-XRGAULLZSA-N 377.445 -0.173 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 970104509 FYHRDJZKGYHMKE-UKMLZYKCSA-N 390.440 -0.214 30 20 GBED Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(C#N)cn2)c(=O)n(C)c1=O 1055387580 HIEOZYCIVXDCOX-BNOWGMLFSA-N 381.396 -0.715 30 20 GBED C#Cc1cccc(NC(=O)CN2C[C@H](O)[C@H](NC(=O)[C@H]3OCCO[C@H]3C)C2)c1 1083536862 OWNMPCMISGKVHE-CZANMRCUSA-N 387.436 -0.428 30 20 GBED N#Cc1ccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)o1 1117751913 VXFNWSSISIQWNH-LBPRGKRZSA-N 380.426 -0.788 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2C[C@H](C(=O)NCCOC)CC[C@H]2C)nn1 1118178556 QOJDJJPOONGPIS-ZIAGYGMSSA-N 392.460 -0.530 30 20 GBED CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 1323964466 MIJQTQLELOMIQK-KRWDZBQOSA-N 383.452 -0.058 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N(C)[C@H]3CCNC3=O)CC2)c1C#N 1325419370 OELCLRAQLUEOGZ-LBPRGKRZSA-N 376.442 -0.681 30 20 GBED Cc1cc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)n([C@@H]2CCS(=O)(=O)C2)n1 1338751222 XIGUXWLLCSCMHA-IAQYHMDHSA-N 383.405 -0.046 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1nn(CCS(=O)(=O)CC)cc1C)[C@H]1CCCO1 1344007395 XMSGLDPIYIXYTH-UONOGXRCSA-N 396.469 -0.138 30 20 GBED C=CCOCCNC(=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1347565017 LLHNDDMWTRMANL-UHFFFAOYSA-N 395.481 -0.144 30 20 GBED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)CC1 1348131768 ZEWOMZJJKLRGHH-AUUYWEPGSA-N 375.473 -0.050 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)nn1 1349029065 BBOMAEAEPJYQDT-IAGOWNOFSA-N 390.488 -0.036 30 20 GBED C#CCN1CCN(c2nnc([C@H]3C[C@@H](N)C3)n2CCOCCN(C)C)CC1 1574706807 HWMYSISVSYVSKU-CALCHBBNSA-N 375.521 -0.184 30 20 GBED 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O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CC[C@@H](Oc2ccncc2)C1 1326596390 JWFMJQGXKFVLMD-UPTRSRDDSA-N 399.407 -0.296 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](C)CC2(C)OCCO2)CC1 1329192482 WOXCYSAETVQLOM-CQSZACIVSA-N 379.457 -0.120 30 20 GBED COCCOC[C@H](C)NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1346718272 ZDXLOXACNNDFRG-UONOGXRCSA-N 390.444 -0.447 30 20 GBED N#CCNC(=O)CN1CC2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 1581857992 NECBRDOYIGCEAL-UHFFFAOYSA-N 383.416 -0.627 30 20 GBED N#Cc1nc(N2CCN(c3ccc(C(N)=O)cc3)CC2)cnc1-c1nn[nH]n1 1581879696 UTFUYQRZFXBCFL-UHFFFAOYSA-N 376.384 -0.046 30 20 GBED O=C(C#CC1CC1)N1CCC(N(CCO)c2cncc(-c3nn[nH]n3)n2)CC1 1581912571 PTNMKIXRYGKTJN-UHFFFAOYSA-N 382.428 -0.140 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@H]2[C@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H]2C1 1588355013 CDGHMRMUUTVRLW-DOERSZECSA-N 383.412 -0.333 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H](O)CNc1cncc(-c2nn[nH]n2)n1 1588436876 VDVATWBHJXNKSU-XUJVJEKNSA-N 388.432 -0.131 30 20 GBED C=C(CC)CNC(=O)C(=O)N1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C 1588441463 FTWSBIKTWLONGA-GFCCVEGCSA-N 385.432 -0.224 30 20 GBED C=C[C@@H](C(=O)OC)N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 1588468814 XOENBOVZTSYTIG-AWEZNQCLSA-N 392.441 -0.099 30 20 GBED COC(=O)Cn1cc(/C=C2\CCc3c(cnc(O)c3-c3nn[nH]n3)C2=O)nn1 1604943805 CYGXWIYSAVTZIO-XBXARRHUSA-N 382.340 -0.056 30 20 GBED Cn1cc(-c2nn[nH]n2)c(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n1 1606223604 WEULDLMMVJNHGF-ISVAXAHUSA-N 377.390 -0.998 30 20 GBED N#CCNC(=O)CN1CC=C(CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1606350076 OPWKCFSHFREECJ-UHFFFAOYSA-N 383.416 -0.413 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](O)N4CCOCC4)C3)C2)CCC1 1779099034 OYCNECGCBRTKQA-DNVCBOLYSA-N 392.456 -0.839 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]nnc3C)C[C@@H]21 1784482013 AUMYPNGQCZBKHY-QPSCCSFWSA-N 375.429 -0.255 30 20 GBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800285069 UOZKMXJWCASSMR-FVCICTRLSA-N 390.396 -0.078 30 20 GBED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1800597200 KXODQPNGBIUQLF-NWJSVONSSA-N 395.412 -0.444 30 20 GBED Cc1cccn2ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)c12 1800779610 PNBATNCLENKBLJ-ZSBFGKGUSA-N 396.403 -0.066 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nccnc2C(N)=O)C3)CCC1 1801984863 TUPPRFUAHASQSE-CLLJXQQHSA-N 398.423 -0.527 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)CCC(N)=O)C3)C2)C1 1829667061 SGRZXEWCBYBUQE-HNAYVOBHSA-N 394.472 -0.998 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN(C)C)CCO2)C1 1835381565 SRRHGUBHDFQNTA-QFBILLFUSA-N 381.473 -0.567 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CN)CCO2 1835531985 UVRCIGMKIARCKO-BEFAXECRSA-N 397.472 -0.453 30 20 GBED COCCOCC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1837769430 YJAQQQPNPBPGGB-UHFFFAOYSA-N 396.440 -0.264 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1839224111 FACRNHAWJXHTMR-DYVFJYSZSA-N 394.432 -0.324 30 20 GBED CC1=C(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCO1 1840041915 PBKMTJUANULIPH-GOSISDBHSA-N 378.381 -0.775 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1840162539 ZPVGNOZKSYVAMI-FZKQIMNGSA-N 395.481 -0.226 30 20 GBED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)C[C@@H]3NC(=O)NC3=O)C2)c1 1841961427 VMNXTCVEBBEYKT-AWEZNQCLSA-N 381.392 -0.027 30 20 GBED O=C(CN(CCO)CCO)N1CC2(CCCN2C(=O)C#Cc2ccccc2)C1 1842731377 AANRXXAFTJEQPL-UHFFFAOYSA-N 385.464 -0.472 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCN2CCCS2(=O)=O)cc1 147594855 SFSDMGTUYMXQGI-UHFFFAOYSA-N 385.467 -0.375 30 20 GBED C/N=C(/NCC1(N(C)C)CCOCC1)N1CCN(c2cnn(C)c2)C(=O)C1 261806719 SIKBUGWIKYAAIY-UHFFFAOYSA-N 377.493 -0.245 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCC(=O)N2CCN(C)CC2)c1 299020931 NCZAXVJTUSWMOA-UHFFFAOYSA-N 392.481 -0.508 30 20 GBED COCCNC(=O)/C(C#N)=c1/s/c(=C/c2cscn2)c(=O)n1C1CC1 299059286 NDTJJNGUSMXHJW-YIXJJTPJSA-N 376.463 -0.033 30 20 GBED C=CCOC[C@H]1NC(=O)N(Cc2ccccc2S(=O)(=O)N(C)CCO)C1=O 348609717 GOBZIAIZCKISFW-CQSZACIVSA-N 397.453 -0.078 30 20 GBED CC1(C#N)CN(S(=O)(=O)CCCS(=O)(=O)Nc2nc3ccccn3n2)C1 349472411 GBBIFOZOXSMKSW-UHFFFAOYSA-N 398.470 0.036 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3nn[nH]n3)C2)cc1 370862969 SVFIKZQDMGTPDF-ZDUSSCGKSA-N 378.414 -0.122 30 20 GBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1n[nH]cc1C(=O)OCC 443031699 YXEXZQWLENJECM-SNVBAGLBSA-N 377.444 -0.050 30 20 GBED C=CCn1c(C2CC2)nnc1S(=O)(=O)CC(=O)NCC(=O)N1CCCC1 444402888 KZKXWZGFSKTMGJ-UHFFFAOYSA-N 381.458 -0.146 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CC3(O)CCOCC3)CC2)o1 444750399 CPCGHKLFRISZBB-UHFFFAOYSA-N 377.445 -0.023 30 20 GBED CCS(=O)(=O)C1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 456294527 RVWAVEYGXCPFDD-UHFFFAOYSA-N 385.467 -0.176 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC(=O)NC(C)(C)C 460616693 XXDJVTNFUHGGJL-UHFFFAOYSA-N 383.412 0.417 30 20 GBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)c(F)c1 489121371 GTCOFJLVBHFXDQ-NSHDSACASA-N 389.430 -0.379 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)C1=O 535829587 SFGFVDUMOUWAFA-GFCCVEGCSA-N 399.363 -0.648 30 20 GBED C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 549282211 FPECSBDNIYNUTO-ZIAGYGMSSA-N 392.460 -0.275 30 20 GBED CC[C@H](CNS(C)(=O)=O)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 590771454 GECGGCRCOXCGSO-GFCCVEGCSA-N 388.471 -0.719 30 20 GBED CS(=O)(=O)N1CCN(S(=O)(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 618716331 OSOAIQCOAIBNBQ-HNNXBMFYSA-N 384.483 -0.043 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3cccn3C)CC2)C1=O 623221856 MPYSVEGMLKKTJI-UHFFFAOYSA-N 387.396 -0.714 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)NCc2ccc(C)cc2)CC1 728532975 PTWZNMKYTQUGKY-UHFFFAOYSA-N 385.468 -0.312 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](C3OCCO3)C2)c1=O 738148177 IPKWZRIQAXNQBC-CQSZACIVSA-N 378.429 -0.414 30 20 GBED C[C@H](CC(=O)N1CCO[C@H](C(N)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742599306 MQHWNJNELGUIIP-PWSUYJOCSA-N 380.426 -0.784 30 20 GBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 756751507 WQZRTEZDWOONNA-BONVTDFDSA-N 383.430 -0.561 30 20 GBED CCNS(=O)(=O)CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758471633 DNBHVSSUAPLEQP-RYUDHWBXSA-N 389.478 -0.016 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)NC(=O)Nc2ccccc2)CC1 761032239 GUDCQKKMURRNAW-AWEZNQCLSA-N 393.469 -0.192 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)NC(=O)Nc2ccccc2)CC1 761032240 GUDCQKKMURRNAW-CQSZACIVSA-N 393.469 -0.192 30 20 GBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F 799286349 GLJNSIDXQDWZRB-LLVKDONJSA-N 385.417 -0.095 30 20 GBED C#CCSCCNC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 800609211 SUFGLLKSGWIPSM-UHFFFAOYSA-N 376.438 -0.417 30 20 GBED O=C(O)Cc1ccccc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 819592138 GQURYFQUTBCODZ-FOCLMDBBSA-N 386.364 -0.105 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)O)cc2F)CC1 819720224 OMBDZBZPOKXSBK-UHFFFAOYSA-N 392.387 -0.091 30 20 GBED C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 823846098 YUTCQSHOSVKBHI-LLVKDONJSA-N 399.429 -0.183 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 823925429 KCQRIFSSIRXFNX-VIFPVBQESA-N 376.425 -0.563 30 20 GBED COCC#CCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 826146775 COVAXFILVUNGCN-LLVKDONJSA-N 379.398 -0.274 30 20 GBED Cn1c(N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c(C#N)c(=O)n(C)c1=O 826355624 HPZOZDPMAHJNIF-CQSZACIVSA-N 394.395 -0.286 30 20 GBED Cn1cc(-c2nn[nH]n2)c(=O)n(Cc2nnc(-c3ccc(C#N)cc3)o2)c1=O 826357283 YVBNGOLUYXHUFA-UHFFFAOYSA-N 377.324 -0.303 30 20 GBED C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncc(C)o2)CC1 848962763 UYTXEZMCMSYTMI-UHFFFAOYSA-N 390.487 -0.305 30 20 GBED C#CC[C@H](NC(=O)c1cccc(C(=O)N[C@H](CC#C)C(=O)OC)c1N)C(=O)OC 854910061 NVDNZSRGQGPCQW-GASCZTMLSA-N 399.403 -0.142 30 20 GBED C#CCCN1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 900474876 UPWUKJDWMYBKRW-QGZVFWFLSA-N 388.443 -0.104 30 20 GBED C=CCn1cc(C(=O)NCC2(O)CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1 1043105969 LVLAVENPNLSENY-KCQAQPDRSA-N 375.429 -0.418 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCNC(C)=O 1109414638 CXJWPMPYUQZPRP-XWSJACJDSA-N 376.501 -0.042 30 20 GBED C=CCOCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1129261489 DOFRNSZFGPNSGR-QXSJWSMHSA-N 376.461 -0.276 30 20 GBED N#CCNC(=O)CNC(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1 1261099955 CSLZBTYYXBVDRC-UHFFFAOYSA-N 378.477 -0.350 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1321225575 JTOWWJZTQVDSLE-CYBMUJFWSA-N 378.520 -0.340 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C)n1 1321853127 TVOBAPMAZOFLTO-UHFFFAOYSA-N 397.501 -0.301 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N[C@@H]1CCN2CCCC[C@@H]12 1322255854 XAILPFZKUIRZMW-MMEFHMBZSA-N 375.429 -0.628 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1 1323583858 FUCPTSGUOPESFX-GOEBONIOSA-N 385.424 -0.644 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CCO1 1344767843 ZJHJGFHBECYARC-HUUCEWRRSA-N 398.485 -0.410 30 20 GBED COCc1noc(CN2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)n1 1347666363 KSCZHYSIRFHFPU-UHFFFAOYSA-N 385.384 -0.234 30 20 GBED CN1C(=O)CC[C@H](NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1=O 1349048184 PVUIJFYXBAKSCN-INIZCTEOSA-N 397.435 -0.534 30 20 GBED C=CCNC(=O)Cn1c([C@H]2CCCNC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1574935677 BNNHKCLFPNBGQW-KBPBESRZSA-N 396.517 -0.329 30 20 GBED C#CCNC(=O)CN1CC[C@@H](N(CCC)C(=O)[C@@H](C)OCc2cnn[nH]2)C1 1575004917 PSRJQEBZBWVICY-GDBMZVCRSA-N 376.461 -0.228 30 20 GBED O=C(C#CC1CC1)NCC1(NC(=O)CCOCc2cnn[nH]2)CCOCC1 1577745155 AAVIAECAIAKCNS-UHFFFAOYSA-N 375.429 -0.094 30 20 GBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)nc1 1581870991 BQTZZWXJSHNTGN-OCCSQVGLSA-N 379.384 -0.169 30 20 GBED C#CCOCCC(=O)NC[C@H]1[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]12 1588361440 MXKGIYREJJSVDD-ZSOGYDGISA-N 383.412 -0.331 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N(CC)CCN=c1cc[nH]c(-c2nn[nH]n2)n1 1588405268 NGDMSRMRVYXQKG-ZDUSSCGKSA-N 387.448 -0.190 30 20 GBED C=CCOCC(=O)NC[C@]1(O)CCN(c2ncc(-c3nn[nH]n3)cc2F)C1 1588674612 QEMKWAFKPGOMPL-MRXNPFEDSA-N 377.380 -0.339 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 1588724381 ZZNUUXRGGXHXON-BWACUDIHSA-N 386.416 -0.695 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)NCCCN=c1cc[nH]c(-c2nn[nH]n2)n1 1602862752 HPTIUBJTIPXZPJ-UHFFFAOYSA-N 388.436 -0.739 30 20 GBED C[C@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C(=O)O)O1 1607469346 UUJZYFAFGOVRJJ-JQWIXIFHSA-N 381.410 -0.184 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](CO)Cc1cnn(C)c1 1639488612 ZZKINCUTKSNUEI-IUODEOHRSA-N 391.453 -0.322 30 20 GBED CN[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(=O)O 1780332930 JAINCWSMDMITFJ-KSSFIOAISA-N 389.412 -0.607 30 20 GBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)C1 1781048697 ACKSHIQGSXPCBD-VVFCZOMOSA-N 395.456 -0.023 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(O)O)CCO3)c(Cl)c1 1781970019 ZJTWQTKUZVAENT-QGZVFWFLSA-N 379.800 -0.034 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784112446 NFIZYIWJNLIRGW-GOSISDBHSA-N 393.465 -0.340 30 20 GBED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](NC)C(=O)O)C[C@@H]21 1785014527 JLVIITDPDKOAHX-XQLPTFJDSA-N 399.513 -0.052 30 20 GBED C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNCP(=O)(O)O)C2 1793581375 MQFKSFBHJSULSG-FQUUOJAGSA-N 389.389 -0.060 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1794086421 LKZKCGMFQJZZRV-FQUUOJAGSA-N 393.444 -0.023 30 20 GBED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC)C(=O)O 1795647468 OYFPVUQLFCCYRU-OPDFLTKYSA-N 389.399 -0.150 30 20 GBED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2 1800493306 LTVDKTSWQXERQK-XLMAVXFVSA-N 383.489 -0.925 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3nc[nH]c13)C2 1800775812 IDLIUCIQCGFGSZ-DPIQGUFMSA-N 382.376 -0.146 30 20 GBED C[C@H](CC(N)=O)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825661598 XOPHKHHWYBZBFW-BDAKNGLRSA-N 378.410 -0.345 30 20 GBED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)n1ccnn1 1830061394 ATQXHGXDIYDMHT-RDTXWAMCSA-N 390.444 -0.155 30 20 GBED O=C1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)N1 1831213515 RUVQATKYELUCNB-KXBFYZLASA-N 375.425 -0.865 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)C3CC3)C2)C1 1831387777 KGLVTMVDHIZBTP-KUHUBIRLSA-N 378.425 -0.540 30 20 GBED CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834767004 JHDIVQIPEBUEKI-GOSISDBHSA-N 396.444 -0.119 30 20 GBED COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1835247002 DFJJHJNTXKEMEK-IBGZPJMESA-N 395.456 -0.200 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2 1837357943 MHNQALAUYGPALS-KRWDZBQOSA-N 396.469 -0.762 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838376780 JQEMSHLDRIEBQN-BDJLRTHQSA-N 382.442 -0.430 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CCN1CCN(C)CC1)C2 1841599381 PGJVCGSUUKLFBA-QGZVFWFLSA-N 376.501 -0.134 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(C(=O)O)ncn1 1847262743 BUODSTARGMLKNX-CGXNLCPXSA-N 399.407 -0.151 30 20 GBED C=CC/N=C(/NC[C@@H]1CCS(=O)(=O)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 262513713 BZUMQCUCUJOGRL-HOTGVXAUSA-N 398.529 -0.124 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)NCCCN2C(=O)CNC2=O)ccc1F 264512699 YFHSATJSEQDTPI-UHFFFAOYSA-N 398.416 -0.038 30 20 GBED CN(C)CCCN(CCC#N)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 266794569 CAAGFQKOTWSEQS-UHFFFAOYSA-N 384.462 -0.914 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 268852976 CNPCIEWQFKDPGN-ZKYQVNSYSA-N 380.426 -0.626 30 20 GBED Cn1c(=O)ccn(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1=O 272583776 RFRSWJQEYXCBDD-HNNXBMFYSA-N 381.392 -0.270 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N(C)[C@@H](C)CN1CCOCC1)c1cc[nH]n1 279064306 DMQLCLFYDYDQCU-GJEKEPIOSA-N 381.433 -0.127 30 20 GBED C[C@@H]1C[C@H](/N=C(/O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CCO1 329079482 BZIOUBJXTAEVHT-HUUCEWRRSA-N 389.522 -0.422 30 20 GBED C[C@H]1CN(/C(O)=N/CCC(=O)N2CCN(C)CC2)CCN1S(C)(=O)=O 329240804 REKYUOORSDIDRC-ZDUSSCGKSA-N 375.495 -0.970 30 20 GBED O=C(NCC/N=C(/O)N1CCN(C(=O)CN2CCCC2)CC1)c1cc[nH]n1 329380431 NMHGYGLFLGMLCC-UHFFFAOYSA-N 377.449 -0.707 30 20 GBED N#CC1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2ccc(O)nn2)C1 349600362 LTFUOXVHKRLGNN-UHFFFAOYSA-N 375.432 -0.511 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCN(C)CC1(C)C 349605343 VEWRSQKUXZJTRJ-ZDUSSCGKSA-N 380.536 -0.046 30 20 GBED CC1(CNS(=O)(=O)CCCS(=O)(=O)N2CCSC[C@@H]2C#N)COC1 349622754 WGKFCRBPIZXLCU-LBPRGKRZSA-N 397.544 -0.397 30 20 GBED CCN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@H]1CCNC1=O 374493214 VUHDONWLSPJAQM-AWEZNQCLSA-N 384.371 0.559 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CNC(=O)C3)CC2)cc1 413636135 JUPRKYLCQZSDLE-AWEZNQCLSA-N 391.453 -0.290 30 20 GBED COC(=O)CN(CC#N)C(=O)[C@H]1CC[C@H](C(=O)N(CC#N)CC(=O)OC)CC1 539772219 DHSMZFJOEIVFDK-HDJSIYSDSA-N 392.412 -0.157 30 20 GBED COC(=O)C1(O)CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 539909108 UVFDPQBHWXPFFW-UHFFFAOYSA-N 395.437 -0.295 30 20 GBED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)c1 572735881 GVKKXTAZHYVRCM-QSDOXLQRSA-N 397.478 -0.122 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)ncc1C#N 572779543 OEEBAZKMIJHDIH-UHFFFAOYSA-N 384.440 -0.033 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCOC[C@@H]2OCCOC)C1=O 583401400 NFTDOZKXEGNTEM-ILXRZTDVSA-N 383.445 -0.832 30 20 GBED Cc1nc2n(n1)CCN(C(=O)C(=O)NC1CCN(c3ccc(C#N)cn3)CC1)C2 587659297 KMZBBZDTGGRISB-UHFFFAOYSA-N 394.439 -0.019 30 20 GBED COCC(=O)NC1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 611371107 PTCYUNKGZBTMDF-QGZVFWFLSA-N 379.505 -0.094 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(NS(N)(=O)=O)c2)C1=O 623217203 DKCQISXMJXSLOS-UHFFFAOYSA-N 381.370 -0.783 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)[nH]c(=O)c(=O)n3CC)CC1 728535593 ABSPMCKSXHHLBZ-UHFFFAOYSA-N 397.435 -0.783 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 761038480 VPDHHDBDGWZCGA-UHFFFAOYSA-N 381.502 -0.244 30 20 GBED COc1cccc(F)c1C(C)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771897734 QXBVNMAWOZPZHO-UHFFFAOYSA-N 384.389 -0.066 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)/C=C/C(=O)Nc2ccc3n[nH]cc3c2)CC1 778699085 DFUNTMHSIQNAAD-AATRIKPKSA-N 394.435 -0.049 30 20 GBED CN(C)S(=O)(=O)c1ccccc1NN=Cc1c(N)n(C)c(=O)n(C)c1=O 793191638 MPMAKCIEPFOZKP-UHFFFAOYSA-N 380.430 -0.638 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC1 831575098 WZRRWFSWRJJARV-UHFFFAOYSA-N 375.454 -0.150 30 20 GBED C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1ccc(=O)n(CC)c1 848964504 AEKISTNCDVRNHI-LBPRGKRZSA-N 375.472 -0.059 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 898484678 YIFBTHQVCFLOQL-SFHVURJKSA-N 394.516 -0.603 30 20 GBED COCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 916891794 FKTCOELNOKWCMI-DJJJIMSYSA-N 384.392 -0.149 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)ccn2)C[C@H]1OC 946820455 XDJUEXZSBBBGIQ-DMRZNYOFSA-N 388.424 -0.273 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 970158948 SYHZYWDTNGEWPS-AEIGPULVSA-N 376.413 -0.557 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(C(=O)NC)c2)C[C@H]1O 1025711363 OYFNYWLGZPZDMY-VQHPVUNQSA-N 387.436 -0.061 30 20 GBED C#CCO[C@H](C)C(=O)N1CCN(C2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 1073573017 UNEOQVNFCIEDQF-DDBAPUKQSA-N 375.469 -0.053 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NCC(=O)N2CCNC(=O)C2)C1 1086806173 FJOJNONPEUBKPY-JJXSEGSLSA-N 378.473 -0.590 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCN1C(=O)CCC1=O 1110627822 UUOPCLPZXWQOLC-MCIONIFRSA-N 375.429 -0.723 30 20 GBED C[C@H](COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N)N1CCCC1 1111036956 BQCCUKYJAKGDHW-VQHPVUNQSA-N 377.489 -0.151 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@H](O)COCCOC)nn1 1111112547 SMGHPFCMCSNRBB-DLTWYDFYSA-N 379.461 -0.177 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 1117326278 GURWRTVUMMWBDU-MRXNPFEDSA-N 375.473 -0.002 30 20 GBED C#CCN(C(=O)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1)C1CCCCC1 1117907020 MRKMKSPONZFDMU-UHFFFAOYSA-N 390.484 -0.024 30 20 GBED C=CCn1c([C@@H]2SCCNC2=O)nnc1N1CCN(CC(=O)NCC)CC1 1121604502 OGQHOYKWUKXJCJ-AWEZNQCLSA-N 393.517 -0.374 30 20 GBED CCN(CCC#N)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1184483376 JJQQBXXJDHIWCE-UIBIWLFHSA-N 378.473 -0.009 30 20 GBED Cn1c(CC(C)(C)C#N)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1262906297 MHXGHFOFZYBZFA-UHFFFAOYSA-N 375.477 -0.112 30 20 GBED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCOCCO)cc1 1327296544 IPDBBTPOEXITOX-LBPRGKRZSA-N 383.426 -0.222 30 20 GBED C=C(C)Cn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCN(C)C(=O)[C@H]1C 1343908262 VMMLGFTYXPIMCE-GFCCVEGCSA-N 387.444 -0.415 30 20 GBED Cc1ncc(-c2nnc(N3CCN(S(=O)(=O)N(C)C)CC3)n2C)cc1C#N 1345096646 QMPHNCYYIJADSG-UHFFFAOYSA-N 390.473 -0.014 30 20 GBED CN(C)CCOc1cc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)ccn1 1345879408 GGWUBQJJMBGWQR-SFHVURJKSA-N 375.429 -0.485 30 20 GBED N#Cc1cnc(NC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCO2)cn1 1571152024 BHWIFGVJFNQXDN-LLVKDONJSA-N 380.372 -0.190 30 20 GBED C=CCOCCN1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573347835 IIOHIHXQCWULHC-QGZVFWFLSA-N 375.433 -0.046 30 20 GBED C=CCN(CCOC)c1nnc([C@H]2C[C@@H](N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1574930432 UFOYUSYPBAJMTR-VBQJREDUSA-N 399.517 -0.329 30 20 GBED C[C@@H](CN=c1cc[nH]c(C#N)n1)CNC(=O)C1CCN(Cc2cnn[nH]2)CC1 1575579708 WXFLZCUTYIJZLQ-ZDUSSCGKSA-N 383.460 -0.035 30 20 GBED N#Cc1cn(C2CN(c3cc(-c4nn[nH]n4)nc(C4CC4)n3)C2)c(=O)nc1O 1581876728 DYAQNZCOOSGBFY-UHFFFAOYSA-N 378.356 -0.271 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 1588356768 ZYSSWDVMVXCIEB-AAEUAGOBSA-N 376.392 -0.389 30 20 GBED C=CCOCCNC(=O)C(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 1588683243 PNADENXGXSAIIV-UHFFFAOYSA-N 385.428 -0.166 30 20 GBED COCC#CCNC1CCN(CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1591361873 QBHVCYZTXVXCCK-UHFFFAOYSA-N 386.460 -0.372 30 20 GBED N#CCNC(=O)CN1CCC2(CC1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 1592678076 OCGRLNRWKTYTPY-UHFFFAOYSA-N 383.416 -0.627 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCNC(=O)C3)CCO2)C1 1778976020 MXPLAKBPFXLYDZ-QEEYODRMSA-N 393.484 -0.084 30 20 GBED CN(C)CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779100287 ANJSEUJSLFOWOG-FCGSJESLSA-N 382.461 -0.093 30 20 GBED N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNC(=N)N)C3)CCC1 1783124904 ZRUXFVKHLXUVPO-FZKQIMNGSA-N 376.461 -0.323 30 20 GBED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCNC1=N)C2 1783164581 JZIPTOPJQDJKFR-DNVCBOLYSA-N 375.473 -0.246 30 20 GBED CC(=O)N[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1783173920 QACAUIHIAFYWMJ-KUHUBIRLSA-N 393.488 -0.377 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)C3CC3)C[C@@H]21 1783527963 DRAJBMNEIOKMLM-FCLICNRPSA-N 389.452 -0.196 30 20 GBED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2 1783903066 FJNCEBPEUUJKSU-ACJLOTCBSA-N 376.413 -0.782 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCC3=O)[C@H]2C1 1786731107 ZNFQVXBRSUQWEZ-QAETUUGQSA-N 391.468 -0.373 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCSCC1 1792465009 HMRBQAQILRKYGY-CUSZFKRNSA-N 395.525 -0.337 30 20 GBED C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1793374807 ZZLBEWSDYKOKIZ-APIJFGDWSA-N 397.497 -0.049 30 20 GBED N=C(N)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)C2 1795981870 QEBXZZDDGBRCIM-JVXPSOIWSA-N 380.449 -0.363 30 20 GBED CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](S)C(C)C)C2 1796316301 CZBKOWFVEBTFRS-NDKCEZKHSA-N 386.518 -0.023 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ncccn12 1797029524 DZJUIJMGEHPWEB-DRXBFXEBSA-N 383.364 -0.980 30 20 GBED C[C@@H](Cc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800781208 OFTVJNOAVYBNON-ZTENYAIWSA-N 385.420 -0.062 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN(C)C)C2)C1 1831424920 OAIMJLKJOLYTLM-QFBILLFUSA-N 383.489 -0.014 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1834760382 BALMCUISPQEHHU-GOSISDBHSA-N 384.396 -0.058 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN(C)C)CCO2)C1 1835385871 XNFFEWSZDPLMNJ-OXQOHEQNSA-N 397.516 -0.032 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837255989 FBAWFPBIXQHNPO-AQWUKCDYSA-N 389.452 -0.309 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839085190 ZZDSBWYJMFPYRH-GUXCAODWSA-N 389.452 -0.523 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1 1839192828 RHFCCXRIFNOARW-KRWDZBQOSA-N 388.486 -0.629 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839517100 IYNZDVCKJJEYCJ-GOSISDBHSA-N 389.412 -0.351 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839883140 QOFQAAHDSOQTCN-GOSISDBHSA-N 399.513 -0.112 30 20 GBED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)no1 1840043910 AZHGBAHRKPQSIQ-GOSISDBHSA-N 391.380 -0.930 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1840104223 JZWDVIDISAPHKC-LJQANCHMSA-N 392.456 -0.241 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840605997 JRFLAHYOZHTLQP-BAPGRXHISA-N 394.468 -0.074 30 20 GBED COCCN1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 267634028 ZETPRTVXILAAIX-UHFFFAOYSA-N 397.439 -0.073 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 272002339 HYOUMIYNEVFMDB-ZDUSSCGKSA-N 399.494 -0.296 30 20 GBED O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CC[C@@H](N/C(O)=N/C2CC2)C1 329524795 QPAPPAAGNANWAV-MRVWCRGKSA-N 398.485 -0.711 30 20 GBED C[C@@H](CCN1CCN(C)CC1)/N=C(/O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 329986655 RZWKMYNKKAMNNF-GJZGRUSLSA-N 375.539 -0.108 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 349599040 APAUWENOHZUQMZ-IHRRRGAJSA-N 379.504 -0.416 30 20 GBED CC1(C)CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C[C@H](CO)O1 422104936 POFZBMUEYUEDGF-OAHLLOKOSA-N 387.440 -0.400 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N(CCO)CCCO)n2)c(F)c1 440303250 BPVRLTARFIAHLQ-UHFFFAOYSA-N 375.360 0.025 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCN(C)[C@@H](C(C)C)C2)CC1 459885950 NLASXMQHORLGHO-MRXNPFEDSA-N 379.505 -0.769 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(NC(N)=O)CC1 482399299 FVZVCWVYFBLSBT-LLVKDONJSA-N 379.442 -0.116 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)Cc1cccc(C#N)c1 498878319 YIBCFWRINMYGMG-HNNXBMFYSA-N 395.437 -0.232 30 20 GBED CN(C)C(=O)Cn1cc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cn1 514975709 XHIUQNKHEKLJDK-UHFFFAOYSA-N 390.425 -0.240 30 20 GBED COC(=O)[C@@H](O)C1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 539239723 JQDZNERNZYCJSL-WMZOPIPTSA-N 380.489 -0.075 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCN2C(=O)CCC2=O)c1 555025736 SVKQWOMRCYEKNK-UHFFFAOYSA-N 378.410 -0.508 30 20 GBED CC(C)(C#N)CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 584853293 UJYVKHSREHXGDJ-UHFFFAOYSA-N 386.474 -0.741 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCN(CC#N)CC2)cc1 592766946 IPJGZIIWWQSORL-UHFFFAOYSA-N 379.442 -0.409 30 20 GBED CN(C)c1noc(Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)n1 600607631 JJWAHMIWYRSGCS-UHFFFAOYSA-N 376.373 -0.279 30 20 GBED CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N3CCN(CCC#N)CC3)C2)CC1 601476124 ZOCFMPVHTBKAFY-SFHVURJKSA-N 390.532 -0.329 30 20 GBED CN1CCC(C#N)(NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 609519372 ZEINKDZPSHBWPO-INIZCTEOSA-N 377.489 -0.196 30 20 GBED Cc1nc(NC(=O)CNC(=O)c2ccc(C#N)cc2)c(C(=O)NCCO)n1C 619573693 PZQQEFFGNIZUBF-UHFFFAOYSA-N 384.396 -0.309 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2cc(F)cc(F)c2)CC1 761033347 VHHZYCBXYVJHKP-UHFFFAOYSA-N 386.424 -0.334 30 20 GBED CCOC(=O)CON=C(C(=O)NCc1ccc(-n2cncn2)nc1)c1cc[nH]n1 770836437 XSNOGHKTICAHGI-UHFFFAOYSA-N 398.383 -0.014 30 20 GBED CC(C)(C)NC(=O)NC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 821693388 OYOBTYYWQSMUGB-UHFFFAOYSA-N 396.425 -0.107 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OCCOC 823856616 VGKSWKLLFDBPPD-UHFFFAOYSA-N 388.384 -0.404 30 20 GBED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c[nH]c(C(=O)O)c2)c1=O 833368181 IRKWMWVWWCBGGE-UHFFFAOYSA-N 396.428 -0.305 30 20 GBED C#CCN(CC(=O)N1CCC(NS(=O)(=O)NC)CC1)C(=O)OC(C)(C)C 834804336 LQXHPMZAELHNJV-UHFFFAOYSA-N 388.490 -0.099 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3C=C)C[C@@H]2O)nn1 963318036 TZUVACTWVJENTM-VDERGJSUSA-N 375.429 -0.253 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c(C)nn(C)c2OC)C[C@H]1O 1025710457 QDXOPUBBFZHKIR-SYQHCUMBSA-N 378.429 -0.370 30 20 GBED CN(C)S(=O)(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 1092980558 FWVOUFCNLISTCH-UPJWGTAASA-N 378.458 -0.144 30 20 GBED CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N)N1CCCC1=O 1110194896 HGKGSDPFUSUCGK-LLDVTBCESA-N 375.473 -0.005 30 20 GBED C[C@@H]1Oc2c(cccc2C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)NC1=O 1122496922 RYSZNLDBFTVPLM-JQWIXIFHSA-N 391.405 -0.015 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 1219657889 AXYBQGQNFGXLCP-JJXSEGSLSA-N 387.440 -0.642 30 20 GBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 1220516955 NQIMGVKRLJXTFK-MJQMVNBJSA-N 388.468 -0.035 30 20 GBED COC(=O)CN(C)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1253863496 JCVPDKPBOKFVSZ-LBPRGKRZSA-N 382.442 -0.554 30 20 GBED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC#Cc2ccccc2)CC1 1322988818 TVYVCHLZTKWJNW-GOSISDBHSA-N 382.464 -0.081 30 20 GBED C#C[C@@H](NC(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O)C(C)(C)C 1323155862 QLOQWQAXGAJLNP-CYBMUJFWSA-N 381.454 -0.005 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)NC1CN(c2ccc(C(=O)OCC)cn2)C1 1323517988 RHLFNCGHYCASQD-CYBMUJFWSA-N 376.413 -0.120 30 20 GBED COCCN1C(=O)c2ccc(C(=O)N3CC(O)(CC#N)C3)cc2S1(=O)=O 1326850058 VNVLPQXVMSUXCP-UHFFFAOYSA-N 379.394 -0.422 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 1328733796 WDTWXUOJMJHRQC-KRWDZBQOSA-N 398.463 -0.262 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCC1(S(C)(=O)=O)CCCCC1 1329043515 BNQDUYPHUZZIPT-UHFFFAOYSA-N 394.515 -0.433 30 20 GBED C[C@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1)c1cccc(C#N)c1 1331501267 FIFLFVPNTDKZQU-ZDUSSCGKSA-N 394.453 -0.486 30 20 GBED COCCOCCN(C)C(=O)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1332388133 UFFZURITLWDXOW-UHFFFAOYSA-N 375.429 -0.277 30 20 GBED COc1ccc(C(=O)NCC(=O)NCC#N)cc1S(=O)(=O)N1CCOCC1 1346130709 GRNOSBKJFPOJLP-UHFFFAOYSA-N 396.425 -0.914 30 20 GBED COC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CCO1 1348135730 JEBMIGBUYWRBFK-MRXNPFEDSA-N 386.408 -0.393 30 20 GBED C#CCN1CCN(c2nnc(CC[C@@]3(C)NC(=O)NC3=O)n2CC2CC2)CC1 1349088443 INCYBDJHOMFIDH-LJQANCHMSA-N 385.472 -0.026 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCC(N3CCCS3(=O)=O)CC2)CC1 1356290437 WGSPCYCLKZDINR-UHFFFAOYSA-N 399.513 -0.058 30 20 GBED CC(C)NC(=O)c1cnn2c1C[C@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)CC2 1472760525 ZDHPLLRSMDURDX-LLVKDONJSA-N 385.428 -0.046 30 20 GBED C[C@@H](C#N)C(=O)N1CC(N2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1 1573562348 SPCMHCPAQCYOCF-NSHDSACASA-N 383.416 -0.677 30 20 GBED N#Cc1nccc(N2C[C@H]3[C@H](CNC(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@H]3C2)n1 1581885327 WKZIWXDPBRVYRA-CNDDSTCGSA-N 376.384 -0.031 30 20 GBED C#CCNC(=O)CNC[C@]12CCC[C@H]1CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 1588354651 UELCWMIENIWCAF-DJJJIMSYSA-N 396.455 -0.224 30 20 GBED C#CCOCCC(=O)NC[C@]1(O)CCN(c2nc(C)ccc2-c2nn[nH]n2)C1 1588362158 XIJXJKITEDNHHX-GOSISDBHSA-N 385.428 -0.333 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)NCCCNc1nccnc1-c1nn[nH]n1 1588658183 AUQWHGARNZRNCL-UHFFFAOYSA-N 388.436 -0.161 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588722849 CVFNJENZPWABKT-BZPMIXESSA-N 389.416 -0.665 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCN2CCOC[C@]2(CO)C1 1592664641 GMPKDHNJGNWAAG-QFBILLFUSA-N 397.439 -0.546 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)O)CC1 1602726602 SRWBKRPVSQGTRO-CHWSQXEVSA-N 393.487 -0.955 30 20 GBED C#CCOCCC(=O)NC[C@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1 1602729199 JICJEHBGWGIOLD-MRVPVSSYSA-N 385.837 -0.095 30 20 GBED C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cc1 1602735497 HUDAUOGROAAETB-UHFFFAOYSA-N 391.391 -0.207 30 20 GBED C=CCCO[C@@H](C)C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 1602840696 COVXCNSSSLFDQC-STQMWFEESA-N 388.432 -0.041 30 20 GBED C=CCCOCC(=O)NC[C@@H]1COCCN1c1nc(C)cc(-c2nn[nH]n2)n1 1602844919 UMNCATIULTXGQS-CYBMUJFWSA-N 388.432 -0.121 30 20 GBED C#C[C@H]1COCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1609020274 WXXJQWGATBLXBT-AAEUAGOBSA-N 390.425 -0.606 30 20 GBED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1618794613 OZVVPHMWFHWVAZ-OAHLLOKOSA-N 397.439 -0.096 30 20 GBED CS(=O)(=O)CCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1 1620162652 SZTKQTIKEOTRME-LBPRGKRZSA-N 377.430 -0.101 30 20 GBED COC(=O)C1(C#N)CCN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 1655318833 NMXCSIWPDASQHW-GFCCVEGCSA-N 378.472 -0.080 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCC1 1751235591 NMDYNQDGARVLJP-NEPJUHHUSA-N 384.462 -0.468 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1778970274 YMWBGXGTPWIAER-JXFKEZNVSA-N 395.500 -0.278 30 20 GBED CN[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1)C(=O)O 1781400247 KDONNZGFMSYKDZ-LBTNJELSSA-N 398.460 -0.320 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4ccnn4)C[C@@H]32)c1 1789344173 VDKGTWKBICSPHA-DZKIICNBSA-N 383.412 -0.229 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)cn3)C[C@@H]21 1791074283 NZMKFGJDRQJRNE-WHOFXGATSA-N 375.356 -0.098 30 20 GBED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=N)N)C3)cc1 1792558003 QWOGSMVNKYPOMU-JLVBRIDZSA-N 384.440 -0.827 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2 1793342773 RDAODWOXYXQAFQ-NRWUCQMLSA-N 390.396 -0.871 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(CO)on1)C2 1793345219 OGOTVJPBFDMOMH-JFILPPLUSA-N 377.397 -0.592 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1ccnn1)C2 1793346174 BVXWWVPEOGJTOI-GVRJEKJASA-N 375.429 -0.533 30 20 GBED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1793349232 HAPRVKIGCKXRHL-KRXQYRFLSA-N 396.488 -0.848 30 20 GBED C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1793366974 ZNFAUNGFVNJCFD-FQUUOJAGSA-N 385.486 -0.194 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2 1793822523 ZQAZRVHDLVSEHX-DRXBFXEBSA-N 394.501 -0.172 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCNC3=O)CC1 1794972943 QKYJBHYXQCGIQL-JJLQDPRZSA-N 398.423 -0.867 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1831487077 JYHJNZYYVFYVAI-WBVHZDCISA-N 397.501 -0.311 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CC(=O)NC)CC2)CC1 1833435839 HEJJOTVSUMKMKL-HNNXBMFYSA-N 392.500 -0.268 30 20 GBED COc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835354379 SKFJZCGHJNUUGM-SFHVURJKSA-N 391.428 -0.198 30 20 GBED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)CN)CCO2)C1 1836490901 QFOKYRQQICJLQJ-HNAYVOBHSA-N 382.505 -0.279 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1839806780 DFFMBLNKWBYPIP-HXUWFJFHSA-N 395.419 -0.030 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840360291 XTJYOMVMGBPXTI-CJNGLKHVSA-N 383.474 -0.557 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC[C@H]1CCOC1)CCO2 1840590026 AUAHDYQCPSIIGB-HNAYVOBHSA-N 394.424 -0.653 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)CC)C2)C1 1840841015 YRMPJLULSJXFAC-KRWDZBQOSA-N 386.470 -0.709 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1840844655 HFCQICNERZMCIH-SFHVURJKSA-N 375.429 -0.462 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2 1844237392 PJEPQNRNQAAUGN-CABCVRRESA-N 381.473 -0.587 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)CC1 112904545 FEVZRXXEHNLEEQ-UHFFFAOYSA-N 395.467 -0.068 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CCO1 264487952 VTNKQOFFJHXSIN-LBPRGKRZSA-N 391.815 -0.034 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](C)O[C@@H](C(N)=O)C1 273318515 NTRFTIUULBWMNQ-IAQYHMDHSA-N 390.396 -0.377 30 20 GBED COc1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)ncn1 273892180 CTGUKXILUXANES-LLVKDONJSA-N 382.384 -0.177 30 20 GBED COCCNC(=O)/C(C#N)=c1/s/c(=C\c2ccnn2C(C)C)c(=O)n1C 279871553 GKNNWVZFQSIAAX-UGSCKMHUSA-N 375.454 -0.510 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCCOC2)n1 349594510 SHKJATFYCUIPQE-LBPRGKRZSA-N 391.475 -0.478 30 20 GBED COCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCO[C@@H](C#N)C1 409505539 YEMYHHCBGZJPCF-HOTGVXAUSA-N 396.469 -0.581 30 20 GBED C[C@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409525529 NTDWMDKXMXMRLN-JKSUJKDBSA-N 399.517 -0.526 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCCCN2C(=O)COc3ccccc32)CCO1 410139824 ZVZSOOAFWNLLIG-CYBMUJFWSA-N 380.426 -0.139 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C)C[C@@H]3CCC[C@H]3O)CC2)c1C#N 410835983 PPOZTLGUMUCRPM-GOEBONIOSA-N 388.472 -0.132 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@](C)(C(=O)O)C3)CC2)c1C#N 422874159 NDNSXXUCSJRBBF-SFHVURJKSA-N 388.428 -0.428 30 20 GBED C=CCN(CC=C)C(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 459819396 UIOUXLOQWIRRLG-MRXNPFEDSA-N 378.473 -0.422 30 20 GBED COC(=O)C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 478261628 YCMAUFKLWXNIKR-CYBMUJFWSA-N 397.409 -0.600 30 20 GBED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NCC)CC1 508918133 LLOPCQCBMQQWKB-UHFFFAOYSA-N 375.477 -0.042 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)NCCCN(CC)S(C)(=O)=O)CC1 551635329 UGWLIUHIHMGKGH-UHFFFAOYSA-N 388.534 -0.069 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@@H](CO)C2 579734122 JHVBRCJJVKBYGK-AGIUHOORSA-N 379.504 -0.227 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 658916607 YZNKZUJGQNHQCK-OAHLLOKOSA-N 390.440 -0.650 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc23)CC1 728608512 DXNCZHRVEYUTPO-AWEZNQCLSA-N 396.451 -0.425 30 20 GBED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cncs2)c1=O 767872152 MZEOQFUFEIQVQD-UHFFFAOYSA-N 376.463 -0.182 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H]1CCCO1 809307192 ADESEZVIRMGAMF-LSDHHAIUSA-N 387.396 -0.065 30 20 GBED C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1S(=O)(=O)N(C)CCC#N 820803753 GUBBTOJTQGAHHR-LLVKDONJSA-N 392.449 -0.743 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 826815436 KRNIWKUPSLBSDC-UHFFFAOYSA-N 381.454 -0.421 30 20 GBED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@@H]1CCCN(O)C1=O 848135367 MKWVUXOEFVGYTL-VXGBXAGGSA-N 384.433 -0.002 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCc3c2cnn3C)CC1 892013412 JOAMMBQSQZOLID-CQSZACIVSA-N 380.474 -0.408 30 20 GBED C#Cc1cncc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H](OC)C2)c1 946762141 GTLBHCBTGHFBHJ-QKPAOTATSA-N 386.408 -0.949 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3c(c2)nnn3C)C[C@@H]1O 970714421 VHSDHFHMKFXMBE-IRWJRLHMSA-N 385.424 -0.139 30 20 GBED O=C(NC1(CO)CCN(C(=O)C#CC2CC2)CC1)[C@@H]1OC[C@@H]2COCC[C@@H]21 1080939186 LWZXPMYBQQHQOP-XYJFISCASA-N 376.453 -0.079 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCNC(=O)C1 1098019913 UGTYYIOSXALHGO-LCEIHVTHSA-N 390.484 -0.353 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@H]1CCCS(=O)(=O)C1 1109936326 RZEKNBRNIGSVGL-KBXIAJHMSA-N 382.486 -0.437 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCNC(N)=O 1110080938 WLMNRZHVHCPMJF-RNJOBUHISA-N 380.449 -0.833 30 20 GBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(C)c(=O)nc1O 1110103258 LRIKZJZORIJLPG-XCCSTKFXSA-N 375.429 -0.488 30 20 GBED C=CCOCCNC(=O)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 1118562926 LJMZJMCICMHOHD-ZDUSSCGKSA-N 390.400 -0.311 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(N3CCCNC3=O)CC2)C1=O 1319597697 SIVPSOYIQPMIBR-UHFFFAOYSA-N 377.401 -0.631 30 20 GBED C[C@H](OC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)NC1(C#N)CCC1 1320762782 UESCYPQRQLSYTQ-XQQFMLRXSA-N 397.453 -0.484 30 20 GBED CCS(=O)(=O)CCNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1322490121 CCBDCTCTFLDCSQ-UHFFFAOYSA-N 393.469 -0.411 30 20 GBED CC#CCN(C)C(=O)C(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 1325699167 WUTLVQAQXPVREC-UHFFFAOYSA-N 392.481 -0.275 30 20 GBED C[C@H]1[C@@H](C)N(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)CC[S@]1=O 1328497063 NVTOLILRMIKDJS-MWSMCUOVSA-N 389.481 -0.030 30 20 GBED CC(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1360000968 SUUPWXHSZJQGKX-ZIAGYGMSSA-N 398.489 -0.004 30 20 GBED COC(=O)CCN1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@H]1C 1546259632 WPCBWXKSZPVFGR-GFCCVEGCSA-N 377.401 -0.694 30 20 GBED C#CCN(CCOC)c1nnc([C@@H]2CCCN2)n1C[C@]1(O)CCS(=O)(=O)C1 1574666762 HSDASGZJLRECAE-WMLDXEAASA-N 397.501 -0.662 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cn3)C[C@H]2O)c1 1581862445 BTCMQDJYKLYODJ-TZMCWYRMSA-N 379.384 -0.169 30 20 GBED C#CCN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CCN([C@H]2CCNC2=O)CC1 1588348658 GXBMYTVHZLAUCO-HNNXBMFYSA-N 382.428 -0.377 30 20 GBED C#CCN(C(=O)c1cnn[nH]1)C1CCN(c2nccnc2-c2nn[nH]n2)CC1 1588348992 XNDAHQCMRHJCPZ-UHFFFAOYSA-N 379.388 -0.481 30 20 GBED C#CCN1CCC(C(=O)N[C@@H](C)[C@H](C)N=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1588351600 AEVGOEJLOAMGNQ-STQMWFEESA-N 383.460 -0.271 30 20 GBED CN1C[C@H](C(=O)O)N(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1=O 1598561705 CMSWOKUBVURGJX-CYBMUJFWSA-N 394.409 -0.754 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ncc(C(=O)O)s2)CC1 1602726894 WBZHFUBUCLEXAQ-UHFFFAOYSA-N 387.443 -0.864 30 20 GBED C=C(CCC(=O)OC)C(=O)N1CC(n2cc(-c3nn[nH]n3)c(O)nc2=O)C1 1602768072 QNUQNGZXMAMZNT-UHFFFAOYSA-N 375.345 -0.978 30 20 GBED CC(C)C#CC(=O)NCCN1CCC(N=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1603188642 ATTUOESXOLMMGV-UHFFFAOYSA-N 383.460 -0.270 30 20 GBED N#CC[C@]1(O)CCN(c2ccc(-c3nn[nH]n3)c(N3CC[C@@](O)(CC#N)C3)n2)C1 1609494789 NEEFNAVBKOMDAR-ROUUACIJSA-N 395.427 -0.029 30 20 GBED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1 1731018854 OYJZUUPUTCLLPO-UHFFFAOYSA-N 389.441 -0.698 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)C1CC1 1751239993 XYKKHCAZXBQNDY-DETPVDSQSA-N 398.489 -0.222 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1753215556 SCIPZDUBSCVPIR-ZQDZILKHSA-N 382.461 -0.514 30 20 GBED CC(=O)N(CC(=O)O)C[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CCO1 1776202587 DXOMRZLMYWEZBT-ZDUSSCGKSA-N 382.398 -0.724 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779067466 UARCXEJJZRCEEN-FQEVSTJZSA-N 388.420 -0.397 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](O)N4CCOCC4)C3)C2)C1 1779085558 WYSBYYRHNYJFAJ-PKOBYXMFSA-N 379.457 -0.567 30 20 GBED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780330725 FOYDOHISTLDFIZ-KRWDZBQOSA-N 394.453 -0.235 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1781264064 PLPIZYNZAJBOBD-SFHVURJKSA-N 381.429 -0.538 30 20 GBED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1783894144 IDKRHCRWKDJXAX-BDJLRTHQSA-N 382.442 -0.291 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1793362356 NRGPRBSQRIWGMK-FLTUCWPJSA-N 391.424 -0.908 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2ncncc2c1 1797468525 BEULXXPSQFUOEM-CCWDJLKJSA-N 394.387 -0.079 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C2 1797706761 OZMTYCVGWFURFM-XYFZXANASA-N 381.473 -0.339 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC(N)=O)C2 1797710268 IRLDZLQHHYTGRK-XLWJZTARSA-N 396.488 -0.404 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cnccc3n1)C2 1800778205 GPTMTFMAJWUFLB-HBCWATKFSA-N 394.387 -0.079 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CC(N)=O)C3)C2)C1 1829660883 JTJSKPPYEFMRNN-KUHUBIRLSA-N 379.457 -0.080 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1830059681 IPPWGUGOLUCQCZ-GOSISDBHSA-N 392.412 -0.213 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1831391081 GBBOKESCZVDHEJ-BEFAXECRSA-N 390.440 -0.472 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)[C@@H](C)CC)CCO2 1831501327 JMNWYVDRKDYEOO-XLSPSMHOSA-N 396.484 -0.112 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834675797 XGUWVHNQGDOXEG-AWEZNQCLSA-N 392.504 -0.921 30 20 GBED COCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1834970020 CNPSTPHOYJHDEG-GOSISDBHSA-N 382.461 -0.629 30 20 GBED O=C(/C=N/N1CCCCC1)N1CC2(CCCN2C(=O)CN2CCOCC2)C1 1842825335 ZYUIAVKRJOWTLJ-DEDYPNTBSA-N 377.489 -0.006 30 20 GBED CS(=O)(=O)NCCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 272470884 WXYAUHSGJOMDOT-CQSZACIVSA-N 379.442 -0.098 30 20 GBED CC(C)OCCS(=O)(=O)N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 287887533 ONMYZJZVHYSWDT-UHFFFAOYSA-N 399.477 -0.768 30 20 GBED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1C 293310226 IAOBSLHTWXOQAE-UHFFFAOYSA-N 380.470 -0.087 30 20 GBED CN(c1ccc(C#N)nc1)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCOC1 349555974 VTMIXGVZYSSWHV-CYBMUJFWSA-N 388.471 -0.182 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCC(=O)N[C@H]2CCOc3ccccc32)CCO1 409791659 AVQDFIQJYFFXNS-OCCSQVGLSA-N 380.426 -0.315 30 20 GBED N#Cc1cccc(N2CCN(C(=O)C(=O)N3CC[C@@H](N4CCOCC4)C3)CC2)n1 460023705 RPZHGUZHOPSENR-QGZVFWFLSA-N 398.467 -0.465 30 20 GBED C[C@@]1(c2ccc(CNC(=O)NCCn3cnc(C#N)n3)cc2)NC(=O)NC1=O 491067651 RJRFXDWTVSJLDZ-KRWDZBQOSA-N 382.384 -0.296 30 20 GBED CCN(C(=O)CN(C)CCCc1[nH]nc(N)c1C#N)[C@H]1CCS(=O)(=O)C1 536342571 ZBXDZKJASXUKJO-LBPRGKRZSA-N 382.490 -0.236 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1C 539688501 DZJXIOIARYBBNI-UHFFFAOYSA-N 388.424 -0.176 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)NC[C@H]2CNCCCO2)CC1 595284002 MPMPUDORUCVSLP-CYBMUJFWSA-N 377.470 -0.237 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2C[C@@H](O)CC[C@H]2C1 595965683 SCAGIHJMXIYBJB-XQLPTFJDSA-N 393.531 -0.027 30 20 GBED Cc1nnc(N2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)n1C 602939692 CMDGPRRUDIGADK-KRWDZBQOSA-N 388.520 -0.062 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCc3nnc(C)n3C2)CC1 609754533 QVWWEJZUULOLBU-OAHLLOKOSA-N 375.477 -0.222 30 20 GBED C[C@@H](C#N)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611643490 PSGOEVRDSZWLLL-LOWVWBTDSA-N 382.398 -0.005 30 20 GBED C[C@H](O)CN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 731826469 DLTVXXPFODKLPA-ZDUSSCGKSA-N 380.470 -0.360 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(N(C)C(C)=O)CC2)c1=O 748077280 CSETUFMIRAXTJK-UHFFFAOYSA-N 377.445 -0.556 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 756752900 UECZGAIDCMINKN-UWVGGRQHSA-N 387.418 -0.970 30 20 GBED C#CCNS(=O)(=O)N1CCN(CCOc2cccc(C(=O)OC)c2)CC1 761030447 HVLNHLSFLDXRCF-UHFFFAOYSA-N 381.454 -0.063 30 20 GBED C[C@@H](OC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)NC1(C#N)CCC1 787720267 JNKXGNPDXOVUBA-XMKDAVRRSA-N 375.381 -0.357 30 20 GBED C=CCNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 819751125 QQADDHBDIOEVCI-JTQLQIEISA-N 394.413 -0.621 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2CCCNC2=O)[C@H](OC)C1 942749844 QHDQNXBKNTXRPR-APIJFGDWSA-N 380.445 -0.665 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CN2CCOCC2=O)[C@H](C)C1 949472104 FPEMSCOELWUKTB-FSZRXZPDSA-N 379.457 -0.211 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c(O)nnc2O)[C@@H]1C 988305721 VOCIFCYSBFSPSE-NDBYEHHHSA-N 379.417 -0.224 30 20 GBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@]34COC[C@@H]3C4)C[C@@H]2n2ccnn2)[nH]1 990851833 FZHGKIBVBBFQSZ-PDOBJIDASA-N 381.396 -0.304 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2cc(OC)nc(COC)n2)C[C@H]1O 1041350741 VATZVZUAJUQBOY-SYQHCUMBSA-N 378.429 -0.112 30 20 GBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C2)n1 1044661351 OTAAHAIGXWZAEP-VWPFQQQWSA-N 383.412 -0.684 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCN2C(=O)NC(C)(C)C2=O)C[C@H]1O 1077699188 WRLVYYPEARFCPQ-SYQHCUMBSA-N 380.445 -0.931 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1nccn1 1110601238 OUHWAXMZFRAAMQ-DGAVXFQQSA-N 375.433 -0.600 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCNS(=O)(=O)CC)nn1 1111112152 AVTZAIZCNRRWAO-NFAWXSAZSA-N 382.490 -0.262 30 20 GBED C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1)c1ccc(C#N)cc1 1118556252 LVXBNYLDGIASLZ-ZDUSSCGKSA-N 393.469 -0.314 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@@H]2CCC(F)(F)C2)CC1 1120106595 ZCTNNJIKGCRHAQ-GFCCVEGCSA-N 389.432 -0.302 30 20 GBED COCC#CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@]34COC[C@@H]3C4)n2)O1 1130782748 BRLFIMZHLWWAKF-ZTENYAIWSA-N 389.456 -0.083 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCC[C@]1(O)C(=O)Nc2ccccc21 1213795840 MYJQLGKMXZUEBT-MRXNPFEDSA-N 382.442 -0.087 30 20 GBED CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cn2ccc(=O)n(C)c2=O)cc1 1263375547 SBTHNAFZXFATNH-AWEZNQCLSA-N 397.391 -0.404 30 20 GBED Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NCCn1cnc(C#N)n1 1329182333 INFUZHYDYFHJHS-UHFFFAOYSA-N 384.400 -0.555 30 20 GBED N#Cc1ncn(CCNC(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)n1 1329228662 UKMXUMZWKFBQGB-LBPRGKRZSA-N 381.462 -0.347 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1ccc2c(c1)C(=O)NCC2 1329799330 CPKITLJWCDZCRY-UHFFFAOYSA-N 379.438 -0.694 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCc1cccnc1O 1331413369 RUXZBONDVFNAQB-LBPRGKRZSA-N 381.396 -0.198 30 20 GBED N#Cc1ccc(CCNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 1333337532 BXLHCTNXOCHAAK-UHFFFAOYSA-N 383.452 -0.360 30 20 GBED N#Cc1ccc(CCNC(=O)C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1 1334046215 RFHASECBJDJEIJ-QGZVFWFLSA-N 385.468 -0.079 30 20 GBED Cn1cc(C(=O)NCC2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cn1 1339915075 RFWIJRLZFHKRJW-OAHLLOKOSA-N 396.473 -0.669 30 20 GBED C[C@@]1(C#N)CCCN(C(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 1346201458 YUACTTAXFDVHRN-KRWDZBQOSA-N 384.502 -0.236 30 20 GBED CO[C@@H](CNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(F)(F)F 1346328084 VEVIAWSHOFNNJC-BLUPIXKYSA-N 378.307 -0.678 30 20 GBED Cc1nc(=NC(=O)Cn2ncn3nccc3c2=O)n(-c2ccc(C#N)cc2)[nH]1 1351121877 VBXVSFSXVAHIAS-UHFFFAOYSA-N 375.352 -0.288 30 20 GBED C[C@@H](C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 1571235592 KBTGOZJURUVRFH-APPDUMDISA-N 384.400 -0.202 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O 1573300895 WIEZCMIODQCFLO-GXFFZTMASA-N 375.389 -0.384 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc(-c2cnn(C)c2)n1CC(=O)NC(C)C 1574937133 ISBCDYAHKRDLEW-UHFFFAOYSA-N 382.432 -0.039 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)CCCc2cnn[nH]2)CCCO1 1575012637 FENOPLBNQCUQGP-HOCLYGCPSA-N 377.445 -0.101 30 20 GBED Cc1c(-c2nn[nH]n2)c(=O)n(CCOc2ccccc2C#N)c(=O)n1CCO 1580522800 VSUHTBLLHCEIQJ-UHFFFAOYSA-N 383.368 -0.559 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2O)nc1 1588370132 ORZLJFYIQKBPDT-HUUCEWRRSA-N 392.379 -0.814 30 20 GBED C=CCCOCC(=O)N[C@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 1588616644 KUMTWBDMCNXGPD-QGZVFWFLSA-N 388.432 -0.303 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCc3cc(-c4nn[nH]n4)ccc32)C1=O 1588655242 ZOHGCXBGOVLXNX-CYBMUJFWSA-N 395.379 -0.053 30 20 GBED N#CCNC(=O)CNCC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1592677322 CANSJTWJOBBSMW-GFCCVEGCSA-N 385.432 -0.191 30 20 GBED CCN(CCC#N)S(=O)(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)O)C2)C1 1596300379 YCCPNCZVFDFYFY-MBHSVXNSSA-N 393.487 -0.133 30 20 GBED CCN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1764691640 QIVKYWRDUUAHQN-CHWSQXEVSA-N 396.473 -0.613 30 20 GBED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)Cn1cnnn1)CCO2 1779137509 PPCGPUNTIBDLGH-OGUWASHFSA-N 387.400 -0.785 30 20 GBED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)n1ccnn1 1782015609 VGGAMMVQGWKLQD-PMUMKWKESA-N 389.412 -0.559 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1783565624 NZSLYGPZWVJHSS-LJQANCHMSA-N 397.391 -0.810 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cnnn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c1cc(=O)n3[nH]cnc3n1)C2 1793565672 CZSZTWGHKPJQTI-YIYPIFLZSA-N 398.423 -0.292 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(N)=O 1796316112 AYMNXLDAPNCZMU-QVHKTLOISA-N 384.502 -0.058 30 20 GBED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)[nH]1)C2 1797742630 ZMLSAFMPQZMEAW-AHHGSBDBSA-N 390.444 -0.210 30 20 GBED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1)C(F)(F)F 1799142852 JPXBFFTUVXACCH-PPCPHDFISA-N 377.363 -0.583 30 20 GBED C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807056800 WJJJMBSHSPPPKS-PCBIJLKTSA-N 393.513 -0.002 30 20 GBED C=CCC(=O)N1CC[C@H](CNC(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1812716395 OKXIRXWDJAJLKH-XLIONFOSSA-N 390.484 -0.050 30 20 GBED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830049522 AEBOVSMGGDYFML-BEFAXECRSA-N 394.472 -0.093 30 20 GBED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831216376 NEBOSQZAGNBULY-MGPUTAFESA-N 389.452 -0.453 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1831391295 MPLBBQKJHKOZBD-HNAYVOBHSA-N 390.440 -0.472 30 20 GBED NC(=O)[C@@H](N)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831670488 YETSLAJCYRKEMU-GJZGRUSLSA-N 392.456 -0.713 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CSC(=N)N)C3)C2)CC1 1835342683 KDULWVBBYNNUJT-INIZCTEOSA-N 381.458 -0.627 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1835353733 CEELCVUIJIUWFB-IEBWSBKVSA-N 387.440 -0.158 30 20 GBED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)CN)CCO2)C1 1835555556 GOKVJAKDZMYYAQ-IBGZPJMESA-N 388.424 -0.648 30 20 GBED CC(=O)O[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)C(C)C 1837216678 QDLJZGCAPHCKBU-AEFFLSMTSA-N 381.429 -0.056 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1837695243 WNTMBQULKOWISQ-KUHUBIRLSA-N 390.440 -0.563 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(O)c3ccn(C)c13)CCO2 1838440339 ZXXKYIJWAOIRLF-HXUWFJFHSA-N 398.419 -0.018 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839867687 ZXIZPRIHPDSQRW-UGSOOPFHSA-N 378.429 -0.871 30 20 GBED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839890584 HRDKHQCONJWWCA-INIZCTEOSA-N 386.351 -0.258 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccoc3)C2)C1 1840040993 KCEDJFBYTPDGFM-SNDJDQCESA-N 388.376 -0.163 30 20 GBED Cc1noc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)n1 1840159738 MFYDAFJWOTYQQP-MEDUHNTESA-N 384.458 -0.305 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNC(=O)c1ccccc1)CCO2 1840800874 WKKORCACOZKCJH-OAQYLSRUSA-N 399.447 -0.104 30 20 GBED CS(=O)(=O)c1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)c1 1847384674 KNFOMRBPAGOCMX-GJZGRUSLSA-N 390.417 -0.007 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O 1848128521 HBLNPIWBMMSERZ-RNJOBUHISA-N 379.417 -0.413 30 20 GBED Cc1cc(NC(=O)CN2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)no1 28754245 AWCLPDUMMMYHSB-UHFFFAOYSA-N 387.400 -0.987 30 20 GBED N#Cc1ccc(CNC(=O)CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 265388658 SXWRVBDGHKHPCS-IAGOWNOFSA-N 392.481 -0.738 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](O)c1cnn(C)c1 268922286 PBURLMHLAIFUOY-ABAIWWIYSA-N 377.426 -0.192 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCN(C[C@H]2CCOC2)CC1)c1cc[nH]n1 277911655 FZERKUDNQOESFG-LQFHHUIYSA-N 393.444 -0.126 30 20 GBED Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 283296735 XDCDCRLJYPUVEB-UHFFFAOYSA-N 378.400 -0.311 30 20 GBED C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 288731114 CFWSASQDFDORKI-ZBFHGGJFSA-N 387.440 -0.088 30 20 GBED C[C@H](O)CN(C(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@@H](C)CO 297876047 UJZYKGGULKJNAL-BQFCYCMXSA-N 388.468 -0.187 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 349482265 REUQIKCEPQITOO-RYUDHWBXSA-N 398.466 -0.470 30 20 GBED C[C@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N[C@H](C#N)C(C)(C)C 349515963 BZDDTXKPWBAJAU-NWDGAFQWSA-N 394.519 -0.616 30 20 GBED CNC(=O)[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1cc(C#N)ccn1 349550751 JDWUWIUGMSGUEF-SNVBAGLBSA-N 389.459 -0.861 30 20 GBED Cn1cc(S(=O)(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)c(=O)n(C)c1=O 363919983 AXSWWKWRQVWQPP-CZUORRHYSA-N 382.442 -0.300 30 20 GBED CC(C)[C@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 410140991 DFJUOTRBDWDZGF-RWMBFGLXSA-N 376.504 -0.009 30 20 GBED CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 441800074 JVGLMBXBVOWPBT-LBPRGKRZSA-N 396.329 0.518 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(Cn3cncn3)cc2)C1=O 498263468 KHDJEHSILDIGBI-UHFFFAOYSA-N 382.380 -0.081 30 20 GBED CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1=O 499490083 BWBJRDGXPZOFRD-OLZOCXBDSA-N 382.446 -0.543 30 20 GBED Cn1c(NCCOc2ccc(S(C)(=O)=O)cc2)c(C#N)c(=O)n(C)c1=O 517985029 DURUZGJQQZIEIM-UHFFFAOYSA-N 378.410 -0.150 30 20 GBED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1 550156937 SIXWTSPQTUTNAX-CQSZACIVSA-N 376.438 -0.012 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCc3nc(COC)nn3C2)C1=O 566704307 OVMFGUPPWFANMI-OLZOCXBDSA-N 390.444 -0.899 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@](O)(C(F)F)C1 568767971 CDXCRTWFGYUCEG-GFCCVEGCSA-N 389.446 -0.370 30 20 GBED CC[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC(N)=O)cc1 594539033 HRSQRUCUZUDEQB-NSHDSACASA-N 388.471 -0.285 30 20 GBED CN1CCN(C(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)[C@H](CN)C1 595989656 LVKGOWBQSYYFTC-CYBMUJFWSA-N 376.486 -0.630 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N2CCN(CC3CCOCC3)CC2)CC1 601457020 GGRUIBWQHVRHDC-UHFFFAOYSA-N 377.489 -0.385 30 20 GBED C=CC[C@@H]1CCCN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 668615788 YHPJCMWHHRXXHE-OAHLLOKOSA-N 386.518 -0.506 30 20 GBED C=CCN(CC(=O)O)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 762053910 YLQZPAYJRSZZSA-UHFFFAOYSA-N 381.410 -0.480 30 20 GBED C#CCN1CCN(C(=O)CN[C@@H](C(=O)OC)c2ccc(OC)c(O)c2)CC1 770688003 LXMCKMLDJZGZLQ-GOSISDBHSA-N 375.425 -0.018 30 20 GBED COC(=O)C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC 796935390 NYDTWIQNZFAQCY-GXFFZTMASA-N 398.393 -0.127 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCO[C@@H](C(=O)O)C3)n2)cc1 819100583 QVHFCRYXLMJJJI-CYBMUJFWSA-N 384.352 -0.551 30 20 GBED C#CCN=c1nc(N2CC[C@@](O)(CC#N)C2)[nH]c(N2CC[C@@](O)(CC#N)C2)n1 826623591 GNFBTSVTIIXWQX-ROUUACIJSA-N 382.428 -0.952 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C(CC)CC)C2)CC1 831556829 VSWOVWYQAWTQKR-AWEZNQCLSA-N 384.502 -0.365 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(OCCOC)c2)CC1 831556990 YPGFMMYZAKHXQD-UHFFFAOYSA-N 381.454 -0.063 30 20 GBED Cn1nc(Br)c2c(=O)n(CC(=O)N[C@H]3CNC[C@H]3C#N)cnc21 834493214 BUFDMDGHLCEIQI-SFYZADRCSA-N 380.206 -0.880 30 20 GBED CN(CCN1CCNCC1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 843337761 MOYZSMGGDSAIPI-UHFFFAOYSA-N 393.513 -0.131 30 20 GBED C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)N=c1nc(C)[nH]n1CC 848960562 JIRUZEBZVUZROH-UHFFFAOYSA-N 391.519 -0.166 30 20 GBED C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncc(C(N)=O)s1 848961149 QNPRZCGZRRWLFK-SECBINFHSA-N 394.500 -0.343 30 20 GBED CC(C)(C)OC(=O)NCCn1cc(C(=O)NCCn2cnc(C#N)n2)nn1 854439183 VKERVUBTJLZIBN-UHFFFAOYSA-N 375.393 -0.304 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCCN(CC(N)=O)CC2)cc1 920450962 PGBRUAVPVVYCJR-UHFFFAOYSA-N 378.454 -0.507 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H](C)C2)nn1 940265702 NIYSWPCJBUERGT-MHDGFBEUSA-N 376.417 -0.926 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 967420231 PSLXKLFWOZRHRA-FWYOQMDTSA-N 388.424 -0.537 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1O 1023958731 QNMOPBVIHKRGQR-FPCVCCKLSA-N 379.457 -0.332 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 1024562439 MVNOXNYAUUIBOK-NHIYQJMISA-N 380.445 -0.929 30 20 GBED C=CCCOCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1040529194 WGKVIMGLDGHPNF-MFWIUYSUSA-N 382.457 -0.290 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1043028415 MGDLKZIHNWSHJI-NEMWNAMBSA-N 391.468 -0.430 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C)n1cncn1 1110450940 DNIWAWJGPMVFNS-DGAVXFQQSA-N 375.433 -0.428 30 20 GBED CC(C)NS(=O)(=O)NCCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1116769158 AEIDJOHKJHPJKX-AWEZNQCLSA-N 393.469 -0.140 30 20 GBED O=C(CNS(=O)(=O)c1ccccc1)NCCN/C(O)=C1\N=CC=CC1=O 1117676252 XHCLSGOJPRNTJI-FOCLMDBBSA-N 378.410 -0.393 30 20 GBED C=C(C)COCCNC(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 1319773173 BSCMLWGPFNLBGY-UHFFFAOYSA-N 385.442 -0.460 30 20 GBED CN(CCC#N)S(=O)(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 1326712575 YIHDUUBDYRAQCX-UHFFFAOYSA-N 380.474 -0.037 30 20 GBED Cc1cccc2nc(CNC(=O)C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cn12 1328703253 PJLIHNYUTLIMAI-MSUUIHNZSA-N 396.407 -0.098 30 20 GBED C=CCN1CCC(NC(=O)C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)CC1 1341898954 PTJGGWOHORKERE-BFUOFWGJSA-N 391.472 -0.410 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 1342523976 BXHNGMUMIXRMTD-UHFFFAOYSA-N 375.516 -0.259 30 20 GBED C#CC1CCN(C(=O)C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CC1 1350530032 ZLGZKXNZIBUZHC-SFHVURJKSA-N 376.501 -0.229 30 20 GBED N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCOC2=O)CCO1 1505322391 MXZCLRUMBTTZPV-QWHCGFSZSA-N 389.416 -0.200 30 20 GBED CN(CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C(=O)c1cccs1 1515066764 MIFSWMUUOXBFHU-LLVKDONJSA-N 383.451 -0.214 30 20 GBED C#CCNC(=O)[C@H](C)N1CC[C@@H](N(CC)C(=O)CCOCc2cnn[nH]2)C1 1574985863 NIOICEHHUREXAG-GOEBONIOSA-N 376.461 -0.228 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)C2(Cc3cnn[nH]3)CCC2)CCO1 1575012736 GPDLNLVFWJEXEZ-ZBFHGGJFSA-N 389.456 -0.101 30 20 GBED N#Cc1nc(N2CCc3c(cccc3S(N)(=O)=O)C2)cnc1-c1nn[nH]n1 1581879625 QZSKZKYRFVRFGE-UHFFFAOYSA-N 383.397 -0.262 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)cn3)C[C@@H]2O)nc1 1588370321 ZUSZTAWECCLZTL-CABCVRRESA-N 376.380 -0.383 30 20 GBED C=CCOCC(=O)N[C@H]1COC2(C1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 1588674345 MTYUAYDTDGIJCX-LLVKDONJSA-N 387.400 -0.503 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)N1CCC[C@H]1C(=O)O 1589405287 BLUNBTXPOOBKQA-YPMHNXCESA-N 380.430 -0.347 30 20 GBED N#Cc1nc(N2CCC(C(N)=O)(N3CCCCC3)CC2)cnc1-c1nn[nH]n1 1592704835 QICNBYNWFLNJGL-UHFFFAOYSA-N 382.432 -0.161 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2O)c1 1602745981 ZXZHTMCJANSZER-CABCVRRESA-N 392.379 -0.814 30 20 GBED N#CC1(CNC(=O)CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CCC1 1606342811 CATLGPFYPNHCBI-UHFFFAOYSA-N 375.414 -0.045 30 20 GBED Cn1c(=O)[nH]c(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C#N)c1=O 1651288722 YUUKDVYPMRNYDY-UHFFFAOYSA-N 393.400 -0.405 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1778969640 OSGXVFWFOLNNFI-KDOFPFPSSA-N 377.445 -0.319 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020729 UQVFSBWNAFAQQQ-LSCADSNKSA-N 376.413 -0.624 30 20 GBED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1)N1CCN(C)CC1 1781093296 BXNJTSXIXANZAZ-APWZRJJASA-N 377.489 -0.244 30 20 GBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2 1785423751 AQJFDVYVHYDUCG-VQIMIIECSA-N 394.424 -0.276 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc(Cl)cn3)C[C@@H]21 1791076120 PDNOAAHIDLTUHJ-UBHSHLNASA-N 394.815 -0.396 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1S 1792502602 WLCXIYWDWKATMH-QHBPRCKVSA-N 375.406 -0.339 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1C[C@@H]2C[C@H]2C1 1797633529 XIWFARXHXUFPLM-AVBQZKFLSA-N 389.496 -0.046 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1C)C2 1799395090 CRIUFYFKEJENGI-JBXGNFEISA-N 394.472 -0.002 30 20 GBED C#CC(=O)N1CC[C@H](CNC(=O)Cn2cc(C)c(O)nc2=O)[C@H]1c1cccnc1 1814037749 OEFGSPPCKDBXHZ-CRAIPNDOSA-N 395.419 -0.008 30 20 GBED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1831174593 LFHXGXOQGZWMOS-LIRRHRJNSA-N 394.472 -0.093 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1831390952 AVEJKDPKCQVRBV-KXBFYZLASA-N 388.424 -0.415 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1831401686 FFFZSCBBIXDIQF-DNVCBOLYSA-N 390.440 -0.553 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnnn1C)CCO2 1833225178 GTRHYGDDXXBDAA-QGZVFWFLSA-N 395.485 -0.196 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2 1833495812 ANMDOBYEGYCYJQ-SFHVURJKSA-N 390.396 -0.179 30 20 GBED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835352439 ZOQAIGZTZXFJSS-YJBOKZPZSA-N 380.445 -0.339 30 20 GBED O=C(/C=N/N1CCCCC1)N1CCC(OC2CCN(C(=O)C(O)O)CC2)CC1 1836630744 DNLCVKWPSFKLFN-XSFVSMFZSA-N 396.488 -0.233 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840160317 DRHCUBBTVBDQHA-ZUZCIYMTSA-N 399.429 -0.294 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)OCc2cc(=O)n(C)c(=O)n2C)c1 11295170 UFVPNLIJBRFDMA-UHFFFAOYSA-N 393.421 -0.095 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CC(=O)N1CCOCC1 268721874 KSXVPVKMWMQBGY-CYBMUJFWSA-N 394.453 -0.458 30 20 GBED C#CCN(CC#N)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 281437714 RNLWDJHRUAJMKH-GOSISDBHSA-N 382.420 -0.044 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(S(=O)(=O)CCO)cc1 282366850 QCKYDWWGTNMSQS-GFCCVEGCSA-N 375.472 -0.122 30 20 GBED Cc1c(NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)nnn1C 349475078 LACKIIHVBNLODU-UHFFFAOYSA-N 376.464 -0.569 30 20 GBED Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCC#N 427883024 PPFBVQZVHUOWTE-UHFFFAOYSA-N 380.426 -0.016 30 20 GBED C[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)CN1CCN(C)CC1 557376959 HPTIFBHRYWBYQR-AWEZNQCLSA-N 389.504 0.448 30 20 GBED C=CCOC[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 558571546 NUILUYSHGHQQKT-AWEZNQCLSA-N 381.410 -0.303 30 20 GBED CN(C1CC(O)C1)S(=O)(=O)CCCS(=O)(=O)Nc1ncc(C#N)s1 594636297 OWQOGJYUKBBMCP-UHFFFAOYSA-N 394.500 -0.069 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](CC(N)=O)C1 600677220 BNCTXFVBWDSBBZ-AAEUAGOBSA-N 380.426 -0.672 30 20 GBED NC(=O)[C@H]1CC(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)=NN1c1ccccc1 731861173 NXUXLMVXPOFYPO-DZTQIWHNSA-N 396.407 -0.251 30 20 GBED C#CCNC(=O)C1CCN(CC(=O)c2c(O)nc(=O)n(CC(C)C)c2N)CC1 747820177 LUJJWQGVUZNVOL-UHFFFAOYSA-N 389.456 -0.169 30 20 GBED CN1CCC[C@H]1C(=O)N1CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 755027776 VZZQQJXPUSSODG-HNNXBMFYSA-N 377.470 -0.052 30 20 GBED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](COC)C(N)=O 760075637 HYQHDNWIKKUDOJ-STQMWFEESA-N 396.469 -0.100 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)NCCc2cccs2)CC1 761024828 QCSVOLQFRSQUAV-AWEZNQCLSA-N 384.527 -0.120 30 20 GBED C#C[C@@H](NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)[C@H]1CCCO1 776234329 LAPRCGLLFFUKPA-ZIAGYGMSSA-N 376.413 -0.830 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 783348218 ZNNVBGBMRZPYOG-UHFFFAOYSA-N 377.426 -0.018 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCNC(=O)C2)c1 794518621 UFZXUNOFJDWYBR-UHFFFAOYSA-N 381.410 -0.734 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](C)S(=O)(=O)[C@H](CC)C2)c1=O 808195415 RGSZYAKXSDCJEC-UONOGXRCSA-N 398.485 -0.601 30 20 GBED N#CCN(CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)CC(=O)O 833067710 YZNOGVFVMFYNAW-UHFFFAOYSA-N 383.426 -0.004 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC[S@@](C)=O 848957032 WBJSMOPLGJFBGT-RKFFSXRUSA-N 393.512 -0.124 30 20 GBED C#CCN1CCN(C(=O)CN(CCN2CCOCC2)[C@H]2CCSC2)CC1 878873026 MOTZXUSPEVYMEC-SFHVURJKSA-N 380.558 -0.097 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 895850162 FLFRZXZCQBQPGG-INIZCTEOSA-N 399.517 -0.966 30 20 GBED NC(=O)C1(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 917107934 GNAQMKOQFWBKMW-UHFFFAOYSA-N 394.453 -0.487 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)c3cnnn3CC)C[C@@H]21 960978081 NKXKHVWKJDKARL-SYAUCNOPSA-N 375.429 -0.059 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C1 961661943 SKGWQNBWUMBNRL-IAFLNBNSSA-N 391.468 -0.083 30 20 GBED C[C@@]12CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 993430824 GSHNOKOOKBSBEX-JUIVLLAYSA-N 385.424 -0.160 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CN(C)C1=O 1006479276 UKVLRPSDZMACSC-ZSAUSMIDSA-N 390.440 -0.280 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c(C)ncnc2O)C[C@H]1O 1023942092 LLDQJVKDHDVKEH-JLNYLFASSA-N 376.413 -0.227 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@H]1O 1023942140 MNWKOZONPGWIKG-MKSNKDDYSA-N 389.452 -0.093 30 20 GBED CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1042978652 GEXAJZJKDKJOHC-YIYPIFLZSA-N 388.428 -0.696 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C 1057725914 WOTGXJRCCKHIMB-JONQDZQNSA-N 381.473 -0.371 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@]1(C)CNC(=O)C1 1109545823 OHAMNQCZUUBLQA-MMMWYMCRSA-N 375.473 -0.004 30 20 GBED C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N[C@@H](C)C(=O)N(C)C 1111489930 OHQVYJLACNUTGU-JJXSEGSLSA-N 380.489 -0.107 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 1116084337 JHKCQDIDJSHKPJ-ICFOKQHNSA-N 390.421 -0.223 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)CC1 1117275801 IEDAGOBINFCGMW-UHFFFAOYSA-N 391.472 -0.314 30 20 GBED C#CCN(C(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1)C(C)C 1120396545 PTDKPNCTYYZCGZ-UHFFFAOYSA-N 387.502 -0.244 30 20 GBED N#Cc1cn(CC(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c(=O)nc1O 1157850893 WNJFJUOWAFMCBI-MWLCHTKSSA-N 399.329 -0.310 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 1258289443 WUGYXMDBNZQVCR-HNNXBMFYSA-N 393.465 -0.145 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCC(C(=O)N2CCOCC2)CC1)[C@@H]1CCCO1 1261154659 QAWYSRDUYIUPBH-CVEARBPZSA-N 377.441 -0.619 30 20 GBED COCCOC[C@H](C)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1323157616 KYKGEBBQOSXMJK-AWEZNQCLSA-N 375.429 -0.230 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@]2(CN)C1 1328814336 RBEDXPIRUUKFKS-SIFCLUCFSA-N 397.483 -0.027 30 20 GBED C#CCN1CCC[C@H]1c1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C 1338255124 VZKUHZSCWYNELY-HNNXBMFYSA-N 387.488 -0.242 30 20 GBED C=CCn1c(CO)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1340540863 RKNXQLSLBAMKOB-UHFFFAOYSA-N 386.460 -0.090 30 20 GBED Cc1c(C#N)c(=O)n(CC(=O)NCC(C)(C)N2CCOCC2)c(=O)n1C1CC1 1459218294 MUNHDCFWDJKDCI-UHFFFAOYSA-N 389.456 -0.248 30 20 GBED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCC2)CCO1 1555993490 PEWMMNLDQLJEBP-QWHCGFSZSA-N 381.458 -0.176 30 20 GBED CC(C)N1CCN(C2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)CC1 1567207579 SCSHZNSBCOESIL-UHFFFAOYSA-N 388.472 -0.162 30 20 GBED C#CCNC(=O)[C@H](C)NCC1(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCC1 1573286029 RVCSORWHOCXMGD-LBPRGKRZSA-N 384.444 -0.035 30 20 GBED C[C@H](C(=O)N1CCCC1)N1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1573628905 PCCKPUGJIXEMRG-GFCCVEGCSA-N 382.432 -0.339 30 20 GBED C#CCNC(=O)[C@H](C)N1CCCC2(CN(C(=O)[C@@H](C)OCc3cnn[nH]3)C2)C1 1574985896 ONEQOVSUNLXVOM-LSDHHAIUSA-N 388.472 -0.228 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2cnn[nH]2)nc1 1575071764 BVMZSHWCSXATOE-ACJLOTCBSA-N 388.428 -0.257 30 20 GBED C=CCOCC(=O)N[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@@H]1O 1588675462 FROUBPURPKLEHL-SFYZADRCSA-N 385.837 -0.155 30 20 GBED CN(CC(=O)NCC#N)C[C@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1591038812 WJPGOECYLCXILJ-GFCCVEGCSA-N 385.432 -0.239 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccsc1-c1nn[nH]n1 1593377534 JHMVZAPAAPMYHU-JLHYYAGUSA-N 395.426 -0.267 30 20 GBED C#CCC[C@H](O)CNC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1602703080 LMELLHHRWNFCCZ-LBPRGKRZSA-N 378.414 -0.965 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@H]1[C@@H]2CN(c3nc(C)cc(-c4nn[nH]n4)n3)C[C@H]12 1602724335 CSWNEADADHBCDX-SYQHCUMBSA-N 382.428 -0.198 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1602866864 OSSAREZHWMPWBO-JTQLQIEISA-N 375.389 -0.911 30 20 GBED CN(C)C(=O)CN(CC(F)(F)F)C(=O)Cn1cc(C(=O)O)cc(C#N)c1=O 1605997125 TUKVJJFWSPFFJL-UHFFFAOYSA-N 388.302 -0.103 30 20 GBED CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(=O)NC1CCN(CC#N)CC1 1609275654 XQSZOIDWSYVQNK-UHFFFAOYSA-N 387.452 -0.266 30 20 GBED Cn1ncc2c(=O)n(N=Cc3ccc(S(=O)(=O)NCC(=O)O)cc3)cnc21 1776029495 WTPBLBWAMZDLJY-UHFFFAOYSA-N 390.381 -0.625 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781099948 ZRFWODATRFGKED-RLFYNMQTSA-N 384.546 -0.230 30 20 GBED C[C@H](Oc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567580 SCEROTDSVHGODC-LIRRHRJNSA-N 387.392 -0.233 30 20 GBED CS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)nc1 1795078238 XOPYTNZXCVVUDS-DRXBFXEBSA-N 392.437 -0.398 30 20 GBED COC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1795132823 OKIQONKFIDZHKY-XOIINTDNSA-N 394.472 -0.189 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(=O)OC)CC1 1800553059 FISVCJUCYANDOK-APIJFGDWSA-N 378.425 -0.433 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3cncc13)C2 1800777231 LPAOFQPJYZJWGF-IVWMJMPLSA-N 382.376 -0.375 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)CNC(=N)N)C2)CC1 1809685622 KXKWONNCQDEDNK-PLNGDYQASA-N 390.488 -0.441 30 20 GBED CC(=O)NCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1825245850 APNANQGGWLPMJJ-JTQLQIEISA-N 378.410 -0.331 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1831485258 AHKYTLYLDZLOOO-QIIPPGSGSA-N 399.513 -0.324 30 20 GBED CN1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1832056492 MECQUPXBDILZLK-FXAWDEMLSA-N 375.469 -0.050 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834391339 VPQZZXICGQIGQJ-HNAYVOBHSA-N 390.440 -0.472 30 20 GBED COCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441726 BCGSFLKPTNYYLD-HDAJJNEKSA-N 382.461 -0.439 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)COCCO)CCO3)C2)CCC1 1839195896 OHYJNUZITPMCFG-GOSISDBHSA-N 381.429 -0.854 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839871453 IOVIJDMPRPUNNP-DNVCBOLYSA-N 377.441 -0.618 30 20 GBED CC(=O)C[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840133045 SYDFUMZVFORQEQ-FZKQIMNGSA-N 380.397 -0.854 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1840175641 WKBGTDWVHZYCPQ-PBHICJAKSA-N 386.470 -0.404 30 20 GBED C[C@H](NC=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814939 NGOHRPQQLRRFIX-KSSFIOAISA-N 378.429 -0.729 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O 1848068880 YZVFMBCUSIHTDE-AVGNSLFASA-N 379.417 -0.459 30 20 GBED N#CC1CN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@H]2C#N)C1 349508228 WPEOCUAWOKUGHH-GFCCVEGCSA-N 378.501 -0.568 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](CO)C1 349519042 HLERZQDWKOAYLR-CHWSQXEVSA-N 397.544 -0.709 30 20 GBED CCOC1CN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@H]2C#N)C1 349526794 QAVCUXJVMHTALI-GFCCVEGCSA-N 397.544 -0.302 30 20 GBED CNS(=O)(=O)[C@H]1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 372147896 ARPBLAZBKMHDTR-ZDUSSCGKSA-N 396.473 -0.873 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N(CCO)CCN2CCOCC2)c1 478012514 GCELSWPVXVFRCK-UHFFFAOYSA-N 397.497 -0.082 30 20 GBED CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)NCC(=O)NCC#N)n1 508957656 CISJQCQYVAIJPY-UHFFFAOYSA-N 398.379 -0.257 30 20 GBED C=CCN(C(=O)CNS(=O)(=O)CCOC(C)C)[C@H]1CCS(=O)(=O)C1 530636789 ZMJOKQTVXLATHM-ZDUSSCGKSA-N 382.504 -0.468 30 20 GBED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccnn2CCCOC)c1=O 549549716 XDQMIRDLOJSRMW-UHFFFAOYSA-N 389.481 -0.198 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H]2CCNC2=O)cc1 563425319 ALJQQVRNICIXPC-ZDUSSCGKSA-N 386.455 -0.660 30 20 GBED CN(C)S(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)nc1 570310823 LEYMEGPPNDFUDY-ZDUSSCGKSA-N 387.487 -0.108 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 573268106 ZYENZMHIDIYXDD-LSDHHAIUSA-N 385.424 -0.689 30 20 GBED N#CCN(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 574652299 WYPMNHHWRIBMFS-UHFFFAOYSA-N 398.466 -0.516 30 20 GBED Cc1cc(C)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N[C@H](C#N)CO)c(C)c1 597749954 RJBJBXHDDRYPGP-ILXRZTDVSA-N 381.454 -0.264 30 20 GBED C#CCNC(=O)CN1CCN(C[C@@H](O)COCc2cccc(OC)c2)CC1 728685704 DMMHDBXPTAOGPA-GOSISDBHSA-N 375.469 -0.060 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCC(=O)OC)C2CCOCC2)C1=O 742961168 KUDJZKGISZXOBW-UHFFFAOYSA-N 381.385 -0.466 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1 781527568 DOLBKXSZWWNTAD-UHFFFAOYSA-N 396.513 -0.916 30 20 GBED C[C@H](CC(=O)NCCc1nc(=O)o[nH]1)/N=C1/NS(=O)(=O)c2ccccc21 790073836 XGFVOHXJEYDVFT-SECBINFHSA-N 379.398 -0.461 30 20 GBED Cn1ncc(CCCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 817995728 WQQANKKHINVCMP-UHFFFAOYSA-N 376.442 -0.007 30 20 GBED C#CCNC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 819701789 MWIVMMCGQSLKDF-UHFFFAOYSA-N 389.441 -0.520 30 20 GBED C#CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N=c2nc(C)[nH]n2C)cc1 848941531 SLUSYANWIUNHKC-UHFFFAOYSA-N 383.455 -0.400 30 20 GBED C#CCN1CCC[C@@H](NC(=O)CC(O)CC(=O)N[C@@H]2CCCN(CC#C)C2)C1 923561314 XRIYWYDHQPPDGF-QZTJIDSGSA-N 388.512 -0.445 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)c3nnn(C)n3)C[C@@H]21 960458806 QPAWDBBIFGFXSJ-ZOBORPQBSA-N 376.417 -0.757 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(OC)nc2)C[C@@H]1O 964614021 TXMOUFMFLGXMDP-KBXIAJHMSA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2c(OC)ccnc2O)C1 969095146 MTOGNRSWVARLBU-NDBYEHHHSA-N 377.397 -0.312 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@@]2(C)C1 993457888 KVJZJRLPMSTWRF-CUYVQJCZSA-N 389.456 -0.520 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CNC1=O 1000641028 IAQXVBFMBTXKIQ-MRLBHPIUSA-N 390.440 -0.233 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1CS(=O)(=O)C1 1110592144 POAJATUTWMIZFJ-KFWWJZLASA-N 382.486 -0.485 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 1117586961 NZLZJVHCSIWZSF-ZIAGYGMSSA-N 375.491 -0.681 30 20 GBED Cn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1C1(C#N)CCOCC1 1121262047 WIMKXGAOGZANGD-UHFFFAOYSA-N 389.460 -0.039 30 20 GBED CN1CCN(c2ncccc2CNC(=O)C(=O)NC2CCN(CC#N)CC2)CC1 1322520115 JHUMXEPVYWMEMO-UHFFFAOYSA-N 399.499 -0.446 30 20 GBED CN(C)C(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 1323963506 HPEJWDLLDGLGOY-QGZVFWFLSA-N 383.452 -0.106 30 20 GBED COC[C@@H](CNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1325697131 NNKLXUFHXKIPQA-CHWSQXEVSA-N 376.417 -0.837 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N(C)CCN(C)C2CCN(C)CC2)nn1 1325948034 RDUFAVDUEOLFMA-UHFFFAOYSA-N 377.493 -0.435 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1cc(=O)n2ccccc2n1 1329833584 HSVIXFDYXQZIHP-UHFFFAOYSA-N 378.410 -0.972 30 20 GBED CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 1331642492 POGRHYBQYXUXOM-UHFFFAOYSA-N 397.435 -0.356 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)nn1 1332043843 SAEZKEDPGMCARF-SMDDNHRTSA-N 386.416 -0.876 30 20 GBED C#CC[C@@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC 1334422151 QNUUAVPPWNYUAZ-ZFWWWQNUSA-N 396.465 -0.271 30 20 GBED N#CCCCNC(=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1347654755 JEELUFDNYPNETA-UHFFFAOYSA-N 378.454 -0.042 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2CN(CCc3cnn[nH]3)C2)C1 1575054777 WZNPDRNRXJCWCL-HFTRVMKXSA-N 388.472 -0.270 30 20 GBED C#CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 1588354547 PLKHEMLBCKFOME-AVGNSLFASA-N 382.428 -0.473 30 20 GBED C#CCN(CC(=O)O)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1588399391 JTGINHWUABNETJ-MELADBBJSA-N 384.454 -0.358 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCC(=O)OC)C(=O)O)c1 1588431066 KJLUUTOKPPJUNK-ZDUSSCGKSA-N 382.394 -0.266 30 20 GBED C=CCNC(=O)NC(=O)CNC/C=C/CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588658826 USIDCBDWEISXFP-ONEGZZNKSA-N 387.404 -0.918 30 20 GBED C=CCOCC(=O)N1CCC(N(CCO)c2ccc(-c3nn[nH]n3)nn2)CC1 1602867033 SGLDNNRLXMUALA-UHFFFAOYSA-N 388.432 -0.351 30 20 GBED CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1748267823 OBLFYRZLJHQKQN-LLVKDONJSA-N 383.478 -0.236 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCO[C@H](CN(CC(=O)O)C(C)=O)C1 1776857421 IEDBOKKZRADTLW-TZMCWYRMSA-N 390.462 -0.653 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cncnc1)C2 1782011259 SFHPQHZINGWCFO-DNVCBOLYSA-N 386.408 -0.379 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn(C)n3)[C@H]2C1 1785872384 RDNMTSVOVLGJRM-AJNGGQMLSA-N 375.429 -0.553 30 20 GBED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C=CCN3)C[C@@H]21 1788601569 MQOLXMIJCNCJCY-RNCJVDDHSA-N 389.500 -0.034 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1789292667 CJPPHABGUBXHKB-YXWQFLTLSA-N 390.440 -0.046 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnn1C)C2 1792485948 YAGZKPWWCNCWPU-OLDVJPBNSA-N 387.440 -0.518 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cnc2ccccn12 1792933283 ONLFQWPCRHLDQR-VTEUUUEMSA-N 396.403 -0.446 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(OC)OC 1793166760 AZBBWAPCIDGYAV-AIYSSGPMSA-N 381.429 -0.947 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(F)nc1 1794022736 RGROKXIWALJZMQ-HBCWATKFSA-N 389.383 -0.169 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnn1C 1794228314 OBTXWKBQLCIVCU-NEBZKDRISA-N 377.445 -0.409 30 20 GBED Cn1cncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1794833636 WKOXXRHCPJGXNZ-MIFYACCESA-N 388.472 -0.095 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Cn1cncn1 1797894215 GEFUBKDVGCWICQ-BPKGMFCQSA-N 389.456 -0.458 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2ccnnc2O)[C@H]1c1cccnc1 1811232345 IOBDNACRGNNGEB-SUMWQHHRSA-N 395.375 -0.015 30 20 GBED Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)no1 1832930721 NUPFVCGPOBWQCP-BDJLRTHQSA-N 384.458 -0.305 30 20 GBED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835357276 PCCPEOHNTLBPDY-KBXCAEBGSA-N 380.445 -0.387 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)C1 1835735751 URWQVNWRSBWPTN-BEFAXECRSA-N 394.472 -0.998 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836350778 PDRTYOBCXJBPIV-GUYCJALGSA-N 394.432 -0.324 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837254153 UNMBAIWASAHDBB-RURPWVQCSA-N 377.441 -0.146 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)no1)CCO2 1838101933 OENQIQBZWBSSFI-GOSISDBHSA-N 375.381 -0.136 30 20 GBED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nccn1)CCO2 1839239507 XWVRKECLGVZOHA-LJQANCHMSA-N 389.456 -0.072 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1840169536 KDYUCUYLPHNUDG-DNVCBOLYSA-N 377.441 -0.618 30 20 GBED CSCC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840195896 KPSGRNFMHHVDNY-KDOFPFPSSA-N 397.497 -0.139 30 20 GBED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)CN2CC(=O)NC2=O)C3)c1 1844893719 RRNHPFYXBRLPIH-UHFFFAOYSA-N 381.392 -0.073 30 20 GBED CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 15545119 WDYNNROKHAYMFB-UHFFFAOYSA-N 379.442 -0.290 30 20 GBED N#CCc1ccc(OC[C@@H](O)CN2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 48007654 MJGVALYHELYQLC-KRWDZBQOSA-N 386.452 -0.085 30 20 GBED COCCN(C(=O)CO/N=C(\N)c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 267893754 VOBGVIANNVRXPE-AWEZNQCLSA-N 399.469 -0.006 30 20 GBED C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 276348102 CZAVHHWYNSKCPP-ZDUSSCGKSA-N 397.439 -0.153 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 292299396 KEUIBTHYBRIZAH-BBRMVZONSA-N 375.429 -0.307 30 20 GBED COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 293093706 OBJQXCIVVXVJDJ-UHFFFAOYSA-N 397.395 -0.239 30 20 GBED COCCNC(=O)/C(C#N)=c1/s/c(=C\c2cnn(C(C)(C)C)c2)c(=O)n1C 298866219 OLDFYNYNVOJELL-XKJOODPISA-N 389.481 -0.336 30 20 GBED CS(=O)(=O)N1CCC[C@H](/N=C(/O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1 329231271 KNMPVFBUFKMQCU-MELADBBJSA-N 389.474 -0.227 30 20 GBED CC[C@H](N/C(O)=N/[C@H]1CCc2nc(COC)nn2C1)C(=O)N1CCOCC1 329816813 WGPMGHJCOURBLB-STQMWFEESA-N 380.449 -0.120 30 20 GBED CNS(=O)(=O)NC1CCN(/C(O)=N/C[C@@H](C)CN2CCOCC2)CC1 331240273 PGKRTPCFKQRWET-CYBMUJFWSA-N 377.511 -0.613 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC(=O)N(C2CC2)C1 349443611 AWLJBODLVLXXFP-UHFFFAOYSA-N 384.439 -0.559 30 20 GBED CN1CN(S(=O)(=O)c2ccccc2S(=O)(=O)NC2(C#N)CC2)CC1=O 349457950 SNNJEWKLJROOOO-UHFFFAOYSA-N 384.439 -0.559 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCNC(=O)[C@@H]1C 349472802 QUCHNAVBEBVAFK-QWRGUYRKSA-N 386.455 -0.614 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)C2)CCCCC1 349523868 ORJAJNOAGLUPKI-CYBMUJFWSA-N 379.504 -0.081 30 20 GBED O=C1NCCN1[C@H]1CCCN(CC#CCN2CCC[C@@H](N3CCNC3=O)C2)C1 367054176 IOUJVLLJVRUUAI-HDICACEKSA-N 388.516 -0.031 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O 409510238 LYDLCIGTRANZCZ-CHWSQXEVSA-N 382.508 -0.599 30 20 GBED N#Cc1cccc(CCNC(=O)C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)c1 419707455 LVXNPCVUXOFUFQ-SFHVURJKSA-N 397.479 -0.113 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C1=O 440260192 YHTVSAVUOOQIEF-LBPRGKRZSA-N 380.426 -0.331 30 20 GBED CNC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 468082969 OCOFTZFEHHAYBJ-CYBMUJFWSA-N 396.411 -0.084 30 20 GBED CNC(=O)Cn1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cn1 515930825 IMSRSUSDAWEIBI-UHFFFAOYSA-N 390.425 -0.240 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)n(CCC#N)n1 533317345 DHMJLUJPLSITGR-CQSZACIVSA-N 388.428 -0.107 30 20 GBED C=CCNC(=O)CNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 539696082 GFBPHCPSJYRKLP-UHFFFAOYSA-N 397.453 -0.252 30 20 GBED COc1ccc(C(=O)NCC(=O)NCC#N)cc1S(=O)(=O)N1CCCC1 557724511 XLWNOWRUZBBWNL-UHFFFAOYSA-N 380.426 -0.151 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCc2nncn2C)cc1 569823848 BIOVKULTWXUDHN-NSHDSACASA-N 398.470 -0.126 30 20 GBED C=C[C@H](CO)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 595863953 LHSOXPUCNIIQBH-OAHLLOKOSA-N 378.454 -0.472 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 596750666 XFRVPUSSBQGNOJ-KBPBESRZSA-N 396.473 -0.756 30 20 GBED CNS(=O)(=O)[C@@H]1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1 749793349 QHXPVCPEBJMMOF-OAHLLOKOSA-N 391.453 -0.097 30 20 GBED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@]1(C(=O)O)CCOC1 776681187 VJGPCKDEMVHAGN-INIZCTEOSA-N 381.410 -0.135 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCc2cnn(C)n2)cc1 848930096 NHFVXGYQKGIIAZ-JTQLQIEISA-N 384.443 -0.516 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCC2(C1)OCCO2 848959617 NCQWCNXIXGKVML-LBPRGKRZSA-N 381.476 -0.623 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCN4CCOC[C@@H]4C3)CC2)cc1 867491322 PSKPYBPRRQEVPO-SFHVURJKSA-N 383.452 -0.250 30 20 GBED N#C[C@@H](C(=O)CN1CCN(S(N)(=O)=O)CC1)c1nc(O)c2ccccc2n1 917092161 NFALIWDOUYLSLM-LBPRGKRZSA-N 390.425 -0.667 30 20 GBED CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2ccccc2OCC#N)CC1 920633167 ILYKPHFNXREAPJ-UHFFFAOYSA-N 388.424 -0.022 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)C[C@H]1OC 946818345 FTGYWGWOTOVMOD-DMRZNYOFSA-N 390.440 -0.190 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nnc(O)nc2O)C[C@H]1C 957364313 SDVRYBCSSZXDCX-XZUYRWCXSA-N 377.401 -0.159 30 20 GBED C=CCn1cc(C(=O)NC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2OCC)nn1 983325516 QKVMZAKFWKIUOE-GUIRCDHDSA-N 390.444 -0.821 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2nnc(O)nc2O)[C@@H]1C 988278400 HXCDRJDTCYZGNW-BLFANLJRSA-N 377.401 -0.017 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2NC(=O)NC2=O)c1 1005974571 KPHOEXKWEGHFPS-KBXIAJHMSA-N 381.392 -0.477 30 20 GBED C#CCNC(=O)CC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1065065189 MIWLUFGLOCDRLW-YRBFXIGRSA-N 377.441 -0.715 30 20 GBED CN(CC(=O)N1CCN(c2ccc(C#N)nn2)CC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1096913271 BUBBLYIRTKHXFH-LCEIHVTHSA-N 396.451 -0.121 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1C[C@H](OC)CN1C(C)=O 1110859510 BNGUZLVLROIUTI-BPKGMFCQSA-N 376.457 -0.907 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 1116907704 GCRDUUYIRDRCBG-INIZCTEOSA-N 393.465 -0.250 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)C1=O 1117423457 TZWMAOVUQCOHRP-MCIONIFRSA-N 385.486 -0.296 30 20 GBED C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCC2(CC#N)CC2)CC1 1117685940 XLEHIRNABZMTAE-OAHLLOKOSA-N 375.473 -0.048 30 20 GBED C=CCn1cc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2C)nn1 1118105341 CGGNMJXCNWQAJS-UHFFFAOYSA-N 392.441 -0.064 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)C1 1118252599 CABLTCOKKSYBLH-FQEVSTJZSA-N 396.451 -0.144 30 20 GBED CC(=O)NCC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1261868389 JMBPEURTJCBQNR-RDJZCZTQSA-N 375.473 -0.050 30 20 GBED COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1301732908 XBTFZUIXKRZZFK-KBPBESRZSA-N 377.449 -0.464 30 20 GBED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1 1323809953 RXMGDKWLGGLWJJ-UHFFFAOYSA-N 389.437 -0.430 30 20 GBED C[C@H]1[C@@H](C)N(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC[S@]1=O 1325014006 PCDOPGDDIFQFDL-MWSMCUOVSA-N 389.481 -0.030 30 20 GBED N#Cc1ccc(OC2CN(C(=O)C(=O)N3CC[C@@H](S(N)(=O)=O)C3)C2)cc1 1325093704 BTYKTBAPSIFDHB-CQSZACIVSA-N 378.410 -0.963 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)C1=O 1325094549 WRCJPFULNNTMKG-OAHLLOKOSA-N 391.472 -0.408 30 20 GBED COC(=O)[C@H](O)C1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1 1332874663 DMNUTGHEWNTNTL-MRXNPFEDSA-N 389.408 -0.044 30 20 GBED C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)C1 1333677558 LZQIXRGHIKGDSI-MRXNPFEDSA-N 385.534 -0.002 30 20 GBED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CC1 1335544910 WHZMFPSGBKBXFY-JKSUJKDBSA-N 375.473 -0.096 30 20 GBED Cc1ccc([C@H](CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)N2CCOCC2)o1 1345825565 HUKYSTXHXCFSNK-HNAYVOBHSA-N 390.440 -0.045 30 20 GBED C#Cc1cncc(C(=O)NC[C@@H](CO)N=c2cc(C)[nH]cc2-c2nn[nH]n2)c1 1588380292 ACBJARYNIBRDRW-AWEZNQCLSA-N 378.396 -0.429 30 20 GBED C=CCn1cc(C(=O)N2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)nn1 1588711878 XDCFAQXZMJZNDP-LLVKDONJSA-N 381.404 -0.215 30 20 GBED CN(C)C(=O)CN(CC(F)(F)F)C(=O)Cn1cnc(-c2nn[nH]n2)c1C#N 1591000628 RPETVRYGPBDSGE-UHFFFAOYSA-N 385.310 -0.586 30 20 GBED N#CCNC(=O)CNC[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CCCC1 1592677270 ALRJLHJJPNJHMZ-CQSZACIVSA-N 385.432 -0.287 30 20 GBED CN(CCC(=O)O)S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1598471421 LGNCCJMOAKIHBE-GHMZBOCLSA-N 376.435 -0.014 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCNC(=O)[C@@H]2CC(=O)O)cc1 1601102128 BTGFIQOHMXWSHX-ZDUSSCGKSA-N 379.394 -0.725 30 20 GBED Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1726405942 JUZOAPQFVCDADZ-OAHLLOKOSA-N 394.501 -0.297 30 20 GBED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)c1 1782057398 YFPNSWJOELYUHA-LJQANCHMSA-N 395.423 -0.003 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783683109 NMFKVSWDDKUYTG-XUXIUFHCSA-N 396.444 -0.420 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786799874 BWSLAQZUNWGJEY-QXKUPLGCSA-N 396.488 -0.850 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21 1788576024 HPKKYXLNNXHHMD-UVPYHEFZSA-N 393.484 -0.325 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(C)=O)[C@H]2C1 1790871517 BPIXNSNODJCCBZ-IWCQGFGOSA-N 379.457 -0.469 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)COC)C2 1792484420 GJURGTLEYBYRIF-AXJMOHLESA-N 379.457 -0.283 30 20 GBED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cnnn2)C3)cc1 1792557510 LFEWUNBBWBKBNK-HGKCTWBKSA-N 395.423 -0.623 30 20 GBED C[C@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792559220 PVLKPWLMBPAHMT-KUZCPNRJSA-N 384.436 -0.175 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 1792579353 YOUQAUSLVVUTDU-WVCIDPQESA-N 377.441 -0.860 30 20 GBED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)C2 1793562304 OMBMEPIODFCBSC-DGXTUMSLSA-N 399.513 -0.009 30 20 GBED C[C@H](Oc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800780956 AJILJLDGBNGNIB-FLTUCWPJSA-N 387.392 -0.474 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801732152 MEXXOKPWMCXIKD-WCXIOVBPSA-N 383.489 -0.498 30 20 GBED CC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812879358 DITAOHUDSSLLPW-DWQUBVKVSA-N 386.408 -0.300 30 20 GBED CS(=O)(=O)CCC(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834401568 JWXUESZMBACLMR-UHFFFAOYSA-N 384.502 -0.094 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835392999 MGGRVRUYMXBCQM-LJQANCHMSA-N 394.472 -0.675 30 20 GBED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cnc(O)[nH]3)CC2)CC1 1835966804 MKLYRFKFYQFADH-UHFFFAOYSA-N 389.412 -0.612 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1838741830 DJAIKKUBZRSIOK-GOSISDBHSA-N 386.364 -0.956 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCOC4)C3)C2)c1 1838742013 MGDNXAPGBCAHCF-BEFAXECRSA-N 388.424 -0.007 30 20 GBED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)nn1C 1838833480 XULYIRRHSBJJSF-QGZVFWFLSA-N 377.401 -0.588 30 20 GBED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)n1ccnn1 1839704932 MDSNYTIKZCBWGX-KBXCAEBGSA-N 390.444 -0.155 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840918627 IOCNKAMXKOTNFF-INIZCTEOSA-N 386.474 -0.970 30 20 GBED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841894882 LUSCPMLOMQYJDF-LBPRGKRZSA-N 375.516 -0.762 30 20 GBED Cn1c(N2CCN(CC(=O)N3CCCCCC3)CC2)c(C#N)c(=O)n(C)c1=O 22195461 FBAOLQSMBLOAGO-UHFFFAOYSA-N 388.472 -0.520 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCNC(=O)NC2CCCCC2)C1=O 270645719 LFIUBAWFGZFRJO-UHFFFAOYSA-N 379.417 -0.289 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)ccc1F 281814112 KUYGUURPOFVHMT-JTQLQIEISA-N 384.389 -0.350 30 20 GBED O=S(=O)([C@@H]1CCCN(/C(O)=N/C[C@@H]2COCCO2)C1)N1CCOCC1 329341983 PKDLMYDZWZPKRQ-ZIAGYGMSSA-N 377.463 -0.558 30 20 GBED CCCC/N=C(/O)NC(=O)CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 330740420 AQUVGYGXQPCJKG-CQSZACIVSA-N 390.506 -0.057 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCS(=O)(=O)CC1 364461570 WNUMVYJWGABFQI-GFCCVEGCSA-N 385.467 -0.128 30 20 GBED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 427697815 WFCLPXXULNQTNJ-MNOVXSKESA-N 392.416 -0.153 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 430401278 BPNYQFSYUUZGEB-FUHWJXTLSA-N 392.500 -0.150 30 20 GBED COC(=O)[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCO1 481429964 AIDPSOBMVSNQIQ-FZMZJTMJSA-N 381.410 -0.375 30 20 GBED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)c1 504881696 IYQVBKNPLIMFEI-UHFFFAOYSA-N 382.323 -0.239 30 20 GBED CC1=NNC(=O)[C@@H]1CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 532219091 MKJUDBCACZAZSX-SMDDNHRTSA-N 377.426 -0.147 30 20 GBED CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)O1 589478905 SOOURWUBYIDJHX-UKRRQHHQSA-N 394.453 -0.411 30 20 GBED COCCN(CCC#N)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 610486086 OAJLZIIWEUKPDI-UHFFFAOYSA-N 394.453 -0.191 30 20 GBED COc1ccccc1C(=O)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 619707350 UUUAYQVODSVFLA-AWEZNQCLSA-N 394.453 -0.078 30 20 GBED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC)CC1 670235053 FFYSJVLJJWNIPK-LBPRGKRZSA-N 385.494 -0.074 30 20 GBED N#Cc1ccc(NCCNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)nc1 737097099 LNZHDCDRRUEZTL-UHFFFAOYSA-N 388.409 -0.233 30 20 GBED CCNS(=O)(=O)CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 753129455 YTXALOMMEROKSR-OAHLLOKOSA-N 393.469 -0.102 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CNC(=O)CNC(=O)OC(C)(C)C 775550754 MWHVFVJQTLJVAB-UHFFFAOYSA-N 393.448 -0.105 30 20 GBED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cnn(C)c3N)nc2)CC1 814746530 XSGVMLFYPYIEQY-UHFFFAOYSA-N 378.462 -0.221 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)C(=O)NCC(=O)O 827761103 UKQFCLBNWVQZCP-UWVGGRQHSA-N 383.382 -0.642 30 20 GBED N#Cc1ccc(NCCNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)nc1 916521056 ZSIHWBNPSRFKST-UHFFFAOYSA-N 399.455 -0.159 30 20 GBED N#Cc1nccnc1N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CC2(C1)NC(=O)NC2=O 1055053787 SBRZMGHYQXAYPN-QQSTZASYSA-N 381.396 -0.438 30 20 GBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O 1110074505 XZVHQSQETLBVLN-CRWXNKLISA-N 377.445 -0.707 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCCCCN2C(=O)c3ccccc3C2=O)CCO1 1117358896 DLDAQPFYFRMFGP-CYBMUJFWSA-N 384.392 -0.070 30 20 GBED CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)C1 1118515833 STIHVVUSBXXTAA-LBPRGKRZSA-N 396.494 -0.086 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCOC[C@@H]2CCO)CCN1Cc1ccccc1 1120507325 JPEIIIRPHDQDDT-ZWKOTPCHSA-N 386.452 -0.167 30 20 GBED C=CCn1c(C[S@](C)=O)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1121702636 OUGOKQZMRCXSNG-MHZLTWQESA-N 394.501 -0.386 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 1219991056 CEZWRFMHVHZZIG-OLMMMNRUSA-N 378.473 -0.131 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(CS(C)(=O)=O)cc1 1320017797 RJHGQXRLLPDVTC-UHFFFAOYSA-N 388.467 -0.113 30 20 GBED CC[C@@H](NC(=O)C(=O)NCc1ccc(OCC#N)cc1)C(=O)N1CCOCC1 1322466604 SARIAIYWUZWDOU-MRXNPFEDSA-N 388.424 -0.041 30 20 GBED Cc1cc(NC(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)n(CCC#N)n1 1322805403 QLVTWIWOJQJCOH-ZDUSSCGKSA-N 384.400 -0.301 30 20 GBED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N1CCN(C(=O)C2CC2)CC1 1323361872 HWVGCYJLWMINTN-UHFFFAOYSA-N 383.430 -0.976 30 20 GBED CCn1nc(C)c(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n1 1325945756 CKJIMXPRTGZGJC-UHFFFAOYSA-N 399.459 -0.515 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(c3nc(CC)ns3)CC2)nn1 1326718591 NNLNXGKGOIPQGP-UHFFFAOYSA-N 390.473 -0.157 30 20 GBED C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 1327199159 ACBRUZVCUNJBLO-OAHLLOKOSA-N 376.457 -0.153 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CCC[C@@H](OCCO)C2)CC1 1331286200 QHTZAHHOTGHBEP-MRXNPFEDSA-N 387.440 -0.398 30 20 GBED CC(C)OC[C@H](CO)N(C)C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 1348412301 SRXDSOYLXKUCKA-INIZCTEOSA-N 389.456 -0.154 30 20 GBED C=CCn1cc(C(=O)N[C@@H](C)C2CN([C@H](C)C(=O)NCc3cnn[nH]3)C2)nn1 1575112193 QPEORDDIHFQQNF-NWDGAFQWSA-N 387.448 -0.663 30 20 GBED C#CC[C@H](COC)NC(=O)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 1588330612 BEPUPJGWMXPPRA-CQSZACIVSA-N 398.427 -0.935 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCO[C@@H](CN=c2cc[nH]cc2-c2nn[nH]n2)C1 1588355732 LWFLVFTZARCQRR-KBPBESRZSA-N 385.428 -0.249 30 20 GBED Cc1c(C#N)c(=O)n(Cc2cn3ccccc3c2-c2nn[nH]n2)c(=O)n1CCO 1591799872 SUIDJGBMKOSZFQ-UHFFFAOYSA-N 392.379 -0.337 30 20 GBED N#Cc1nc(=NCCCOCCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cc[nH]1 1592710011 SWSNTIXAGQHLQI-UHFFFAOYSA-N 382.388 -0.473 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC(=O)O)CC1 1593338741 BWCMNHNQZPVGRP-GFCCVEGCSA-N 380.426 -0.546 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(C(=O)O)CCOCC1 1603250578 FKCQRDQXVBJGQP-LLVKDONJSA-N 381.410 -0.025 30 20 GBED C=C[C@H](COC)NC(=O)N1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 1609052564 HQTLUXUEPMEJJR-GFCCVEGCSA-N 375.437 -0.059 30 20 GBED Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)COC(=O)C(C)(C)C#N)CC2)o1 1609445971 FIIILLKTSSLZMX-UHFFFAOYSA-N 388.388 -0.095 30 20 GBED N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCn2ccnn2)CCO1 1620356901 LYOWLKJBEBCPHQ-CQSZACIVSA-N 385.432 -0.189 30 20 GBED N#C[C@@H]1CN(c2nnc(CC3CC3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1770752082 QBONQRNPHBSCPZ-CQSZACIVSA-N 395.485 -0.101 30 20 GBED CO[C@H]1C[C@H](C(=O)O)CN(S(=O)(=O)CCOC2(C#N)CCOCC2)C1 1777158825 FZTJJEIFLBQILD-STQMWFEESA-N 376.431 -0.173 30 20 GBED C=CC[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1783108432 QYDCYUUZXNUFRO-ACJLOTCBSA-N 378.429 -0.420 30 20 GBED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1 1788552213 HDIWILXZSMCVOR-OBJOEFQTSA-N 380.470 -0.239 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1=O)C2 1793348065 YWMRCISNBDVHKY-OAFZBRQQSA-N 391.468 -0.373 30 20 GBED CN(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1795184358 RHZMUYVIYHFVQC-AVHWMUCRSA-N 382.461 -0.333 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)C(=O)C(=O)O)C2 1800228839 VNTFEVYCDMJURG-FQUUOJAGSA-N 396.444 -0.032 30 20 GBED CC(=O)Nc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c1 1800778830 SIABSEQXUFOAQR-CCWDJLKJSA-N 399.403 -0.064 30 20 GBED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O 1801120905 KSKROVFCAZZATK-FLTUCWPJSA-N 375.425 -0.287 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801984765 OVWAVHMVUSWQIH-CRWXNKLISA-N 394.428 -0.666 30 20 GBED C#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 1804179670 KMDBMMAAXFYYOM-MUJYYYPQSA-N 381.498 -0.232 30 20 GBED CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1832297054 IWHOLQOYVVDVOA-CXAGYDPISA-N 387.502 -0.371 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833124478 VWOZCNKPGKRORQ-SUMWQHHRSA-N 380.470 -0.206 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1834760420 MHKUIFMDAMSQBZ-GOSISDBHSA-N 384.396 -0.287 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN(C)C)CCO2)C1 1835381138 COVMOVUOMMWHDH-QFBILLFUSA-N 383.489 -0.014 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3O)C2)C1 1840041047 MSCPVYHKAOURRR-IBGZPJMESA-N 388.376 -0.450 30 20 GBED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 275702189 YSWZWLKJABWCIM-GLQYFDAESA-N 395.437 -0.250 30 20 GBED C=CCN1CC[C@H](N(C)S(=O)(=O)c2cnc3nc(O)nc(O)c3c2)C1=O 281581114 QGJNUQKJJZTXIC-NSHDSACASA-N 379.398 -0.157 30 20 GBED C[C@H](O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 331179334 QYXUTPFQLIDIKA-AWEZNQCLSA-N 380.470 -0.296 30 20 GBED C[C@H]1CC[S@](=O)CCN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N 349463420 VAPQUZOPKBSMCX-SASJJMKUSA-N 399.560 -0.277 30 20 GBED N#CCC1(O)CN(S(=O)(=O)c2ccccc2S(=O)(=O)Nc2nc[nH]n2)C1 349463482 YVXIYFZABYLOCV-UHFFFAOYSA-N 398.426 -0.745 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C1=O 410120145 PBZQSTANFCPMNS-OAHLLOKOSA-N 396.469 -0.106 30 20 GBED COC(=O)[C@]1(NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCOC1 502745873 ZWRFSHMAWVWCPM-KRWDZBQOSA-N 377.401 -0.575 30 20 GBED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@@H](O)COc1ccc(C#N)cc1 514317403 JGZYGVDLDOBRLV-JKSUJKDBSA-N 395.481 -0.077 30 20 GBED CN1CCC(CCO)(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 514862371 HIBSTVJODQJKAD-UHFFFAOYSA-N 380.470 -0.200 30 20 GBED CC(=O)NC[C@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCO1 533433638 PPGRTKODJMWSEJ-HNNXBMFYSA-N 390.444 -0.660 30 20 GBED C=CCNc1nnc(S(=O)(=O)[C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)s1 555468865 FZRCPRAEEGHONK-ZJUUUORDSA-N 387.487 0.022 30 20 GBED COCCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1 569001599 FNDHIEBBGOYXRY-GFCCVEGCSA-N 391.471 -0.494 30 20 GBED COC[C@H](CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)OC 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O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)C(=O)O 739234802 XLHZWWHFHNSPJA-GFCCVEGCSA-N 383.426 -0.153 30 20 GBED C#C[C@H](CC)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 753886366 BULISFGNZFAUHT-HZSPNIEDSA-N 375.429 -0.015 30 20 GBED Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(=O)n(C)c1=O 756896101 ZCDMKBDIKKJHNP-JQWIXIFHSA-N 377.401 -0.427 30 20 GBED CCn1nc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2ccccc21 769800246 UXWNUCURIFIZGD-UHFFFAOYSA-N 390.425 -0.234 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cnc3sc(C)c(C)n3c2=O)CC1 775713111 GBKUSEXQXLTFEM-UHFFFAOYSA-N 387.465 -0.120 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)ccc1F 778851735 DPTLPQCARGOWKG-GFCCVEGCSA-N 396.400 -0.334 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 787759503 OLOIYDCFHPGWAI-CQSZACIVSA-N 389.412 -0.480 30 20 GBED COC(COCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)OC 789913404 QXIMGWAGRIKXLX-LBPRGKRZSA-N 385.442 -0.023 30 20 GBED CC(=NNC1=NC(=O)C(=O)N1)c1ccc(Br)c(S(N)(=O)=O)c1 797401488 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C[C@H]1CN(/C(O)=N/[C@H](C)CCN2CCN(C)CC2)CCN1S(C)(=O)=O 329986654 RZWKMYNKKAMNNF-CABCVRRESA-N 375.539 -0.108 30 20 GBED O=C1C[C@H](/N=C(/O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CN1CCN1CCOCC1 330166484 YCUKAUNQEZPDSZ-KBPBESRZSA-N 390.444 -0.348 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 349473492 IHJHPEGQPIRRIT-QNSTZXKLSA-N 377.488 -0.807 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1C(N)=O 349499653 FQGYGUBPQYGIMP-LLVKDONJSA-N 380.492 -0.780 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CCO1 409486025 QFEZYBMAASAQBV-KURKYZTESA-N 394.497 -0.072 30 20 GBED N#Cc1ccc(CN2CCCN(C(=O)C(=O)N3CCO[C@@H](CN)C3)CC2)cc1 423039141 PXHBLURHNLXJCO-SFHVURJKSA-N 385.468 -0.221 30 20 GBED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCN(CC#N)CC2)s1 469094753 WMTJPURCUQRTHB-UHFFFAOYSA-N 399.498 -0.670 30 20 GBED N#CCNC(=O)CNC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 511917575 WALSOWZMQKGYOP-UHFFFAOYSA-N 382.428 -0.321 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C(=O)NC)cc1 530970667 DKTIASLFOZUQDJ-LLVKDONJSA-N 382.442 -0.318 30 20 GBED COC(=O)[C@H](O)C1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 553102750 FAQNMGQETBYXOU-CYBMUJFWSA-N 391.428 0.221 30 20 GBED CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 568253251 JRBPIYYVZDWYMJ-LLVKDONJSA-N 399.454 -0.863 30 20 GBED CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 582081234 HFMNFJSYNYGBPL-ZIAGYGMSSA-N 378.433 -0.435 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)ncc1C#N 594287165 RBXUQIHUGCZIHS-UHFFFAOYSA-N 380.430 -0.849 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)c1ccccc1S(=O)(=O)NCCO 594633643 ZYRXOZFCAMDFCE-NSHDSACASA-N 391.496 -0.413 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)c1ccccc1NC(=O)Cn1cnnn1 745503197 KQLIMMAYSCYWKW-UHFFFAOYSA-N 387.356 -0.520 30 20 GBED CN1CCN(c2ncc(C=NNC(=S)NCCN3CCOCC3)cn2)CC1 755499633 PXCJIZGLBLPVEX-UHFFFAOYSA-N 392.533 -0.641 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc([N+](=O)[O-])cc1 771898044 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C#CCCS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 810782335 MYRUIMNCYLMCEH-UHFFFAOYSA-N 386.451 -0.369 30 20 GBED N#C[C@H]1CNC[C@H]1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 843458827 AFKFSQCMGDEKTK-GXTWGEPZSA-N 394.453 -0.256 30 20 GBED Cc1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)cc1S(=O)(=O)N1CCOCC1 843463829 YFFZTWMADJSGJR-HUUCEWRRSA-N 378.454 -0.143 30 20 GBED C[C@H](O)CN1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1 867802253 ODRRQJWZHILCJE-INIZCTEOSA-N 385.468 -0.268 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCCN(CC(=O)N(CC)CC)CC1 875601014 WURCJURRIWZSDU-KRWDZBQOSA-N 394.516 -0.066 30 20 GBED CN(C)C(=O)CN1CCN(C(=O)COC(=O)COc2ccccc2C#N)CC1 917223867 TXHFJBJJAYWWAJ-UHFFFAOYSA-N 388.424 -0.287 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](OC)C1 944642710 ULFBTZVZOSOWDW-SHFYGJNESA-N 390.440 -0.283 30 20 GBED NC(=O)[C@@H]1CC[C@H](CCC(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)C#CC2CC2)O1 960365815 VXQUHRHLBJZGPE-LTIDMASMSA-N 389.452 -0.349 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2ncn(C)c2=O)cn1 1004749779 YVSJLKIXWVIJJP-OAGGEKHMSA-N 380.408 -0.480 30 20 GBED CS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)o1 1111081413 UMGBEEHEJQYYJM-UTUOFQBUSA-N 380.426 -0.342 30 20 GBED C#CCNC(=O)CN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1130405822 PKVXWZNTYNIFTR-DLHZGZTKSA-N 397.479 -0.012 30 20 GBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 1219822931 YQECFGZSHCBYDW-BDXSIMOUSA-N 377.485 -0.021 30 20 GBED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)CC1 1327087460 GUFLDEJCQYQGRU-BEFAXECRSA-N 375.473 -0.096 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H]1CCc2c[nH]nc2C1 1328863778 FCIPRHIETTZTEZ-JSGCOSHPSA-N 394.439 -0.218 30 20 GBED COc1ccnc(N2CCN(C(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)c1 1329273680 NZKJBXYNXQKTPW-INIZCTEOSA-N 398.467 -0.062 30 20 GBED CN1CCN(Cc2cccc(CNS(=O)(=O)N3CCO[C@H](C#N)C3)c2)CC1 1339912908 FPOAGWYKZPCOOY-GOSISDBHSA-N 393.513 -0.007 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCCN(CC(F)F)CC1 1342097115 KGXWNIDMUYMBSW-CCEZHUSRSA-N 399.398 -0.572 30 20 GBED C=C(C)Cn1c(C2=NO[C@H](CO)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1343657349 FMILYFMGFYTECF-AWEZNQCLSA-N 391.476 -0.450 30 20 GBED CN(C[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1)S(C)(=O)=O 1346591156 LWOHMOOYAHFRPE-ZDUSSCGKSA-N 396.473 -0.135 30 20 GBED COCCN(CCOC)C1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1467848372 WWRZPEBMWZVDLL-UHFFFAOYSA-N 393.444 -0.594 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3snc(C)c3-c3nn[nH]n3)C[C@@H]2O)nc1 1573290692 OEDOCOQGYIHILN-OLZOCXBDSA-N 396.436 -0.013 30 20 GBED N#CCSCC(=O)N1CCC[C@H](NC(=O)CC(=O)NCc2cnn[nH]2)C1 1577710370 ZHSDZHYIPMACEW-NSHDSACASA-N 379.446 -0.825 30 20 GBED N#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)C[C@@H]32)[nH]1 1581869088 IGESVRUVVSCMKP-MSRIBSCDSA-N 377.368 -0.105 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[nH]n2)nn1 1588436960 WNERCVOXFIYANH-HUBLWGQQSA-N 388.432 -0.131 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@]1(CC(=O)O)CCOC1 1604356284 JERZRZFGZDZYLA-MEDUHNTESA-N 381.410 -0.025 30 20 GBED C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CC(=O)N1CCOCC1 1722862086 UMNBEBHIHIRBSL-CQSZACIVSA-N 389.460 -0.031 30 20 GBED CNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1729723227 YZFQNCVPOYUQSE-XHDPSFHLSA-N 384.437 -0.242 30 20 GBED CC[S@](=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1779224442 KMGMMPFLGMBQNB-PJGWDPASSA-N 398.481 -0.253 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CC13CCCN1CCC3)CCO2 1783565217 IANVPMOGPMLUGZ-FQEVSTJZSA-N 389.452 -0.077 30 20 GBED CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)S)C[C@@H]21 1788565921 RYZDUDVLPLAVHM-PEDHHIEDSA-N 386.518 -0.008 30 20 GBED CN(C)C(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1 1792136624 DGPYKXLPXCZVQG-KKUMJFAQSA-N 391.472 -0.069 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1O)C2 1793340468 IJMLZKLTQRDGOM-ZJOBFFGXSA-N 389.408 -0.673 30 20 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C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1840159670 JXOVBHYOYTWDCM-GTNSWQLSSA-N 397.453 -0.119 30 20 GBED C[C@H](CC(N)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812275 IHEQUDSOUGGCOK-KUHUBIRLSA-N 392.456 -0.352 30 20 GBED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)Cn4cnnn4)C3)c2c1 1843084733 PPAOCABOXCGAAJ-UHFFFAOYSA-N 391.395 -0.062 30 20 GBED O=C1NC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=N/O[C@H]2CCCCO2)O1 1847848960 OBFSLHRQFSREST-QVUKBONHSA-N 380.401 -0.174 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1=O 10855854 UDEYGJRSIXXIQX-UHFFFAOYSA-N 376.394 -0.056 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1nc2ccccn2c1=O 160765197 ARDYZUOINIAVLR-ZDUSSCGKSA-N 378.396 -0.105 30 20 GBED O=C(C#Cc1ccc2c(c1)OCO2)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 268653433 RZOGKWAMUQHZLR-UHFFFAOYSA-N 399.403 -0.704 30 20 GBED COC(=O)[C@@]1(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCOC1 268848419 FGXUTYDGLIKYKD-MEDUHNTESA-N 381.410 -0.327 30 20 GBED COC(=O)C1(O)CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 271307591 VYVKKQFUGGUMQX-GFCCVEGCSA-N 395.437 -0.248 30 20 GBED N#C[C@@H]1CSCCN1C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 271773264 XXVIJQJFHYDOHG-CYBMUJFWSA-N 394.478 -0.112 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](C(N)=O)O[C@H](C)C1 273318513 NTRFTIUULBWMNQ-ABAIWWIYSA-N 390.396 -0.377 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)C1=O 287067838 NXITYZALOXRMBR-ILXRZTDVSA-N 378.473 -0.005 30 20 GBED C=CCn1c(=O)/c(=C/c2ccnc(OC)n2)s/c1=C(\C#N)C(=O)NCCC 297435622 FVWWSENXKKNEAW-OOERXGCTSA-N 385.449 -0.076 30 20 GBED CN1CCOC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 328943026 IRAAMPDQQDXURV-HNNXBMFYSA-N 378.454 -0.278 30 20 GBED CN(CC(=O)N1CCOCC1)/C(O)=N/CCS(=O)(=O)N1CCSCC1 329475301 OZXBAQGQVXVYGM-UHFFFAOYSA-N 394.519 -0.930 30 20 GBED CN1C(=O)CO[C@@H](/C(O)=N/[C@@H]2CCCN(S(C)(=O)=O)C2)[C@@H]1c1cnn(C)c1 329894175 BFTYQFAYIAMUPN-VHDGCEQUSA-N 399.473 -0.301 30 20 GBED N#C[C@@]1(F)CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2nc[nH]n2)C1 348465895 HFWQXFZJZQEDQR-NSHDSACASA-N 380.427 -0.406 30 20 GBED CC1(O)CN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CCCCC2)C1 349461022 JBZCXGJNHGRHBE-UHFFFAOYSA-N 379.504 -0.081 30 20 GBED CC(C)[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)CCN1C 349474474 JRUZZFGHKJSZNA-CQSZACIVSA-N 392.547 -0.046 30 20 GBED CN1CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)CC1 349535358 JPVKOZLKITZTPL-UHFFFAOYSA-N 380.536 -0.092 30 20 GBED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCCN(C)CC1 349536333 KVLSMIYWMRMKSL-AWEZNQCLSA-N 380.536 -0.189 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 349632209 YWCHVVNKJPETRP-LXTVHRRPSA-N 391.515 -0.009 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCC(F)(F)CN)C2=O)cc1 418902810 HIYJRJWSNSAYRU-CYBMUJFWSA-N 379.367 -0.120 30 20 GBED CCOc1ccc(C#N)cc1NC(=O)C(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 446514115 IZUDIWZHOASPNZ-CYBMUJFWSA-N 395.437 -0.097 30 20 GBED CN1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 498848895 FSXBSNWRSUXLRI-HZPDHXFCSA-N 397.435 -0.093 30 20 GBED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCCN2CCOCC2)n1 516517672 XQNZFXUCEVSKRU-UHFFFAOYSA-N 383.412 -0.084 30 20 GBED C=C(C)COCCNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 551435568 NVYGSZIHAWDYGF-UHFFFAOYSA-N 376.413 -0.109 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO)CC1 553329211 AGAPPSRDDQJPIC-ZDUSSCGKSA-N 381.395 -0.113 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC(=O)N[C@@H]4CCCC[C@@H]43)CC2)nc1 590981620 ZJMQCWQSVABCKR-CVEARBPZSA-N 396.451 -0.129 30 20 GBED COc1cc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)c(F)cc1C#N 599972295 WBZAAXNNIQHXIQ-LBPRGKRZSA-N 378.360 -0.256 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)CC1 601496779 VVDXDNIZSKEOPW-KRWDZBQOSA-N 377.489 -0.385 30 20 GBED Cn1c(N)c(C=NNc2oc(C(C)(C)C)nc2-c2nn[nH]n2)c(=O)n(C)c1=O 822601055 SUJNAOOUXHATKU-UHFFFAOYSA-N 388.392 -0.422 30 20 GBED CNC(=O)[C@H](O)CNS(=O)(=O)c1cc(Br)c(C#N)cc1F 831270174 OMHDFHMOBZYOAZ-SECBINFHSA-N 380.195 -0.155 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)NC(=O)C(F)(F)F)CC1 831574694 MUVTYIZKMRAPRW-UHFFFAOYSA-N 384.380 -0.945 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@](C)(C(=O)OC)C2)c1=O 840183604 GCMFRESYMCMPDO-SFHVURJKSA-N 378.429 -0.224 30 20 GBED N#Cc1ccc(N2CCN(C(=O)[C@H](CO)NC(=O)c3cccc(F)n3)CC2)cn1 846045051 VLBDETRYKISUFJ-INIZCTEOSA-N 398.398 -0.073 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cccc(C)c2=O)C1 1023711476 ZXASQHDBZXOCFW-FPCVCCKLSA-N 375.425 -0.564 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)NC 1110631600 FMAAZKLEMDYEQT-LOWDOPEQSA-N 380.449 -0.963 30 20 GBED CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(OCC#N)cc1 1116713366 YAIUGSKDMNHTTE-HNNXBMFYSA-N 376.413 -0.321 30 20 GBED C=CCNC(=O)NC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1191431560 RSDXQBOAKNFJQB-UZVBGSJOSA-N 376.457 -0.046 30 20 GBED CCOC(=O)C[C@H]1CCCN1C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1326598276 XAYKTYIJHKMYNQ-KXEGMRRWSA-N 392.412 -0.427 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCC2(C1)OCCO2 1329219583 IVIRMMWWYMENQS-LBPRGKRZSA-N 381.476 -0.623 30 20 GBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1332671873 FQJOGFUZUDKVKD-FGTMMUONSA-N 386.452 -0.169 30 20 GBED CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCCN(c3ccccc3C#N)CC2)CCO1 1348162449 BPXCOJMKQFWHLV-KRWDZBQOSA-N 399.451 -0.430 30 20 GBED C[C@@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C2)CC1 1573569828 FVRBECXOHFYQSP-QWHCGFSZSA-N 382.432 -0.461 30 20 GBED C#CCNC(=O)C1CCN(c2nnc([C@H]3C[C@@H](N)C3)n2CC(=O)N(C)C)CC1 1574707564 WCGCFYVJTKZGKV-GASCZTMLSA-N 387.488 -0.463 30 20 GBED C#CCNC(=O)CC(=O)N1CCC[C@H](NC(=O)CCOCc2cnn[nH]2)CC1 1575004681 IVARFNYMRJALMZ-AWEZNQCLSA-N 390.444 -0.652 30 20 GBED C#Cc1ccc(C(=O)NC[C@H]2CCCN(CC(=O)NCc3cnn[nH]3)C2)nc1 1575022969 WUTQKTJVCDSBAG-OAHLLOKOSA-N 381.440 -0.061 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@]12CCC[C@H]1CN(CC(=O)NCc1cnn[nH]1)C2 1575075626 UQBVVTHQGBULAH-VHSSKADRSA-N 376.461 -0.281 30 20 GBED C#CCOCCC(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 1588362291 YXMUGYVNVZQPFL-KRWDZBQOSA-N 386.416 -0.592 30 20 GBED C#CCN(CC(=O)O)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1588416932 XCNYKBWHCACPGX-UHFFFAOYSA-N 387.801 -0.736 30 20 GBED C=CCC[C@@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1588578056 UWBRPFKDSHFFPZ-YPMHNXCESA-N 394.457 -0.023 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C2)nn1 1588621332 ZZVVNMKBNRXRQC-LLVKDONJSA-N 381.404 -0.167 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2n[nH]c(C3CC3)c2-c2nn[nH]n2)C1=O 1602863200 ROFRZHWJVNVJQP-UHFFFAOYSA-N 385.344 -0.618 30 20 GBED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCNC3=O)CCO2 1783904168 QYRJSSJGSXTOHV-FQEVSTJZSA-N 399.451 -0.127 30 20 GBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)nn3)[C@H]2C1 1790592477 SAZCPJQGFKUVCL-KKUMJFAQSA-N 388.424 -0.046 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1c(=O)n(C)c2ccccc21 1797172040 UBEGZOQTIWJFPU-HBCWATKFSA-N 382.420 -0.437 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)N1CCOCC1 1798486083 ZZTAGKBVZLVASB-XLKGFZLASA-N 381.473 -0.134 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1813039080 FDZANXDHDUSKIX-ATVPRXPUSA-N 393.513 -0.002 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC(=O)NC)CCO2 1831263635 FEHJXBOYOFIPEX-KRWDZBQOSA-N 385.486 -0.502 30 20 GBED C#CC(=O)N1CCC(N2CCC(NC(=O)c3cccnc3C(N)=O)CC2)CC1 1833920808 GOANPYMLPWLOOM-UHFFFAOYSA-N 383.452 -0.001 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1834760426 MKHAZQAKRZFAPD-QFBILLFUSA-N 387.440 -0.679 30 20 GBED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)Cn3ccnn3)CC2)CC1 1837981778 VKCLEZMSXBHLKG-UHFFFAOYSA-N 389.412 -0.635 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc[n+]([O-])cc4)CCO3)C2)CC1 1838333399 AGWBJUPXNGGJKB-IBGZPJMESA-N 386.408 -0.306 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nnc(C)s3)C2)C1 1839806807 DJBFFGBOBNEBOW-KRWDZBQOSA-N 378.454 -0.131 30 20 GBED O=C1C[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CCN1 1840227495 SQIHUMSVUQCKMT-OXJNMPFZSA-N 389.452 -0.618 30 20 GBED N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)n1 14144283 RSOPWXXNGJFOSP-UHFFFAOYSA-N 378.389 -0.178 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 292222943 AEIJOMROJWCULB-JYJNAYRXSA-N 379.457 -0.066 30 20 GBED O=S(=O)(N1CCOCC1)N1CCN(/C(O)=N/Cc2nccs2)CC1 328842358 VVWRCATWHXQYQN-UHFFFAOYSA-N 375.476 -0.248 30 20 GBED C[C@H]1[C@@H](C)N(C)CCN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N 349466908 RLYVYCIFSXUQDE-MCIONIFRSA-N 380.536 -0.096 30 20 GBED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CN(C)C[C@@H]2C1 349496707 PYDZDISTDSIMOQ-QLFBSQMISA-N 392.547 -0.333 30 20 GBED N#Cc1cccc(NS(=O)(=O)CCCCS(=O)(=O)N2CC[C@H](O)C2)n1 349593761 SXVPMOKWUZAOMG-ZDUSSCGKSA-N 388.471 -0.128 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3C[C@@H](O)[C@@H](CO)C3)C2)c(F)c1 422305753 BZIKMBQFXAMWTR-JKIFEVAISA-N 390.415 -0.406 30 20 GBED C[C@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 435201315 GAPFQVIEICONSE-ZMZPIMSZSA-N 387.371 0.478 30 20 GBED C=CCOC[C@@H](NC(=O)c1cc(OC)c(S(N)(=O)=O)s1)C(=O)OC 435932646 ALGKFAMRNLQBNW-MRVPVSSYSA-N 378.428 -0.122 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)c2cn(CCO)c(=O)nc2O)CC1 497637119 HUPAYFYTXQKVSO-UHFFFAOYSA-N 387.371 -0.086 30 20 GBED C=CCN(C(=O)CNS(=O)(=O)c1cn(C)c(C)n1)[C@H]1CCS(=O)(=O)C1 524201941 WGYFBZZWDQWFAW-LBPRGKRZSA-N 390.487 -0.791 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](N3CCN(CC)CC3)C2)CC1 557732095 UUJYXHUJNSZPLZ-GOSISDBHSA-N 377.533 -0.009 30 20 GBED COC[C@H]1CN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)C[C@@H](C)O1 563168223 KBNIGCNHGDKGDE-GDBMZVCRSA-N 387.440 -0.136 30 20 GBED COc1ccc(NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)nn1 576868646 VFQDNDODAQWDSZ-UHFFFAOYSA-N 387.425 0.409 30 20 GBED CC(C)(C)n1nnc(C(=O)NCC#CCNC(=O)c2nnn(C(C)(C)C)n2)n1 613394660 HEOHHUCKNMSIBA-UHFFFAOYSA-N 388.436 -0.667 30 20 GBED N#Cc1ccc(N2CCC(NS(=O)(=O)N3CCO[C@H](C#N)C3)CC2)nc1 619709228 FDTKFPXXWXLKEA-OAHLLOKOSA-N 376.442 -0.019 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCC(=O)N2CCOCC2)C1 758664167 XZHSSDIHPQHRPO-OLZOCXBDSA-N 381.433 -0.097 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)CC1 793463095 AOKMFUUBRWVQLL-MRXNPFEDSA-N 389.477 -0.159 30 20 GBED C/N=C(/NCCN1CCOCC1)NCc1cccc(S(=O)(=O)N(C)C)c1 849078897 JQGRSQYBQHRMAG-UHFFFAOYSA-N 383.518 -0.066 30 20 GBED COC(=O)c1c[nH]nc1S(=O)(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 912560537 PAKXMLHNYDZRAZ-UHFFFAOYSA-N 381.374 -0.572 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn3c(n2)COCC3)C1 968433403 LWWHICRQKZKYKM-UXOAXIEHSA-N 376.413 -0.694 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1c1cncn1C 993617652 UIIFWQBNRZVQSU-NCZKRNLISA-N 385.428 -0.146 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C(=O)NC(C)C)nn2)C[C@H]1O 1041350619 RRUDEPFAIFYNOL-MIGQKNRLSA-N 389.456 -0.128 30 20 GBED COCC#CCN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H]2CS(=O)(=O)C[C@@H]21 1108483365 DLYVDNSWFCXVKG-UUAJXVIYSA-N 382.482 -0.487 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 1255280931 QNNWZVICHILVQS-UHFFFAOYSA-N 392.387 -0.345 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCc1nnc2n1CCC2 1321631635 DWXNRXWRRSNMES-LBPRGKRZSA-N 395.427 -0.761 30 20 GBED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCS(C)(=O)=O 1322314227 BTFINLAWCILULV-UHFFFAOYSA-N 394.497 -0.001 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)CC2)nc1 1324794953 NWDFOEBZJKZENW-CQSZACIVSA-N 382.424 -0.519 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2Cc2cccc(F)c2F)CC1 1352446708 AVZKCLUGBYAYGC-UHFFFAOYSA-N 397.411 -0.411 30 20 GBED C=CCn1cc(C(=O)N[C@@]2(C)CCN(C(=O)[C@@H](C)OCc3cnn[nH]3)C2)nn1 1575112133 PLBJMWQJHOZVNR-PXAZEXFGSA-N 388.432 -0.092 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[nH]n4)n3)C[C@H]2O)c1 1588380355 CEOCVHWDLWJHJM-UKRRQHHQSA-N 391.395 -0.597 30 20 GBED C=C(C)[C@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@H]1O)OCC 1588401725 XKRDKTWGRYOUBL-UPJWGTAASA-N 388.432 -0.306 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@H](O)CNCc1ccc(F)c(-c2nn[nH]n2)c1 1588503846 GRINTLCRNYHSGL-SJKOYZFVSA-N 378.408 -0.100 30 20 GBED CN(C[C@H](O)CN(C)c1cncc(-c2nn[nH]n2)n1)C(=O)CSCC#N 1591046073 AVYWIUUXIOOZJS-SNVBAGLBSA-N 377.434 -0.831 30 20 GBED C=CCn1cccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1602884063 SHYCVHDXVUYOME-UKRRQHHQSA-N 396.411 -0.202 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)c1=O 1605915531 RCCFFGZIVKGMOP-OAHLLOKOSA-N 382.376 -0.060 30 20 GBED C#C[C@@H]1COCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1609020276 WXXJQWGATBLXBT-WCQYABFASA-N 390.425 -0.606 30 20 GBED CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CC#N 1697019449 NGCGDJLDXRSEBB-LBPRGKRZSA-N 383.478 -0.198 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1 1778002617 AMBOTRDWINFTFC-BASYENTBSA-N 383.493 -0.413 30 20 GBED O=C1CC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)N1 1779137520 QJQWNBOCFYZQSU-CBKPSKEASA-N 388.424 -0.193 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(CO)on3)C2)C1 1780391057 ALSXGXMIMYJUAZ-UGSOOPFHSA-N 377.397 -0.351 30 20 GBED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(C)(=O)=O)C2 1782181637 YCNSESHFVIODIZ-LALPHHSUSA-N 378.516 -0.137 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784455466 WWNAPWSBOCMJJN-BEFAXECRSA-N 388.424 -0.276 30 20 GBED CN(CC(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1)C(=O)C(=O)O 1785369806 RZHVLYUXDWHVDD-GOSISDBHSA-N 392.412 -0.947 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1786568762 DJVLXTMVWHINNI-QXKUPLGCSA-N 377.441 -0.717 30 20 GBED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCN(C)CC1)C2 1793573245 RQCOQWSJTKQZKK-ZJPYXAASSA-N 376.501 -0.090 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(C)=O)[nH]n1 1794557475 WRKOEWDFOWPCGH-ZJOBFFGXSA-N 388.424 -0.146 30 20 GBED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1795732363 XDUNSRHJIKZQOJ-FVCICTRLSA-N 398.423 -0.576 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccn2n1 1796098281 NBMXYJBQDZUOQV-MPTYRVRUSA-N 397.435 -0.029 30 20 GBED CN1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)C1 1797743234 WWSRXOBRVQZVJM-RVEJDWRBSA-N 377.489 -0.391 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2 1799397434 PJDCFESEMXIUQF-AQDIXCGQSA-N 380.445 -0.487 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 1801067058 PTIFYWWWXXCGSF-SVZOTFJBSA-N 379.457 -0.307 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1830054554 SZQANGLEOVDSRV-FZKQIMNGSA-N 378.429 -0.729 30 20 GBED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1831174456 ADAYYOQTHOQIRR-MGPUTAFESA-N 391.468 -0.229 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc[nH]3)C2)C1 1831391220 KKGCDTSUKDCOID-RDTXWAMCSA-N 376.413 -0.482 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1834765947 NQVWJYHNYXGRIF-IBGZPJMESA-N 398.423 -0.358 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)n1)CCO2 1837910383 ORQALFJGJXABGG-SFHVURJKSA-N 391.355 -0.621 30 20 GBED C[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840025173 YNAJAOFOODECGM-OXQOHEQNSA-N 394.468 -0.478 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1840160275 CWERQFRUDLLPJY-MGPLVRAMSA-N 398.441 -0.724 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1840173600 HKLGWRNRUPYZLO-KBXCAEBGSA-N 382.461 -0.274 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](COC(C)=O)OC(C)=O)C1 1844284491 ANYKKWORGNLCRM-XJKSGUPXSA-N 394.424 -0.277 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 266435187 JSIWOPKJGOJPRK-KRWDZBQOSA-N 399.451 -0.663 30 20 GBED COc1cc(OC)c(CNC(=O)CO/N=C(\N)CN2CCOCC2)c(OC)c1 268570567 JYAWQWJPQHXPOO-UHFFFAOYSA-N 396.444 -0.050 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCN(C[C@H](C)O)C[C@H]1C)c1cc[nH]n1 281602570 OAODGPRDPMULFQ-LEKQOHNYSA-N 381.433 -0.393 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CC[S@@](=O)C[C@@H]1c1cnn(C)c1 282247448 IUTZCKMYODILGT-JBEBIEQOSA-N 389.503 -0.368 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCn1cc(CO)nn1 290556957 JTPCHSIMQJTGBN-LBPRGKRZSA-N 392.441 -0.485 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)NCCNS(=O)(=O)CC)ccc1F 299031318 ZJOZSFJFYBPYQF-UHFFFAOYSA-N 393.462 -0.041 30 20 GBED CC1(O)CN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@@H]2C#N)C1 349468912 WCLFOMSLBVVJQI-NSHDSACASA-N 383.517 -0.956 30 20 GBED C[C@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N 349481264 OEWOCYXOEMSXQC-UNHDLIQDSA-N 399.560 -0.279 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H](C)N(C)[C@H](C)C1 349509288 NTTBWXWVFAMPDS-MJBXVCDLSA-N 380.536 -0.048 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCCCN1CCN(CCO)CC1 410148260 QBQRACOWKOHAFC-INIZCTEOSA-N 375.539 -0.308 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](CN)C3CCCC3)CC2)c1C#N 420057978 DJZBIQMDPJKPGL-MRXNPFEDSA-N 387.488 -0.118 30 20 GBED C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 453936470 NDVOLKZRODZYNK-HIFRSBDPSA-N 379.438 -0.057 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCS(=O)(=O)CC2)CCN1Cc1ccccc1 512143146 QFIDYJOPYOYVKT-INIZCTEOSA-N 398.510 -0.328 30 20 GBED Cn1c(=O)c2ccn(CC(=O)NCC(=O)c3ccc(C#N)cc3)c2n(C)c1=O 552655822 GFSUGSBIWZHDDN-UHFFFAOYSA-N 379.376 -0.091 30 20 GBED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)NCCn1cnc(C#N)n1 565736681 HMMNFUGWXWGZIP-GFCCVEGCSA-N 384.466 -0.890 30 20 GBED CO[C@]1(CNS(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)CCOC1 575762167 JNVFBWIIQLUWCT-AWEZNQCLSA-N 389.455 -0.428 30 20 GBED N#C[C@H](C(=O)[C@@H]1Cc2ccccc2C(=O)O1)C(=O)N1CCS(=O)(=O)CC1 732909684 FKJHKSBWFIDJFC-KGLIPLIRSA-N 376.390 -0.266 30 20 GBED NS(=O)(=O)CCCOC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 735961428 RPAKALFSPOLHBY-UHFFFAOYSA-N 389.455 -0.273 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](C3OCCO3)C2)c1=O 738148176 IPKWZRIQAXNQBC-AWEZNQCLSA-N 378.429 -0.414 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](c2nn[nH]n2)C1 750809305 SHOXMXWMKIRINI-JTQLQIEISA-N 375.414 -0.356 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCNS(C)(=O)=O)C1 758325036 MOMKIGHKLDCWEG-WDEREUQCSA-N 375.451 -0.406 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 773190394 RAXNZGMVMYMAFR-NEPJUHHUSA-N 375.447 -0.010 30 20 GBED N#C[C@H](C(=O)CN1CCc2ccccc2C1=O)C(=O)N1CCS(=O)(=O)CC1 789424105 ADNVHMOXUSRTHC-OAHLLOKOSA-N 389.433 -0.349 30 20 GBED C#CCC[C@@H](O)CNc1ccc(S(=O)(=O)N(C)C)cc1S(N)(=O)=O 804686159 GXFDFTWIBXRHSP-LLVKDONJSA-N 375.472 -0.230 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCN(C)C)CC(=O)O 818053529 QFPSEPVFJKLPAV-LBPRGKRZSA-N 382.442 -0.300 30 20 GBED N#Cc1ccc(S(=O)(=O)N(CC(=O)NCC(=O)O)C[C@H]2CCCO2)cc1 821336087 JYVHKHAJKNKFKO-CYBMUJFWSA-N 381.410 -0.071 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](CC(=O)O)C1 827754958 ODCBDLVPUXPKJP-AAEUAGOBSA-N 381.410 -0.073 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](N2CCOC2=O)C1 852903776 BFOMKMIQRVEKHA-GFCCVEGCSA-N 394.475 -0.982 30 20 GBED C#CCCN(CCOC)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 856386359 YQLNDHNUEYQNAO-UHFFFAOYSA-N 393.465 -0.081 30 20 GBED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CN2CC(=O)N(C)C2=O)c1 875252975 HLAARLAHZYFHIJ-UHFFFAOYSA-N 398.419 -0.246 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(OCC(=O)OC)cc2)CC1 895924002 YVIIFONEZYQPPL-UHFFFAOYSA-N 381.454 -0.176 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@H](C)C(=O)N(C)C)c1 918956781 MIJCGHAEVQPBHZ-GFCCVEGCSA-N 397.453 -0.099 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2C)nn1 950712087 DWSYOWCDZSQWKZ-IXYNUQLISA-N 376.461 -0.240 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1004419204 NMVNSDGGLOZMRI-JONQDZQNSA-N 379.457 -0.035 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)n2nccc2[nH]1 1109171399 QEOIAHXNGWMUPT-ILXRZTDVSA-N 382.424 -0.616 30 20 GBED COCC(=O)NC1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 1323130095 XRHICIFEZNQPBF-UHFFFAOYSA-N 388.428 -0.765 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)nn1 1325946616 HQOSJIBXBRUQNQ-ZDUSSCGKSA-N 378.433 -0.824 30 20 GBED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[C@@](O)(CC#N)C1 1326358293 IRJGHICAVFDHSS-INIZCTEOSA-N 382.442 -0.463 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCC[C@H](N(C)C)C1 1328533344 PMJFGZAWPWHZNI-GJZGRUSLSA-N 385.472 -0.062 30 20 GBED O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@H](N1CCNCC1)C(F)(F)F 1328593724 NIMFEWQCXJFMAD-VCHHOEMESA-N 389.378 -0.145 30 20 GBED CO[C@@]1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CCOC1 1554725371 YKQXGJIJKLAYBP-RDTXWAMCSA-N 390.444 -0.065 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](CO)Cc1cnn(C)c1 1557093690 RJBWGTNGUNOVPN-SWLSCSKDSA-N 391.453 -0.322 30 20 GBED C#CCN(Cc1cnn[nH]1)C(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1574928373 KXBVOXJVGPUGOM-UHFFFAOYSA-N 396.411 -0.499 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2cnn[nH]2)nc1 1575071765 BVMZSHWCSXATOE-FZKQIMNGSA-N 388.428 -0.257 30 20 GBED CCN(CCC#N)C(=O)CN(C)CCN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1577909268 KIIPUFPDOJIPRP-UHFFFAOYSA-N 387.448 -0.039 30 20 GBED Cn1c(=O)[nH]c(N2CCO[C@H](c3ccc(C#N)cc3)C2)c(-c2nn[nH]n2)c1=O 1581748190 RRUSGGOGIFNTQN-LBPRGKRZSA-N 380.368 -0.297 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@@]1(CO)CCCN(c2cncc(-c3nn[nH]n3)n2)C1 1588503229 XNNQCLLSNRZFFN-IRXDYDNUSA-N 388.432 -0.569 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[nH]n3)s2)C[C@@H]1O 1588505939 ZQVWARUBYMBUDQ-KXEKKFMESA-N 399.864 -0.031 30 20 GBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1O 1588611378 SPAPSYYZXNOCRY-LERXQTSPSA-N 389.416 -0.523 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)C1=O 1588654382 HAQFSQPVMDDLAC-CYBMUJFWSA-N 395.379 -0.573 30 20 GBED N#CCSCC(=O)N1C[C@H]2C(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 1592680265 JCELJAGUHLZRCE-RYUDHWBXSA-N 386.441 -0.114 30 20 GBED N#Cc1ccc(CCNC(=O)C(=O)N2CC[C@H](n3cc(C(=O)O)nn3)C2)cc1 1601098025 PMJLWHHBAUJSDO-AWEZNQCLSA-N 382.380 -0.020 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(O)(C(=O)O)CC1 1610656649 FDVOSTHMSLZHAS-UHFFFAOYSA-N 381.410 -0.447 30 20 GBED Cn1ncc(Br)c1CNC(=O)NCCn1cc(C#N)c(O)nc1=O 1684645499 KUZMWIVMSXJREA-UHFFFAOYSA-N 396.205 -0.184 30 20 GBED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1784493707 FFLFWNFBFIGBGR-KKUMJFAQSA-N 382.461 -0.383 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCC)NC(C)=O)C2 1793349787 JIKORRANVNILKB-MWTISTBLSA-N 393.484 -0.081 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]nnc1C 1795979172 ZIFAZNARFITEDK-YWVIFJGQSA-N 391.428 -0.174 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)NCC 1797695060 QRVJXGUTTFHLNQ-DGXTUMSLSA-N 394.472 -0.678 30 20 GBED CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)ON=C(C)C)C(=O)O 1799393426 FTOGHEJEHUJPKP-HAFSJTIUSA-N 398.460 -0.560 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2 1799394096 VMKCVQYPCKEXNW-HGTKMLMNSA-N 378.433 -0.331 30 20 GBED C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1813039084 FDZANXDHDUSKIX-ZGMNHVEMSA-N 393.513 -0.002 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)C1 1829673267 IGTMZEZEVPSQIN-FOIQADDNSA-N 391.468 -0.065 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1829950424 OTMRDYKUJILSGP-KDOFPFPSSA-N 378.429 -0.727 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccc(OC)cc1)CCO2 1830219041 AQMJUFKEFBZIBX-AZUAARDMSA-N 388.420 -0.182 30 20 GBED CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)C(C)(C)C 1834755973 PAKKJQDQMBTMBD-VQIMIIECSA-N 394.472 -0.093 30 20 GBED CC[S@@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1837239226 TVQSBYLHGCKPKV-DNOBIOAJSA-N 397.497 -0.095 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1840044215 QIMLGTUNTDPFHU-CUYVQJCZSA-N 392.408 -0.902 30 20 GBED C[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1(F)F 1840045200 WKZCSVGYTQIIFQ-HZPDHXFCSA-N 386.351 -0.424 30 20 GBED COc1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840157796 AWXCGCBOKUMFIO-SJKOYZFVSA-N 396.469 -0.127 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2 1844235486 FZSQPUGYHHWXEG-GFCCVEGCSA-N 378.429 -0.685 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@@H]1CCCN(CCCO)C1)c1cc[nH]n1 296529188 WMYIPBVSPMXQDS-IQQDNESTSA-N 381.433 -0.344 30 20 GBED C=CCN(CC=C)C(=O)[C@H](C)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 298093854 MFVCWIKIIURZIW-INIZCTEOSA-N 378.473 -0.422 30 20 GBED CC/N=C(/O)N1CCN(C(=O)Cn2cc(Br)c(O)nc2=O)CC1 330657584 PNWZUQUEDWUJMT-UHFFFAOYSA-N 388.222 -0.211 30 20 GBED C[C@@H]1CN(C(C)(C)CN/C(O)=N/CCNS(=O)(=O)N(C)C)C[C@@H](C)O1 331355656 QXYWOHNLYCYBAX-CHWSQXEVSA-N 379.527 -0.226 30 20 GBED C[C@H]1CCOCCN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N 349488195 DZUXNJORDKHHKG-ZDUSSCGKSA-N 378.476 -0.504 30 20 GBED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCn2cncc2C1 349501790 NIXWWFPLTNNXTK-CQSZACIVSA-N 389.503 -0.114 30 20 GBED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCCN(C)CC1 349536335 KVLSMIYWMRMKSL-CQSZACIVSA-N 380.536 -0.189 30 20 GBED CN1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)CC1=O 349610040 BSLZXUWGDBOXNK-NSHDSACASA-N 380.492 -0.910 30 20 GBED C#CCNC(=O)CN1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 360481842 BPPQWRUPSVSGSD-UHFFFAOYSA-N 395.441 -0.496 30 20 GBED C#CCCCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 378137053 DFEZEOMPQWQWRY-ZIAGYGMSSA-N 375.429 -0.013 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCn2c(O)nnc2C1 440805083 DDMIPBDFUBYZLO-UHFFFAOYSA-N 393.367 -0.275 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 451923442 MWSUNWIHXHYREK-OCCSQVGLSA-N 395.551 -0.133 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)CC1 459885577 MJUFKIDDEFQARD-IKGGRYGDSA-N 392.500 -0.558 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2-n2ccc(C(N)=O)n2)C1=O 509742757 LWDALJNIDKXHQD-UHFFFAOYSA-N 396.363 -0.114 30 20 GBED CNS(=O)(=O)NC1CCN(C(=O)COc2ccc(C#N)cc2OC)CC1 535843006 GYBVDLOWZQPBMF-UHFFFAOYSA-N 382.442 -0.010 30 20 GBED CC(=O)N1CCC(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 553597923 LNQKLLQESCNQIB-UHFFFAOYSA-N 398.467 -0.023 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C(F)F)cc1 563976190 SYDQKDPDMXBXRZ-LLVKDONJSA-N 383.398 -0.265 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)C1=O 590994027 BEYLYDUAARAXIR-UONOGXRCSA-N 395.456 -0.199 30 20 GBED N#C[C@@H](C(=O)Cn1cc(Br)cn1)C(=O)N1CCS(=O)(=O)CC1 732908794 RNDRHWBSJFUVKO-JTQLQIEISA-N 389.231 -0.389 30 20 GBED N#Cc1cccc(OCC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 750657634 UYFGGDNNDQNZOD-HOTGVXAUSA-N 379.438 -0.449 30 20 GBED N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCCC1 779314147 XBPABOGZLVRJBD-OXHZDVMGSA-N 395.437 -0.321 30 20 GBED C#CCN1CCN(C(=O)COc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 817579059 SSXIBTZCHUXMSA-UHFFFAOYSA-N 382.398 -0.602 30 20 GBED N#Cc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nn[nH]n2)c(F)c1 822829706 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COc1ccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1-c1nn[nH]n1 1591599716 IYXYZAATGUFVFE-NSHDSACASA-N 379.402 -0.566 30 20 GBED CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1604719719 HOIZHYKFJIEDNZ-SJORKVTESA-N 399.455 -0.300 30 20 GBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)C1 1606344063 WZUDTMMTRHTRPI-KRWDZBQOSA-N 399.390 -0.626 30 20 GBED CCN(CC)C(=O)CN1CCC(NC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1636100264 ZHNALACHHAJBNK-UHFFFAOYSA-N 390.444 -0.730 30 20 GBED C[C@@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)N1CCN(C)CC1 1781094599 JZAAGESLMIKYNC-OXJNMPFZSA-N 389.500 -0.244 30 20 GBED COC(=O)C1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)CC1 1782015727 XBLCRRNLRUWRCY-FZKQIMNGSA-N 392.408 -0.459 30 20 GBED CN(C)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786857341 MWLUKDMQQLTBJQ-JYJNAYRXSA-N 379.505 -0.190 30 20 GBED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)N1C[C@H]2C[C@H]2C1 1788516669 OLUUGUVONYAVDC-LTAJLKHCSA-N 389.452 -0.606 30 20 GBED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789760192 AGBZFNMCNWDUIV-QXKUPLGCSA-N 383.514 -0.392 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnc1)C2 1795597747 CWVDLFLEIHELTI-SCAQPMJSSA-N 388.472 -0.245 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1 1795889383 GNYBYVFWVOKMAG-MIFYACCESA-N 389.460 -0.850 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nccnc1C(N)=O 1799038227 JFFSNOLLASNYLL-FQUUOJAGSA-N 385.424 -0.134 30 20 GBED Cc1cc(C)n(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)n1 1801249825 DLILVQZUDWTDCR-CCWDJLKJSA-N 388.424 -0.432 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1ccnn1 1801391111 ZYQUJAJPSYNPMA-PNBKFKSVSA-N 375.429 -0.704 30 20 GBED CC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)C(C)(C)C 1831085578 JWJKDICIAHNYGO-LPHOPBHVSA-N 394.472 -0.093 30 20 GBED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1831183179 PWYWWHHYTQAAOF-RDTXWAMCSA-N 380.445 -0.339 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNC(=O)c1ccc[nH]1)CCO2 1832881377 LMMKCOBNJLMICK-LJQANCHMSA-N 388.424 -0.776 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835698604 GJGGFVGIFFEEMN-IEBWSBKVSA-N 387.440 -0.158 30 20 GBED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)N1C[C@@H]2C[C@H]2C1 1837283971 YHIYFLYKAYDTDY-DRMAHVMPSA-N 376.457 -0.303 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN(C)C)C2)C1 1837396606 GXAZXYKEFVGXIC-JXFKEZNVSA-N 397.516 -0.032 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](C)N(C)C(C)=O)C1 1843423531 CCEXGXRUTZTRGE-WBTMPAOCSA-N 376.457 -0.085 30 20 GBED CN1CCO[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 266238382 MBUBOAIIDMSLDE-MRXNPFEDSA-N 378.454 -0.278 30 20 GBED C#CCOc1cccc(NC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)c1 276200237 ZBGRXGLEKNRFKL-INIZCTEOSA-N 375.425 -0.211 30 20 GBED N#Cc1ncn(CCNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)n1 286116544 GPVXFXSTLYTUSS-GOSISDBHSA-N 379.380 -0.341 30 20 GBED C=CCNC(=O)CNS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O 295194666 RNOFODRAOAQEAH-UHFFFAOYSA-N 395.437 -0.479 30 20 GBED Cc1cnn([C@H]2CCN(S(=O)(=O)CCCS(=O)(=O)NCC#N)C2)c1 349491530 IEXQOFWAPLIJHS-ZDUSSCGKSA-N 375.476 -0.399 30 20 GBED CN([C@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(C#N)cn1 349529210 ZJWUQLFPXBTTKS-ZDUSSCGKSA-N 388.471 0.136 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CC#N)nn1C 349529495 ZWYLVYMQEZEMAM-JTQLQIEISA-N 378.480 -0.181 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CC1 419726451 JTDVADSQXDODSD-KRWDZBQOSA-N 391.516 -0.434 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3O2)CC1 459881671 FHFGTKZOROIRFY-KLHDSHLOSA-N 376.457 -0.931 30 20 GBED C=C(C)COCCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 475463562 JREHKSQFYFYTCD-UHFFFAOYSA-N 375.385 -0.720 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@]2(O)CCSC2)cc1 517176740 QYKDCRUVFIVVOZ-CYBMUJFWSA-N 391.496 -0.365 30 20 GBED CN1CCN(C)[C@H](CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 517641275 KZNXPYPWUVMTSK-OAHLLOKOSA-N 379.486 -0.146 30 20 GBED N#Cc1ccc(NC(=O)CCN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 533520141 UZQAUDIZBMIWKV-DLBZAZTESA-N 392.481 -0.026 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC1 577167422 KZXJFBNVPTYNFG-KBXCAEBGSA-N 388.472 -0.614 30 20 GBED COC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 579374183 NFFNVOLJPNGXPT-NSHDSACASA-N 389.455 -0.693 30 20 GBED CCOC(=O)c1c(NC(=O)C(=O)N[C@H]2C[C@@H](C(N)=O)C2)c(C#N)cn1CC 593686539 MLHRAPSRTBHAJS-JGZJWPJOSA-N 375.385 -0.125 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CCCOC2)s1 594637119 CDTUZMCEHFXYDI-UHFFFAOYSA-N 380.473 0.156 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)CC1 609457025 GGNWLMALBSOHGG-OAHLLOKOSA-N 386.456 -0.118 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 679086283 HSHCYRUEXSUHLL-UHFFFAOYSA-N 387.440 -0.569 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COc2ccc(OCC)cc2)CC1 761023213 FMRZEHICSXURTB-MRXNPFEDSA-N 397.497 -0.090 30 20 GBED CC(C)[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NC(N)=O 769205165 MTUSPPFGTTZSDD-ZDUSSCGKSA-N 382.398 -0.401 30 20 GBED C#C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)[C@H]1CCCO1 775347394 LXBHJJGYRDKUFV-JKSUJKDBSA-N 391.449 -0.282 30 20 GBED C[C@@H](C#N)OCCOC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 801822790 YHMFBRZCLJLRQR-LBPRGKRZSA-N 381.410 -0.107 30 20 GBED C#C[C@@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCCn2ncnc21 848969335 JDMZNJRNKBGHOK-CYBMUJFWSA-N 389.503 -0.119 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 854883231 VPDNKYSIQLCHKF-LBPRGKRZSA-N 395.437 -0.053 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(OC)n(C)n2)C[C@@H]1O 964489505 HPAILPUTLNPSLY-AEIGPULVSA-N 378.429 -0.289 30 20 GBED N#Cc1nccc(N2CCNC(=O)CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)n1 1039672553 NXZYHBNXDCMBNA-GELUBGBASA-N 396.451 -0.073 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1074588684 PJWCSLIUTGMNBV-NEXGVSGLSA-N 376.453 -0.082 30 20 GBED C#C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)[C@@H]1CCCO1 1117069435 VBFVXSQIEXTTDW-CABCVRRESA-N 386.408 -0.521 30 20 GBED C=CCn1c(C2CCN(CCO)CC2)nnc1N1CCN(CCOC)C(=O)C1 1121657055 WIKJGFXJRIYBTF-UHFFFAOYSA-N 392.504 -0.069 30 20 GBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 1219649545 DANZPJWMJBZJBC-VQHPVUNQSA-N 385.468 -0.935 30 20 GBED Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cn1 1298819572 XWQXBYKKQLCOOH-OCCSQVGLSA-N 391.457 -0.158 30 20 GBED C=CCn1c(C)nnc1S(=O)(=O)CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 1318769952 DUVOPOSRRFXVMX-GFCCVEGCSA-N 390.487 -0.418 30 20 GBED C[C@]1(C#N)CCCN(C(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)C1 1325603550 GAZLRMYJFJNDBS-LJQANCHMSA-N 384.440 -0.019 30 20 GBED N#Cc1ccc(CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)cc1 1328243902 WBDVISJPRYGNBH-UHFFFAOYSA-N 396.494 -0.331 30 20 GBED C=CCn1c(CCCS(C)(=O)=O)nnc1N1CCN(C(=O)COC)CC1 1355980779 DQULXHHDRDLJLX-UHFFFAOYSA-N 385.490 -0.264 30 20 GBED C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1NCC[C@H]1C 1574614982 PZCIUUQUDYVVOS-ILXRZTDVSA-N 396.517 -0.322 30 20 GBED C#CCN1CCC[C@H]1C(=O)NCCN(C(=O)[C@H](C)OCc1cnn[nH]1)C1CC1 1574985520 FJPHOXJKYOHRDM-YOEHRIQHSA-N 388.472 -0.085 30 20 GBED C=CCn1cc(C(=O)N(C)C[C@@H](C)NC(=O)[C@@H](C)OCc2cnn[nH]2)nn1 1575111544 GTDISYFNSWQPGZ-VXGBXAGGSA-N 376.421 -0.236 30 20 GBED N#Cc1ccc(C(=O)N2CC(n3cc(-c4nn[nH]n4)c(O)nc3=O)C2)c(F)c1 1581870568 IGYUNPJXKUOFQP-UHFFFAOYSA-N 382.315 -0.163 30 20 GBED CC(C)C#CC(=O)N(C)CCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 1589380161 OBSGZSFGHOJUME-UHFFFAOYSA-N 383.460 -0.104 30 20 GBED C#Cc1ccc(C(=O)NC[C@@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cn1 1602737174 MLFQEIDDZWKSNZ-SFHVURJKSA-N 391.395 -0.596 30 20 GBED O=C1CC(C(=O)N2CC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)=NN1 1778939019 HOPCWSHIUWDXHO-ABQTWSPHSA-N 387.396 -0.596 30 20 GBED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](N)CN)C3)c1 1780346557 HXFRTMAKQDVIHF-SQGPQFPESA-N 385.468 -0.028 30 20 GBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)CCO2 1783914213 LXYYBUIPNNNMMS-KRWDZBQOSA-N 394.453 -0.142 30 20 GBED CN1CCN(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)CC1 1786365201 DBEACPDPLKYFFN-ULQDDVLXSA-N 377.489 -0.483 30 20 GBED C[C@@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788679609 CPKAFYSDTCCJMZ-QWVLOAHRSA-N 390.440 -0.187 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2 1793342278 ITIHUQFATURYBX-BMFAXAFESA-N 393.484 -0.663 30 20 GBED C=CC[C@@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795632006 CBFKYIOJOOLTAS-WXQHOCMDSA-N 392.500 -0.063 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2 1799393494 KEHFFIKTBHJQPD-AYDFFVQHSA-N 378.433 -0.331 30 20 GBED C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O)N1CCN(C)CC1 1801988641 LIYIZUSLVOAIPZ-JONQDZQNSA-N 376.457 -0.652 30 20 GBED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1826013871 WWSMJHKQPDYFFT-ZKWXMUAHSA-N 397.482 -0.029 30 20 GBED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835436295 UDGNCMMEHZWUIX-MRXNPFEDSA-N 389.399 -0.258 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(C)=O)CCO2)C1 1839874566 YBAYWIUKRBZRIZ-KHYOSLBOSA-N 395.456 -0.994 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2 1840182011 TUVKRGAXZRSMOV-ROUUACIJSA-N 384.429 -0.365 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1840842818 CDZZZUBXTOIUDY-DNVCBOLYSA-N 377.441 -0.453 30 20 GBED N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)CNC(N)=O)C4)c2c1 1845583070 WHJROYPDTQBAGO-UHFFFAOYSA-N 381.396 -0.080 30 20 GBED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1cccc(C#N)c1 281485265 JXDVUIMTBQHSBZ-UHFFFAOYSA-N 380.470 -0.031 30 20 GBED O=C1C[C@H](N/C(O)=N/CCS(=O)(=O)N2CCSCC2)CN1C1CC1 330262713 VLMNYIMYYSMMPB-NSHDSACASA-N 376.504 -0.368 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 349454118 BUMAXWKTIGNSPO-RYMFRWLXSA-N 375.472 -0.577 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C(C)(C)C)CC1 349516890 KDKUDDTWKCRDPM-ZDUSSCGKSA-N 380.536 -0.046 30 20 GBED CCOC1CN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@@H]2C#N)C1 349526795 QAVCUXJVMHTALI-LBPRGKRZSA-N 397.544 -0.302 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCn2ccnc2C1 349551637 JDXITAZZBXSFTO-STQMWFEESA-N 389.503 -0.319 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](c2nn[nH]n2)C1 366295210 JHBROSQUDZOTKH-MFKMUULPSA-N 391.413 -0.662 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 374446319 IMHRZFGUDGYINY-KGLIPLIRSA-N 378.520 -0.483 30 20 GBED COc1ccccc1N1CC[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1=O 409516317 WWIFYRZRYFMEGW-CHWSQXEVSA-N 380.426 -0.141 30 20 GBED C=CCN(CCOC)C(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 410908247 GUMLNNLGIKMUPD-INIZCTEOSA-N 380.489 -0.198 30 20 GBED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 445199829 SLPVSAHLSNWBIE-KGLIPLIRSA-N 398.379 -0.398 30 20 GBED CCS(=O)(=O)NCCNC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 462008269 AJRRIEFIOCRBKI-UHFFFAOYSA-N 377.430 0.508 30 20 GBED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc(I)c1 509004678 MZTLLDDIZYDWAU-UHFFFAOYSA-N 386.149 -0.014 30 20 GBED Cc1ccc(C(=O)NCCC(=O)N2CCOCC2)cc1S(=O)(=O)NCC#N 518687121 NZVDEDKPEBTLQF-UHFFFAOYSA-N 394.453 -0.224 30 20 GBED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1 546708938 LSPLHCVKUAIJQB-UHFFFAOYSA-N 380.426 -0.001 30 20 GBED N#Cc1c[nH]c(=O)n(CC(=O)NCC2(N3CCOCC3)CCCCC2)c1=O 563125793 BFSNGTRJLIZEGK-UHFFFAOYSA-N 375.429 -0.440 30 20 GBED N#Cc1ccc(Br)cc1S(=O)(=O)N(CC(N)=O)CC(N)=O 563664331 QPEYIPPJBSNUCQ-UHFFFAOYSA-N 375.204 -0.718 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCc3ccn(C)n3)CC2)c1C#N 565915257 CJQCJGLAHISZDM-UHFFFAOYSA-N 384.444 -0.659 30 20 GBED COC[C@H](O)CCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 568251932 BXKORQUHXQRGIR-NWDGAFQWSA-N 391.471 -0.447 30 20 GBED Cc1cc(C#N)cc(NC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1 590781305 YJIBIJPNMOYSJR-UHFFFAOYSA-N 379.442 -0.244 30 20 GBED CS(=O)(=O)N1CCN(CCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 609811931 WEDNLQDIGQXEMY-UHFFFAOYSA-N 397.432 -0.671 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)COc1ccccc1C#N 619874381 FAJYNUMJNJCMPW-CQSZACIVSA-N 375.381 -0.156 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)CC1 728533819 BVSCQFGSSDLCGG-SFHVURJKSA-N 384.436 -0.306 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)N(C)C)o2)CC1 733148747 KINOSQOQSNIKGZ-UHFFFAOYSA-N 396.469 -0.573 30 20 GBED C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734034050 COMGQZZMPMNBEL-VXGBXAGGSA-N 395.437 -0.079 30 20 GBED CC(=NNCC(N)=O)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 758898497 MISBPJSZDHONKZ-UHFFFAOYSA-N 382.442 -0.029 30 20 GBED COCCOc1ccccc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771897497 OHLBNYHWSVKAGJ-UHFFFAOYSA-N 396.425 -0.578 30 20 GBED C[C@H](OC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)N(C)CCC#N 785653660 BWVOVCVXUVFHEZ-GJZGRUSLSA-N 380.445 -0.529 30 20 GBED N#CCOc1cccc(CC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 787998201 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C#CC[C@@H](CCOC)NC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 875022984 SXPUXPBFIPWHDW-KRWDZBQOSA-N 387.484 -0.006 30 20 GBED COCCNC(=O)[C@H](C#N)C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 916890466 IBCWXXGBUYGRKY-TZMCWYRMSA-N 375.360 -0.283 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cnc(O)n(C)c3=O)[C@@H]2C1 974710348 CZYLHZXNCOMLFC-GBOPCIDUSA-N 388.424 -0.250 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2[C@H]3COC[C@H]32)C1 990930493 NGGRPBMBURHJET-SBUNQNRYSA-N 387.440 -0.370 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ncccn2)C[C@@H]1n1ccnn1 990963026 KWOORQWGYJGATI-KBXIAJHMSA-N 383.412 -0.159 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2ncn(C)c2=O)nc1 997945019 VIAPEBBEFGSHER-KBMXLJTQSA-N 380.408 -0.480 30 20 GBED C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 1000178391 OLOAWSJKDYJSFI-JSRQGNBESA-N 382.420 -0.043 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnnn2CC)C[C@H]1O 1023916078 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C=CCn1c(C2CC2)nnc1S(=O)(=O)CC(=O)N1CCN(C(C)=O)CC1 1322448293 ZNBGFBXMYGDXDS-UHFFFAOYSA-N 381.458 -0.194 30 20 GBED CN1CCN(c2ccc(CNC(=O)C(=O)NC3CCN(CC#N)CC3)cn2)CC1 1322799220 YPHCBCOCNPKIDY-UHFFFAOYSA-N 399.499 -0.446 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)NCc2cccc(OCC#N)c2)O1 1323495341 RFIOKZARCJUNJR-CVEARBPZSA-N 388.424 -0.043 30 20 GBED CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326228247 WAQSSPUJWGKDNX-KRWDZBQOSA-N 379.438 -0.074 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[C@@H](C(N)=O)C2)CCN1Cc1ccccc1 1328950666 YQEDYFSOKVGMMI-IXDOHACOSA-N 383.452 -0.007 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCN2CCOC[C@@H]2C1 1342046503 HCMGOUXVOSCPRX-ZDUSSCGKSA-N 387.444 -0.951 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCN(C(=O)N3CCOCC3)CC2)CC1 1345455323 XAFZIPSQGJGPIN-UHFFFAOYSA-N 394.472 -0.488 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 1346553369 PIZYSVPNDSZVCI-OVZRNVPMSA-N 389.456 -0.238 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H](C4OCCO4)C3)CC2)nc1 1352920309 OHAPGZZDPDHVFM-OAHLLOKOSA-N 385.424 -0.177 30 20 GBED CC(C)(C)C#CC(=O)NC[C@H](O)CNC(=O)C1(Cc2cnn[nH]2)CCOCC1 1575246825 PCGBCIPHHCHQIO-HNNXBMFYSA-N 391.472 -0.213 30 20 GBED N#Cc1ccc(C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nn[nH]n2)[nH]1 1581867685 RFSUYEIIFBYQDQ-LLVKDONJSA-N 380.372 -0.508 30 20 GBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1(C)C 1588353203 KJGRAVOUJMJVHL-SMDDNHRTSA-N 384.444 -0.227 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1O 1602721591 PEXGFLHGYQADEP-VNQPRFMTSA-N 382.428 -0.975 30 20 GBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@H]1C 1602722547 XJWCMTAPSQBJOE-TZMCWYRMSA-N 384.444 -0.368 30 20 GBED Cc1nc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)ccc1-c1nn[nH]n1 1606056481 FQJAAWVXINPJIG-ZIAGYGMSSA-N 379.384 -0.251 30 20 GBED N#Cc1cnc(NC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCO2)cn1 1606390434 VSKMRUXATNVCLK-LBPRGKRZSA-N 380.372 -0.190 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](NC)C(=O)O)C[C@@H]21 1784501170 LVIVIKQEYBLHBJ-GVRJEKJASA-N 397.472 -0.380 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1784501556 VQMUJYSAHPQPPV-QXKUPLGCSA-N 396.488 -0.850 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn(C)n3)[C@H]2C1 1785872394 RZFVOPUXZLSCLQ-QPSCCSFWSA-N 377.445 -0.001 30 20 GBED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]3C2)CCC1 1786893636 DAKOCONZSDPWEY-AJNGGQMLSA-N 391.472 -0.747 30 20 GBED CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21)C(=O)O 1786896801 XTTDGZOAEBURIF-FQUUOJAGSA-N 378.429 -0.667 30 20 GBED C[C@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1789879081 AHIRMELPGREXAI-VGWMRTNUSA-N 393.488 -0.618 30 20 GBED COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cn1 1791072623 NBQLLAZSNYETCW-KKUMJFAQSA-N 387.392 -0.229 30 20 GBED CCC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 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CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1831492779 OEJFVVWZCYJVBI-WBVHZDCISA-N 397.501 -0.311 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833568631 IVHDTDGAPHTPRT-QGZVFWFLSA-N 393.375 -0.234 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ncnn4C)CCO3)C2)C1 1833837735 LANFZSFMWWYTRH-SFHVURJKSA-N 375.429 -0.149 30 20 GBED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1834736325 MCYCZVKWICGVIE-SWLSCSKDSA-N 399.561 -0.531 30 20 GBED C[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)CCCN1 1835345887 IQTDWFJMJKVWBJ-IEBWSBKVSA-N 376.457 -0.111 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1835353735 CEELCVUIJIUWFB-MJGOQNOKSA-N 387.440 -0.158 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]nc3C)CCO2)C1 1838676914 FPKKMGZILBYWOA-HNAYVOBHSA-N 390.440 -0.174 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040176 QVRAWHOWVGMGRL-KDOFPFPSSA-N 380.397 -0.878 30 20 GBED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cn1C 1840042607 DWQPUPFOULYRBN-IBGZPJMESA-N 389.408 -0.508 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1842919186 CRGDFVBRMAVDJM-LBPRGKRZSA-N 390.444 -0.930 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 15445126 KLGLAMHUCQKNDO-UHFFFAOYSA-N 393.465 -0.081 30 20 GBED C/N=C(/NCC1CCN(C(C)=O)CC1)N1CCN(c2cnn(C)c2)C(=O)C1 155845176 XHEUXARMFFVXCP-UHFFFAOYSA-N 375.477 -0.097 30 20 GBED N/C(=N\CCCn1nc2n(c1=O)CCCC2)N1CCN(c2ncccn2)CC1 264127107 WRRWZCMXOKIVAH-UHFFFAOYSA-N 385.476 -0.302 30 20 GBED COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 265799438 NCGUHYQICGISCM-CYBMUJFWSA-N 382.442 -0.023 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCN1CCN(C)CC1 268738209 QSVYSBXDSVPCEE-HNNXBMFYSA-N 393.513 -0.021 30 20 GBED COC(=O)Cc1nnc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)[nH]1 268795132 BNVSABDCXAEYMI-VIFPVBQESA-N 392.397 -0.303 30 20 GBED N#Cc1ccccc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 275550249 NKCVNKHQYNXPCC-KBPBESRZSA-N 385.467 -0.666 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCC1(C(=O)OC)CCOCC1)c1cc[nH]n1 278270089 AQRRRDTYLAHQMX-KGENOOAVSA-N 396.400 -0.221 30 20 GBED CN(C)S(=O)(=O)N(CC#N)CC(=O)NCc1cccc(C(=O)NC2CC2)c1 289377532 KVWGWEIJJVOFTL-UHFFFAOYSA-N 393.469 -0.173 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N(C)C[C@H](C)O)c1C#N 349478991 LDTIEZKPNFRKNU-VIFPVBQESA-N 379.464 -0.636 30 20 GBED CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)C(=O)C1 349496108 PCQOBRAAHWBXPO-GFCCVEGCSA-N 380.492 -0.956 30 20 GBED C[C@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)Nc1nc2n(n1)CCCC2 349569329 BBAYPDINMRNZID-LLVKDONJSA-N 390.491 -0.175 30 20 GBED N#Cc1cccc(NS(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CC[C@H]2O)n1 349583818 KIMWSKCQZKHCEN-CHWSQXEVSA-N 388.471 -0.082 30 20 GBED C#CCN=c1nc(N2CCO[C@@H](COC)C2)[nH]c(N2CCO[C@@H](COC)C2)n1 367434829 KTWJFLMAQJORMH-HUUCEWRRSA-N 392.460 -0.958 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@@H]2CO)cc1 372648691 ASZCYHOEIDHFLY-ZIAGYGMSSA-N 397.453 -0.614 30 20 GBED C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC(=O)N1C 374470952 HQHCESMMNROFFJ-NSHDSACASA-N 384.371 0.511 30 20 GBED CS(=O)(=O)c1ccc(OCCNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1 410162272 QJEVZTXSKQWZPK-ZDUSSCGKSA-N 389.455 -0.472 30 20 GBED CC1(C)CN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C[C@@H](CO)O1 422105106 JQMPTTOIOMHADL-CABCVRRESA-N 388.424 -0.069 30 20 GBED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@H]2CCC(=O)NC2=O)n1 440485114 HSZMBJGQPGEVDB-NSHDSACASA-N 384.327 -0.257 30 20 GBED Cc1cc(C#N)cc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 453575523 KJEJNMZMEGWRSA-UHFFFAOYSA-N 383.408 -0.245 30 20 GBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn(CC(=O)OC)c1 462512305 KTGWFDSXOTVLPM-LLVKDONJSA-N 377.444 -0.580 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](S(N)(=O)=O)C1 535227620 ZZRIMRXYVORZDR-MFKMUULPSA-N 386.455 -0.886 30 20 GBED COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 538096271 HLDOYVKPTWNBQB-HUUCEWRRSA-N 379.461 -0.958 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)C1=O 566555015 SCGQGGXOUQILQZ-HNNXBMFYSA-N 382.424 0.510 30 20 GBED CCN(CCC#N)S(=O)(=O)c1ccc(S(=O)(=O)N=c2nc[nH]n2C)cc1 568295180 SKAXIYKFORNWRI-UHFFFAOYSA-N 398.470 -0.038 30 20 GBED CC(C)(C#N)NS(=O)(=O)c1cccc(S(=O)(=O)NC2(C(N)=O)CC2)c1 577746862 JYADFUBGTHCIDL-UHFFFAOYSA-N 386.455 -0.437 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CC(=O)N[C@@H](C)C2)cc1 578906908 SESACHUSWVQVFZ-QWRGUYRKSA-N 386.455 -0.614 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1COCCO1 579979340 WAQRMOFGWLMYBB-LLVKDONJSA-N 375.428 -0.818 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@H](n2cc(C(=O)O)nn2)C1 593274537 SWIPYISLFNCRMH-LBPRGKRZSA-N 386.434 -0.280 30 20 GBED C#CCN1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 733162372 NDGSYRNSJSQZPX-UHFFFAOYSA-N 395.441 -0.178 30 20 GBED C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C 735374859 NKXRHTPRDUYDAL-CYBMUJFWSA-N 395.466 -0.014 30 20 GBED CS(=O)(=O)N(c1ccc(OCCNC(=O)CC#N)cc1)S(C)(=O)=O 773595488 AQLSPPBEYRRICN-UHFFFAOYSA-N 375.428 -0.179 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1ccc(OC)c(OCC(N)=O)c1)[C@@H]1CCCO1 773797824 ORIBLDKPULUXQN-STQMWFEESA-N 375.381 -0.205 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1 785155504 IWJYZYUVNQUXNR-UHFFFAOYSA-N 383.426 -0.684 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O 828748621 DTHRLGHLOMALCQ-CQSZACIVSA-N 375.429 -0.552 30 20 GBED C=CCn1cc(C(=O)OCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)nn1 830136134 QZJDIVFRIOUEKJ-UHFFFAOYSA-N 391.409 -0.142 30 20 GBED C/N=C(/NCCN1CCOCC1)NC[C@H](O)COc1ccc2c(c1)OCO2 849068447 HZWWEKMCQVIJIE-AWEZNQCLSA-N 380.445 -0.348 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 894514205 FUXBUNOHIUCWSI-HNNXBMFYSA-N 385.534 -0.098 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCN(C)[C@@H]3CC)C[C@@H]2O)CC1 966006809 DRKGYRFOXXRMNN-MANSERQUSA-N 390.528 -0.250 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1n1ccnn1 990881791 ZDGSKJLTKPWVKZ-MQYQWHSLSA-N 386.416 -0.441 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 1021605314 BMXKSJJQIDPTMR-YJNKXOJESA-N 375.425 -0.214 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@@H]3C2)nn1 1022713128 FJLDTIYTHRNTHB-PMOUVXMZSA-N 388.428 -0.830 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)N2CCNC(=O)C2)nc1 1098246881 YRUGUYQQIXQWFT-OIISXLGYSA-N 381.436 -0.644 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nc2ncc(C)cn2n1 1109434344 KKVPNDAUGWQBGM-KBXIAJHMSA-N 381.440 -0.094 30 20 GBED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 1116720146 IFWUAIXNWVMSPE-QWHCGFSZSA-N 395.437 -0.076 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCC(NS(=O)(=O)CC)CC2)CC1 1117275905 JUCDIANXMXRFGR-UHFFFAOYSA-N 386.518 -0.317 30 20 GBED C#CCSCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)NC)s1 1117412189 OXKLUNFBGXNCKB-UHFFFAOYSA-N 375.497 -0.245 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)c3ncn(C)n3)CC2)c1C#N 1324059565 CJLVUBJNQSZMAC-LBPRGKRZSA-N 385.432 -0.745 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCS(=O)(=O)Cc2ccccc2)C1 1326114932 HQYIHTCEAWKHGY-KRWDZBQOSA-N 379.438 -0.405 30 20 GBED N#Cc1cccc(NC(=O)C(=O)N2CCC(N3CCCS3(=O)=O)CC2)n1 1329299696 MYZXQUSQXBDPME-UHFFFAOYSA-N 377.426 -0.082 30 20 GBED C=C(C)Cn1c(N2CCN(C(=O)COC)CC2)nnc1[C@]1(C)CNC(=O)C1 1343006793 GDQAMNFDZHLEHE-SFHVURJKSA-N 376.461 -0.073 30 20 GBED C#CCN1CCC(C(=O)NC[C@H](O)CNc2ncccc2-c2nn[nH]n2)CC1 1573281880 CHIJAWRPTUEDCQ-CQSZACIVSA-N 384.444 -0.504 30 20 GBED C#Cc1cncc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)c1 1573292703 ZYWXRXGHOREHFX-KBPBESRZSA-N 391.395 -0.597 30 20 GBED C[C@@H](C#N)C(=O)N(CCO)[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573561236 JGSYFKLZOGITRZ-AAEUAGOBSA-N 386.416 -0.220 30 20 GBED CN(C)CCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(C#N)cc1C(=O)O 1598224774 TZJWIVYPFDQTAZ-UHFFFAOYSA-N 382.442 -0.103 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2snc(C)c2-c2nn[nH]n2)C1 1602724063 AEXDJJFYSZYGNY-MEDUHNTESA-N 391.457 -0.273 30 20 GBED C=CCn1c([C@@H]2COCCN2C)nnc1N1C[C@@H](C(=O)O)[C@@H](C(=O)OC)C1 1602931947 GDWCAPMYJQWCMH-AGIUHOORSA-N 379.417 -0.223 30 20 GBED CCc1nc(-c2nn[nH]n2)cc(N2CC[C@@H](NC(=O)C#CC(C)C)[C@@H](O)C2)n1 1604544941 XRYJATISDCPSAF-OCCSQVGLSA-N 384.444 -0.066 30 20 GBED N#Cc1cnc(NC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCO2)cn1 1606390433 VSKMRUXATNVCLK-GFCCVEGCSA-N 380.372 -0.190 30 20 GBED N#Cc1cn(CC(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)c(=O)nc1O 1631689747 IKWGCFPJCGVZHD-CABCVRRESA-N 375.429 -0.295 30 20 GBED O=C1CC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)N1 1779137523 QJQWNBOCFYZQSU-SRVLLJOSSA-N 388.424 -0.193 30 20 GBED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1783164217 DINSCYHTWPPLHC-PJIJBLCYSA-N 390.440 -0.488 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc3ccccn13)CCO2 1783562036 ZCHUXBHPAULYGU-IBGZPJMESA-N 382.376 -0.134 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCc1ccc(O)nn1)CCO2 1783565588 OGQUTALNWZFHTB-SFHVURJKSA-N 388.380 -0.967 30 20 GBED CN(C)C(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601865 UQESIHIRPDIPSE-UZPFABOCSA-N 393.488 -0.474 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(N)=O 1796318242 VLPAVEVLOXRPRC-AHDPXTMNSA-N 380.445 -0.939 30 20 GBED CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1800187378 GBBWEUZHZGGNSE-AGGWBTHJSA-N 393.513 -0.246 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O 1801118263 XTDSSJWKEBSBFW-FLTUCWPJSA-N 391.424 -0.908 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2 1833877382 AMDBTUUAALDUDR-KRWDZBQOSA-N 395.485 -0.196 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc[nH]2)CCO3)c1 1834104861 QZQIGXAXYOPFEI-GOSISDBHSA-N 384.396 -0.007 30 20 GBED NCC(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1834669418 HAACHBWODTTWIW-RCCKNPSSSA-N 378.521 -0.012 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C)CCO2)C1 1834943896 DSRHDNQZCIXQBU-CRAIPNDOSA-N 384.477 -0.195 30 20 GBED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835339319 METSEJDDUZUDKO-KXBFYZLASA-N 392.456 -0.339 30 20 GBED Cc1n[nH]cc1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1836154676 OGFWRWYXRYJLOT-UHFFFAOYSA-N 387.440 -0.009 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1837402195 FONPLHMACYVJIS-LIRRHRJNSA-N 394.424 -0.896 30 20 GBED C#CCCC(=O)N1CCC(OC2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1837885900 YDWUJJFDSALPLH-KRWDZBQOSA-N 392.500 -0.009 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cncn3)C2)C1 1840166241 ZEOPQCIYPQHSMU-XEZPLFJOSA-N 383.474 -0.386 30 20 GBED CN(C)C(=O)NCC(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1841134645 RYPMPDXILJHSSN-YODDIOPGSA-N 395.460 -0.010 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1841598390 HEJWNZPUEUJDOU-KGLIPLIRSA-N 385.486 -0.444 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2ccc(F)cc2F)CC1 113433442 IONXHPORDMRTBA-UHFFFAOYSA-N 392.406 -0.022 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCN2CCN(CC)CC2)cc1 120467959 ROLGCHJYVHXNPA-UHFFFAOYSA-N 378.498 -0.035 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)cc1 276521482 ZVGSUQNDFROEHP-LSDHHAIUSA-N 392.437 -0.576 30 20 GBED C=CCn1c(SCC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)n[nH]c1=O 283779807 DEMODBCQMSMQSG-LLVKDONJSA-N 390.487 -0.488 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)OC)C(=O)OC)cc1 298129988 COTABGQASPUQLM-CYBMUJFWSA-N 384.410 -0.015 30 20 GBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 328788666 KHKBKZQKRZAJRE-XMKDAVRRSA-N 385.442 -0.471 30 20 GBED C[C@@H](CN1CCN(C)CC1)/N=C(/O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 329337569 YKFKZZITHPAYOQ-LBPRGKRZSA-N 377.449 -0.974 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 349549821 GTTZSPJGFPKKNX-STQMWFEESA-N 397.544 -0.206 30 20 GBED Cc1nc(NS(=O)(=O)CCCCS(=O)(=O)N2CCOC2)ccc1C#N 349606639 XQXHEWMVNKCWPB-UHFFFAOYSA-N 388.471 0.403 30 20 GBED 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30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](NC(=O)N(C)C)C2)c1=O 840147079 PCJIOXKETDBQNU-CQSZACIVSA-N 392.460 -0.763 30 20 GBED C#CCN(C)CCCNC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 843897315 UOJUCKBLVCZTRW-UHFFFAOYSA-N 380.470 -0.005 30 20 GBED C#C[C@H](CC)NS(=O)(=O)CCCS(=O)(=O)Nc1ccc(=O)n(C)c1 848963312 PCGHXPNDGKOERH-GFCCVEGCSA-N 375.472 -0.152 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3(n4cnnn4)CC3)CC2)o1 849995855 SABIXYAZKCCDAJ-UHFFFAOYSA-N 386.372 -0.778 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc(F)cc2F)CC1 872515493 OKRNOHJWINDAEV-UHFFFAOYSA-N 393.437 -0.120 30 20 GBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C[C@@H]2CC(=O)NC2=O)c1 998220057 RDCPGSBEUYLRDG-OJLVUWQFSA-N 380.404 -0.023 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 1022345453 SVZBOAKKYXOZPC-JJXSEGSLSA-N 376.457 -0.931 30 20 GBED CCS(=O)(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 1092870335 XAQFHNNQBTUTKL-AGIUHOORSA-N 378.458 -0.144 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[nH]1 1111106040 XWQBQUBHQKTCRJ-KBXIAJHMSA-N 376.461 -0.199 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NOC[C@@H]3CCOC3)C2=O)cc1 1117534416 RLPWLJHJJGCGAN-HZPDHXFCSA-N 386.408 -0.140 30 20 GBED CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)C1 1118515832 STIHVVUSBXXTAA-GFCCVEGCSA-N 396.494 -0.086 30 20 GBED N#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 1129098600 LXOKHCSVHJAYCG-FSZRXZPDSA-N 387.444 -0.781 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H]1CCN(C2CC2)C1 1257472871 OZXUIMRAEJNPIT-KBPBESRZSA-N 383.456 -0.262 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1260310540 ZPWOLHZTFFOFAG-IRXDYDNUSA-N 392.500 -0.599 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nnc3n2CCOC3)cc1 1261205807 QBGRBFBVLSFVFM-UHFFFAOYSA-N 376.398 -0.725 30 20 GBED CNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 1261324403 HBPMFWPXBYEJCK-LSDHHAIUSA-N 385.424 -0.082 30 20 GBED CN(C)C(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1261860917 JTALMJADDHORDX-ZFWWWQNUSA-N 376.461 -0.553 30 20 GBED COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1301732910 XBTFZUIXKRZZFK-UONOGXRCSA-N 377.449 -0.464 30 20 GBED CCOCCO[C@H]1CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1322696377 WCAKQLTZJNJILR-ZGTROFRASA-N 394.428 -0.717 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](OCC)[C@@]23CCCO3)CC1 1323741421 SRVGPNQGSLIIEW-JXXFODFXSA-N 391.468 -0.183 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 1329052238 IKAQHRMPINIIPP-AWEZNQCLSA-N 388.424 -0.355 30 20 GBED CNC(=O)CCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 1332612674 OVIIDYJKINFUAD-LLVKDONJSA-N 380.426 -0.095 30 20 GBED CN(C)C(=O)CN1CCC(NC(=O)C(=O)NCCc2ccc(C#N)cc2)CC1 1334071377 SGDNKBAPXTXIRJ-UHFFFAOYSA-N 385.468 -0.114 30 20 GBED C[C@H]1[C@@H](C)N(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC[S@]1=O 1344898332 KETIHOQFVXLLHI-MWSMCUOVSA-N 389.481 -0.030 30 20 GBED 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C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1778969780 SDLYCMULVSXLLR-TYILLQQXSA-N 379.457 -0.332 30 20 GBED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1779139725 GPXOZCCUTRUJFH-FECOBFBJSA-N 390.440 -0.749 30 20 GBED NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1783147683 GDSBXOFIYGHGAI-HXUWFJFHSA-N 391.468 -0.220 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(F)cn1)CCO2 1783563104 WJTGWVXYMXTSTN-SFHVURJKSA-N 375.356 -0.319 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)[C@H]2C1 1783626239 TVIZKQFOWOJYMX-WOYTXXSLSA-N 391.468 -0.469 30 20 GBED COCCOCCOCCC(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1783662684 CJJGVHQVJFNROG-SFHVURJKSA-N 383.445 -0.200 30 20 GBED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21 1784389498 DHJOQNGAQDJXIQ-JYJNAYRXSA-N 385.420 -0.696 30 20 GBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CS(=O)(=O)N1CCCC1)CCO2 1785422006 GELKWBLQZUKBDE-GOSISDBHSA-N 397.497 -0.345 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1786569146 NRLLOMPCABADEW-YXMSTPNBSA-N 379.457 -0.164 30 20 GBED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C[C@@H]21 1792171472 ZPRQNPBFTWGYNR-UGUYLWEFSA-N 399.513 -0.293 30 20 GBED Cc1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cs1 1800773715 RMTVBJDJZWTIRX-DPIQGUFMSA-N 377.422 -0.328 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)CC2 1825674768 OSOJLFNIYVORNF-ZJUUUORDSA-N 390.421 -0.331 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnco3)C2)C1 1831386538 HNXUBZOADWQZTQ-KDOFPFPSSA-N 377.397 -0.217 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H]1CCCCO1)CCO2 1832349829 CFKZEQRSHQGYPB-BEFAXECRSA-N 394.424 -0.510 30 20 GBED CC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1834712522 MQBCRZGFGRSOEU-GOSISDBHSA-N 380.445 -0.686 30 20 GBED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834760933 MWQQCECERPGWOU-KDOFPFPSSA-N 388.428 -0.353 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CSC(=N)N)CCO3)C2)CCC1 1835517000 PHOAYNCKERFOTH-KRWDZBQOSA-N 395.485 -0.237 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CN)CCO2)C1 1835529906 CZHIVOIRNHTYED-IIDMSEBBSA-N 384.477 -0.162 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)N(C)CC)CCO2)C1 1839637747 RZWLUKHXDFYMLS-QKLQHJQFSA-N 395.500 -0.179 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839719639 GPFXPJGRRMJODP-BEFAXECRSA-N 392.456 0.000 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839876967 FERDBRDEQZQGKL-SCLBCKFNSA-N 378.429 -0.729 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](COC)NC(C)=O)C1 1844385377 QRSUQCPKWUEQJK-HUUCEWRRSA-N 381.473 -0.086 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCCn1cc([N+](=O)[O-])cn1)c1cc[nH]n1 278276173 AWUQSYVRQGFSJK-CPNJWEJPSA-N 379.333 -0.385 30 20 GBED C=CCN1CC[C@@H](N(C)CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)C1=O 281235281 FRUKOSHTULWGTJ-CQSZACIVSA-N 396.469 0.000 30 20 GBED O=C(CN1CCOCC1)N1CCN(/C(O)=N/[C@@H]2CCO[C@@]3(CCOC3)C2)CC1 329107617 DXXJEIIQGUZEGA-APWZRJJASA-N 396.488 -0.285 30 20 GBED Cn1ccnc(N=C(O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1=O 329461737 SNPFVDYYHPRSRE-LBPRGKRZSA-N 385.446 -0.548 30 20 GBED CC(C)(CC#N)CS(=O)(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 408457055 NGYZHLXLUSGWHQ-UHFFFAOYSA-N 386.474 -0.741 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCCN1C(=O)c2ccccc2C1=O 409564662 BMNZRTSJYBXUKY-UHFFFAOYSA-N 380.426 -0.021 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 409828155 LLDFOVYRCYJAQB-CHWSQXEVSA-N 382.508 -0.599 30 20 GBED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCO1 410586253 CNAFJJWWGVNMSF-IAGOWNOFSA-N 399.451 -0.804 30 20 GBED C[C@@H](O)CN(C(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@H](C)CO 410862582 GMTVAUNYNHKZOZ-ZIAGYGMSSA-N 392.431 -0.064 30 20 GBED C=C[C@@H](CO)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 426847664 HHZVYWGJTVTEPP-ZFWWWQNUSA-N 383.470 -0.121 30 20 GBED C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](O)[C@H](N(C)CC(=O)O)C3)cc2C1=O 435696605 KKPPWNFLCKFQAW-HUUCEWRRSA-N 387.392 -0.330 30 20 GBED CN1C(=O)NCC12CCN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)CC2 564879754 RMYKDNIQZFWKCU-UHFFFAOYSA-N 391.453 -0.147 30 20 GBED N#Cc1cnn2cc(CN3CCN(C(=O)C(=O)N4CCOCC4)CC3)cnc12 567895442 IVFHDCSFNOSSGQ-UHFFFAOYSA-N 383.412 -0.896 30 20 GBED Cn1cc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)cn1 570861827 NULGOEUXRUPLOW-UHFFFAOYSA-N 388.453 -0.081 30 20 GBED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCCCC#N)C1 571668500 YXDXTFUTHZBWAM-AWEZNQCLSA-N 388.490 -0.305 30 20 GBED C=CCSCCNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 572667334 SLWWQBKCSGNRBS-UHFFFAOYSA-N 378.502 -0.250 30 20 GBED COCCOCCN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 584005187 KJWZPDZKLOPGJD-UHFFFAOYSA-N 391.471 -0.228 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)C)cc1 584790678 RQHUUUHTVOJZQO-NSHDSACASA-N 388.471 -0.414 30 20 GBED CCOC(=O)c1c(NC(=O)C(=O)NCCN2CC[C@H](O)C2)c(C#N)cn1CC 600100814 WTEGDXOGJWKGDH-ZDUSSCGKSA-N 391.428 -0.322 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(C)c2C(=O)OC)CC1 728590163 UPAXBPLEAACQJH-UHFFFAOYSA-N 393.465 -0.163 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)NCCN2C(=O)CNC2=O)ccc1F 733269824 BAKMLXPJVNOLAI-UHFFFAOYSA-N 384.389 -0.428 30 20 GBED C[C@@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1)N1C(=O)NC2(CCCC2)C1=O 735569080 DGWPZPKLRWCWSO-ZETCQYMHSA-N 384.360 -0.347 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 746913308 VOYKNUYPLFLLHQ-MRVPVSSYSA-N 375.341 -0.409 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CC=CC[C@H]1C(=O)O[C@@H](C)C(=O)NCC#C 754257088 DQTFVZRSFVTWGQ-YHUYYLMFSA-N 388.420 -0.069 30 20 GBED COCC(=O)N(C)CC(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 758800613 SJIFIAIAVGMWEI-UHFFFAOYSA-N 393.400 -0.849 30 20 GBED C#CCNS(=O)(=O)N1CCN(CCCS(=O)(=O)c2ccccc2)CC1 761030368 GTJUAPIPANPDLT-UHFFFAOYSA-N 385.511 -0.064 30 20 GBED Cc1nc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)nn1C 815561998 VIRCMVRLHLIJMM-GHMZBOCLSA-N 377.405 -0.063 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(O)(C(=O)O)CC1 833522643 CXPKTZOZYFLYPJ-NSHDSACASA-N 381.410 -0.337 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCC[C@@H](NC(=O)N(C)C)C1)c1cc[nH]n1 837138468 WHFVFLVRHCAPEQ-GFCCVEGCSA-N 394.432 -0.044 30 20 GBED C#CCOCCNS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 848930562 VLROCKOTNIRONM-UHFFFAOYSA-N 383.451 -0.051 30 20 GBED CO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 942531260 JECKPGIMOUUKLC-RAEVTNRLSA-N 375.429 -0.439 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(CC)nn1 960880047 HNJTWMRQESZKBI-SYAUCNOPSA-N 375.429 -0.059 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2cn(C)nc2Cl)C1 970631429 ZOMYPRRMEGTCNU-MQYQWHSLSA-N 382.848 -0.105 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 972411732 LTKUQPMEZZZGIO-TUVASFSCSA-N 390.440 -0.421 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nnc(O)nc1O 1006384494 PLQMETCJPXVOAK-JCIQBVFBSA-N 375.385 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N#Cc1ccc(OC2CN(C(=O)C(=O)N3CC[C@H](S(N)(=O)=O)C3)C2)cc1 1325093703 BTYKTBAPSIFDHB-AWEZNQCLSA-N 378.410 -0.963 30 20 GBED COC(=O)[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 1326005330 OCKCXHBMYMQAGL-BETUJISGSA-N 388.428 -0.683 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 1326598342 YDRHVQUSLZCWHI-PHODEOQFSA-N 398.423 -0.581 30 20 GBED CN(CCN1CCCCC1)C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1327509618 XHYZUOVSEWKGJG-FOCLMDBBSA-N 377.445 -0.427 30 20 GBED CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)[C@H](C#N)C1 1327876137 RASRDEVVVOCYAT-QWHCGFSZSA-N 386.474 -0.265 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3(C(=O)OC)C2)CC1 1336378957 OMWQBEBLQHBVMF-YWZLYKJASA-N 389.452 -0.224 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@H](C4OCCO4)C3)CC2)c1 1336419544 ATBCFBPJNZJAGL-HNNXBMFYSA-N 385.424 -0.177 30 20 GBED C=CCn1c(CN2CCC[C@@H](O)C2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1339598050 JOABWBKAHPNHGR-CVEARBPZSA-N 378.477 -0.238 30 20 GBED C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H]2CCN[C@H]2C1 1574937227 ULEOBHQDLFVUCR-CABCVRRESA-N 387.488 -0.109 30 20 GBED CCN(CCC#N)C(=O)CN[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1577909192 GVRQAOPDQPWHNO-HAQNSBGRSA-N 385.432 -0.193 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@H](N=c1cc[nH]c(-c2nn[nH]n2)n1)C(C)C 1588351313 OGGGVKCPRJOGRQ-KBPBESRZSA-N 383.460 -0.271 30 20 GBED C#Cc1cccc(NC(=O)NC(=O)Cn2c(O)ncc(-c3nn[nH]n3)c2=O)c1 1588375222 KWMFXOLBTQSLGX-UHFFFAOYSA-N 380.324 -0.541 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588503944 IGZPJYZAFAVJEM-BDJLRTHQSA-N 377.405 -0.929 30 20 GBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@H]1C 1602722546 XJWCMTAPSQBJOE-OCCSQVGLSA-N 384.444 -0.368 30 20 GBED C#CCOCCC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1602728520 ZWCWFDWQWPFHIL-ZDUSSCGKSA-N 387.400 -0.808 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2Cc3cccc(-c4nn[nH]n4)c3C2)C1=O 1602862238 GPGQAHOFDNFSCC-UHFFFAOYSA-N 381.352 -0.314 30 20 GBED N#Cc1cn(CCC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)c(=O)nc1O 1626578849 OAJISLRHLZIXEM-ZDUSSCGKSA-N 395.441 -0.763 30 20 GBED C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1648799875 UMQMBCZZOJOCEZ-WHOFXGATSA-N 398.510 -0.025 30 20 GBED N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCOC2)CCO1 1770752524 WOMVTODDMLWKCI-DYVFJYSZSA-N 376.417 -0.719 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778940901 YSZPOMIGPUQQTG-SJKOYZFVSA-N 379.417 -0.507 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(C)C(=O)CC1 1793784333 LQZXEPJAYBYNHT-ZJOBFFGXSA-N 390.440 -0.778 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1794008920 FEHKIATUDJYCLX-FQUUOJAGSA-N 376.413 -0.785 30 20 GBED C[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794091993 DUGZKPOPUSOERJ-YIYPIFLZSA-N 389.543 -0.327 30 20 GBED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)CN)C3)ccc1F 1799325845 VMJJXZZRWIGARZ-KPEUIFRASA-N 389.431 -0.885 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cnc(O)[nH]2)[C@@H]1c1cccnc1 1812879933 DQAJNHKODDKERO-MLGOLLRUSA-N 383.364 -0.082 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCOCC3)CCO2)C1 1835188002 QORUGABDSXKMNW-OXJNMPFZSA-N 394.468 -0.092 30 20 GBED CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1837237938 BDZMWGLSCFZHGI-QUGAMOGWSA-N 385.486 -0.095 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 1840040081 NJNZZZVHIQIUNL-GOSISDBHSA-N 391.355 -0.621 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(F)(F)F)C2)C1 1840041527 RVDBSEDCNYSASU-HNNXBMFYSA-N 392.330 -0.127 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1840157994 FKAPZCKSQPJQLE-GUYCJALGSA-N 380.470 -0.206 30 20 GBED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](C)S)CCO3)C2)CC1 1840164521 MHUVTGRUPFLMNV-WBMJQRKESA-N 386.470 -0.286 30 20 GBED COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840318368 CFXLBAPRJRYCRA-KRWDZBQOSA-N 382.417 -0.651 30 20 GBED NC(=O)CC[C@H](N)C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282393 LFMINMQLGXXDJR-HNNXBMFYSA-N 390.484 -0.519 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](CNC(C)=O)C2)c1 265545967 IKZXLTYCNZTFKU-HNNXBMFYSA-N 379.438 -0.425 30 20 GBED N#C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCO1 266805566 DQMYPOUINTXSRS-WCQYABFASA-N 378.410 -0.562 30 20 GBED C=CCc1ccc(OC[C@@H](O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)c(OC)c1 268983899 DWNZEGWXTUDHDN-HOTGVXAUSA-N 389.452 -0.194 30 20 GBED CCc1nnc(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(C#N)c1CC 272336538 WIWKYIRAYAEMFG-CVEARBPZSA-N 379.486 -0.247 30 20 GBED CNC(=O)[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCO1 272855159 RFENPWOZGWYHMT-RISCZKNCSA-N 380.426 -0.802 30 20 GBED CN(C)C1CCN(CC/N=C(/O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)CC1 330221628 RGHGQXLWWZZKDD-HNNXBMFYSA-N 375.539 -0.108 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)CC(=O)N1 349505835 SLVIZDHAFNCQDX-LLVKDONJSA-N 380.492 -0.910 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCc2cccc(C(=O)N3CCOCC3)c2)CCO1 409500787 KGZQVUJDYKNCRG-MRXNPFEDSA-N 394.453 -0.282 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCCCN2CCN(c3ccncc3)CC2)CCO1 409595479 QENAQCJHXJBACW-QGZVFWFLSA-N 394.501 -0.348 30 20 GBED COc1cc(CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)ccc1C#N 427152038 HFIGTFOBQFRFMB-UHFFFAOYSA-N 392.393 -0.147 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)C(=O)NCCc2ccccc2)C1=O 457258017 YHAFNIKRWAIURS-CYBMUJFWSA-N 386.408 -0.173 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1 485827146 ZUBVEEVGBCSWFS-CYBMUJFWSA-N 391.409 -0.745 30 20 GBED C[C@@H](C#N)CNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 537011747 MHQMJBNXTGJIEX-BBRMVZONSA-N 386.408 -0.085 30 20 GBED CCOC(=O)c1cnn(CCC#N)c1NC(=O)CN1C(=O)C(=O)N(C)C1=O 539006066 PODYQVIENIKLER-UHFFFAOYSA-N 376.329 -0.667 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 559866124 JWQFUHNLSXMISP-KRWDZBQOSA-N 393.517 -0.192 30 20 GBED CN1CCN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)[C@H](CN)C1 581937943 HFXRSMPAMMAKRG-CQSZACIVSA-N 388.447 -0.553 30 20 GBED C=CCNC(=O)NC(=O)CN1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C 591058559 KCNJKNDYWAZYMZ-NSHDSACASA-N 375.447 -0.561 30 20 GBED COC[C@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)C#N)cc1 594622700 XZJVUEOQCTVPBY-LLVKDONJSA-N 391.471 -0.447 30 20 GBED CC#CCN(C)C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 645940979 VWPZPRZJLWKJCU-UHFFFAOYSA-N 393.469 -0.417 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)CC1 728533462 JUFNGGZZQBPJBW-OAHLLOKOSA-N 396.451 -0.782 30 20 GBED COC(=O)CN(CC#N)C(=O)[C@@H]1CCC[C@H](C(=O)N(CC#N)CC(=O)O)C1 737605091 NVXAOXGBHDMZSM-QWHCGFSZSA-N 378.385 -0.245 30 20 GBED C#CCN1CCC[C@H]1COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 756544030 TXBXLULDFVGLJM-KBPBESRZSA-N 381.454 -0.207 30 20 GBED COc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc(OC)c1O 771892400 RHZRZTHMZPCUCY-UHFFFAOYSA-N 398.397 -0.881 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)Cn2nnnc2-c2ccsc2)CC1 843789894 AFFLSYMGHCCFHA-UHFFFAOYSA-N 387.469 -0.315 30 20 GBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1cc([C@H]2CCCO2)nn1C 848967138 RLHRLAAGWCKBHQ-CYBMUJFWSA-N 390.487 -0.044 30 20 GBED CON(C)C(=O)[C@@H](C)NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 862173546 HSACRGVEAQCTCJ-LLVKDONJSA-N 385.384 -0.090 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 862193076 SVTBWFLLAMSPNP-OAHLLOKOSA-N 377.445 -0.302 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 875599884 NCLKPVDBYOBEGI-HZPDHXFCSA-N 380.489 -0.410 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1 1024380561 NPWOCGAIKDRDRX-XOUADPBQSA-N 390.440 -0.304 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)COCC3)C1 1024401486 LWWHICRQKZKYKM-GBOPCIDUSA-N 376.413 -0.694 30 20 GBED Cc1cc(=N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2c2cncn2C)c(C#N)c[nH]1 1052750288 LXTIMEXWCFSWEZ-JYYAWHABSA-N 393.451 -0.055 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ncn(C)n2)cc1 1116440908 XVNOPSSLJWHYHB-UHFFFAOYSA-N 392.441 -0.124 30 20 GBED CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 1117248052 UXCQYOSABWCUNV-DGCLKSJQSA-N 380.426 -0.477 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 1117585931 ARTQHMKTYHMYNG-UHFFFAOYSA-N 388.490 -0.644 30 20 GBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1c1cncn1C 1131010161 CMMUDGBDHCLLPN-LHHMISFZSA-N 376.457 -0.242 30 20 GBED CN1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1323419595 IIUPABJGPOGKQX-XJFZTKQQSA-N 389.456 -0.428 30 20 GBED NC(=O)N1CC[C@@H](CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1330430425 HQGPVOCCUSNEEP-NSHDSACASA-N 379.442 -0.368 30 20 GBED CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C1 1332155042 GUCLTOAMIOZGGY-CYBMUJFWSA-N 380.426 -0.667 30 20 GBED O=C(CON=C1C(=O)Nc2cc3c(cc21)OCCO3)N[C@H]1CCS(=O)(=O)C1 1337122266 MTQDOJADSOPIEC-VIFPVBQESA-N 395.393 -0.566 30 20 GBED CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1 1343123237 RUCKDYJSRFEADF-ZDUSSCGKSA-N 380.426 -0.648 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H]1CCn2ccnc2C1 1343151795 YXVCFRWRVGCMJJ-KBPBESRZSA-N 394.439 -0.287 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCOC[C@H]3CCO)CC2)c(F)c1 1345873819 QHQJYGFYPWAWGW-OAHLLOKOSA-N 390.415 -0.044 30 20 GBED CC(C)N1CCN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1=O 1348365658 HQHQMPVZXURBCL-CQSZACIVSA-N 399.455 -0.535 30 20 GBED C#CCNC(=O)[C@@H](C)N1CCCC2(CN(C(=O)[C@H](C)OCc3cnn[nH]3)C2)C1 1574985893 ONEQOVSUNLXVOM-CABCVRRESA-N 388.472 -0.228 30 20 GBED C#CCOc1ccc(NC(=O)C(=O)NCCn2cnc(-c3nn[nH]n3)n2)cc1 1588362157 UTAJUNAESDCZPZ-UHFFFAOYSA-N 381.356 -0.775 30 20 GBED C=CCOCC(=O)N[C@H]1CCN(c2ncc(-c3nn[nH]n3)cc2F)C[C@H]1O 1588674045 HJALJYXTVKMILH-QWHCGFSZSA-N 377.380 -0.341 30 20 GBED O=C(C#CC1CC1)NCCCN1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 1592769888 ZXJUJDWLNPDOBZ-UHFFFAOYSA-N 381.444 -0.302 30 20 GBED C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)O 1593611815 VEAWUCPABFFPME-OSMZGAPFSA-N 386.364 -0.069 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O 1609494156 YGGUQDSYISJZOF-ACJLOTCBSA-N 394.395 -0.250 30 20 GBED C[C@H](C#N)C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1623708113 ULOJTSZVEWJQAN-CQSZACIVSA-N 393.469 -0.089 30 20 GBED CC(C)(CNS(=O)(=O)N1CCO[C@H](C#N)C1)[C@@H]1COCC12OCCO2 1663801324 MCFPGGXEAXZVLA-OLZOCXBDSA-N 375.447 -0.539 30 20 GBED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)N4CCOCC4)C[C@@H]32)C1 1783464014 MVOGEONZUISYJP-XPYUAMARSA-N 393.484 -0.417 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783562226 JNDVLSSQGVOKEV-QGZVFWFLSA-N 375.337 -0.976 30 20 GBED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1783680916 QMGJUBMZWHYXHF-RVMXOQNASA-N 391.428 -0.886 30 20 GBED COc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)n1 1785812102 DYCNETUDFYUXOJ-YDHLFZDLSA-N 387.392 -0.229 30 20 GBED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)NC(=O)OCC)C3)C1 1792441058 IKQNTYOIEWIRAD-FQLMCAECSA-N 381.429 -0.393 30 20 GBED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O 1795521708 GROUJLXHGXDNDR-XPCVCDNBSA-N 389.389 -0.487 30 20 GBED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O 1795531134 BSRSCJYTQNHKDF-CUZKYEQNSA-N 386.518 -0.877 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccc(O)nn1)CC2 1825663767 LIZRGPMWIJBVKR-MRVPVSSYSA-N 387.377 -0.048 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC3)C2)C1 1829773645 PMRVOVIBBVXVLZ-SFFCAUCYSA-N 377.441 -0.289 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CC)CCO2 1830510859 XMLHXQRGWJBZGU-VKRNSVOSSA-N 395.456 -0.928 30 20 GBED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1831213343 PQEGAGSGEDWZIE-FQEVSTJZSA-N 391.468 -0.812 30 20 GBED N#CCC(=O)NC1CCN(C2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1834400696 UXKYBUCZHHQCCT-UHFFFAOYSA-N 386.456 -0.271 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1835117773 XAORVFDROLVTFZ-KSSFIOAISA-N 397.497 -0.359 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1837393660 YNHUHXWYKKHBCM-LIRRHRJNSA-N 397.472 -0.848 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1840160703 PXDLRVJATWBZFE-IINYFYTJSA-N 396.412 -0.129 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1840166497 LOKUUQFBHLUEJC-KXBFYZLASA-N 379.457 -0.242 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)C1 1840227309 NPTURCHYUPYEID-YWZLYKJASA-N 391.468 -0.065 30 20 GBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1843008359 YODKBZMPBMFHGW-GFCCVEGCSA-N 384.396 -0.727 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)NCCCN2C(=O)CNC2=O)c1 264473673 OFFJQMBBWXCUHA-UHFFFAOYSA-N 380.426 -0.177 30 20 GBED CCn1c(=O)/c(=C/c2cnn(C)c2)s/c1=C(/C#N)C(=O)N1CCSCC1 264759145 HWXDWIBWFAWQAL-YJVMSHOXSA-N 389.506 -0.258 30 20 GBED C#CCNC(=O)[C@@H](C)On1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21 267464705 ULMZSBZWHQOJHX-GFCCVEGCSA-N 393.425 -0.981 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)cc1 270817209 IVUHNOFNBWEBIQ-CYBMUJFWSA-N 379.438 -0.737 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCCCN1CCC[C@H]1C(N)=O)c1cc[nH]n1 278042086 SFNRKUJLZSKGHR-KNKKCGMZSA-N 394.432 -0.851 30 20 GBED COc1cc(C#N)ccc1OCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 298764104 AGQLTCJGPWYMHZ-UHFFFAOYSA-N 385.384 -0.697 30 20 GBED CC(C)(C)n1ncnc1C/N=C(/O)N1CCN(C(=O)CN2CCOCC2)CC1 328765959 FEDYHPASNJJYOI-UHFFFAOYSA-N 393.492 -0.077 30 20 GBED Cc1cnccc1C/N=C(/O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 330261473 UGCZTPUQJJVFOF-UHFFFAOYSA-N 383.474 -0.001 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCOCC(F)(F)C1 349502170 QXABZOPTNDTLCT-NSHDSACASA-N 389.446 -0.153 30 20 GBED C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 410862581 GMTVAUNYNHKZOZ-UONOGXRCSA-N 392.431 -0.064 30 20 GBED C=CCNc1ncc(C(=O)N[C@@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)s1 433236020 PJLCTPNCTJOKPT-WDEREUQCSA-N 386.499 0.410 30 20 GBED CNC(=O)N[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 466394954 GIJDYIFQRHPMNV-DGCLKSJQSA-N 379.442 -0.245 30 20 GBED COC(=O)Cn1ncc2c(=O)n(CC(=O)NCc3cccc(C#N)c3)cnc21 518306382 HSZSHKYMCHOKSO-UHFFFAOYSA-N 380.364 -0.046 30 20 GBED CCOC(=O)c1ccc(N2CC(Nc3c(C#N)c(=O)n(C)c(=O)n3C)C2)nc1 543192822 OJSRZZQQEPWHDG-UHFFFAOYSA-N 384.396 -0.172 30 20 GBED COCCOCCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 565228119 GAENNUXRFRZBTJ-UHFFFAOYSA-N 391.471 -0.228 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N(CCO)C[C@@H](C)O)cc1 566469771 NLRBMBRTQZTQEW-NWDGAFQWSA-N 391.471 -0.759 30 20 GBED Cc1nc(=NS(=O)(=O)c2ccccc2S(=O)(=O)N[C@H](C)CC#N)n(C)[nH]1 594634441 QUGJFPTVLDACCC-SNVBAGLBSA-N 398.470 -0.073 30 20 GBED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NC[C@H]3COCCN3)CC2)cc1 599962549 RSABCKOJEAHBEB-SFHVURJKSA-N 385.468 -0.303 30 20 GBED N#CCc1cccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 619480630 GGBSQKLXJMBJSZ-HOTGVXAUSA-N 399.494 -0.471 30 20 GBED COC(COCCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)OC 789917998 UZVUUPZSHMXVHW-UHFFFAOYSA-N 385.442 -0.133 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)NC(=O)[C@H](C)n2cnc(C#N)n2)nc1 798847483 ZZLMAHPSTOQXCQ-VIFPVBQESA-N 378.370 -0.212 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCC1(O)CCC2(CC1)OCCO2 800079227 OOQATWPGPVTLMB-UHFFFAOYSA-N 377.463 -0.269 30 20 GBED C[C@@H](C#N)OCCOn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21 802726430 KHIVEDMNAGLRGV-LBPRGKRZSA-N 381.414 -0.191 30 20 GBED C[S@](=O)CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 810430397 BVFUCEYHVZMZQI-VWLOTQADSA-N 398.510 -0.641 30 20 GBED CCOC(=O)c1cnn2c(C(=O)Nc3nc(C#N)c(-c4nn[nH]n4)[nH]3)ccnc12 825571342 YWEFRSFEJVJXFI-UHFFFAOYSA-N 393.327 -0.067 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)O)c2)c(=O)n1CC=C 825687765 VNYOCYCFNVMHPX-UHFFFAOYSA-N 384.417 -0.073 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 831556722 SDTHCXFCLFFRDW-OAHLLOKOSA-N 396.513 -0.221 30 20 GBED COCCN(CC#N)CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 839084639 BFXVZRQRNDTRDU-GOSISDBHSA-N 389.412 -0.035 30 20 GBED C=CCn1cc(C(=O)N2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 944695618 UXLJROGSPCXFJS-SGAAXARDSA-N 387.440 -0.155 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 968448526 XTXVKNMRMYPRGH-UKMLZYKCSA-N 388.424 -0.537 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@H]2CC(=O)NC2=O)nc1 1004744849 OUMLTDFLDKDNHS-XOUADPBQSA-N 380.404 -0.023 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@H]1O 1023958564 PTKISLLDGNTYFG-MIGQKNRLSA-N 389.456 -0.175 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nc(O)nc2O)C1 1025285368 GCCNMYIARQZRPX-ZRJCITRHSA-N 392.412 -0.982 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(CC3CC3)nn2)C1 1025407512 HLLBTJFBCZSVJO-ABFRBSLYSA-N 389.456 -0.029 30 20 GBED CCOC(=O)CNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1118117821 BNJXGUHBSBRWFZ-GXTWGEPZSA-N 378.429 -0.287 30 20 GBED C#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 1129098115 FETGXDXPUBPUKX-OLMMMNRUSA-N 386.456 -0.672 30 20 GBED C#CCNC(=O)C1CCN(CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)CC1 1256696780 JGUZAGAHISUWME-MRXNPFEDSA-N 399.513 -0.890 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)CN1CCCC1=O 1319299271 MNLFIIQXXMQDRG-GXTWGEPZSA-N 394.453 -0.675 30 20 GBED C#CCOc1ccc(NC(=O)C(=O)NCC2(O)CCS(=O)(=O)CC2)cc1 1323361538 ORNNDXMJRGDVOJ-UHFFFAOYSA-N 380.422 -0.307 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC 1327798959 DRGZADVUCNKREH-CYBMUJFWSA-N 377.397 -0.231 30 20 GBED C=CCn1c([C@@H](O)COC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1339269533 ZZQPSVIAGHJRMV-AWEZNQCLSA-N 380.449 -0.282 30 20 GBED COCCNC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 1341786198 OMWVXOVHRSEDSO-AWEZNQCLSA-N 395.437 -0.366 30 20 GBED COC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)CCO1 1348227531 PDFYNXADUAEKGL-OAHLLOKOSA-N 387.396 -0.998 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@@H]2CCCSC2)CC1 1352393096 JREHJNNVVVNEHP-ZDUSSCGKSA-N 385.519 -0.594 30 20 GBED C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNCC)CC1 1574707440 SBPGCGSAXNAXHH-OAHLLOKOSA-N 380.518 -0.455 30 20 GBED C#CCN(C(=O)C(N)=O)C1CCN(C(=O)c2ccc(-c3cnn[nH]3)cn2)CC1 1574895520 VXLGLEWRELYUAS-UHFFFAOYSA-N 381.396 -0.582 30 20 GBED CN(CC(=O)NCC#N)C[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1579008463 WJPGOECYLCXILJ-LBPRGKRZSA-N 385.432 -0.239 30 20 GBED C#CCNC(=O)CN[C@H](C)[C@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588354777 ZAROAGUXFNBRRW-IUODEOHRSA-N 384.444 -0.083 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)CC2 1592677909 LVCILWCUNMBAJK-STQMWFEESA-N 383.416 -0.487 30 20 GBED O=C(CC#Cc1ccccc1)NC[C@@H](CO)Nc1ccc(-c2nn[nH]n2)nn1 1592802855 JFCZULVFTKPDHT-AWEZNQCLSA-N 378.396 -0.013 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)c(C(=O)O)c1 1601111544 AEXUMUOBNJSRRO-TZMCWYRMSA-N 379.394 -0.075 30 20 GBED CN1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@H](C(=O)O)C1 1610131637 BZUVVJWCAHBXCV-LLVKDONJSA-N 380.426 -0.800 30 20 GBED C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(Cc2nc(=O)n(C)[nH]2)CC1 1754638097 KXIRWRWMLIZLRO-OCABDXPQSA-N 385.468 -0.042 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1781392979 IADKHWYPKSVDPS-IGCXYCKISA-N 382.417 -0.274 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nnsc1C1CC1)CCO2 1783561932 QSXFNMDYHNTLKB-KRWDZBQOSA-N 390.421 -0.053 30 20 GBED C[C@H](Nc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783562985 UZCXJGOUNDHKGJ-IFXJQAMLSA-N 386.408 -0.200 30 20 GBED CS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1786648863 DFKBFWUOEGVRBG-IHRRRGAJSA-N 383.470 -0.295 30 20 GBED Cc1nc(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)o1 1791076787 IMOQSXWRARPYHG-IHRRRGAJSA-N 375.381 -0.027 30 20 GBED C[C@@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792559222 PVLKPWLMBPAHMT-UEILYKACSA-N 384.436 -0.175 30 20 GBED C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797837171 RFLWDMDLNDKTDN-UBUHRGNXSA-N 390.440 -0.200 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSC(=N)N)C2 1799304920 IZCVYDDRJIVXSC-JJLQDPRZSA-N 398.485 -0.288 30 20 GBED COC(=O)NCC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1813269295 QMVJWDOGTFAWPK-DYVFJYSZSA-N 388.380 -0.469 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)C1 1829667078 UDERDDLVYUCEOR-DNVCBOLYSA-N 377.441 -0.312 30 20 GBED Cn1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cn1 1830064616 OTMVEOBXODWMJM-IBGZPJMESA-N 389.456 -0.031 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)OCC#C)CCO2 1831388447 SPNIUPPREHFPTQ-HLIPFELVSA-N 392.452 -0.481 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1831393042 JGGACBCDQFLBMS-KXBFYZLASA-N 390.440 -0.553 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1832451971 MXAABZBRZIFTCA-QGZVFWFLSA-N 395.485 -0.346 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1835126857 ATGGWLNEDUBKPN-HNAYVOBHSA-N 377.441 -0.475 30 20 GBED COCC(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837561663 ZXPUIJOAAZFTKS-ABQTWSPHSA-N 379.413 -0.199 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2 1839874341 WNVWFCBTASJXQM-KDOFPFPSSA-N 399.513 -0.113 30 20 GBED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)CC1 1839898484 BNRINVXYOSXSSP-LRDDRELGSA-N 386.470 -0.286 30 20 GBED CCc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)co1 1840042184 GBMQWEIBXSFHNO-SFHVURJKSA-N 391.380 -0.605 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccoc3)C2)C1 1840044126 MINGKBKMQBHCCM-IBGZPJMESA-N 390.392 -0.243 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1840164089 XUFRAMOAKNOLCU-HEHGZKQESA-N 383.474 -0.386 30 20 GBED C[C@@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1(F)F 1840829879 UFCHDASVBGKJMK-JKSUJKDBSA-N 386.351 -0.424 30 20 GBED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842807935 IGMPJAGSLWAPSX-CQSZACIVSA-N 377.397 -0.012 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)c1 25025693 JFJHYBFXIPOYIX-AWEZNQCLSA-N 393.421 -0.898 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCNC(=O)c2ccc(C)c(F)c2)C1=O 116294470 WYZDTKVSGCBZLS-UHFFFAOYSA-N 390.371 -0.043 30 20 GBED C[C@@H]1CN(S(=O)(=O)N2CCN(C(O)=Nc3cnn(C)c3)CC2)C[C@@H](C)O1 329480029 VIGNKRWERLUNQA-CHWSQXEVSA-N 386.478 -0.063 30 20 GBED N#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccnnc2)CC1 349519528 IJEGTSVSEKPWEO-UHFFFAOYSA-N 388.475 -0.921 30 20 GBED C=CCNC(=O)Cc1noc(-c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)n1 350696349 VITANFCEHXCADM-UHFFFAOYSA-N 381.414 -0.070 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(CC3CCOCC3)CC2)C1=O 410882537 IWEBBSHPEZTZMR-KRWDZBQOSA-N 392.500 -0.198 30 20 GBED N#Cc1ccc(OC2CN(C(=O)C(=O)N3CCN([C@@H]4CCNC4)CC3)C2)cc1 423564509 OWAKVFBULAHACT-MRXNPFEDSA-N 383.452 -0.346 30 20 GBED CCOC(=O)Cn1cnc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)n1 425734774 DTQBMWFGSQPFLS-UHFFFAOYSA-N 386.368 -0.153 30 20 GBED CCOC(=O)[C@]1(COC)CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 499705440 JYELKDAROMITAC-DZGCQCFKSA-N 375.447 -0.253 30 20 GBED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(C)c1=O 505655131 BAFDTZGXTOLTOD-GFCCVEGCSA-N 387.465 -0.713 30 20 GBED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)nc1 551194310 RZZAFCPZUJELIH-CYBMUJFWSA-N 377.426 -0.082 30 20 GBED CN1CCN(C(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1=O 568958667 GOHYLQKRIPZDJH-UHFFFAOYSA-N 383.452 -0.107 30 20 GBED C[C@@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)S(C)(=O)=O 574595186 XULFNZJKKVHPCE-GOEBONIOSA-N 392.481 -0.228 30 20 GBED CN(C)CCn1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)n1 582680688 LMHWMIKCVXPTPF-UHFFFAOYSA-N 396.455 -0.001 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)COc1ccc(C#N)cc1 588831512 YQRGSCDBZGHMAQ-OAHLLOKOSA-N 375.381 -0.156 30 20 GBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 593687100 FUVYHMUTPXTIDB-ZIAGYGMSSA-N 384.396 -0.006 30 20 GBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)NC(=O)NC2CCCCC2)CC1 728573626 SNSHDJAXSGGMAE-HNNXBMFYSA-N 377.489 -0.100 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1 728590222 XTJXCXUPLWSMHG-UHFFFAOYSA-N 389.433 -0.151 30 20 GBED C[C@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(CN2CCOC[C@H]2C#N)C1=O 736224667 UQISNXYQAXNMIR-CXAGYDPISA-N 382.384 -0.184 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CC(=O)N(C)C 763459560 AZBVURKAUIKBIY-UHFFFAOYSA-N 399.476 -0.858 30 20 GBED C=CCS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 772721657 WBOJVLLRNNHIPL-UHFFFAOYSA-N 387.439 -0.947 30 20 GBED C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1)[C@@H]1CCCO1 775330212 PWJLHWAVVVCEJR-KGLIPLIRSA-N 399.494 -0.041 30 20 GBED CCOC(=O)CN(C)C(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 781898891 RHJSENPJAMZXLI-UHFFFAOYSA-N 397.409 -0.599 30 20 GBED C[S@@](=O)CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 805000301 QQGFOIULYNXPTR-RMKBEBRYSA-N 376.438 -0.730 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2nn(C)cc2Br)CC1 814628924 FUSCPHLVCVKTBL-UHFFFAOYSA-N 376.280 -0.232 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2ccc(F)c(-c3nn[nH]n3)c2)c1=O 819758941 JVNGJSUAKCAVTG-UHFFFAOYSA-N 385.359 -0.089 30 20 GBED CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)CC(=O)N(CCC#N)CCC#N 821600337 IKDGQZZLIMVIAN-UHFFFAOYSA-N 385.436 -0.308 30 20 GBED C#CC[C@H](NC(=O)c1ccc(C(=O)N[C@H](CC#C)C(=O)OC)nc1)C(=O)OC 837948577 WZRPJXSTKGIPTC-LSDHHAIUSA-N 385.376 -0.329 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 898141009 VWSFRKWYURHGHL-ZWKOTPCHSA-N 394.516 -0.556 30 20 GBED C=CCNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 914667369 ACBXVQDSSKFOHJ-LBPRGKRZSA-N 395.437 -0.345 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1OC 946822356 QUSVUOBYASTWAG-REBRKWNGSA-N 376.413 -0.340 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(-c3ccncn3)no2)C[C@H]1O 1077698972 JNNJXDMVJZFCOI-NGFQHRJXSA-N 386.412 -0.221 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COC[C@@H](C)N1CCCC1 1111038422 AGIRPSJJJUCFQK-TVFCKZIOSA-N 376.501 -0.042 30 20 GBED CC(C)[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N)N1CCCC1=O 1111502460 HGKGSDPFUSUCGK-ZXFNITATSA-N 375.473 -0.005 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)NC1CCN(CCS(C)(=O)=O)CC1 1116916543 SUPUIBHXZGTMFP-CYBMUJFWSA-N 380.536 -0.189 30 20 GBED COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)NCCCC#N)c1 1117368869 GSQOSRBAVNENJZ-UHFFFAOYSA-N 382.442 -0.353 30 20 GBED CN1CCN(C(=O)c2ccc(NC(=O)Cn3cc(C#N)c(O)nc3=O)cc2)CC1 1142289911 OULTTZFPCMWJGY-UHFFFAOYSA-N 396.407 -0.153 30 20 GBED C=CCN(CCOC)C(=O)C(=O)NCCNS(=O)(=O)c1cccs1 1261167766 XBNOQUOMGUGUKM-UHFFFAOYSA-N 375.472 -0.196 30 20 GBED COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CCS(C)(=O)=O 1316101576 NBBMZSQDNDSLPW-GFCCVEGCSA-N 384.462 -0.360 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 1320859106 BYOSBHYEZVOOBL-YPMHNXCESA-N 385.467 -0.224 30 20 GBED CNS(=O)(=O)c1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 1322655624 WWUFAFXKKQKSPI-JQIJEIRASA-N 378.410 -0.149 30 20 GBED C[C@H](C(=O)Nc1ccccc1C#N)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 1324657197 MVPJHCFRCNSDDM-COXVUDFISA-N 392.481 -0.339 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2csc(N(C)C)n2)CC1 1328970529 ARYFCYNJRRSLPA-UHFFFAOYSA-N 377.470 -0.187 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3cccnc3)CC2)CCN1C1CC1 1329384941 XFHWCSLRPUPOIX-GOSISDBHSA-N 382.468 -0.075 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 1330772421 AYGMYPWNKVPVAO-ZFWWWQNUSA-N 385.486 -0.280 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CC1 1332377106 MXTLZKTVSJJLHL-HNNXBMFYSA-N 378.473 -0.661 30 20 GBED N#Cc1cn(CC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(=O)nc1O 1445877314 IHZLXVYTBULTKG-WBVHZDCISA-N 397.435 -0.180 30 20 GBED C#CCN(CC#C)c1nnc([C@@H]2COCCN2)n1C[C@@H]1CCS(=O)(=O)C1 1574621973 GPPQJWGSPNXWSX-GJZGRUSLSA-N 377.470 -0.554 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](NCC(=O)NCc1cnn[nH]1)C1CC1 1575053911 NMBAYQQOYOUFGY-ZOBUZTSGSA-N 376.461 -0.114 30 20 GBED C#CCN(C(=O)N[C@@H]1CCCCN(CC(=O)O)C1=O)[C@H]1CCS(=O)(=O)C1 1588396777 ZQJKOIOYIZSBRR-QWHCGFSZSA-N 385.442 -0.716 30 20 GBED C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)O)C1 1602925099 PKVOHOVLCYFQRG-RYUDHWBXSA-N 397.457 -0.259 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(-c4nn[nH]n4)c3C2)CCN1C1CC1 1606345239 GLFFFFNKYOISAI-CQSZACIVSA-N 392.423 -0.092 30 20 GBED C=CCCCNC(=O)C(=O)N1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C 1609055038 NSNGZXURAQZEPW-LBPRGKRZSA-N 385.432 -0.224 30 20 GBED CCS(=O)(=O)N(C)C1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1628745951 JSDZXKXXZYXZCP-UHFFFAOYSA-N 397.457 -0.517 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)c1 1780332937 JTGFVEAKCPVOOE-LJQANCHMSA-N 385.424 -0.048 30 20 GBED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H](NC)C(=O)O)C2 1783164608 NUPKKQXWCNZHJA-SPYBWZPUSA-N 379.457 -0.024 30 20 GBED COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(O)c1 1783565698 OZEWESOGRCUJEB-LJQANCHMSA-N 388.376 -0.068 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(CO)on3)[C@H]2C1 1789377338 XHSAIWXDYMOUGS-HPZZRFSDSA-N 391.424 -0.202 30 20 GBED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@](C)(O)CC(=O)O)C[C@@H]21 1791266941 MUYCAIOHGMQZTP-KEKQHROYSA-N 388.486 -0.100 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1 1793419001 CFLKXZNSAXIXMT-XFMPKHEZSA-N 395.412 -0.806 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(N)=O 1793432368 PSYOZSZEVZLVJE-DPYKFYPSSA-N 395.456 -0.403 30 20 GBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCNC2=O 1794973859 AHMNRFKIIXLJPQ-FVCICTRLSA-N 385.424 -0.757 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2ncccc2n1 1797038878 BDGUGMHKFQRBMB-AFIMGQEJSA-N 397.435 -0.029 30 20 GBED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OCC)C2 1800490145 LLKUQQNTVDGTCL-XYFZXANASA-N 383.445 -0.147 30 20 GBED N#CCC(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1806280335 XHTNBPLKCCGJIU-CZUORRHYSA-N 395.356 -0.274 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1830051104 XBIUXWGZHGRVHS-KUHUBIRLSA-N 392.456 -0.481 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1831424487 KLKLSLDCXOTOPR-GJYPPUQNSA-N 379.457 -0.438 30 20 GBED N#CCC(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1834398482 XVKDMAPESMBMTH-UHFFFAOYSA-N 388.428 -0.013 30 20 GBED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835312422 XEVDGJVDIAKDQH-OXQOHEQNSA-N 391.468 -0.085 30 20 GBED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CN)CCO3)C2)c1 1835551367 YYFZWIKJHUOIMG-IBGZPJMESA-N 388.424 -0.404 30 20 GBED Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1835623236 YBTBHYAAWLECIM-KRWDZBQOSA-N 377.401 -0.061 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)OC)CCO2 1840209854 AZADHZGMBPVQQG-HNAYVOBHSA-N 398.456 -0.013 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840233560 VGNAYCXIABNIBG-DCGLDWPTSA-N 385.486 -0.713 30 20 GBED CS(=O)(=O)c1cncc(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)c1 1846194991 PDBPCODUQDJHMA-UHFFFAOYSA-N 391.405 -0.610 30 20 GBED N#Cc1cc(S(=O)(=O)N2CCN(CC(=O)N3CCOCC3)CC2)ccc1F 264048522 HHMPFGVDZNDRRT-UHFFFAOYSA-N 396.444 -0.138 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)COc2ccccc2)CC1 264117058 QGCPBDOIBWXFQH-UHFFFAOYSA-N 386.452 -0.535 30 20 GBED N#C[C@H]1COCCN1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 266871576 QGNHDJVFLBLCON-HNNXBMFYSA-N 394.453 -0.130 30 20 GBED COCCCS(=O)(=O)NCC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 269356247 JIVRIZBGFSXGEQ-CYBMUJFWSA-N 396.473 -0.659 30 20 GBED N#Cc1ncn(CCNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)n1 286116550 GPVXFXSTLYTUSS-SFHVURJKSA-N 379.380 -0.341 30 20 GBED C=CCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@H]1CCS(=O)(=O)C1 328799091 GVRMTYMEBXQYNU-NSHDSACASA-N 392.437 -0.553 30 20 GBED CS(=O)(=O)N1CC[C@H](C/N=C(/O)N2CCN(CC(F)(F)F)C(=O)C2)C1 329225029 FWLPWNBNQUUPQU-SNVBAGLBSA-N 386.396 -0.112 30 20 GBED C=CCOC[C@@H]1NC(=O)N(CCS(=O)(=O)NC[C@@H]2CCCCO2)C1=O 348578471 WNXGCSGWOKLHFZ-STQMWFEESA-N 375.447 -0.402 30 20 GBED C[C@]1(O)CCCN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N)CC1 349478085 RSBWKBDHENLZKY-AWEZNQCLSA-N 392.503 -0.378 30 20 GBED O=C(NCC#Cc1ccccc1)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 419113218 KZCIDUDMIODBOF-SFHVURJKSA-N 382.464 -0.175 30 20 GBED CN(C)CCOCCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 441842297 DGBGSZPWETWJHB-UHFFFAOYSA-N 388.403 0.516 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@](C)(O)CN2CCOCC2)cc1 467498038 AOOKJFPZCMFIPN-GOSISDBHSA-N 397.497 -0.036 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)Cn3ccnc3)CC2)c1C#N 514955687 BLIYXUFNQJPZOI-CYBMUJFWSA-N 384.444 -0.350 30 20 GBED CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccc(C#N)cc1OC 545296358 LTQJMHXNIWUZER-ZDUSSCGKSA-N 387.396 -0.641 30 20 GBED COc1ncc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1C(N)=O 567204414 LWKYEZYZPQPHPS-UHFFFAOYSA-N 389.393 -0.022 30 20 GBED CC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1 580347310 RKFWOXWBOBWSCB-LBPRGKRZSA-N 386.455 -0.612 30 20 GBED CC(C)(C(N)=O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 589438215 CQFHFIWFCMPGFO-UHFFFAOYSA-N 393.469 -0.755 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2cn(C)nn2)cc1 594617144 MMIUNVGACHCTOQ-NSHDSACASA-N 398.470 -0.174 30 20 GBED N#Cc1sccc1N1CCN(C(=O)NCCOCCS(N)(=O)=O)CC1 596622458 FXBQOGKZFSBKJO-UHFFFAOYSA-N 387.487 -0.244 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)C1=O 661015398 JHYJMKGJMREMHA-DLBZAZTESA-N 391.516 -0.530 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 728531644 MGSBWHOGKLFART-QGZVFWFLSA-N 389.500 -0.192 30 20 GBED CCOC(=O)N1CCC[C@@H](C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 732908184 HUFDPQMNQJVBMR-CHWSQXEVSA-N 385.442 -0.179 30 20 GBED CNC(=O)NC(=O)COC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745495248 GEFHIKACXOWAJX-VIFPVBQESA-N 382.398 -0.498 30 20 GBED C#CCOc1ccc(NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1 749758121 BUAZBEDTWUZHMJ-UHFFFAOYSA-N 394.453 -0.930 30 20 GBED C[C@H](CC(=O)NC[C@@](C)(O)CN(C)C)/N=C1/NS(=O)(=O)c2ccccc21 752483324 ZPQPCHRRRUPALC-SJKOYZFVSA-N 382.486 -0.068 30 20 GBED Cn1cc(S(=O)(=O)NN=C2CCc3c(F)cc(F)cc32)c(=O)n(C)c1=O 752734456 IGMICRXZCLPXNI-UHFFFAOYSA-N 384.364 -0.009 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2ccc3c(c2)ncn3C)c(=O)n(C)c1=O 761267438 RSXMCZXKUZYJHQ-UHFFFAOYSA-N 376.398 -0.717 30 20 GBED C[C@@H](NC(=O)CON=C(N)c1ccc(CN2CCOCC2)cc1)C(=O)N(C)C 762725062 NACXPDBGCODPSR-CQSZACIVSA-N 391.472 -0.251 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)O1 774833308 RIHKUBMUIFXRCF-AAEUAGOBSA-N 394.453 -0.523 30 20 GBED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)NCC#N 804821514 QBMRKRFWGGJZKK-CYBMUJFWSA-N 391.453 -0.104 30 20 GBED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H]2CCCN(O)C2=O)[C@H](C)O)cc1 820475958 DESXBXQHMMWCRT-YUTCNCBUSA-N 385.442 -0.481 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCN1C(=O)N[C@@H](C)C1=O 837582584 STODEPRMOSVOOT-QWRGUYRKSA-N 394.409 -0.291 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)cc1 846398435 HACJVZBWQQSLRB-ZDUSSCGKSA-N 385.467 -0.638 30 20 GBED C/N=C(/NCCN1CCOCC1)NC[C@@H](O)CN1CCc2ccccc2C1 849059999 BWNMMNVOLTXLKE-LJQANCHMSA-N 375.517 -0.097 30 20 GBED CCOC(=O)CON=C(C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1)c1cc[nH]n1 855681259 QUFXGXQRKJUHQM-NWDGAFQWSA-N 377.401 -0.179 30 20 GBED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 919073017 RPBARUFHKNWDBE-MCIONIFRSA-N 399.469 -0.427 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(O)nn2)C1 961373864 JRUPZJMTMCJUQJ-AEIGPULVSA-N 376.413 -0.145 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(CCOC)c2)C[C@@H]1O 964476079 HDLNKCHEPVKZOH-YVSFHVDLSA-N 392.456 -0.188 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CC(=O)NC2=O)nc1 1004742708 QGIHJIAQIPNKEB-YUELXQCFSA-N 381.392 -0.524 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@H]1O 1023957810 BAFILLDZEISEFZ-XOUADPBQSA-N 390.440 -0.593 30 20 GBED N#Cc1ccc(N2CCNC(=O)CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)nn1 1039673661 YQLNPLGJZAQIKG-LCEIHVTHSA-N 396.451 -0.073 30 20 GBED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N 1092922468 VBSBMYSEVRWDOB-OPDFLTKYSA-N 378.458 -0.098 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1(S(C)(=O)=O)CCC1 1109909767 MIDFEBTYJNVNSX-XGUBFFRZSA-N 381.498 -0.187 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1COCCN1CCCC 1110857444 BAYZUAPFAAOLQT-ZJPYXAASSA-N 376.501 -0.042 30 20 GBED C[C@@H](C[S@@](C)=O)NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1117570748 GHLODOBTJAUXIQ-GWQKEKGPSA-N 377.470 -0.079 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@@]2(CCN(C)C2)C1 1117967589 ABYKAHNKAWWAEL-MGPUTAFESA-N 397.483 -0.060 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@]2(C)CCO[C@H]2C2CC2)CC1 1120051675 BJVUYXUXDKCGFW-RDJZCZTQSA-N 384.502 -0.014 30 20 GBED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCc2cccc(C#N)c2)cn1 1319812356 VSMFOSFLFYHSCO-UHFFFAOYSA-N 397.439 -0.313 30 20 GBED CN(C)[C@]1(CNC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCSC1 1323184663 KNBHLXMTYNGWDI-NJWFCXLTSA-N 395.485 -0.818 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)CC1 1334489158 OVRDCFPJTLHNHR-UHFFFAOYSA-N 380.489 -0.415 30 20 GBED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)CC1 1348131769 ZEWOMZJJKLRGHH-IFXJQAMLSA-N 375.473 -0.050 30 20 GBED C=CCn1c([C@@H]2COCCN2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1574954407 MNJRAMJVFQRXLP-HNNXBMFYSA-N 391.476 -0.301 30 20 GBED C#CCNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)CCCCc2cnn[nH]2)CCCO1 1575004296 DFYVYDGXIROMPX-WBVHZDCISA-N 390.488 -0.138 30 20 GBED C=CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575104816 WXEGMHBOARRCOJ-HOTGVXAUSA-N 375.477 -0.396 30 20 GBED CCN(CCC#N)C(=O)CN[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1577909037 CTSXBERQQCUYQO-CYBMUJFWSA-N 385.432 -0.239 30 20 GBED C#CCN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CCN([C@@H](C)C(=O)NC)CC1 1588348748 KVWADSPTMAQPAX-LBPRGKRZSA-N 384.444 -0.131 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(c3ncccc3-c3nn[nH]n3)C[C@@H]21 1588351149 GSSPQNVNRLAFLA-XUWVNRHRSA-N 378.440 -0.090 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588351451 VANCLTQIHVNNIS-WFASDCNBSA-N 382.428 -0.377 30 20 GBED C=CCNC(=O)NC(=O)Cn1cc(Br)cc(-c2nn[nH]n2)c1=O 1588658528 OSJVJHBUZBXTFR-UHFFFAOYSA-N 382.178 -0.197 30 20 GBED C=CCOCC(=O)N1CC2(C1)CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)CCO2 1588666634 IGXBUZCPFYRXLQ-UHFFFAOYSA-N 387.400 -0.549 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCCN(CC(=O)O)C3=O)CC2)c1C#N 1594483462 QPWYAHQROXELCS-ZDUSSCGKSA-N 388.428 -0.428 30 20 GBED O=C1CC(C(=O)N2CC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)=NN1 1778937662 ISIMUSCSIRFNEJ-HXUWFJFHSA-N 380.404 -0.256 30 20 GBED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1779322238 HFSFTUQWUREBEM-DNVCBOLYSA-N 392.456 -0.339 30 20 GBED C[C@@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1781248239 UOTWDENSEVRFDS-OYABHWKLSA-N 379.461 -0.578 30 20 GBED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782783724 JOYHYTZXHNIDHI-KRWDZBQOSA-N 389.368 -0.500 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)nn3)[C@H]2C1 1785843803 IOCMYMSRTPLKOQ-YXWQFLTLSA-N 388.424 -0.186 30 20 GBED CC[C@@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1787405606 QWYBUEYYRPTVBO-JONQDZQNSA-N 376.457 -0.174 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nncn4c3)[C@H]2C1 1788376300 HSTXRYQDJYWEIS-KKUMJFAQSA-N 397.391 -0.589 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2 1793823060 NLHNFKSJONHIOQ-ZSBFGKGUSA-N 392.481 -0.248 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C2 1799389813 RZJIBFMLIPDGQW-YMSVYLFOSA-N 382.461 -0.112 30 20 GBED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CNC(=O)O2)n[nH]1 1815279045 AVGGNDBGXBRRCI-MNOVXSKESA-N 375.341 -0.402 30 20 GBED CC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1830519492 OGYXIUHYGIZUJA-DNVCBOLYSA-N 396.488 -0.504 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)C(C)(C)C)CCO2)C1 1830616080 FZRSOQRZOAQMOQ-QINHECLXSA-N 396.484 -0.112 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833278881 LBKVVMSYIDDNRE-DYVFJYSZSA-N 381.454 -0.292 30 20 GBED Cc1nccn1CC(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835362616 PQHOTYMVGJLCQE-GOSISDBHSA-N 375.429 -0.048 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN(C)C)CCO2)C1 1835381562 SRRHGUBHDFQNTA-APWZRJJASA-N 381.473 -0.567 30 20 GBED N#Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CN)CCO3)C2)ccc1F 1835551361 HCGCFCYTBYJNCA-IBGZPJMESA-N 390.415 -0.345 30 20 GBED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)CN)CCO2)C1 1836489637 NOBNDQWDSDQORR-BXWFABGCSA-N 380.489 -0.503 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839862282 WIOSXOYHSFEEST-KRWDZBQOSA-N 385.486 -0.373 30 20 GBED CC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040023 LXOBLJZZNQOZCH-SFHVURJKSA-N 380.397 -0.854 30 20 GBED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1cccc1 1840043927 CHFMSYIKJPDCJE-KXBFYZLASA-N 389.408 -0.407 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cccnc1C(N)=O)C2 1841054169 SHCJBCJXFINXCC-SREVYHEPSA-N 397.435 -0.144 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)CC)C1 1841583306 FGQBOTDPYRCPLY-SREVYHEPSA-N 383.470 -0.517 30 20 GBED C#CC(=O)N1CC2(CCCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1847089370 TUGINBYVOHBZQC-LBPRGKRZSA-N 378.429 -0.408 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNCP(=O)(O)O 1847813086 VIJIWSUZLFBWBM-AGIUHOORSA-N 375.362 -0.496 30 20 GBED C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(=O)NC1CC1 24907331 YZKOWRXFHIKJLH-JTQLQIEISA-N 394.409 -0.244 30 20 GBED COCCN1C(=O)C[C@@H](C/N=C(\N)N2CCOCC2)[C@@H]1c1cnn(C)c1C 277411183 OUYUUHZAFDONML-WMLDXEAASA-N 378.477 -0.089 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)NCCOCCS(N)(=O)=O)c1 288196962 KIUOFDAVSGUMCN-UHFFFAOYSA-N 391.471 -0.814 30 20 GBED C=CCOCCN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 292902583 WETRUBWWTPYUQO-UHFFFAOYSA-N 389.499 -0.157 30 20 GBED CC(C)(C)OC(=O)N1CCN(/C(N)=N/CCOCCS(C)(=O)=O)CC1 304787449 IWARCFVONRHHPS-UHFFFAOYSA-N 378.495 -0.085 30 20 GBED CS(=O)(=O)N1CC[C@H](C/N=C(/O)N[C@H]2CCN(CC(F)(F)F)C2=O)C1 328840340 YZUPQPROXOFHKJ-ZJUUUORDSA-N 386.396 -0.065 30 20 GBED CN(C)C[C@H]1CN(C(O)=Nc2cnn(CC(=O)N3CCOCC3)c2)CCO1 329203070 YIINHPWIFIHSDQ-HNNXBMFYSA-N 380.449 -0.450 30 20 GBED C[C@H]1CS(=O)(=O)C[C@H]1/N=C(/O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 329660394 OBXUIWZXQGKJRQ-YNEHKIRRSA-N 379.504 -0.167 30 20 GBED N#CC[C@@H]1CC[C@H](NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 331626171 MRGCYTZMLCIGTL-GJZGRUSLSA-N 377.445 -0.219 30 20 GBED CN([C@H]1CCNC1=O)S(=O)(=O)c1ccccc1S(=O)(=O)NC1(C#N)CC1 349449303 KQAYPRJFUIIDEY-NSHDSACASA-N 398.466 -0.470 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@@H]3OCCC[C@H]32)CC1 349544879 PWMUIKHFQZHMEB-XQQFMLRXSA-N 377.488 -0.161 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 372848744 JAWKOTLWXGQKFE-ZIAGYGMSSA-N 390.506 -0.241 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)NCCNS(=O)(=O)c1cccnc1 409518351 MECKBKVYBPDEOQ-GFCCVEGCSA-N 375.476 -0.324 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 451669123 UGFYKAPZRFSVKU-ZDUSSCGKSA-N 381.524 -0.427 30 20 GBED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(CC#N)CC2)c1 474129391 QJTILEUGTYGAPN-UHFFFAOYSA-N 393.469 -0.666 30 20 GBED CC[C@@H](C)[C@H](NC(=O)Cn1cnc(C#N)n1)C(=O)NCCN1CCOCC1 495000942 YJMOWVTVUJITDH-CJNGLKHVSA-N 377.449 -0.871 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1 508993904 CEHANMMSSNSKDP-UHFFFAOYSA-N 395.441 -0.588 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCc2ccc(C#N)cc2)c1=O 514542135 NONGKTIKPJWLQT-UHFFFAOYSA-N 381.392 -0.268 30 20 GBED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CC(N)=O 532140072 DGQPZBFFCBOSCJ-UHFFFAOYSA-N 399.476 -0.482 30 20 GBED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)NC)C1 555221527 VWYPNAPCJYXOQH-NEPJUHHUSA-N 385.494 -0.028 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)CC1 569808369 SXSOUOMKFRGADL-KRWDZBQOSA-N 383.452 -0.250 30 20 GBED CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 574674425 ULQVWHLWFZBJPY-GJZGRUSLSA-N 384.440 -0.367 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 576829025 SRNDLYVJISPXFM-CHWSQXEVSA-N 393.473 -0.398 30 20 GBED N#Cc1cccc(NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)n1 583629964 YFCLTCNGKQJWHF-GVARAGBVSA-N 379.376 -0.185 30 20 GBED CCNC(=O)CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 594623671 UKUUSWZXDDBYST-NSHDSACASA-N 388.471 -0.366 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)CC1 595974587 GUBAOZLYOVDQMJ-GFCCVEGCSA-N 378.410 -0.420 30 20 GBED Cc1nsc(N2CCN(C(=O)c3cnn(C[C@@H](O)CO)c3)CC2)c1C#N 597669247 PMZTUEVBUIGZGH-CYBMUJFWSA-N 376.442 -0.165 30 20 GBED Cc1ccc2ncc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)n2c1 755803837 JKKJQGUVUCMWEF-UHFFFAOYSA-N 376.398 -0.647 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(C)COc3ccccc3O2)CC1 831585463 VPFRHDKRZZPKTG-KRWDZBQOSA-N 379.438 -0.172 30 20 GBED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCNCC2)cc1 841144518 IZEPTMVESHMMDI-HKWRFOASSA-N 393.469 -0.130 30 20 GBED Cn1c(=O)c2ccc(C(=O)OCC(=O)N[C@](C)(C#N)C3CC3)nc2n(C)c1=O 913373939 GUKZUZMSIKVXHY-GOSISDBHSA-N 385.380 -0.403 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@@H]1O 964193988 SVGHPEMDDBCOKD-DFGXFYAUSA-N 392.456 -0.142 30 20 GBED C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)CC1 1024911815 SIBIHKDHRMQDAA-NTZUZEMLSA-N 389.496 -0.165 30 20 GBED C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCC[C@@H](C(N)=O)C1 1110385407 ZCDRZGBITQAUCS-FPCVCCKLSA-N 378.473 -0.366 30 20 GBED C[C@@H](COCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N)N1CCCC1 1111036955 BQCCUKYJAKGDHW-HZMVEIRTSA-N 377.489 -0.151 30 20 GBED CC(C)NS(=O)(=O)CCNC(=O)C(=O)NCc1cccc(OCC#N)c1 1117332288 FAAZESLBGCCIJF-UHFFFAOYSA-N 382.442 -0.351 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCc1nc([C@H]2CC[C@@H](CNCC(=O)NC)O2)n[nH]1 1130806683 ILDOUWWNRXWRIE-RFQIPJPRSA-N 392.460 -0.432 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 1261227453 UYKCOOSGVCHARA-FQEVSTJZSA-N 380.404 -0.158 30 20 GBED N#CCN1CCC[C@@H](CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 1318920916 XTZPRYBNBVITMD-UONOGXRCSA-N 395.485 -0.496 30 20 GBED C#CCSCCNC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 1323045906 XGGZUQRVAZHXCA-UHFFFAOYSA-N 389.524 -0.033 30 20 GBED CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(OCC#N)cc2)C1 1324327567 YHNVUMWNPIZGMP-CQSZACIVSA-N 380.426 -0.645 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCN2CCOC[C@H]2C1 1342046498 HCMGOUXVOSCPRX-CYBMUJFWSA-N 387.444 -0.951 30 20 GBED COCCNC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O 1343335795 NXNPAACESQRBRY-OAHLLOKOSA-N 386.408 -0.203 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)nn1 1345682822 GRAOLALVGYVEPJ-INIZCTEOSA-N 377.493 -0.532 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 1347095696 UCVLPDQDDZDDTP-ZDUSSCGKSA-N 385.486 -0.247 30 20 GBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C(C)(C)C1 1573285448 IFRCXRONNJSNCS-BXUZGUMPSA-N 384.444 -0.227 30 20 GBED C#CCCCC(=O)N(Cc1cnn[nH]1)C1CCN(C(=O)Cn2cnnn2)CC1 1574850941 XCJNTDCJGGQVSX-UHFFFAOYSA-N 385.432 -0.386 30 20 GBED C#CCCNCCNC(=O)[C@H]1CCCN(C(=O)[C@H](C)OCc2cnn[nH]2)C1 1574895313 QTJRXPMUGIHVPU-GJZGRUSLSA-N 376.461 -0.323 30 20 GBED C=CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)[C@H]2CCCN2C)CC1 1575104386 PYHJDSFRKKZWBY-QGZVFWFLSA-N 389.504 -0.006 30 20 GBED N#CCSCC(=O)N[C@@H]1CN(C(=O)C2(Cc3cnn[nH]3)CCC2)C[C@@H]1O 1577709744 BBZGHLWQUVKWJR-OLZOCXBDSA-N 378.458 -0.538 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1C 1588354666 USPTXGZEISTFRN-ZYHUDNBSSA-N 384.400 -0.947 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H](C(=O)O)[C@@H]2CCOC2)c1 1601121322 KSATUEOQENNHTE-TZMCWYRMSA-N 381.410 -0.310 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)C[C@H]1O 1757005837 GZOYEFIBDLZCFC-GBJTYRQASA-N 378.473 -0.016 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1783567746 XPGHUXCBRFXNOD-YJYMSZOUSA-N 386.408 -0.568 30 20 GBED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2 1784196477 WEUDZRYJERBHHF-IFXJQAMLSA-N 390.440 -0.392 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C[C@@H]21 1790788892 OWMHKPJOTYSWKR-GUBZILKMSA-N 380.294 -0.046 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCOCC1 1795876703 GUFFGFPXBABRDB-LJGIQUCRSA-N 390.484 -0.185 30 20 GBED O=C(/C=N/N1CCCCC1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](O)C1 1797149886 GJORIQCAQCAUBZ-FUWDYARCSA-N 378.473 -0.181 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 1801066887 GHKRKLMYIWYMRD-LFYQSXPISA-N 393.484 -0.325 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc[nH]c2C1 1801270235 GPASSDKRWGHKET-ZIVKBKJYSA-N 386.408 -0.808 30 20 GBED Cc1ncc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)s1 1801337456 BPAXAESXPYCJPZ-DPIQGUFMSA-N 377.422 -0.328 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncnc3)C2)C1 1831390901 ADCJNXOUFGRBTA-BEFAXECRSA-N 388.424 -0.415 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)C)C2)C1 1831392111 BMDXGTVFYZSFJX-YLJYHZDGSA-N 395.500 -0.131 30 20 GBED N#CCC(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1834397142 YGDOYJLDROGNCJ-CQSZACIVSA-N 375.473 -0.002 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](N)c4ccccn4)CCO3)C2)CC1 1835700284 XBYHEFDRLNJXTN-JXFKEZNVSA-N 399.451 -0.158 30 20 GBED CC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440480 KVWMIWBPZSHNPR-AZSZKOAISA-N 396.488 -0.315 30 20 GBED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1839159138 UUKYYQJWWDKWLS-APWZRJJASA-N 397.472 -0.440 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)C1 1839806043 YDDXOKZZTRTGRH-LIRRHRJNSA-N 395.456 -0.011 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCO[C@@H](CC(=O)OC)C1)c1cc[nH]n1 277939917 ISQIUKFTNKEQGE-BNTYZMSGSA-N 382.373 -0.516 30 20 GBED Cc1n[nH]c(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1C#N 278556247 HBWRMUCNAZABQQ-UHFFFAOYSA-N 388.409 -0.037 30 20 GBED CN(C)c1ncc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1C 287060047 TZQJKXZDOYOPLA-UHFFFAOYSA-N 396.455 -0.282 30 20 GBED CCn1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)cn1 349453217 FJSDOVZKSADBFJ-UHFFFAOYSA-N 391.475 -0.675 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)[C@H](C)[C@@H]1C 349461635 KKRAWRUMYRLRDV-KGLIPLIRSA-N 380.536 -0.094 30 20 GBED C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 349466756 REXMYENTWPYQSJ-ZYHUDNBSSA-N 391.475 -0.792 30 20 GBED CC(=O)N1CCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)[C@H](C)C1 349515046 WFEORVWKYGWRPV-GFCCVEGCSA-N 392.503 -0.766 30 20 GBED CC1(C)C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)C1CC1 349524005 PCUVEFRNAYFGKA-UHFFFAOYSA-N 392.503 -0.766 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C2(C#N)CCC2)C[C@@H]1O 349528915 VNJDWONGAANRPJ-OLZOCXBDSA-N 379.504 -0.273 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCOC2)n1 349555655 VBYUNLLMQWAYAY-LLVKDONJSA-N 377.448 -0.868 30 20 GBED C[C@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2ccc(C#N)cn2)CO1 349581655 WCLBQTMEMNZFEO-WCQYABFASA-N 388.471 0.182 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCCS(=O)(=O)N2CCOC2)c1C#N 349600877 NGVOJNVLUFCFQV-UHFFFAOYSA-N 377.448 -0.269 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)N2CCNC(=O)[C@H]2c2ccccc2F)n1 364821711 PTOFZOFLWVCGQT-OAHLLOKOSA-N 384.371 0.574 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC[C@]34CCOC4)CC2)o1 366901684 VJKJWGZROGPBOY-GOSISDBHSA-N 375.429 -0.005 30 20 GBED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(C2CC2)[C@H](C#N)C1 369923943 BFPVVXWPRUGAIK-CQSZACIVSA-N 385.490 -0.981 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccn(CC(=O)N(C)C)n1 465262976 ISMDYLUOEPBGOH-ZDUSSCGKSA-N 397.443 0.376 30 20 GBED C[C@@]1(C(N)=O)CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 485101785 CHWZKUHXFZUNTA-GOSISDBHSA-N 381.396 -0.140 30 20 GBED C[C@H](C(=O)N(C)CC(=O)N(CCC#N)CCN1CCOCC1)n1cccn1 499328708 HYRHUSHJCCGZIU-MRXNPFEDSA-N 376.461 -0.023 30 20 GBED COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)OC)C(=O)OC 593528032 XOMRCDCVSLPUKG-LLVKDONJSA-N 384.366 -0.272 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(N2CC[C@@H](O)C2)C1 593854398 JKWLHIABZYIDEV-SWLSCSKDSA-N 378.454 -0.498 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)NC[C@@H]2CNCCCO2)CC1 595284003 MPMPUDORUCVSLP-ZDUSSCGKSA-N 377.470 -0.237 30 20 GBED CN(C)S(=O)(=O)NCCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 596614008 LBGOOFFOYZCEPA-INIZCTEOSA-N 394.501 -0.198 30 20 GBED N#C[C@]1(F)CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 615607357 IELCYMCKPUYION-MRXNPFEDSA-N 380.401 -0.115 30 20 GBED O=C1C[C@H](N(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C2CC2)C(=O)N1 726943198 NZMPVVGWRALQDD-LBPRGKRZSA-N 390.421 -0.479 30 20 GBED C[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N1CCC(C(N)=O)CC1 727011164 ZQIQHXSMTJMOBH-GFCCVEGCSA-N 386.408 -0.056 30 20 GBED N#C[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)CCO1 737679286 OYRSQVISAYQCIF-ZDUSSCGKSA-N 376.398 -0.468 30 20 GBED C[C@@H](NC(=O)CON=C1C(=O)Nc2cc3c(cc21)OCCO3)C(=O)N(C)C 762672617 XXZQDFFORGDJTO-SECBINFHSA-N 376.369 -0.277 30 20 GBED CCOCCCNC(=O)[C@H](C#N)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 789401567 GHPHZFKUIDQJFI-GFCCVEGCSA-N 389.412 -0.559 30 20 GBED C[C@@H]1CN(C(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 808442965 PGECJSPZUOZESD-GFCCVEGCSA-N 381.410 -0.373 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)Cn3cnc(-c4nn[nH]n4)n3)C2=O)cc1 826385691 XCIBAXHEXOBKAY-ZDUSSCGKSA-N 392.383 -0.358 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)[nH]1 986676498 QNCQQIGMOVEDRJ-GUYJKWIASA-N 385.424 -0.160 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@H]2C1 986697123 OUUMNNXWZYRDRW-RQJABVFESA-N 391.428 -0.413 30 20 GBED Cn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2c[nH]c(C#N)c2)c(O)nc1=O 996120853 DYLKVOHOZDPYAY-XBFCOCLRSA-N 382.380 -0.139 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 1021797430 PXNIWDVRAAXGBW-JJXSEGSLSA-N 389.456 -0.378 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@H]1O 1023942185 OSSCRGMJBOHVFC-XZDPQHSOSA-N 388.424 -0.537 30 20 GBED Cc1nc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2cn(CC(N)=O)nn2)ccc1C#N 1055349858 LMMBHGWMKSKNDK-NFAWXSAZSA-N 380.412 -0.122 30 20 GBED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 1092922048 MSPLGZBUFWPUEK-GHYVTOPFSA-N 378.458 -0.098 30 20 GBED C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N[C@@H](C)C(=O)N(C)C 1109262686 QFSQJOMTXNGVCM-FZKCQIBNSA-N 378.473 -0.659 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCCC(N)=O 1109954987 FRXLGGZJYOGPOW-RDBSUJKOSA-N 379.461 -0.235 30 20 GBED CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@@H](C#N)C1 1118986354 JZJGGNKIBBJGKZ-FXAWDEMLSA-N 386.452 -0.167 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCN(C)CC(F)(F)F)CC1 1119947712 DYWLSGYSJSDKQJ-UHFFFAOYSA-N 385.412 -0.725 30 20 GBED CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1306201522 YQQOHZPHBLBIIU-AWEZNQCLSA-N 381.506 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COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(C3CC3)[C@@H](C#N)C1)CC2 1329961888 PMUIBVBXANNJKN-OCCSQVGLSA-N 387.444 -0.946 30 20 GBED C#CCN(C(=O)C(=O)N1CCN([C@H](C)C(=O)NCCCOC)CC1)C(C)C 1335121405 CAXQIXRPJOXQHY-MRXNPFEDSA-N 380.489 -0.458 30 20 GBED C=CCn1c(CN2CCC(CO)CC2)nnc1N1CCO[C@H](C(=O)NC)C1 1339607783 ZNKLOBARCGRYLL-HNNXBMFYSA-N 378.477 -0.380 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 1346276377 JUBSLEVADMMCJM-IUDBQGPFSA-N 386.412 -0.242 30 20 GBED CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CC(O)(CC#N)C1 1556250272 MPBMBPJNPMPZOM-UHFFFAOYSA-N 386.451 -0.395 30 20 GBED C#Cc1cccc(NC(=O)NC(=O)CN2CCS(=O)(=O)C[C@H]2CC(=O)O)c1 1573313530 KGJXAJRZGNPGIP-CQSZACIVSA-N 393.421 -0.110 30 20 GBED C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)NC)[C@H]1CCS(=O)(=O)C1 1574674352 XWLXECVECSPSEI-KBPBESRZSA-N 396.517 -0.349 30 20 GBED C#CCNC(=O)[C@@H](C)N1CCCO[C@H](CNC(=O)CCOCc2cnn[nH]2)C1 1574986088 RNZLOUVMFBSTPP-GDBMZVCRSA-N 392.460 -0.944 30 20 GBED C=CCOCC(=O)N1CCCO[C@H](CNC(=O)[C@H](C)OCc2cnn[nH]2)C1 1575108926 RZLWPXXIEALPBL-DZGCQCFKSA-N 381.433 -0.354 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1nnc2n1CCNC2=O 1581856146 UUMYOQPDTVHEPJ-GFCCVEGCSA-N 392.383 -0.800 30 20 GBED N#Cc1cn(CCC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)c(=O)nc1O 1581877105 QQJWXYNJVQKJOV-UHFFFAOYSA-N 384.331 -0.154 30 20 GBED C#CCNC(=O)CN1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C(C)(C)C1 1588354421 MQKLPEYXNBJKBJ-CQSZACIVSA-N 384.444 -0.226 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588665105 FKNMERVAWCPWON-MNOVXSKESA-N 377.405 -0.665 30 20 GBED C#C[C@@H]1COCCN1CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O 1602697595 YFPMRRKSXLFIPS-KDOFPFPSSA-N 381.396 -0.075 30 20 GBED N#Cc1ccc(N2CC[C@](O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cn1 1606368679 BYRYNMYXZCLPJW-KRWDZBQOSA-N 379.384 -0.167 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@H]1C 1757528074 OBGYFEMNVZSKLQ-KBXIAJHMSA-N 390.440 -0.377 30 20 GBED C=C(C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1)C(F)(F)F 1778006033 RQRINKGFBQNBTH-YWPYICTPSA-N 378.395 -0.095 30 20 GBED O=C1CC(C(=O)N2CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)=NN1 1778938699 FMISRYKOEGVXLB-PYJSORCASA-N 390.444 -0.836 30 20 GBED C[C@@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019211 NITGNZDCQDCIDV-ZKWKGFFBSA-N 379.461 -0.578 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1783566236 RYTVUUYKQVODKV-OXJNMPFZSA-N 386.404 -0.492 30 20 GBED NC(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1 1783568170 PNDVCFIWPBMXLE-IBGZPJMESA-N 385.376 -0.683 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)C(C)C)[C@H]2C1 1784180254 QOPKLVGERYCDQS-GINMEMRHSA-N 393.484 -0.159 30 20 GBED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=N)N)C[C@@H]32)c1 1790271334 OMMGTUIEHJVUSY-XIRDDKMYSA-N 398.467 -0.057 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)c3ccco3)C[C@@H]21 1791073216 RZDVEFAUWKXJDU-MYLCLEHYSA-N 376.365 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CCn1nccc1N1CCC[C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1=O 499490084 BWBJRDGXPZOFRD-QWHCGFSZSA-N 382.446 -0.543 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2(S(N)(=O)=O)CC2)CC1 566069345 BHZCJOVBVROJKJ-UHFFFAOYSA-N 398.466 -0.788 30 20 GBED C[C@@H](CN1CCN(C)CC1)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 584500171 UPSKSBOSYZWKTN-AWEZNQCLSA-N 379.486 -0.411 30 20 GBED CN(CC(C)(C)C#N)C(=O)C(=O)N1CCC(N2C[C@@H](C(=O)O)CC2=O)CC1 593768761 DRGBZUBOCJDSDT-LBPRGKRZSA-N 378.429 -0.081 30 20 GBED C=CCN(CC=C)C(=O)Cn1cc(CNC(=O)CN2CCCNCC2)nn1 640792840 ZGZUIXLXNAJWJN-UHFFFAOYSA-N 375.477 -0.610 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CC1 728573099 KIPCGZCLXLCXJQ-UHFFFAOYSA-N 397.435 -0.782 30 20 GBED CCOC(=O)N1CCC[C@@H](C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 732908187 HUFDPQMNQJVBMR-OLZOCXBDSA-N 385.442 -0.179 30 20 GBED CCOCCS(=O)(=O)NCC(=O)OCC(=O)NC1(C#N)CCCCC1 758350797 KWXICUMPOPYALJ-UHFFFAOYSA-N 375.447 -0.172 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCNS(C)(=O)=O 766341673 CQHKTMXBNYVIPM-SNVBAGLBSA-N 375.428 -0.683 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(OC)cccc2OC)CC1 772633583 FCSNPUSZCOXWPK-UHFFFAOYSA-N 381.454 -0.241 30 20 GBED CNS(=O)(=O)CCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 777124039 XZWDRMVAXJKLQC-LLVKDONJSA-N 389.455 -0.292 30 20 GBED COc1ccc2c(c1F)CCC2=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 807978729 BLRVTVKGOSSVDC-UHFFFAOYSA-N 396.400 -0.140 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)CC1 831556843 VXWPLIQQUTZOHA-CZUORRHYSA-N 379.438 -0.173 30 20 GBED CN(C)S(=O)(=O)NCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 832164132 ZMOBBYRJVJAZLN-MNOVXSKESA-N 375.451 -0.742 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@H]2CN(C)CCN2C)cc1 896575406 PMEXPDCHYUAQFQ-RHSMWYFYSA-N 378.498 -0.038 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1OCC 982937622 FGRDNYCHWVIZTD-APIJFGDWSA-N 378.433 -0.756 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3CC)C[C@H]2O)CC1 1024131313 GITNTKNMPIBSMZ-TVFCKZIOSA-N 377.485 -0.165 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2NC(C)=O)C1 1024226843 XWFYBOYVCXDURG-MIGQKNRLSA-N 388.424 -0.067 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)C1 1025318719 CAOQWANSZVINDG-FPCVCCKLSA-N 390.440 -0.861 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1111872007 XJDAWHRXYADQBS-YFQWEKLQSA-N 377.445 -0.910 30 20 GBED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O 1288525220 LBFROAZHCUJOGD-VXGBXAGGSA-N 389.503 -0.037 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1323589278 YBHJKHVAGVMKKE-KGLIPLIRSA-N 391.490 -0.797 30 20 GBED CN1C(=O)NC2(CCN(C(=O)C(=O)NCc3ccc(OCC#N)cc3)CC2)C1=O 1324328552 YXESSROIAOVGRC-UHFFFAOYSA-N 399.407 -0.252 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)CC1 1324781149 VGXPAMZVFRXVIN-HNNXBMFYSA-N 382.424 -0.557 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 1327029191 JPXRNEUXGBQQDL-AWEZNQCLSA-N 390.444 -0.490 30 20 GBED CN1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 1328533730 RSVITVQPZLVLHZ-UONOGXRCSA-N 395.460 -0.595 30 20 GBED CC1(C)CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[C@@]2(CCOC2)O1 1329817651 ZMLKQXLLKZEEPG-DNVCBOLYSA-N 376.457 -0.018 30 20 GBED COC(=O)C1(C#N)CCN(C(=O)C(=O)N2CC[C@H](N3CCOC3=O)C2)CC1 1333465840 ATQJHFWQEDRQIT-LBPRGKRZSA-N 378.385 -0.655 30 20 GBED CN1C(=O)COc2ccc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cc21 1341956087 STJQEABWZYWHRL-LBPRGKRZSA-N 391.405 -0.379 30 20 GBED C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1342266961 VNVOIZMQLYIBPH-CQSZACIVSA-N 392.456 -0.333 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N(CCCOC)[C@@H]2CCS(=O)(=O)C2)nn1 1349044519 ATIGDXVPRUVSIM-CQSZACIVSA-N 399.473 -0.868 30 20 GBED C#CCN(C(=O)CN1CCCS1(=O)=O)C1CCN(Cc2cnn[nH]2)CC1 1574895682 YAZBNLAJXBTINQ-UHFFFAOYSA-N 380.474 -0.734 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@H](C)OCc2cnn[nH]2)C1 1574985379 BNYUSKRGXKRUQK-UXLLHSPISA-N 388.472 -0.085 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@H]2CCN(Cc3cnn[nH]3)C2)CC1 1575040140 XSEGKZZBYCITLV-ROUUACIJSA-N 389.504 -0.006 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)[C@@H]1C 1588351232 KFGBLCNWGQUCQU-IPYPFGDCSA-N 381.444 -0.162 30 20 GBED C=CCS(=O)(=O)CCNS(=O)(=O)Cc1csc(-c2nn[nH]n2)c1 1588688805 RGSXAFXXGBVRMV-UHFFFAOYSA-N 377.473 -0.052 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(C(=O)O)CCOCC1 1589132617 ZJWGWRXNEMTSTL-LLVKDONJSA-N 381.410 -0.025 30 20 GBED N#CCCCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O 1592676292 KITVESIYWCLCBE-AWEZNQCLSA-N 396.411 -0.102 30 20 GBED COC(=O)CCN(CC(=O)O)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1593839139 APEHKMJUOQHVPX-UHFFFAOYSA-N 397.409 -0.409 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)NCCC(=O)N(C)C 1602853555 DEYRTKLRDYZSHZ-UHFFFAOYSA-N 385.428 -0.024 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 1609492888 CUPDPUAOQGWODT-UONOGXRCSA-N 389.441 -0.172 30 20 GBED N#Cc1cn(CC(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c(=O)nc1O 1629288707 XVZDUUGCVZACJR-DLBZAZTESA-N 395.419 -0.068 30 20 GBED C[C@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104737 GHSXTLMXBAQILC-ZCVAIWLRSA-N 396.444 -0.520 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)N(C)C)C[C@@H]21 1788573022 MEDZJULVVPRUKP-ZQDZILKHSA-N 381.473 -0.373 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1O)C2 1793355022 XUKYFCJTONKRJI-ZJOBFFGXSA-N 391.424 -0.120 30 20 GBED NC[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)c1cccs1 1796445356 SNKUMZKNZLVBRG-GNRMWRSBSA-N 392.481 -0.637 30 20 GBED Cn1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c1Cl 1800778060 XRXQTCMUKVOEDK-WDAIWFPHSA-N 380.788 -0.635 30 20 GBED C[C@@H](S)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1826015832 SZLLFCLCZWZAOH-VGMNWLOBSA-N 385.515 -0.034 30 20 GBED CN(C)C(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831207328 DTBZGPCJBLKMEX-LJQANCHMSA-N 392.456 -0.873 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1831391296 MPLBBQKJHKOZBD-KXBFYZLASA-N 390.440 -0.472 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832498277 DWRDRPIKWJAKLW-PXNSSMCTSA-N 386.404 -0.084 30 20 GBED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834756306 VPDBQISKDWLGRR-SFHVURJKSA-N 380.445 -0.481 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836968074 NOSYPTLPVMOFPB-SFHVURJKSA-N 389.412 -0.351 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840551184 OXRGPGSLRISECV-IUODEOHRSA-N 394.515 -0.804 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCc4nn(C)c(=O)cc4C3)CC2)o1 172799566 ZKDYOPRXPBIZNS-UHFFFAOYSA-N 397.439 -0.345 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)C1=O 264172033 JXSNBEFWFLAGKQ-JTQLQIEISA-N 382.442 -0.221 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](O)c1cnn(C)c1 268858860 DHALICFCQAGJGE-ABAIWWIYSA-N 377.426 -0.192 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2CC(=O)c2cnn(C)c2)C1=O 269390869 AGIAUDCAAHIYFM-CYBMUJFWSA-N 387.396 -0.039 30 20 GBED C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 276432067 RPQVSMNCNCOSOJ-CYBMUJFWSA-N 398.423 -0.186 30 20 GBED CC(=O)NCCCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 288779233 DIZOGZXLOYSLOS-INIZCTEOSA-N 385.424 -0.188 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](CN/C(O)=N/CC2CCN(S(C)(=O)=O)CC2)O1 330636243 DZOHFAIKBVHMQW-KGLIPLIRSA-N 390.506 -0.203 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3nn[nH]n3)C2)c1 370861531 XRHLFNLQLCCULW-ZDUSSCGKSA-N 376.398 -0.675 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCCS(=O)(=O)NCC1CCC1 410157581 ZNRDZQJLNAEVJQ-UHFFFAOYSA-N 382.508 -0.598 30 20 GBED CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 410659489 DCOAKKQVVXGILY-CQSZACIVSA-N 385.428 -0.868 30 20 GBED CCCN(C(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)[C@@H]1CCNC1 423641035 ARBRSBWVXKTKLI-OAHLLOKOSA-N 387.488 -0.151 30 20 GBED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CC[C@@H](S(N)(=O)=O)C2)c1 476388088 CHMYMCWEHITCJT-HUUCEWRRSA-N 376.438 -0.061 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)nn1CCC#N 504502177 IGBKPJIHUZFFDW-UHFFFAOYSA-N 387.444 -0.534 30 20 GBED C[C@H]1CN(CCOC2CCN(C(=O)NCC(=O)NCC#N)CC2)C[C@H](C)O1 511900557 HVTJRRZBNUKWHL-GJZGRUSLSA-N 381.477 -0.074 30 20 GBED C[C@@H]1OCC[C@@]1(O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 516194488 KALRGYRPINVYTP-SMDDNHRTSA-N 389.455 -0.693 30 20 GBED COC(=O)c1cccc(CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1C#N 535205455 HVPWYOKJMHXSJR-DLBZAZTESA-N 393.465 -0.068 30 20 GBED CCn1cc(C#N)c(=O)n(C/C=C/Cn2c(=O)c(C#N)cn(CC)c2=O)c1=O 580096700 NUUOSYWRCYKIFD-AATRIKPKSA-N 382.380 -0.627 30 20 GBED N#CC[C@]1(O)CCN(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C1 592148316 UBYKTSPPVLAGBU-UXLLHSPISA-N 385.486 -0.468 30 20 GBED COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 594538951 DVJYSAJCVGPJIN-NSHDSACASA-N 389.455 -0.082 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C 595128953 KLAVONBQYGQLLJ-NWDGAFQWSA-N 382.442 -0.019 30 20 GBED CN(C)CCN(CC(=O)N(C)C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 595158227 IAASBNIOVPWVJZ-UHFFFAOYSA-N 391.476 -0.073 30 20 GBED CN([C@H]1C[C@@H](C(N)=O)C1)S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 600759032 CUCKFOCYDJQGSB-PHIMTYICSA-N 386.455 -0.627 30 20 GBED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCC(=O)NCCO)cn2)cc1 615220787 ZCHUDLNASPGIQB-UHFFFAOYSA-N 383.364 -0.091 30 20 GBED NS(=O)(=O)[C@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 732663856 CWYZZWSRVHDUEP-JTQLQIEISA-N 386.455 -0.995 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N(CCO)CCN1CCOCC1 783469838 NYQFUVRQEAUMDF-UHFFFAOYSA-N 393.415 -0.071 30 20 GBED C#CCn1ccc(CN(CC)C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)n1 790117587 AMMUXTBTJUJPOJ-GOEBONIOSA-N 392.481 -0.100 30 20 GBED C#C[C@H](NC(=O)C(=O)NCC1(N2CCOCC2)CC(OCC)C1)[C@H]1CCCO1 809310742 UNKXNRDIZGFHLM-ZEVUXNIQSA-N 393.484 -0.331 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H]2COc3ccccc3O2)CC1 831579546 HGQOHSYKDLPXDK-AWEZNQCLSA-N 379.438 -0.172 30 20 GBED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCNC2)c1 861545300 VACCTQDPTNQCLP-IKGJXOFFSA-N 393.469 -0.084 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(-c3nnnn3C)cc2)CC1 861730262 PNVKMJKHYPOVTB-UHFFFAOYSA-N 395.423 -0.196 30 20 GBED C#CCN1CCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C1 923573161 JPYLGLYNQVBZTG-UKRRQHHQSA-N 381.502 -0.082 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cn(CC)nn2)C[C@@H]1O 964193392 LTTJWXOCBWTGQO-DFGXFYAUSA-N 391.472 -0.100 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCC2)C1 970253202 RJHZQHJXZMWWFC-NCOADZHNSA-N 393.484 -0.480 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CC(=O)NC1=O 1005108157 JGOPJCHHZRYTAC-RBUCKAEESA-N 390.440 -0.233 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3nnc(O)nc3O)[C@@H]2C1 1022256615 KJTZSRABCRZAAM-FMSGJZPZSA-N 389.412 -0.063 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnc2O)C1 1023471405 HSJNGIMVJSLUDB-JLNYLFASSA-N 379.417 -0.957 30 20 GBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C2)nn1 1044661350 OSCGWFMMIOAOKZ-JJAZEVLHSA-N 383.412 -0.684 30 20 GBED COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)cc1C#N 1077682851 OBOVLOHZSAYZAZ-YLFCFFPRSA-N 386.452 -0.048 30 20 GBED C=CCCCN1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@@H]2CS(=O)(=O)C[C@@H]21 1108476211 FUUHRDUPGXVTLE-YYIAUSFCSA-N 385.530 -0.019 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1COCCN1C 1109158913 YEJGPENWTHIESP-QZWWFDLISA-N 377.489 -0.199 30 20 GBED CS(=O)(=O)CC1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CC1 1109279388 CVJYBGFBNYJIHX-RDBSUJKOSA-N 382.486 -0.437 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1n[nH]c(C)n1 1110531536 CLINNRHPMLABTI-UPJWGTAASA-N 375.433 -0.611 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)c1cccs1 1111353183 MITUGICIYJAUKL-UPJWGTAASA-N 375.454 -0.161 30 20 GBED CN1CCC(N2CC[C@H](N(C)C(=O)C(=O)NC3CCN(CC#N)CC3)C2)CC1 1117326284 GZBRWPIWQAALJO-SFHVURJKSA-N 390.532 -0.283 30 20 GBED CN(C[C@H](O)CN(C)c1cnc(C#N)cn1)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1125353326 XWXIGDPJDGPHDY-PWXKEOIMSA-N 375.429 -0.345 30 20 GBED COc1ccc(N2C[C@H](NC(=O)C(=O)N3CC[C@@](O)(CC#N)C3)CC2=O)cc1 1328544671 HZGVZWGOVOKAJZ-YJYMSZOUSA-N 386.408 -0.206 30 20 GBED CS(=O)(=O)[C@H]1CCCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1329453177 LNNQAJKBLCXMGK-GJZGRUSLSA-N 382.486 -0.389 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cnc3c(cnn3C)c2)CC1 1330317203 CLUHULKWAHROND-UHFFFAOYSA-N 376.442 -0.976 30 20 GBED C#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573286293 YIXVNXRXPVJTJM-LBPRGKRZSA-N 377.430 -0.953 30 20 GBED C#CCNC(=O)CN[C@H]1CCCCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588354619 SASPYQIMLZXXIW-AWEZNQCLSA-N 384.444 -0.081 30 20 GBED C=CCCn1cc(C(=O)NCC[C@H](C)N=c2cc[nH]c(-c3nn[nH]n3)n2)nn1 1588620931 NBLXVPJFUDLPJF-NSHDSACASA-N 383.420 -0.133 30 20 GBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCO1 1588675878 KTDDXBJWKGRKGN-ZDUSSCGKSA-N 389.416 -0.255 30 20 GBED CC(C)(C)C#CC(=O)NCCN1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 1589071653 MCBNNVGIJPNQTP-UHFFFAOYSA-N 383.460 -0.056 30 20 GBED CC(C)(CC#N)CNC(=O)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 1589264035 KOPJMORCXFKJFG-UHFFFAOYSA-N 397.443 -0.034 30 20 GBED C#CCN(C(=O)C(N)=O)C1CCN(c2ncc(-c3nn[nH]n3)cc2Cl)CC1 1602714152 LDRUHLGKZKXHED-UHFFFAOYSA-N 388.819 -0.169 30 20 GBED C#CCN(C(=O)c1nc[nH]n1)C1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 1602716487 FORXDFPMSJQBAO-UHFFFAOYSA-N 379.388 -0.481 30 20 GBED C#CCO[C@H](C)C(=O)NCCN1CCN(c2ncccc2-c2nn[nH]n2)CC1 1602726314 DMSVOADBTHJUEL-CQSZACIVSA-N 384.444 -0.462 30 20 GBED N#Cc1cccc(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)n1 1657236146 LGFRYWRXNSKRDI-INIZCTEOSA-N 377.470 -0.626 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)CCCC)C1 1757182977 UACDUJJLTADIEX-KBXIAJHMSA-N 388.486 -0.520 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2ccc(CCC(=O)O)o2)c(=O)n(C)c1=O 1776052222 RNCLKCXTYCZUSZ-UHFFFAOYSA-N 384.370 -0.993 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1781396942 WFXWUQRZUDXAMK-LDDOYCOJSA-N 382.461 -0.660 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1781400172 JAKDBXOOEIFLRL-BBRMVZONSA-N 379.421 -0.696 30 20 GBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1783045954 GTJUUOLLXJIHDG-UGSOOPFHSA-N 381.429 -0.665 30 20 GBED NC(=O)c1ccccc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783562769 GXIXFXOLWNULQX-LJQANCHMSA-N 385.376 -0.683 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccn(C)n3)[C@H]2C1 1787045174 NGVQXSLHUVQRKZ-LAQRGFTBSA-N 388.468 -0.019 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)n3nc(C)ccc3=O)[C@H]2C1 1788733511 XIOCQLDJOXWRPD-JYJNAYRXSA-N 386.452 -0.100 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nncn4c3)C[C@@H]21 1791076956 SBYBCTQVBAEBIN-KKUMJFAQSA-N 397.391 -0.589 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cnnn3)[C@H]2C1 1791683339 WTQVTMIMSMVCPL-QXKUPLGCSA-N 390.444 -0.748 30 20 GBED CN[C@@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1)C(=O)O 1792138892 BZTFPEWEAKXIPZ-AJNGGQMLSA-N 392.456 -0.277 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1C)C2 1793342486 QFUOYQDJFDVRLO-AFIMGQEJSA-N 387.436 -0.373 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC(N)=O)C2 1793342679 LUUDYUOJBHIXET-AHDPXTMNSA-N 380.445 -0.939 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2 1795598523 JGBSVOAEQKYADA-FZKCQIBNSA-N 375.473 -0.614 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n[nH]1)C2 1795598710 YQBQQLVPKCNURA-JJLQDPRZSA-N 390.444 -0.400 30 20 GBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(C)=O)CC1)C2 1802021000 OZMRIRZODDPJJP-XEMDLRDOSA-N 390.484 -0.847 30 20 GBED NC(=O)CC[C@H](N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1817249999 LHUGPHNOEDWCPL-JQWIXIFHSA-N 390.400 -0.917 30 20 GBED CC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1830520870 HDYICIGYQUZQNQ-MPNBXSRTSA-N 393.440 -0.074 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(OC)OC)CCO2)C1 1831028387 KMXLXSINSNFVFY-KBXCAEBGSA-N 386.445 -0.347 30 20 GBED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1831208227 JERIGJAFFQAMDP-IBGZPJMESA-N 391.424 -0.692 30 20 GBED CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1831276604 PZAUEDYWJPPTEI-KSSFIOAISA-N 398.460 -0.620 30 20 GBED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835344591 MALDOUXCGKNWMT-IFXJQAMLSA-N 390.440 -0.563 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1839810725 NTISBILPODCLGU-CTWPCTMYSA-N 376.409 -0.581 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1840173659 KZETWVYBKPRKJO-MAUKXSAKSA-N 377.445 -0.053 30 20 GBED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1840294344 DGRZZHQHVFLASP-IBGZPJMESA-N 389.456 -0.072 30 20 GBED C#CCNC(=O)COC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 8558746 VIOHZIOUBDTOKD-UHFFFAOYSA-N 381.410 -0.442 30 20 GBED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 22816079 WGTZSMFSYIGKFH-LBPRGKRZSA-N 391.428 -0.210 30 20 GBED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(S(N)(=O)=O)CC1 139205113 BTFHAQGWBOOUBC-UHFFFAOYSA-N 389.441 -0.496 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NC[C@H]1CC(=O)N(C2CC2)C1)c1cc[nH]n1 276604559 OTTJXIKGCPBYGR-HTPONCKQSA-N 377.401 -0.179 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NN2C(=O)N[C@@](C)(CC)C2=O)c1 278263237 ABRSMGIDDWHVOM-INIZCTEOSA-N 378.410 -0.037 30 20 GBED CCCS(=O)(=O)N1CCC[C@H]1/C(O)=N/CCN1CCS(=O)(=O)CC1 328752949 DDJWOYZVLMJVON-ZDUSSCGKSA-N 381.520 -0.123 30 20 GBED O=C(CCC(O)=Nc1cnn(CC(=O)N2CCOCC2)c1)N1CCOCC1 329690795 GNJPCJDLKKQLIT-UHFFFAOYSA-N 379.417 -0.031 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C 349474935 DPDKPAAJTFNSCI-YRJUUEJZSA-N 399.560 -0.231 30 20 GBED CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C)C[C@H]1C 349478447 SEDAIJGSGYFISG-CHWSQXEVSA-N 394.519 -0.567 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 349499902 SGANCDXRYJUJOJ-RFGFWPKPSA-N 379.504 -0.417 30 20 GBED N#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H](O)CC1 349518017 GQGXODCHMFFYPS-CQSZACIVSA-N 379.504 -0.129 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](CS(C)(=O)=O)C3)CC2)o1 368351196 CCPPVODESWFBOB-CQSZACIVSA-N 395.485 -0.130 30 20 GBED CCN(CC)C(=O)CN1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409562522 RKBZMIJGCRMYGR-OAHLLOKOSA-N 387.506 -0.668 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCN1CCNCC1 419850026 DQAXCIBTJQENNN-UHFFFAOYSA-N 387.484 -0.055 30 20 GBED C[C@@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 435201314 GAPFQVIEICONSE-VOJFVSQTSA-N 387.371 0.478 30 20 GBED COCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)cc1 461373044 JNWVJXTZQYIRMK-UHFFFAOYSA-N 399.472 -0.045 30 20 GBED CCN(CC)c1n[nH]c(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1C#N 463373305 CIERTELCCSOZSU-UHFFFAOYSA-N 381.418 -0.674 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN([C@@H](C)C(=O)NCCCOC)CC1 507715164 DNEWTKIRVMJTBE-LSDHHAIUSA-N 383.493 -0.455 30 20 GBED COC(=O)[C@H](O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 573728353 LLUBLJZOBMEXSH-MRXNPFEDSA-N 395.437 -0.391 30 20 GBED C=CCCSCCNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 595148310 MJCKPAASIBVKLG-UHFFFAOYSA-N 382.486 -0.639 30 20 GBED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cnn(C)c3)c2=O)c1 726580945 IRPBWDDBISTVKR-UHFFFAOYSA-N 389.440 -0.137 30 20 GBED C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)nc1 728962314 OBYPRZZICLPESC-UHFFFAOYSA-N 377.470 -0.687 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCC#N)cc1 731233298 GZVAUHVXHUPQHQ-UHFFFAOYSA-N 383.382 -0.675 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N=c1cc[nH]cc1-c1nn[nH]n1 737894562 GTOUGYZORIOLFX-UHFFFAOYSA-N 384.381 -0.639 30 20 GBED Cn1c(=O)c2ccc(C(=O)NCc3ccc(C(=O)NO)cc3)nc2n(C)c1=O 746268381 ACBACFINWXDJQY-UHFFFAOYSA-N 383.364 -0.319 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1 747737847 KXRDSVWXESZMOA-UHFFFAOYSA-N 376.438 -0.528 30 20 GBED CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCO1 800113863 JRAJEWYIBNHZHD-CHWSQXEVSA-N 390.462 -0.319 30 20 GBED CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C1 809502258 GKXRXVTVSFFILK-AWEZNQCLSA-N 394.453 -0.277 30 20 GBED CC(C)C[C@@H](CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(=O)O 818656875 MEZJTXJPIWWIND-JKJHPVACSA-N 380.401 -0.508 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2ccc(C(=O)O)cc2)CC1 825619338 KXHKZCVHLRHULS-UHFFFAOYSA-N 393.465 -0.028 30 20 GBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)nn1 938432890 HKSIFJNTEAIJPS-RZLSGREXSA-N 375.429 -0.154 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)[C@@H]1C 988305899 YEERKFFHZCTQNV-KBXIAJHMSA-N 392.456 -0.033 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 990880717 PZKSWEWJGPUNOO-MQYQWHSLSA-N 376.417 -0.997 30 20 GBED Cn1c(O)ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)c1=O 999098200 HIPVUQFPLFLAJO-OSMZGAPFSA-N 382.380 -0.139 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1CS(=O)(=O)C1 1002978268 UHXYBZOHJHWOIY-WCVJEAGWSA-N 379.482 -0.623 30 20 GBED C=CCCOCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1061668612 SVYZGHHKUMSKOO-UIBIWLFHSA-N 382.457 -0.026 30 20 GBED CN(CCNS(C)(=O)=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1116774397 JWEHNLIXGDWZJR-HNNXBMFYSA-N 393.469 -0.150 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H](CO)CN2CCCCC2)c1 1183432986 QMGYPCFAEPSODP-HNNXBMFYSA-N 380.470 -0.200 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)[C@H](C)C1 1206985059 MSQKBZVDVVBVAC-AAVRWANBSA-N 379.461 -0.651 30 20 GBED CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1C 1215548174 KWIOJAGXZXSBDO-LVQVYYBASA-N 377.489 -0.091 30 20 GBED N#CC1(NC(=O)CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)CCCCC1 1253553727 CVVKNUPZBMAIIY-HUUCEWRRSA-N 384.502 -0.895 30 20 GBED N#CC1(c2ccccn2)CCN(C(=O)C(=O)NCCN2C(=O)CCC2=O)CC1 1323452977 QZXGCLWDLBITSD-UHFFFAOYSA-N 383.408 -0.269 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 1324838988 WXJJYBYRLODILN-ILXRZTDVSA-N 388.486 -0.254 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](C#N)C3)C2=O)cc1 1327107745 LFCPGTQDYPTCHP-HZPDHXFCSA-N 381.392 -0.474 30 20 GBED C=CCN(C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)[C@H](C)COC 1328282158 OHFZCHCQWIONKN-OAHLLOKOSA-N 394.472 -0.671 30 20 GBED C=CCn1c([C@@H]2CC=NO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1340413904 AESUKTKNMJVPRC-HNNXBMFYSA-N 389.460 -0.108 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(C3CCOCC3)CC2)CCN1C1CC1 1348537339 YXAMUAYGEXRTBO-KRWDZBQOSA-N 375.473 -0.492 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2Cc2ccc(C)s2)CC1 1352220221 QRFDLEASQCKYSI-UHFFFAOYSA-N 381.487 -0.319 30 20 GBED COCCc1ccc(S(=O)(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1561764316 RUJCHJMFKBLMLD-UHFFFAOYSA-N 378.410 -0.012 30 20 GBED C#CCOCCC(=O)NC[C@@]1(O)CCN(c2nc(C)cc(-c3nn[nH]n3)n2)C1 1573288402 KNJJUEJCGSKRGT-KRWDZBQOSA-N 386.416 -0.938 30 20 GBED C=CCNC(=O)NC(=O)CN1CCC[C@@H](NC(=O)CCCc2cnn[nH]2)C1 1575109475 ZUFNDVXSXJRXGE-CQSZACIVSA-N 377.449 -0.280 30 20 GBED CN(C(=O)CC(=O)NCc1cnn[nH]1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1576716961 WDFUBLQVJGACSV-CQSZACIVSA-N 384.400 -0.616 30 20 GBED CS(=O)(=O)N1CC[C@@H](NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 1591680261 KVOYZZOTUCMRNI-ZIAGYGMSSA-N 389.441 -0.301 30 20 GBED N#Cc1cccc(C2(NC(=O)Cn3cc(-c4nn[nH]n4)c(O)nc3=O)CC2)c1 1592702101 PVCFGXWTFGOJQT-UHFFFAOYSA-N 378.352 -0.194 30 20 GBED C[C@@]1(C#N)CN(C(=O)CS(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)CCO1 1603738420 NGJGBNMEMGULDY-MRXNPFEDSA-N 390.425 -0.077 30 20 GBED C=CCOC[C@H](NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)C(=O)O 1609432327 OAGVNCNEEFHUON-LBPRGKRZSA-N 375.389 -0.492 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)CCO1 1609495116 WRSQFZZIPDTLLO-ZDUSSCGKSA-N 375.414 -0.085 30 20 GBED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1779070359 WGCYSLJAXOPENN-YJBOKZPZSA-N 395.412 -0.385 30 20 GBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2 1781693397 LYMQRNMALVGHRZ-FRQCXROJSA-N 394.424 -0.372 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CSCC(=O)O)C1 1782225272 HLBUUHDANGQUBH-SJKOYZFVSA-N 398.437 -0.594 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCC)C[C@@H]21 1783530391 WURNFFAWXYNADX-FCLICNRPSA-N 379.457 -0.139 30 20 GBED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786696256 QLPCCPOCVLUZFA-JONQDZQNSA-N 392.456 -0.579 30 20 GBED CCCNC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791072706 WKBCKYNDGJTDQH-KKUMJFAQSA-N 393.440 -0.640 30 20 GBED CC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1792863557 QUALGMBIEWVAMH-JTSGKGSLSA-N 383.445 -0.124 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cnn(C)c1)C2 1793342894 YFKUCVXXHQGNDH-RMRDIRSESA-N 388.468 -0.019 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2 1793355944 SDRRJTNSUZLRHS-VXIBKDFQSA-N 395.500 -0.111 30 20 GBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O 1798357834 OSGWDSZZDXIZMI-CHWFTXMASA-N 379.442 -0.903 30 20 GBED COCc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834760236 HYKUKEMETLKRQH-KRWDZBQOSA-N 378.385 -0.195 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)NC4)C3)C2)CC1 1835340027 ZLRYVDABRZHNPO-IFXJQAMLSA-N 390.440 -0.727 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2 1839665805 YKLAIOHLVNJRNS-LJQANCHMSA-N 388.424 -0.887 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1840157865 CEQZGKQTAPHNFH-GUYCJALGSA-N 381.454 -0.292 30 20 GBED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)n(C)n1 1840158134 HFGNMGULIUJWKG-YVEFUNNKSA-N 398.485 -0.183 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1840170395 CICZZACDPOBNEJ-OXQOHEQNSA-N 391.468 -0.228 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1840172522 TYOBVPSBSVAFPY-FQEVSTJZSA-N 394.516 -0.344 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1840844865 PKSBLUFNMLJPAQ-RTBURBONSA-N 396.440 -0.528 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NN(C)C(=O)CC1 1847262709 AVXAXTDIPIDIMM-UWERJEOXSA-N 387.440 -0.345 30 20 GBED CCN1CCN(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C(=O)C1=O 265277908 YRNKMVLPMFKVTD-QGZVFWFLSA-N 383.452 -0.086 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC)C(=O)N2CCOCC2)c1 267800500 XGHWQEVPNCELPN-INIZCTEOSA-N 393.465 -0.035 30 20 GBED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 275702192 YSWZWLKJABWCIM-UGFHNGPFSA-N 395.437 -0.250 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 292222948 AEIJOMROJWCULB-OAGGEKHMSA-N 379.457 -0.066 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 349500908 HNCJPMRNVGAHDZ-CQSZACIVSA-N 389.503 -0.836 30 20 GBED N#Cc1cccnc1NS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](CO)C1 349502103 DKYNRMMKWBTPCZ-LBPRGKRZSA-N 388.471 -0.271 30 20 GBED N#CCCN(CCC#N)C(=O)CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 374839079 MDVHNBBWUFLISR-INIZCTEOSA-N 397.501 -0.231 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](CO)OC(C)(C)C3)CC2)o1 420939007 MYURBXIVBNINSM-AWEZNQCLSA-N 377.445 -0.025 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 430388629 YMRUHGTZXOQLKL-ILXRZTDVSA-N 387.502 -0.128 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 534493209 MZTVLTXDWQWQKP-ZWNOBZJWSA-N 386.455 -0.886 30 20 GBED C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 575911364 AWVPJGLMSBTFNZ-ZDUSSCGKSA-N 383.412 -0.086 30 20 GBED COCCN(CC#N)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1 594375465 QHMBZRYRYKKJPB-ZFWWWQNUSA-N 385.417 -0.052 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc1 594549295 KCELNJPSBGAWLQ-BSLXNSKLSA-N 385.467 -0.264 30 20 GBED N#CCCN1CCN(C(=O)C(=O)NCC2(N3CCCC3)CCOCC2)CC1 602245044 JNFZLDHVENYQKF-UHFFFAOYSA-N 377.489 -0.195 30 20 GBED N#Cc1cnn(-c2ccc(C(=O)NCC(=O)NCCN3CCOCC3)cc2)c1N 609533178 ZLHUANFOUWDLIT-UHFFFAOYSA-N 397.439 -0.496 30 20 GBED CCCN1C[C@@H](C(=O)NCC#CCNC(=O)[C@H]2CC(=O)N(CCC)C2)CC1=O 665419353 OOOBZQPEVPLQJU-HOTGVXAUSA-N 390.484 -0.261 30 20 GBED C=CCOCCNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 679649067 PWDJLBMDCVYALM-UHFFFAOYSA-N 375.472 -0.019 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)CCOc1ccc(S(N)(=O)=O)cc1 726068474 RJAUDCMRHSARKD-UHFFFAOYSA-N 385.398 -0.342 30 20 GBED COCCNC(=O)[C@@H](C#N)C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 741431943 VITAEFHUCZKILR-LBPRGKRZSA-N 382.417 -0.463 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2cccc3c2OCCCO3)c(=O)n(C)c1=O 771892791 VAPVPBMLAHNOJO-UHFFFAOYSA-N 394.409 -0.442 30 20 GBED CCOCCOC[C@@H](O)CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 792042577 YQEVHSHDGXEKML-LBPRGKRZSA-N 385.442 -0.745 30 20 GBED C#CC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)OC 841541990 ZFSHZTZNUOOZFJ-CQSZACIVSA-N 386.451 -0.030 30 20 GBED N#CC(C#N)=c1sc(=Cc2ccc(O[C@@H]3CCOC3)cc2)c(=O)n1CC(N)=O 853462611 AHBATWOMTLSTNZ-OAHLLOKOSA-N 396.428 -0.411 30 20 GBED COC(=O)C[C@H](O)CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 863016370 QHFLGGNDCMTLIU-NSHDSACASA-N 383.426 -0.455 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCOc2ccccc2F)CC1 891488619 WGUUWGHBVADVLR-UHFFFAOYSA-N 384.433 -0.001 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2Cc3ccccc3O2)CC1 891933800 UVASXLAHOFCOTO-OAHLLOKOSA-N 378.454 -0.215 30 20 GBED N#C[C@@H]1CN(C(=O)CNCC(F)(F)F)CCN1C(=O)CNCC(F)(F)F 912534890 GLSGFNORBZBJGO-SECBINFHSA-N 389.300 -0.147 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ncn(C(C)(C)C)n2)C[C@H]1O 1025710301 IHKIGTLICXMXOR-SYQHCUMBSA-N 377.445 -0.074 30 20 GBED COc1ccc(C#N)cc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1077220561 OFIUPNOHHZIZKU-VVHMCBODSA-N 388.468 -0.053 30 20 GBED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O 1288525218 LBFROAZHCUJOGD-NWDGAFQWSA-N 389.503 -0.037 30 20 GBED CC(C)CN1CC[C@@H](CNC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1323419675 IUIZZDGSFHQCLJ-VUAZUDAXSA-N 391.472 -0.277 30 20 GBED N#CCOc1cccc(NC(=O)C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)c1 1324324888 NOFHXMBXHIMNKM-ZDUSSCGKSA-N 381.410 -0.465 30 20 GBED CNC(=O)CN1CCC(NC(=O)C(=O)NCc2ccc(OCC#N)cc2)CC1 1325592920 BFYRQPZRGDCCHM-UHFFFAOYSA-N 387.440 -0.468 30 20 GBED CS(=O)(=O)C[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1328569575 VOSQDVLWQDMEDB-ZDUSSCGKSA-N 385.467 -0.270 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC(c2nccn2C)c2nccn2C)C1=O 1329175904 HHKSBUTWWFPUHM-UHFFFAOYSA-N 385.384 -0.664 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCNc2nccc(C(F)(F)F)n2)C1 1329323599 XZKNKNFTFDPIMC-CQSZACIVSA-N 386.334 -0.099 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCOCC3(CCOCC3)C2)CCN1C1CC1 1329484222 OKMVNJDOUJJZCP-MRXNPFEDSA-N 376.457 -0.159 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1332110557 WIEYXKFAYJMWCV-MRXNPFEDSA-N 394.516 -0.025 30 20 GBED C=CCn1c(C2=NNC(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1340561159 LETJVZKGNFLSNL-CQSZACIVSA-N 386.460 -0.569 30 20 GBED COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCOC1 1504884583 OHVFEHAANSAWQU-QGZVFWFLSA-N 380.449 -0.066 30 20 GBED C=CCN(C)c1nnc([C@@H]2COCCN2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1574925243 LDJOHDKSKOSRBE-KBPBESRZSA-N 384.506 -0.157 30 20 GBED N#Cc1cc(C(=O)NC[C@H]2COCCN2c2nccnc2-c2nn[nH]n2)c[nH]1 1581865632 MNQOTICQADYVIY-LBPRGKRZSA-N 380.372 -0.508 30 20 GBED N#Cc1ccc(CNC(=O)Cn2cc(-c3nn[nH]n3)c(O)nc2=O)cc1Cl 1581869804 KMNMIEVVYGOQPY-UHFFFAOYSA-N 386.759 -0.030 30 20 GBED C=CCCO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[nH]n3)n2)C1 1588608384 LHJXQGYLLLTMFO-PXAZEXFGSA-N 388.432 -0.305 30 20 GBED C=CCCO[C@@H](C)C(=O)NC[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)CCO1 1588608574 OJMQXSRWUIWZGC-QWHCGFSZSA-N 388.432 -0.041 30 20 GBED CS(=O)(=O)NC1CC(NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 1591677981 CSTZSYDTFNJOQK-IYXRBSQSSA-N 389.441 -0.255 30 20 GBED O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCNc1ncccc1-c1nn[nH]n1 1606523754 GUXCGDALGUSZHF-SAPNQHFASA-N 397.399 -0.294 30 20 GBED CN1CC(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)C1 1779105747 MBPJGNXQFRGZJL-CYGOOPLXSA-N 394.472 -0.093 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ncon3)C2)C1 1779867686 QQIDFBIVLYSGMJ-QGZVFWFLSA-N 376.417 -0.205 30 20 GBED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783568145 OGSMOMAGIJAJNC-KBXCAEBGSA-N 379.413 -0.791 30 20 GBED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1785014653 YAHGKJPARDTETM-XQLPTFJDSA-N 398.529 -0.522 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCCC3)[C@H]2C1 1792314240 HNFSDTUXHUDEAC-JYJNAYRXSA-N 377.441 -0.460 30 20 GBED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795632500 SIYHORWDONKUTI-OGMFBOKVSA-N 386.518 -0.877 30 20 GBED Cc1c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)cn2[nH]cnc(=O)c12 1799154243 PIIWPPOZGGNAND-CLLJXQQHSA-N 397.391 -0.329 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cnc(O)[nH]2)[C@@H]1c1cccnc1 1812879931 DQAJNHKODDKERO-BLLLJJGKSA-N 383.364 -0.082 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831023514 MKDRCPPUBCIWHB-MLGOLLRUSA-N 387.458 -0.787 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831894112 UOYNQYHGQCXTQV-FZKQIMNGSA-N 395.481 -0.226 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OC)cn1)CCO2 1834532561 IYLOBUACPBGUNV-IBGZPJMESA-N 388.424 -0.031 30 20 GBED CC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834716365 RCLJCNKDZRKXLR-FAEOQQOKSA-N 397.428 -0.439 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(N)=O)CCO3)C2)c1 1839864423 SPGMHNFJTWMFEM-SFHVURJKSA-N 389.412 -0.778 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)NC(C)=O)CCO3)C1 1839875738 UTVGXSQARCARTQ-LIRRHRJNSA-N 379.457 -0.066 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)NC(=O)OCC)C2 1844237513 VTQCLRPHURLSGA-QWHCGFSZSA-N 383.445 -0.173 30 20 GBED O=C1CC[C@H](C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@@H]3CCCCO3)C2)N1 1844299947 BIDVNGIRTQTSMX-PQBAJORESA-N 378.429 -0.003 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CN(C)CCN1C 268829617 RROKWCFYVDQSGN-HIFRSBDPSA-N 379.486 -0.413 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1cc[nH]n1 278164491 PLGMLHPVXXEDOT-XLOANJQZSA-N 387.396 -0.094 30 20 GBED N#Cc1cc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)ccc1Br 293112889 PQGXEFGZYWYOAY-NSHDSACASA-N 381.186 -0.028 30 20 GBED C=CCn1c(=O)/c(=C/c2ccnn2C)s/c1=C(\C#N)C(=O)N[C@H](C)COC 298325699 VYHXERSREQNHIN-BUBRIKRTSA-N 387.465 -0.517 30 20 GBED CCS(=O)(=O)N1CC(C/N=C(/O)N2CCN(C)[C@H](c3nccn3C)C2)C1 329940040 BICDXDHTONIFFE-AWEZNQCLSA-N 384.506 -0.096 30 20 GBED C[C@@H]1CC(=O)NCCN1S(=O)(=O)CCCCS(=O)(=O)N(C)CC#N 349601313 OEJPQPZIPQFVFX-GFCCVEGCSA-N 380.492 -0.908 30 20 GBED C[C@@]1(c2ccc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)cc2)NC(=O)NC1=O 410140519 JBUNTAZHNDUCCT-BBRMVZONSA-N 393.425 -0.700 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H](O)[C@H](CO)C3)CC2)c(Cl)c1 410900005 ORWIGUJOPIWFED-XJKSGUPXSA-N 392.843 -0.328 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)NC[C@H]3CNCCCO3)CC2)cc1 420192103 QSWADYQPTFJSGK-GOSISDBHSA-N 385.468 -0.303 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2ccncc2F)CC1 496532536 DPSOPRBAZOMEFZ-CYBMUJFWSA-N 377.420 -0.156 30 20 GBED COC[C@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1)OC 515671508 MATCFJPNAXHGRX-RYUDHWBXSA-N 391.471 -0.183 30 20 GBED CCN(C(=O)CN(CCC#N)CCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 531143109 UUYHGDFODJMDQC-MRXNPFEDSA-N 386.518 -0.430 30 20 GBED C=CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 533065930 RRPWLBXSANNNBK-CYBMUJFWSA-N 387.483 -0.052 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CC(=O)N(C3CC3)C2)cc1 568252278 MYQILEIQFKJWJH-UHFFFAOYSA-N 398.466 -0.217 30 20 GBED C[C@H](N)[C@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 591366056 SHZIEDQYXMKURU-RRQGHBQHSA-N 399.451 -0.256 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC(=O)OCC)C(F)(F)F)C1=O 598051452 KZIUGPJDZUKGMW-QMMMGPOBSA-N 379.291 -0.037 30 20 GBED C=CC[C@H]1CCCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)C1 662947240 LIGAFJRYUDGZHH-AWEZNQCLSA-N 384.502 -0.753 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCC(=O)N3C)CC2)o1 752029299 DLLKUHTZTRDTIM-ZDUSSCGKSA-N 375.385 -0.333 30 20 GBED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 823931605 AUCBWTRCNJMUMB-UHFFFAOYSA-N 375.407 -0.115 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CNC(=O)Cc2cccc(F)c2)CC1 831556267 LBYSQUJFGJTHSR-UHFFFAOYSA-N 396.444 -0.904 30 20 GBED N#C[C@@H]1CNC[C@@H]1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 834511919 PXXGXUAZEXCMLJ-WBVHZDCISA-N 392.481 -0.132 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@@H](N4CCOC4=O)C3)CC2)c1 850605339 UCIDENGVABBHAX-OAHLLOKOSA-N 398.423 -0.345 30 20 GBED C#CCN1CCC(C(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)CC1 854833838 NOPOXMHISWSZJY-UHFFFAOYSA-N 390.531 -0.552 30 20 GBED N#Cc1ccc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)C4)C[C@@H]32)[nH]1 960265810 FOSGFSANZIVUHB-GUYJKWIASA-N 385.424 -0.160 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 963957674 SPQUFTDONIXLJZ-XGUBFFRZSA-N 386.470 -0.910 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c(OC)ncnc2OC)C[C@@H]1O 970711590 IFPDEGQBGQEMDJ-NDBYEHHHSA-N 392.412 -0.614 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@H]2C1 977195050 MTGKIFWOQSMGOH-FMIBNLNISA-N 391.468 -0.214 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CC(=O)NC2=O)cn1 1004739680 KHNOMKHUEHSXTN-KFWWJZLASA-N 381.392 -0.524 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccnc2C(N)=O)C1 1024012293 LOCUVSHPPBUQHN-NGFQHRJXSA-N 388.424 -0.537 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnn2CCOC)C1 1024296992 NFSHAKZYOUCHIB-ABFRBSLYSA-N 392.456 -0.188 30 20 GBED N#Cc1nccnc1N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1Cc2cncn2C(=O)N1 1055488593 VNILHGLCYJVBGT-PBOSXPJTSA-N 378.396 -0.047 30 20 GBED C#CCNC(=O)CC(=O)N(CC)C1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1079644714 PXMZCPVJRCATPS-DHSIGJKJSA-N 377.441 -0.763 30 20 GBED C=CCN1CC[C@H](N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2CCCNC2=O)C1=O 1097422772 HCTCMMGNOZJVAH-WCVJEAGWSA-N 375.473 -0.090 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC(=O)NCC 1109180867 TVQSURNPARBMLW-CRWXNKLISA-N 379.461 -0.366 30 20 GBED C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N[C@H](C)C(=O)N(C)C 1111489929 OHQVYJLACNUTGU-FPCVCCKLSA-N 380.489 -0.107 30 20 GBED C=CCN(C(=O)c1cc(N2CCNC(=O)C2)ccn1)[C@@H]1CCS(=O)(=O)C1 1116741377 OUUWCIYLCAPZCY-CQSZACIVSA-N 378.454 -0.167 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NOC[C@H]3CCOC3)C2=O)cc1 1117534415 RLPWLJHJJGCGAN-HOTGVXAUSA-N 386.408 -0.140 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 1117587543 XBPKXFHGPKVOQF-ZDUSSCGKSA-N 375.491 -0.993 30 20 GBED C=C(CNC(=O)[C@@H](C)N1CCN(C)CC1)CNC(=O)[C@@H](C)N1CCN(C)CC1 1118737302 BQEGMCFSHXNONW-QZTJIDSGSA-N 394.564 -0.953 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cncc(OCC(F)F)c2)CC1 1119113071 DAUGIMBVAUTYER-UHFFFAOYSA-N 388.396 -0.049 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NC)C1 1130032846 ONCVFRAUURKJOX-IVSAIRAKSA-N 376.461 -0.263 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N(C)Cc2ccco2)C[C@@H]1O 1220382787 OPNMGAYILVGAAI-NCOADZHNSA-N 377.441 -0.010 30 20 GBED C=CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1228575314 NCEMQXKUHXOSDK-FPCVCCKLSA-N 380.489 -0.059 30 20 GBED CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCC#Cc2ccccc2)C1 1256943867 KGDUAYLEEHTWMG-INIZCTEOSA-N 377.466 -0.058 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](O)CN1CCCC1=O 1319299272 MNLFIIQXXMQDRG-JSGCOSHPSA-N 394.453 -0.675 30 20 GBED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H](C(N)=O)c1ccc(C#N)cc1 1323164469 LUZPRCQHXMOOHP-HOCLYGCPSA-N 378.454 -0.290 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1nn(CCS(=O)(=O)CC)cc1C 1327030114 RAIPTBOXBBXMFN-ZDUSSCGKSA-N 384.458 -0.545 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@@]2(C)CCCS2)CC1 1334160822 HAXKLLDBOAVQPN-CQSZACIVSA-N 385.519 -0.452 30 20 GBED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1345712917 ZNDSMAAAYXNFKZ-OWCLPIDISA-N 393.488 -0.520 30 20 GBED C=C(C)C(C)(C)C(=O)N[C@@H]1CN(C(=O)CC(=O)NCc2cnn[nH]2)C[C@H]1O 1575039955 VIJZYFMANORISE-CHWSQXEVSA-N 378.433 -0.899 30 20 GBED Cc1nsc(N[C@@H](CO)CNC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)c1C#N 1577628749 SKPDNLVIXDQACG-OCCSQVGLSA-N 390.473 -0.005 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@H](C)CN=c1cc[nH]c(-c2nn[nH]n2)n1 1588404033 COZSKOAPZRWFPQ-YPMHNXCESA-N 387.448 -0.192 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@]1(C)CN(c2ccc(-c3nn[nH]n3)nn2)CCO1 1588505730 WHJDWCVVPXSVBV-IAGOWNOFSA-N 388.432 -0.305 30 20 GBED C=CCn1cc(C(=O)NC[C@@H](O)CNc2snc(C)c2-c2nn[nH]n2)nn1 1588712646 AUCHTFKKMVDONJ-SECBINFHSA-N 390.433 -0.388 30 20 GBED C=CCOC[C@H](NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)O 1602910478 ZCTOOWQLBKBCAB-MEDUHNTESA-N 383.401 -0.626 30 20 GBED CN(C[C@@H](O)CN(C)c1ccc(C#N)nn1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1604719687 GJKBMVIEQQBOSM-LBPRGKRZSA-N 382.388 -0.574 30 20 GBED CN(C[C@@H](O)CN(C)c1cnc(-c2nn[nH]n2)cn1)C(=O)CSCC#N 1604720614 UQASWEUBZZQKGX-JTQLQIEISA-N 377.434 -0.831 30 20 GBED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(O)(C(=O)O)C1 1605245506 BZTMDYFPQYRJMG-GFCCVEGCSA-N 395.437 -0.058 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C(=O)O)s3)CC2)CCO1 1608179744 ODHKSYHZDXDEQN-LLVKDONJSA-N 378.410 -0.154 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC(C)(C#N)C1 1609125631 JAWICWKOIULQJC-JTQLQIEISA-N 375.414 -0.094 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCCN(CC(N)=O)CC1 1609493704 RLGRAWGVNYOSFW-OAHLLOKOSA-N 382.428 -0.431 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4cncn4c3)C2)C1 1778696311 VXCLIAOOPVKKAF-IBGZPJMESA-N 382.376 -0.134 30 20 GBED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1783887426 YMKWCWUPSFMJHD-SJCJKPOMSA-N 381.454 -0.550 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)S)C2)C1 1783892205 BHKNNHVCBPVYKR-FIXISWKDSA-N 375.447 -0.801 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCOC)C[C@@H]21 1784480428 ZFDBWODAZXRLPO-QZWWFDLISA-N 382.457 -0.333 30 20 GBED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(N)=O)C3)c1 1792835736 JHXOZSCTNPBMQX-HGKCTWBKSA-N 399.451 -0.251 30 20 GBED O=C1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)CN1 1800524693 REWDXFHGNRXTSM-BNJZYBFZSA-N 391.472 -0.816 30 20 GBED COCCOCCOCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1800836427 ZFPOHBAIJQJPBT-JLVBRIDZSA-N 383.445 -0.441 30 20 GBED C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1)n1ccnn1 1825670474 DEQUWBMTANTEIL-UWVGGRQHSA-N 388.409 -0.004 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1833479406 MAGLAKCBMYUROV-IBGZPJMESA-N 389.408 -0.431 30 20 GBED CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)n[nH]1 1833821953 YCWMMNKPKKGOJS-QGZVFWFLSA-N 375.385 -0.404 30 20 GBED CN(C)C(=O)C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834598652 QVFGTCMIISFMOC-UHFFFAOYSA-N 375.473 -0.050 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838642723 IPBCQHKEGJFPHX-BDJLRTHQSA-N 382.442 -0.842 30 20 GBED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)n1ccnn1 1839704935 MDSNYTIKZCBWGX-RDTXWAMCSA-N 390.444 -0.155 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1839806772 DBXFCYPIHZHCJG-GOSISDBHSA-N 376.413 -0.175 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839856657 CRYAJZZXVYHIEL-KSSFIOAISA-N 383.445 -0.830 30 20 GBED CCn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n1 1840041615 XOEMXNXRHYZCSK-GOSISDBHSA-N 390.396 -0.939 30 20 GBED C[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)O1 1840042779 ODVXPNDOIWLJSJ-HBUWYVDXSA-N 380.397 -0.902 30 20 GBED O=C1NC(=O)[C@@H](CC(=O)N2CC3(CCCN3C(=O)/C=N/N3CCCCC3)C2)N1 1844258332 OSGBDRDZXVWQAR-BUESGFEBSA-N 390.444 -0.740 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)N2CCc3ccccc3C2)C1=O 264022902 YWGOWYTYWOBAST-UHFFFAOYSA-N 384.392 -0.336 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCCOCCC(C)C)c1=O 298767384 GOIBSUADDMWOMU-UHFFFAOYSA-N 380.445 -0.277 30 20 GBED CN1CCN(C(=O)CC/N=C(/O)N(C)C2CCN(S(C)(=O)=O)CC2)CC1 329935535 CNOHLFHQWAQOHK-UHFFFAOYSA-N 389.522 -0.580 30 20 GBED CN1CC[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)C3CC3)C[C@@H]21 349457244 FCOYVBCSBNVULA-HIFRSBDPSA-N 390.531 -0.340 30 20 GBED C[C@H]1[C@@H](C)N(C)CCN1S(=O)(=O)CCCCS(=O)(=O)N(C)CC#N 349620587 PZFXGHIKKJHSIQ-KGLIPLIRSA-N 380.536 -0.094 30 20 GBED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1 373143148 WEDVZPSCGQGENP-GFCCVEGCSA-N 382.446 -0.186 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)CCO1 409495854 ZGHZEOOJCKVXQS-RCCFBDPRSA-N 394.497 -0.072 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCCCCN2C(=O)NC3(CCCC3)C2=O)CCO1 409520883 TZXXMAXECNJMCM-ZDUSSCGKSA-N 399.473 -0.310 30 20 GBED CC(C)N(C[C@H](O)CO)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 421306564 OGCWOBVUWPNDON-ZDUSSCGKSA-N 389.387 0.412 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCn4c(O)nnc4C3)n2)c(F)c1 440791916 QLUJMWFBJOUXHT-UHFFFAOYSA-N 396.342 0.161 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)n1 444574021 VBRJPABSKSAAQR-UHFFFAOYSA-N 395.423 0.183 30 20 GBED COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 445199830 SLPVSAHLSNWBIE-UONOGXRCSA-N 398.379 -0.398 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1 485859120 YXSDKGTYUMBXAJ-CYBMUJFWSA-N 378.410 -0.473 30 20 GBED CCCCN(C(=O)Cn1c(=O)c(C#N)cn(C)c1=O)[C@@H]1CCS(=O)(=O)C1 491032843 PHPUOLXYOJOURQ-CYBMUJFWSA-N 382.442 -0.766 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N(CC(N)=O)CC(=O)OCC)c1 500679210 PTCYNCSKTABCIS-UHFFFAOYSA-N 383.426 -0.359 30 20 GBED C[C@@H]1CN(Cc2ccccc2NC(=O)C(=O)NCC(=O)NCC#N)C[C@@H](C)O1 508965386 FMKAJWWOFMNEFL-ZIAGYGMSSA-N 387.440 -0.010 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CCO1 510657040 IPJXJDWRBBEKMJ-NEPJUHHUSA-N 378.476 -0.998 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CC(=O)N(C)C1 517396054 ZLSTULHYXNYRDX-QWRGUYRKSA-N 386.455 -0.614 30 20 GBED C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(=O)NCC#N)cc2)C[C@@H](C)O1 557723388 ILEHZICDUVJTSB-BETUJISGSA-N 394.453 -0.146 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@@H]3COCCO3)C2=O)cc1 560240828 IQIZTBVDEATJOE-CVEARBPZSA-N 386.408 -0.693 30 20 GBED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCC#CCO)CC1 563499240 RYXMGVNQXMXKRL-UHFFFAOYSA-N 394.449 -0.014 30 20 GBED C[C@@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)S(C)(=O)=O 574595187 XULFNZJKKVHPCE-HOCLYGCPSA-N 392.481 -0.228 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cnccc3C#N)CC2)CC1 584738071 YHUIXYLTMXZWQJ-UHFFFAOYSA-N 378.458 -0.797 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@]1(C#N)CCSC1 610782314 QOJPNXHMWMXTQK-BMIGLBTASA-N 382.467 -0.032 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccnn2C)c1=O 758089705 NLVBPIKKDUOVLS-UHFFFAOYSA-N 399.476 -0.678 30 20 GBED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCC 778064363 VPZUYSAULOOIIN-UHFFFAOYSA-N 396.512 -0.136 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1cccnc1N1CCN(C)CC1)[C@@H]1CCCO1 803526540 AQRCMLOBESFLNY-IRXDYDNUSA-N 385.468 -0.253 30 20 GBED COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NCC(=O)NCC#N)C1=O 804821505 PMOHIXHLFQDIDF-GOSISDBHSA-N 387.396 -0.473 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCOC[C@@H]1C#N 820438048 GWUBWMAEDQLLMX-PWSUYJOCSA-N 391.413 -0.716 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O 860004696 LOUQVTJXKSBKOX-SNVBAGLBSA-N 384.433 -0.261 30 20 GBED C[C@@H](CC(=O)NCCN1CC[C@H](O)C1)/N=C1/NS(=O)(=O)c2ccccc21 863832269 WTZWSBZSHYLMDU-STQMWFEESA-N 380.470 -0.314 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2nc3c(s2)CCC3)CC1 896587565 VBJACMRULSNQTQ-UHFFFAOYSA-N 383.499 -0.073 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@H](c3ccnn3C)C2)c1=O 902573784 BFHNMVLTOQWFJM-HNNXBMFYSA-N 388.428 -0.692 30 20 GBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCCO[C@H]3C=C)C2)nn1 964615153 JDMSYLBUPVFIQK-VDERGJSUSA-N 375.429 -0.253 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2C(=O)CNC2=O)cn1 1006465993 NMFLIATUYZGRQV-KFWWJZLASA-N 381.392 -0.524 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC2CCN(C(=O)OCC)CC2)CC1 1116987350 BLAKQZJBYZOQMH-UHFFFAOYSA-N 392.456 -0.289 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)CC1 1117449833 OOSDABZEHDMICY-OAHLLOKOSA-N 386.456 -0.897 30 20 GBED C#CCNC(=O)CN1CCN(c2nnnn2[C@H]2CCOc3ccccc32)CC1 1119657415 LIVGLCMOWQAFDQ-INIZCTEOSA-N 381.440 -0.084 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)CC1 1120051676 BJVUYXUXDKCGFW-WBVHZDCISA-N 384.502 -0.014 30 20 GBED C=CCn1c(N2CCN(CC(=O)NCC)CC2)nnc1C1(CO)CCOCC1 1121503244 GDMVMLWJEZMMLX-UHFFFAOYSA-N 392.504 -0.237 30 20 GBED C=CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)n1 1130220852 ONYSAFLISHNKNY-CBBWQLFWSA-N 378.477 -0.212 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCCNC(=O)C(F)(F)F)C[C@@H]1O 1220382855 RGRIQJAWNZYKAZ-NDBYEHHHSA-N 379.379 -0.193 30 20 GBED CNC(=O)Cn1nc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)cc1C 1255482670 PTKVYOHKQVZPLN-UHFFFAOYSA-N 377.449 -0.430 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(S(N)(=O)=O)CC3)CC2)o1 1319554729 ZYXXQAZOWRQQCR-UHFFFAOYSA-N 396.473 -0.744 30 20 GBED N#CCCN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccccn1 1323562258 TVUUQEQCKADLBJ-AWEZNQCLSA-N 379.442 -0.190 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC1CCN(c2cc(C)[nH]n2)CC1 1324412686 MJXBUSORFOZVPD-UHFFFAOYSA-N 383.474 -0.480 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 1325408534 WAGRREOFLJUXTM-AWEZNQCLSA-N 376.457 -0.510 30 20 GBED CN(C)S(=O)(=O)N(CC#N)CC(=O)N1CCC(C(=O)N2CCCC2)CC1 1325865783 GYEHPLLHQKFKAS-UHFFFAOYSA-N 385.490 -0.521 30 20 GBED CO[C@H](CNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(F)(F)F 1346328091 VEVIAWSHOFNNJC-ZAGORRGESA-N 378.307 -0.678 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCn3ncc(Br)c3C2)C1 1346994718 JIMQKTFMZWGHFF-CQSZACIVSA-N 382.218 -0.135 30 20 GBED C#CCNC(=O)CC(=O)N1CC[C@H](N(CC)C(=O)[C@@H](C)OCc2cnn[nH]2)C1 1575004816 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N#CC1(NC(=O)COC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CCC1 787000789 QPSVLAZXPULRQB-OAHLLOKOSA-N 392.456 -0.195 30 20 GBED Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCCNc3ncccc3C#N)C2=O)cn1 787777123 HTARDLWOYNIYPK-CQSZACIVSA-N 396.411 -0.863 30 20 GBED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)NCCCCC#N)CC1 793830209 ZWPHESCWJYMLTJ-UHFFFAOYSA-N 395.460 -0.008 30 20 GBED C#CCCCNC(=O)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 806909101 XOUICRDHZPRSSY-UHFFFAOYSA-N 387.465 -0.070 30 20 GBED C#CCCS(=O)(=O)NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 810786527 MROWIESYRNVMHV-UHFFFAOYSA-N 386.451 -0.210 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCO[C@H](C#N)C1 820438233 LEFPKGHDMOBYHX-ZYHUDNBSSA-N 391.413 -0.716 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(CCC)[C@@H]2CCS(=O)(=O)C2)c1=O 835957534 OWAHEXKNEWAMAO-CQSZACIVSA-N 398.485 -0.600 30 20 GBED CCOC(=O)CON=C(C(=O)NCCN1C[C@@H]2CC[C@H](C1)O2)c1cc[nH]n1 836866816 RLGSBGMBDFKMKX-BETUJISGSA-N 379.417 -0.327 30 20 GBED C#CC1(O)CN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 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386.368 -0.230 30 20 GBED N#Cc1cc(C(=O)N2CCO[C@@H](CN=c3cc[nH]cc3-c3nn[nH]n3)C2)c[nH]1 1592685763 KTYRPDNWXYVNNE-ZDUSSCGKSA-N 379.384 -0.164 30 20 GBED C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1648799872 UMQMBCZZOJOCEZ-CORIIIEPSA-N 398.510 -0.025 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1781391258 SCCLPEHNHYGYBL-HBUWYVDXSA-N 380.445 -0.104 30 20 GBED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)CNC(N)=O)CCO3)C2)c1 1781969812 OLSQBIBLIZIWRY-GOSISDBHSA-N 389.387 -0.191 30 20 GBED CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783683655 JGQGUQUOMXXLIU-IHRRRGAJSA-N 395.529 0.000 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cnc4ccccc43)C2)C1 1783751502 IMPHUJXZWCRERO-HXUWFJFHSA-N 396.403 -0.046 30 20 GBED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(N)=O)C[C@@H]32)cc1 1789575356 PWBXCBPGRLLOQL-JYJNAYRXSA-N 385.424 -0.180 30 20 GBED C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CNC1=O)C2 1793579940 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CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 349463123 JBIMIBBQHQABNP-SOUVJXGZSA-N 392.547 -0.094 30 20 GBED C[C@@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncccc1C#N 349471067 DEPAIVHIUOUYMI-NSHDSACASA-N 376.460 -0.273 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCOCC(F)(F)C1 349504961 SWIZMIFJFAMRNX-UHFFFAOYSA-N 389.446 -0.151 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)NCC(C)(C)O)ccc1C#N 349580459 ZSDRRHSVXUDGSH-UHFFFAOYSA-N 390.487 0.084 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 375582129 DWBUIHHJDYVCLH-OAHLLOKOSA-N 387.506 -0.493 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CCO1 409537137 OQQQASQGUMLSJL-HNNXBMFYSA-N 385.490 -0.914 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC1CCN(CC(=O)N(C)C)CC1 410133516 ZDIDUDHYCZCULC-UHFFFAOYSA-N 375.495 -0.765 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)Nc1cnn(CC(=O)N2CCN(C)CC2)c1 410162158 PDTCTMLVPITMQJ-AWEZNQCLSA-N 397.505 -0.205 30 20 GBED CC(C)(C)S(=O)(=O)N1CCC(NS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 410389274 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N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCCN(S(N)(=O)=O)C3)CC2)c1 596705278 LDLVZVIQTUFGTI-AWEZNQCLSA-N 378.458 -0.483 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 615630857 GVRBQBBDZPEMTM-MRXNPFEDSA-N 378.364 -0.855 30 20 GBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1 728572526 IMONYCYXNGILFC-OAHLLOKOSA-N 383.452 -0.273 30 20 GBED CCOC(=O)CON=C(C(=O)NC[C@@H]1CCCCS1(=O)=O)c1cc[nH]n1 772544643 PNHZWLKZFGMRPD-NSHDSACASA-N 386.430 -0.223 30 20 GBED C=CCn1cc(C(=O)OCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)nn1 830142717 YHJIOZKPUOQMIR-UHFFFAOYSA-N 390.400 -0.398 30 20 GBED C=CCn1cccc1C(=O)N1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](OC)C1 946762340 KVEALSCRTMCEMV-SLBVQIDZSA-N 390.440 -0.337 30 20 GBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]21 960957329 CXXOUAFTULGKGB-FXUDXRNXSA-N 385.424 -0.338 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc(OC)nc2)C1 970290671 MSCHVCZQVYFBIF-KBXIAJHMSA-N 376.413 -0.232 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1C(=O)CNC1=O 996936261 ZXZVIWNLZXLPFD-RVFOSREFSA-N 390.440 -0.233 30 20 GBED C=CCCN1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)[C@@H]2CS(=O)(=O)C[C@@H]21 1094647925 HNAZRBSDUKUNOV-SMLCLMEVSA-N 384.498 -0.076 30 20 GBED CC(C)CN1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CC1=O 1110618013 MMXJTCKVIHOWJP-FPCVCCKLSA-N 375.473 -0.148 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@@H]4OCC[C@@H]4C3)CC2)c1C#N 1118249090 HSTABFVRWQTUPH-ZBFHGGJFSA-N 386.456 -0.114 30 20 GBED CCc1nc(C#N)cc(N[C@@H](CO)CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)n1 1122932063 SFBDZPSRORHLNO-XZBIERFOSA-N 375.429 -0.149 30 20 GBED CN1CCN(Cc2cccc(C(=O)NCCn3cc(C#N)c(O)nc3=O)c2)CC1 1148392895 MWNUDXNSTLIDDR-UHFFFAOYSA-N 396.451 -0.002 30 20 GBED N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCOCC2)CCO1 1303005068 WEXGUDOCMBAHTM-LSDHHAIUSA-N 389.460 -0.320 30 20 GBED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)C(C)C 1303412603 ZOVOSIWHQAAMAL-CYBMUJFWSA-N 377.449 -0.083 30 20 GBED C=CCn1cnnc1S(=O)(=O)CC(=O)N[C@H](C(=O)NC)c1ccccc1 1319252173 PDSMUQIDSHLVCV-AWEZNQCLSA-N 377.426 -0.159 30 20 GBED C[C@](C#N)(NC(=O)COC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CC1 1321601091 KFHJDNJYVCGMFA-XTQGRXLLSA-N 397.453 -0.626 30 20 GBED CC(C)CN1C[C@H]2CN(C(=O)C(=O)NC3CCN(CC#N)CC3)CCN2C1=O 1322562612 MJCSTWSPMFYUDM-MRXNPFEDSA-N 390.488 -0.305 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2)C1 1327517902 BBIPQBNDVJLZOC-LSDHHAIUSA-N 380.514 -0.424 30 20 GBED CN(C)C(=O)CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1327659747 YVBXLPUQVQXLJY-UHFFFAOYSA-N 375.404 -0.060 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)C[C@H](C)O1 1332762499 UBBUAFRAYGBLQT-AAEUAGOBSA-N 375.385 -0.730 30 20 GBED C[C@H]1CN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCN1S(C)(=O)=O 1337289474 NRUSICXGYPQKEP-IVPXEPLCSA-N 385.446 -0.812 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NC[C@H]1CC1(Cl)Cl 1340244236 MPQXHUWIUBVRPX-IRXCETGXSA-N 375.212 -0.061 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCc2ccccc2[C@@H]1CO 1342098775 NYIFFTUPQKYJIX-DVEDPGPFSA-N 398.419 -0.253 30 20 GBED C[C@@H]1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C[C@@H]1NC(=O)C(F)(F)F 1346994176 DLCSLSJTIGFUKG-JRPNMDOOSA-N 390.362 -0.221 30 20 GBED COc1cccc([S@@](=O)CC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 1356118667 MYAXPFUOEHWAFH-PWECECGKSA-N 398.462 -0.231 30 20 GBED C=CCn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1[C@@]1(O)CCOC1 1520628516 WJFNVDJAACSSEK-LJQANCHMSA-N 390.488 -0.184 30 20 GBED C=CCCO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[nH]n3)nn2)C1 1573335791 DNQZFXVGBSIRAZ-YVEFUNNKSA-N 388.432 -0.305 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H](N)C1 1574935880 DHMDGVMVMJMAQK-YNEHKIRRSA-N 382.490 -0.734 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1CC(NC(=O)CCCCc2cnn[nH]2)C1 1575108089 GFRKVFQCQFMECV-LBPRGKRZSA-N 377.449 -0.282 30 20 GBED COCC#CCN1CC[C@@H](NC(=O)C2CCN(Cc3cnn[nH]3)CC2)[C@H](O)C1 1576954007 ULVRAQQJHHXRQU-QZTJIDSGSA-N 390.488 -0.782 30 20 GBED C#CCOCCC(=O)NC[C@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCCO1 1588361537 PAJCHAIWUDPAEG-ZDUSSCGKSA-N 386.416 -0.592 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCc3cc(-c4nn[nH]n4)ccc32)C1=O 1588655244 ZOHGCXBGOVLXNX-ZDUSSCGKSA-N 395.379 -0.053 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 1592702892 IMMUKHGITUYBHG-UHFFFAOYSA-N 391.395 -0.022 30 20 GBED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[nH]n3)cc2)n1 1602689337 CZSJEZWWKDDYMV-LLVKDONJSA-N 379.384 -0.075 30 20 GBED C#CCOCCC(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nn[nH]n3)cn2)C1 1602726440 FVQWHTJEXLCDJW-QGZVFWFLSA-N 386.416 -0.538 30 20 GBED C#CC[C@H](NC(=O)[C@@H]1C[C@H](C)C[C@@H]1C(=O)N[C@H](CC#C)C(=O)OC)C(=O)O 1609076833 ZZFOMAWFCRAJPU-AIEDFZFUSA-N 376.409 -0.078 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CCC(=O)O)C(=O)OC)c1 1609162059 BCUSXGUYKGEWAO-CYBMUJFWSA-N 382.394 -0.266 30 20 GBED CO[C@]1(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCS(=O)(=O)C1 1618731563 NLBLGERPGLPVTL-MAUKXSAKSA-N 391.449 -0.021 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)C(C)C)C1 1757181116 WIDFRGHEMYJASX-FQLMCAECSA-N 388.486 -0.521 30 20 GBED CC(=O)N(CC(=O)O)C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2)CCO1 1776202744 YXYQTNJLMDSSBO-CQSZACIVSA-N 381.410 -0.119 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccn4nccc4c3)C2)C1 1778740953 ZOMGHSHIXXFUFK-LJQANCHMSA-N 382.376 -0.134 30 20 GBED CC(C)(C)[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782009630 RERSTRRWVYDICU-ACWOFJMJSA-N 380.441 -0.005 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(C)=O)C2)C1 1783189987 RYVOZLOXAJSALU-DNVCBOLYSA-N 381.473 -0.084 30 20 GBED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)CCC1 1785367125 XUGPMSFCFNBSEJ-GOSISDBHSA-N 387.444 -0.157 30 20 GBED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2)[C@@H]1SC(=N)NC1=O 1796423819 WLPJUAATWLVOLJ-QTCIEIIFSA-N 379.442 -0.708 30 20 GBED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1 1797233763 HJTWUURJFULOTD-CYGHRXIMSA-N 398.573 -0.222 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](O)CN1 1799140788 NNBDPXSXMRAERU-VTMBPIDISA-N 382.461 -0.900 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1810247733 ADKVDXVWWMRLFA-LTIDMASMSA-N 389.500 -0.054 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1830060579 POTUTLDMLDKCPG-QGZVFWFLSA-N 376.417 -0.716 30 20 GBED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831279832 SRSRAROQONNWPZ-INIZCTEOSA-N 389.399 -0.210 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(=O)C3)C2)C1 1831402576 LADUGODWWYKPTI-KUHUBIRLSA-N 378.425 -0.540 30 20 GBED CO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447436 OSLUECFPAGMNED-AZSZKOAISA-N 396.488 -0.051 30 20 GBED N#CCCC(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837794009 UIUOSCITIGSRAZ-UHFFFAOYSA-N 375.433 -0.025 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838102055 VIPLFNVBPAEPNJ-SCLBCKFNSA-N 393.396 -0.512 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)Cl)C2)C1 1840044043 IZYHFAVOWMRKDJ-ZDUSSCGKSA-N 380.731 -0.638 30 20 GBED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044335 DHGWEOQJXVKSPQ-INIZCTEOSA-N 386.351 -0.258 30 20 GBED COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840165880 MNKFBGGZLVEWSD-IAQYHMDHSA-N 375.447 -0.883 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1840840663 GSTFUTNEGVNTKJ-GOSISDBHSA-N 379.413 -0.692 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1840841856 ZDUIYOCAJVMHBB-UYAOXDASSA-N 386.452 -0.049 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)C(C)(C)NC(C)=O)C1 1841620890 OITURICCLOZIES-FPLPWBNLSA-N 376.457 -0.037 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2 1844158558 BALGIQUTJBYFPM-CYBMUJFWSA-N 375.385 -0.232 30 20 GBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCN(CC(=O)NC3CC3)CC1)CC2 270212593 QYGKBOFLMCWHSI-UHFFFAOYSA-N 381.436 -0.130 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)N(C)C)cc1 290375912 LHRJSNKQHYOGFH-UHFFFAOYSA-N 382.442 -0.452 30 20 GBED C#CC[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)[C@@H]1CCS(=O)(=O)C1 290841381 IHLNKMGMJFXMSO-HZPDHXFCSA-N 398.506 -0.156 30 20 GBED COCCn1cc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 291555632 MONXCAFLERYPRT-UHFFFAOYSA-N 377.426 -0.004 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)NCCCCS(N)(=O)=O)cc1 294433811 OXJDGXCHJSTUOM-UHFFFAOYSA-N 375.472 -0.051 30 20 GBED CCN1CCC(/N=C(/O)CN2CCN(C(=O)CN3CCOCC3)CC2)CC1 329172212 ACLFFYNNLZQRNR-UHFFFAOYSA-N 381.521 -0.096 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](N2CCCC2=O)C1 349459756 HSQFHTLLYNXWNO-QWHCGFSZSA-N 392.503 -0.766 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1C[C@H]2[C@@H](O)CC[C@H]2C1 349599042 APAUWENOHZUQMZ-MJBXVCDLSA-N 379.504 -0.416 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1C[C@H]2[C@@H](O)CC[C@H]2C1 349619037 OWTXTALEARJFRM-BARDWOONSA-N 393.531 -0.027 30 20 GBED CCN1C(=O)[C@@H]2CN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CCN2C1=O 362305246 JZQLWMCZPFRVAH-CVEARBPZSA-N 390.488 -0.353 30 20 GBED COC(=O)CCN1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1=O 501161719 GNGIOCFRIBGPAY-LLVKDONJSA-N 396.381 -0.091 30 20 GBED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(C(=O)CO)CC2)CC1 539481740 WNMSVCGLDBHFKV-OAHLLOKOSA-N 391.497 -0.407 30 20 GBED COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 567259416 UAAIMZVISVGFNH-NSHDSACASA-N 382.398 -0.244 30 20 GBED CCCNC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 574532765 QGOQDLOQOXYLGO-UHFFFAOYSA-N 388.471 -0.365 30 20 GBED C[C@H](N)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCO1 591577163 RYLYERNUIYOMLK-SUMWQHHRSA-N 389.431 -0.079 30 20 GBED CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)c1 592304250 GTIWNCRXGMENLV-INIZCTEOSA-N 380.426 -0.248 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CO)CCF)cc1 594628744 GLVGWJODTLERHR-NSHDSACASA-N 379.435 -0.171 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCc2ccccc2F)C1=O 726043598 YRDSGIDYRDQDBR-UHFFFAOYSA-N 377.328 -0.038 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NCC#N)cc1 731236029 OQRPQYIHFYYMQO-UHFFFAOYSA-N 382.398 -0.504 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1 747993318 FTOGAEUEUWYVQT-UHFFFAOYSA-N 381.396 -0.411 30 20 GBED N#Cc1cccc(CNC(=O)COC(=O)Cn2cc(S(N)(=O)=O)cn2)c1 748422977 UQJXQCOPPXQMTP-UHFFFAOYSA-N 377.382 -0.738 30 20 GBED C#CCNC(=O)COC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCOC 749957587 VHIWIEGSZJVGLT-FQEVSTJZSA-N 399.403 -0.096 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767630425 ZVYBYIZVGOFPSY-LLVKDONJSA-N 394.409 -0.220 30 20 GBED Cn1c(=O)c2cc(C(=O)NS(=O)(=O)CC3(C#N)CCC3)cnc2n(C)c1=O 771072559 XROVSXJGUSYUPU-UHFFFAOYSA-N 391.409 -0.614 30 20 GBED COC[C@@]1(C)NC(=O)N(CN2CCN(c3c(C#N)c(C)nn3C)CC2)C1=O 788043604 FYTNKQPGTMFPMO-QGZVFWFLSA-N 375.433 -0.363 30 20 GBED CS(=O)(=O)[C@@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 800630662 NGDFHYVXJXOBJB-LLVKDONJSA-N 385.467 -0.239 30 20 GBED Cc1nonc1CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 808241932 NOACDRHXFUVUGA-AWEZNQCLSA-N 382.380 -0.217 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1csc(C(=O)O)c1 814883757 ZMSBDSOFXRDMCQ-UHFFFAOYSA-N 386.411 -0.454 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(N3CCOC3=O)c2)CC1 831556995 YRYAWZSAYPZFJM-UHFFFAOYSA-N 392.437 -0.131 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2CCC)c1=O 853468342 ZWAWVSBTQONXDY-UHFFFAOYSA-N 381.461 -0.069 30 20 GBED CN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)cn2)C1=O 1055100737 DNGAWUIXELUMCB-AGIUHOORSA-N 382.380 -0.400 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](C)NC(=O)CC 1109323981 QSGGPLUCVLTOOS-MQYQWHSLSA-N 379.461 -0.366 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnc2ccc(OC)nn12 1110734199 CJTSYAJFVMUKSD-MCIONIFRSA-N 382.424 -0.178 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCC(C)(C)[C@@H]2COCC23OCCO3)nn1 1118116614 HEYJXPNZKNINQV-AWEZNQCLSA-N 393.444 -0.388 30 20 GBED C=CCn1c(CS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1121704700 KVAKZXXLPKJSOL-CYBMUJFWSA-N 383.474 -0.164 30 20 GBED CN(C[C@@H](O)CN(C)c1cncc(C#N)n1)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1125352800 KTUBQWHYJYXCQD-NZUILWFCSA-N 375.429 -0.345 30 20 GBED CN(C)Cc1ccc(S(=O)(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1192715267 MPSXWKQIMYPWHK-UHFFFAOYSA-N 377.426 -0.139 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 1219991175 KGMVPYIUVGGQCM-NPSOMJIGSA-N 380.445 -0.881 30 20 GBED CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC(C)(C#N)CC2)CC1 1325289254 HPTORWOHEQSCAT-HNNXBMFYSA-N 375.473 -0.096 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(C(=O)N(CC)CC)CC2)nn1 1325949079 YNPHBVNECJLGDE-UHFFFAOYSA-N 377.449 -0.314 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)nn1 1326239781 TYKKPRMXKKNGGX-ZDUSSCGKSA-N 386.416 -0.874 30 20 GBED C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1326661469 SOWFEZSVFAMYQM-CVEARBPZSA-N 386.456 -0.541 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1 1328269688 CWPLEPYRKADMEC-IRXDYDNUSA-N 382.486 -0.812 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cn2)c(=O)n1C 1331425193 IYMRGBSITWEZJL-UHFFFAOYSA-N 378.841 -0.239 30 20 GBED CNC(=O)CCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 1332612675 OVIIDYJKINFUAD-NSHDSACASA-N 380.426 -0.095 30 20 GBED C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 1334059628 IYSGGNDPGKVVQK-OAHLLOKOSA-N 395.485 -0.071 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](C)Cn2ccnc2C)CC1 1334937880 ZAEVVIUTTDZRIJ-AWEZNQCLSA-N 382.490 -0.378 30 20 GBED CN(CCNS(C)(=O)=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1337827121 WTIXEGHXVILTNT-NWDGAFQWSA-N 389.478 -0.064 30 20 GBED C=C(C)COCCNC(=O)C(=O)NCCNS(=O)(=O)c1cccs1 1343164652 WLJIUJUXEFNPHK-UHFFFAOYSA-N 375.472 -0.149 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@@](O)(CC#N)C3)CC2)c1C#N 1345974932 ZUOVJSMTZAHIBZ-SFHVURJKSA-N 385.428 -0.874 30 20 GBED N#Cc1nc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)cnc1-c1nn[nH]n1 1571117356 KBLWASRLZOVQFH-SNVBAGLBSA-N 375.418 -0.467 30 20 GBED C[C@H](C#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 1573569819 FUKLJZTVFFFFNO-DIFFPNOSSA-N 384.400 -0.202 30 20 GBED C#CC1CCN(C(=O)C(=O)N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CC1 1588332261 IBWXZPOTWYOPJJ-UHFFFAOYSA-N 394.439 -0.218 30 20 GBED C=CCOCCCC(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588680769 CKNAVQSSAVXAML-KGLIPLIRSA-N 389.416 -0.521 30 20 GBED C=CCOCCCC(=O)N[C@@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O 1588683233 ZPPFMGHEIHKNTR-TZMCWYRMSA-N 388.432 -0.305 30 20 GBED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O 1592697500 JJGBNJNCKVTPLV-CYBMUJFWSA-N 378.352 -0.196 30 20 GBED CS(=O)(=O)N1CCC(C(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)CC1 1778114837 ZSBZHXDNQDBBQA-KRWDZBQOSA-N 398.485 -0.598 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)n3cnnn3)CCO2)C1 1778977023 XRMIOWASCXFCTF-DEYYWGMASA-N 392.460 -0.363 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779021608 QXGSKLNLAMCOCA-OAPRFOFOSA-N 393.488 -0.187 30 20 GBED CCOC(CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)OCC 1783567272 LRZSFVBTRIXAST-GOSISDBHSA-N 382.413 -0.307 30 20 GBED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1783889810 NINNIWXJWUIXSS-DIFFPNOSSA-N 393.469 -0.612 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCNC4=N)C[C@@H]32)c1 1789344210 ZSLUBPCKLIXFLI-DZKIICNBSA-N 399.455 -0.680 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C)cn1)C2 1792485124 CWBBLOLBSORQDD-OLDVJPBNSA-N 387.440 -0.518 30 20 GBED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1)C(F)(F)F 1793421629 RSVFHSHZXNOTBF-VLEAKVRGSA-N 377.319 -0.197 30 20 GBED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1795277523 CUJURCINMUVRMS-STEXWYFWSA-N 383.448 -0.650 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nnsc1C1CC1 1796644708 WHNGNDDBJZXSDL-GNXNZQSNSA-N 390.421 -0.293 30 20 GBED C[C@@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797811279 JSCGNMLVIKPILB-ZOHGXAGCSA-N 382.461 -0.300 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1830051103 XBIUXWGZHGRVHS-IFXJQAMLSA-N 392.456 -0.481 30 20 GBED NC(=O)[C@H](N)CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831670487 YETSLAJCYRKEMU-CABCVRRESA-N 392.456 -0.713 30 20 GBED CC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1834715996 HMTKDYHEAMNSRR-KDCXGNEQSA-N 377.397 -0.256 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835704946 ABIDDXMYSFTKFT-QUCCMNQESA-N 386.452 -0.049 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)C4CC(=O)C4)C3)C2)c1 1838742982 VOKKOSPSWJENNG-IBGZPJMESA-N 386.408 -0.065 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1840165851 MCKNYLLVQAGJOD-DOMZBBRYSA-N 394.515 -0.804 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1840170714 VQKBNJSEVSDAIG-YJBOKZPZSA-N 390.444 -0.506 30 20 GBED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(c2cc(C#N)ccn2)CC1 29445124 VFUJLKKXCMNPOR-GFCCVEGCSA-N 397.439 -0.674 30 20 GBED CCOCCCNC(=O)C1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 42108898 VCQAHIUXCYCAQK-UHFFFAOYSA-N 377.445 -0.285 30 20 GBED CCn1c(Sc2c(C#N)c(=O)n(C)c(=O)n2C)nnc1N1CCOCC1 105638174 PVZJZTXZQJWLNW-UHFFFAOYSA-N 377.430 -0.445 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)CC1 265029767 ONWZKDRNDXBGDN-UHFFFAOYSA-N 391.472 -0.619 30 20 GBED CCN1CCN(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)C1=O 268042988 YUQMLGXFEPKECM-ZDUSSCGKSA-N 393.444 -0.351 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCN(C(=O)C2CC2)CC1 268353474 RXAGACXPOFDVPC-OAHLLOKOSA-N 397.483 -0.060 30 20 GBED C=CCN(CC=C)C(=O)CN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O 268630107 PVSWNLHDJWNNJU-UHFFFAOYSA-N 378.429 -0.300 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C(=O)OC)cc(OC)c1OC 271973369 GGEVCPHDXDQCAH-UHFFFAOYSA-N 379.369 -0.153 30 20 GBED CN1CCN(C(=O)CC/N=C(/O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 329574712 AUDUYOWITABHJT-KFZJALRRSA-N 392.456 -0.341 30 20 GBED Cc1cc(C)n(CC(=O)N2CCN(C/C(O)=N/[C@H]3CCS(=O)(=O)C3)CC2)n1 329753805 KHXXMTFAIURNEB-HNNXBMFYSA-N 397.501 -0.212 30 20 GBED C[C@H](/C(O)=N/CCC(=O)N1CCOCC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 329833248 GIKZWHWHJRYMPS-URFZWBKFSA-N 379.413 -0.257 30 20 GBED C[C@H]1C(=O)N(C)CCN1S(=O)(=O)CCCCS(=O)(=O)N(C)[C@H](C)C#N 349599548 KALQIIDYYCUPOR-OLZOCXBDSA-N 394.519 -0.567 30 20 GBED CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 423080988 CCWNUPCLIFEDKO-KRWDZBQOSA-N 383.452 -0.061 30 20 GBED COCCN(CC#N)C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 457201750 HWCWCHSIXWAEPQ-LBPRGKRZSA-N 380.426 -0.315 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 465415866 JILRQKNCYOBTKO-CYBMUJFWSA-N 393.411 0.134 30 20 GBED COC(=O)CN(CC#N)C(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 474133255 OFJYNJJAWWERRF-UHFFFAOYSA-N 379.369 -0.033 30 20 GBED CN(CC(=O)N[C@@H](CO)c1cnn(C)c1)S(=O)(=O)c1ccc(C#N)cc1 481845785 JAZXFRUOUXNWTL-HNNXBMFYSA-N 377.426 -0.238 30 20 GBED N#CCNC(=O)CNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 553341178 NDVCMKIAZARTRF-UHFFFAOYSA-N 395.441 -0.854 30 20 GBED COC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 565221190 KDXPQNUYEUNHMI-UHFFFAOYSA-N 386.411 -0.824 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCc2ncn(C)n2)cc1 567521280 XQURTSQPJMCKHN-NSHDSACASA-N 398.470 -0.474 30 20 GBED COCCNC(=O)C1(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 592807129 VQYPDPIBNSGORT-UHFFFAOYSA-N 380.426 -0.752 30 20 GBED COC(=O)CC[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 593616314 ZFPXJOAOIWIJEQ-NEPJUHHUSA-N 391.446 -0.291 30 20 GBED N#CC(C#N)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1CC(N)=O 733788194 NBLWZBJWBOOLPK-UHFFFAOYSA-N 390.222 -0.421 30 20 GBED C#CCNC(=O)C1CCN([C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)CC1 747969221 WAKXKYVBFLWUMW-GDBMZVCRSA-N 383.514 -0.128 30 20 GBED C#CCN1CCN(C(=O)CN(C)CCNS(=O)(=O)c2ccc(C)cc2)CC1 748823623 XDQXSVJNCABTAE-UHFFFAOYSA-N 392.525 -0.017 30 20 GBED C#C[C@H](CC)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 753886370 BULISFGNZFAUHT-MGPQQGTHSA-N 375.429 -0.015 30 20 GBED CC(=NNS(C)(=O)=O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 764706782 FNIHADRFEBUYLS-UHFFFAOYSA-N 383.473 -0.315 30 20 GBED C[C@@H](O)C(=O)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 766026376 OKVCBHMQBGPLSM-GFCCVEGCSA-N 394.453 -0.833 30 20 GBED C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1)[C@H]1CCCO1 775330216 PWJLHWAVVVCEJR-ZIAGYGMSSA-N 399.494 -0.041 30 20 GBED CCN(C)c1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cn1 790172433 ORSCFLMQPULPAZ-UHFFFAOYSA-N 380.430 -0.753 30 20 GBED C=CCS(=O)(=O)CCNC(=O)NCc1ccc(S(=O)(=O)CCO)cc1 790474856 WWUIVGIUUVYREM-UHFFFAOYSA-N 390.483 -0.147 30 20 GBED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)OCC(=O)Nc1cccc(C#N)c1 803860930 KCCHBLLECSTPBM-UHFFFAOYSA-N 390.377 -0.091 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)OCCn2cc(C(N)=O)nn2)cc1 805941232 TUKYUEQJLXEYMV-UHFFFAOYSA-N 379.398 -0.302 30 20 GBED C#CCN1CCN(C(=O)CN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CC1 808766901 UBPSDCYLROQKIB-MRXNPFEDSA-N 382.530 -0.442 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)CC1 831568764 RCRLQMLXZSUOER-NDBYEHHHSA-N 395.403 -0.046 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc(OCCOC)cc2)CC1 831574665 LLTVXGTVYLJHQB-UHFFFAOYSA-N 395.481 -0.134 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC([C@@H](O)C(=O)O)CC1 833523351 MXNXLHOIXSJRHL-IAQYHMDHSA-N 395.437 -0.091 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@]3(CCCN(C)C3)C2)c1=O 840086649 NORACULOQBNKTK-LJQANCHMSA-N 375.473 -0.081 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](O)[C@H]2C)cc1 848636485 PNUKGLICPUXMGB-CZUORRHYSA-N 397.478 -0.022 30 20 GBED C#CCN1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2ccon2)CC1 848969106 ZLVUQDOCHHVOQG-UHFFFAOYSA-N 390.487 -0.223 30 20 GBED CN(C)C(=O)Cn1cc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2F)nn1 861014004 UZYMNDKCLCKNGK-UHFFFAOYSA-N 394.388 -0.363 30 20 GBED CCOCCCNC(=O)[C@@H](C#N)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 916867969 IKGGELDTISXFTA-ZDUSSCGKSA-N 380.426 -0.264 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CCC)nn2)C[C@H]1O 1023958795 VFOVLJLVORNYOD-XOUADPBQSA-N 377.445 -0.029 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cccc(C)c2=O)C[C@H]1O 1025710474 QVOBXTVREHJNBJ-FPCVCCKLSA-N 375.425 -0.564 30 20 GBED Cn1c(=O)ccn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(C#N)n2)c1=O 1055464565 AGLWLESUNMDOQU-MCIONIFRSA-N 381.396 -0.865 30 20 GBED Cn1c(CN2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2cc(C#N)c[nH]2)cc(=O)n(C)c1=O 1095285737 SHNRZDDWQRTYGI-INWMFGNUSA-N 382.424 -0.181 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnnn1C 1109218849 YYKLMODISCXNHQ-RNJOBUHISA-N 375.433 -0.450 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1coc(S(N)(=O)=O)c1 1109460863 CQZHDRYXWPZCTM-AGIUHOORSA-N 380.426 -0.989 30 20 GBED C#C[C@@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)Nc1nnn(C)c1C 1118348103 CHMYVDPAQQJDGG-LLVKDONJSA-N 377.492 -0.071 30 20 GBED C#CCN1CCCC[C@@H]1c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC=C 1121634923 YZFJMVUMVFXYQG-JKSUJKDBSA-N 397.483 -0.229 30 20 GBED C#CCCN1CCC(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 1318659948 AVPIWLIWWNGALA-HNNXBMFYSA-N 394.497 -0.244 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCN1C(=O)CCC1=O 1322792465 NDCZYGUZNRECKG-UHFFFAOYSA-N 386.408 -0.202 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](O)CN2CCCC2=O)c1 1322898606 MSCUIKQDNGFUIK-CQSZACIVSA-N 381.454 -0.136 30 20 GBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3C2CCNCC2)C1 1326583904 GMKZYGZYKASGMN-LQKXBSAESA-N 388.472 -0.458 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC(NC(=O)C2CC2)CC1 1327501998 BKVXEMYMMZUMML-UHFFFAOYSA-N 384.440 -0.001 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 1329711661 RYYZSOXPANFUGR-UHFFFAOYSA-N 381.479 -0.030 30 20 GBED CCS(=O)(=O)N1CCC(C(=O)NS(=O)(=O)c2cncc(C#N)c2)CC1 1330212902 PQPNZEVJDGEHON-UHFFFAOYSA-N 386.455 -0.180 30 20 GBED Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCCNc3ccc(C#N)cn3)C2)cn1 1346580368 KPDICFHDTBUMAG-CQSZACIVSA-N 382.428 -0.390 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCc2nnc3n2CC[C@H](C(F)(F)F)C3)CCO1 1464523212 LCKYVXJSUHINMM-VHSXEESVSA-N 394.379 -0.038 30 20 GBED C#CC1CCN(C(=O)C(=O)N2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)CC1 1588332510 LPHWSOZIJNCMBR-UHFFFAOYSA-N 394.439 -0.218 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588665550 MRQPJTFRKLYMTP-YPMHNXCESA-N 389.416 -0.257 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1588930712 IBLMEOPSQLSAKC-LBPRGKRZSA-N 391.461 -0.280 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(F)c2-c2nn[nH]n2)CC1 1602724481 FYPXHUHYANXCIL-UHFFFAOYSA-N 393.404 -0.769 30 20 GBED NC(=O)C[C@@H]1COCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1626698658 PPMJIUNZSCHHQI-LLVKDONJSA-N 380.426 -0.782 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2 1781272111 WQIBHTUCXVUXBI-AUUYWEPGSA-N 395.456 -0.150 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)NC1)C2 1782009288 JHMXHFWHUUQCSH-IQUTYRLHSA-N 391.424 -0.886 30 20 GBED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(O)O)C[C@@H]32)cc1 1783440529 LBLBZVMCKPQIMR-ULQDDVLXSA-N 387.436 -0.219 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3cccnn3c1)CCO2 1783565537 MWUCAFICUIDBBK-LJQANCHMSA-N 382.376 -0.134 30 20 GBED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)C=CC1=O)CCO2 1784203079 YVQXKWUJVOHFTH-FQEVSTJZSA-N 387.436 -0.065 30 20 GBED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCN4CCOCC4)[C@H]3C2)CC1 1786745997 WQRYBYWBLLQMKQ-ULQDDVLXSA-N 390.484 -0.008 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H](NC)C(=O)O)C2 1792566251 KSEBSZVBQSYHGA-XFBNVBTNSA-N 392.456 -0.454 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cnn(C)c1)C2 1793342895 YFKUCVXXHQGNDH-VYCZESIESA-N 388.468 -0.019 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(C)=O 1800533320 PKOIUIZBWFCRRL-NZBFACKJSA-N 381.473 -0.326 30 20 GBED N#CCC(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1806281272 ZEQMCGGFMNKWII-GUYCJALGSA-N 384.396 -0.447 30 20 GBED C[C@@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1)n1cnnn1 1822863252 LUAHSFVTBPUJNM-JQWIXIFHSA-N 386.372 -0.263 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1831598933 XEXPNZFRYDUPDX-QMTMVMCOSA-N 397.472 -0.455 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CN)CCO2 1835531990 UVRCIGMKIARCKO-HNAYVOBHSA-N 397.472 -0.453 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1839710722 HOQCHAFQNZVKML-WWGRRREGSA-N 383.474 -0.386 30 20 GBED CC(=O)C[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043991 GXQNZOHEOUJIPM-FZKQIMNGSA-N 380.397 -0.854 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@]3(F)Cl)C2)C1 1840044334 UBHXYFDYEPPUAD-IUIKQTSFSA-N 388.779 -0.545 30 20 GBED C[C@H](C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1)n1cnnn1 1844303435 ZHWWZMIJULUQDZ-MDUBYEFESA-N 391.432 -0.034 30 20 GBED CN(C)C(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 27362080 HVDFVGKYDNJHJD-UHFFFAOYSA-N 379.442 -0.338 30 20 GBED C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2cc(C#N)ccn2)CC1 47858635 QVHXOMPKRANPEL-ZFWWWQNUSA-N 377.470 -0.233 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 105265669 LOVLMSLCNUARMP-GJZGRUSLSA-N 376.457 -0.392 30 20 GBED C/N=C(/NCCS(=O)(=O)NC(C)C)N1CCN(C(=O)[C@H]2CCCO2)CC1 262578852 PQICTCVKAVNABL-CQSZACIVSA-N 389.522 -0.787 30 20 GBED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN3CCOC[C@H]3C#N)C2=O)cc1 266870627 PUQGHZMSHJZZFU-FZKQIMNGSA-N 387.396 -0.282 30 20 GBED C=CCS(=O)(=O)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 273013254 BHKSQUYIECWERJ-GFCCVEGCSA-N 385.467 -0.058 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCO)CCCO)cc1 276027180 YXZXMOXVFOLYLD-UHFFFAOYSA-N 399.469 -0.365 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@H](C)[C@H](C)N1CCOCC1)c1cc[nH]n1 277935417 IHOMVNUUAPGHFY-CJOMHGBRSA-N 381.433 -0.081 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCN(C)S(=O)(=O)CC 284286935 UDCCDECNDXRKKQ-ZIAGYGMSSA-N 375.491 -0.128 30 20 GBED Cc1cnn(C)c1/C=c1\s/c(=C(\C#N)C(=O)N2CCOCC2)n(C2CC2)c1=O 285055464 GSAIETNOZLQQDQ-JDZATDRUSA-N 399.476 -0.352 30 20 GBED COCCCNC(=O)/C(C#N)=c1/s/c(=C\c2ccnn2C)c(=O)n1C1CC1 298304557 MKKNNADQNSDTAQ-XYAOMVCZSA-N 387.465 -0.366 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CC(=O)N[C@@H]4CCCC[C@@H]43)CC2)c1 298859727 XUCOBSGWAZKDHE-CVEARBPZSA-N 396.451 -0.129 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 349472637 XEPBHSJPKTVSEU-IGQOVBAYSA-N 375.472 -0.623 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)NC)C1=O 372562678 UUZYXFHDJWDSMZ-AWEZNQCLSA-N 384.392 -0.337 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCC(F)(F)CN)C[C@@]12C(=O)Nc1ccccc12 420152749 PNWSRBYZSUMPHT-BMLIUANNSA-N 377.351 -0.431 30 20 GBED C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)CCCOC)CC2)nn1 425865164 AJCWPQQUMPDEJY-UHFFFAOYSA-N 386.478 -0.342 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)n1 461783168 CCRXBMOWXFRVLA-GFCCVEGCSA-N 381.458 0.484 30 20 GBED C=CCOC[C@H](NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)OC 481766514 IXCRSJCBGDIMPA-LBPRGKRZSA-N 385.398 -0.867 30 20 GBED CC#CCN(C)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 492056555 XMZNERROUSSUOJ-ZIAGYGMSSA-N 375.429 -0.061 30 20 GBED C=CCN1CC[C@@H](N(C)CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)C1=O 500009984 FKUAGZKMRWTFIU-HUUCEWRRSA-N 387.502 -0.633 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCC(C)(C)N2CCC(OC)CC2)C1=O 517406665 FEXVSABRBPGJGS-UHFFFAOYSA-N 380.445 -0.031 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 562004114 ILIHXZJJZQXLIM-IRWJRLHMSA-N 389.456 -0.047 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 728530447 FQBKKSSSNDOULR-UHFFFAOYSA-N 390.396 -0.124 30 20 GBED COC(=O)CN(CC#N)C(=O)[C@H]1CCC[C@H](C(=O)N(CC#N)CC(=O)O)C1 737605092 NVXAOXGBHDMZSM-STQMWFEESA-N 378.385 -0.245 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCOC3(CCOCC3)C2)c1=O 767792087 LXXSANNBUHKMCY-UHFFFAOYSA-N 378.429 -0.617 30 20 GBED CCN=c1nc(NCC)nc2[nH]nc(SCC(=O)N3CC(O)(CC#N)C3)n12 779554856 RASFRZRBJCCIHL-UHFFFAOYSA-N 391.461 -0.616 30 20 GBED C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 784849821 UFIJERPFDULYNF-GFCCVEGCSA-N 395.437 -0.208 30 20 GBED NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 788019918 XJOCIOFJXONNBX-HFAKWTLXSA-N 376.438 -0.163 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 803861884 LTINOUPKHRQTBD-QFYYESIMSA-N 398.441 -0.159 30 20 GBED C=C[C@H](O)C(=O)OCC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 814548213 QSHQMCKTEARWQS-SJCJKPOMSA-N 377.353 -0.417 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccnc(N3CCCC3)n2)CC1 831561280 SYFJDPINESUYAP-UHFFFAOYSA-N 378.458 -0.698 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC(N3CCOC3=O)CC2)C1=O 850658701 FHRPZKWIFJPIGM-AWEZNQCLSA-N 378.429 -0.325 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)Cc2cc(=O)n(CC(C)C)[nH]2)CC1 932036403 CTCMUHVCTRAONN-UHFFFAOYSA-N 375.473 -0.341 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccoc2CC(N)=O)[C@H](OC)C1 946458731 CYMVQXVWZXFRPG-HGTKMLMNSA-N 391.424 -0.146 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 968365065 DMBOEYHUVUCJCR-AEIGPULVSA-N 376.413 -0.937 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CN1CCNC(=O)C1 977047414 SIJFGVBNWOCDBM-FPCVCCKLSA-N 378.473 -0.447 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@H]2CC(=O)NC2=O)nc1 998948711 OUMLTDFLDKDNHS-VDERGJSUSA-N 380.404 -0.023 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCCN2CCCC2=O)C1 1070278179 UQNQEMSGHLFCGG-NCOADZHNSA-N 388.472 -0.167 30 20 GBED CN(C)C(=O)CCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1117078510 SQPVJQUIFVIGQL-UHFFFAOYSA-N 388.428 -0.333 30 20 GBED CS(=O)(=O)NCCNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1 1117317160 URAQSGJLKLKQIQ-UHFFFAOYSA-N 379.442 -0.869 30 20 GBED N#Cc1ccc(OC2CCC(NC(=O)C(=O)NC[C@@H]3COCCN3)CC2)nc1 1118926066 ZJYXPCOKGUQTJE-HWOWSKLDSA-N 387.440 -0.136 30 20 GBED Cn1c(C#N)ccc1-c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C 1123152721 NRDWONRQAUEMBX-UHFFFAOYSA-N 396.455 -0.037 30 20 GBED C=C(C)CN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1196206495 DHOGFACLXKNLSW-ZJIFWQFVSA-N 380.489 -0.703 30 20 GBED CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1261925591 VXDSBXDOMZRLKR-BPLDGKMQSA-N 382.486 -0.343 30 20 GBED COCCn1nc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1=O 1320980622 HFQSGXOPPBWSJR-UHFFFAOYSA-N 385.428 -0.234 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1331987281 WLFVMVHUGCWLAJ-KRWDZBQOSA-N 393.447 -0.195 30 20 GBED C#CCN1CCC[C@H]1c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC=C 1339124879 XQGAFGKUADXMMX-CABCVRRESA-N 383.456 -0.619 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2cccc(C(=O)N(C)C)c2)CC1 1340477454 FDVPVRHCFPGZNQ-UHFFFAOYSA-N 398.463 -0.007 30 20 GBED C=C(C)Cn1c([C@@H]2CNC(=O)C2)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 1341938644 WDBSYFXLLQWRBC-QWHCGFSZSA-N 382.490 -0.024 30 20 GBED C=C(C)Cn1c([C@@H]2[C@@H]3CCCO[C@H]32)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1342262138 ATKOYHAYIMPFLJ-LXTVHRRPSA-N 386.456 -0.106 30 20 GBED CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1349259344 OCHGGQRSRLSEHU-SCLBCKFNSA-N 396.444 -0.384 30 20 GBED CO[C@]1(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CCS(=O)(=O)C1 1356277287 KVSMNYPJXCIZRL-BLLLJJGKSA-N 379.442 -0.411 30 20 GBED COc1ccc(S(=O)(=O)N2CC(Nc3[nH]c(=O)n(C)c(=O)c3C#N)C2)cc1 1472749674 VJLQJQVBJGOKSW-UHFFFAOYSA-N 391.409 -0.561 30 20 GBED CNS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](C#N)C1 1503838893 UWTWVPSVVRJVED-LBPRGKRZSA-N 379.446 -0.438 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)c(C(=O)O)o2)CC1 1573311423 POEOURSJGQLOIH-UHFFFAOYSA-N 391.427 -0.940 30 20 GBED C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nn1 1573348381 PZEJHEDBXDHKLD-LLVKDONJSA-N 382.388 -0.383 30 20 GBED C=CCN1CC[C@H](N2CC[C@@](O)(CNC(=O)CCCCc3cnn[nH]3)C2)C1=O 1575105063 ZUQHJCAZBUJCBJ-QFBILLFUSA-N 390.488 -0.143 30 20 GBED CC#CCN1CCC(N(Cc2cnn[nH]2)C(=O)CS(=O)(=O)N(C)C)CC1 1575122003 BIYLFOHMLHWUNS-UHFFFAOYSA-N 382.490 -0.488 30 20 GBED C[C@]1(CNC(=O)CCOCc2cnn[nH]2)CN(c2cnc(C#N)cn2)CCO1 1575979795 NBLUHAHDXHDPQT-KRWDZBQOSA-N 386.416 -0.215 30 20 GBED C=CCn1cc(C(=O)NCCN(c2nccnc2-c2nn[nH]n2)C2CC2)nn1 1588713887 XTLSFBFQJXEPPG-UHFFFAOYSA-N 381.404 -0.167 30 20 GBED CN1CCN(C(=O)C2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)CC1 1591189573 JUGIGOMFLKOWFA-UHFFFAOYSA-N 382.432 -0.481 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N1C[C@H](C(=O)O)C2(CC(C(=O)OC)C2)C1 1602728986 UMOPEOJCWFKPOI-BWBHSNQOSA-N 388.442 -0.117 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(N2CCC(CO)(NC(=O)C#CC3CC3)CC2)n1 1605560490 VRNYQSMBWAEYBO-UHFFFAOYSA-N 382.428 -0.174 30 20 GBED N#Cc1ncc(NC2CCN(S(=O)(=O)C3CC3)CC2)nc1-c1nn[nH]n1 1606398062 KAXCKSWNXXTYMY-UHFFFAOYSA-N 375.418 -0.103 30 20 GBED COC(=O)[C@@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](C)O 1645270886 RSYRMEYGGQCLPX-RBZYPMLTSA-N 383.426 -0.458 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)n[nH]3)[C@H]2C1 1786939077 NFHPEYUVLSFHPA-ABHRYQDASA-N 376.413 -0.253 30 20 GBED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCNC4=N)C[C@@H]32)CCC1 1792139257 UKECUCLXEMVLOQ-KKUMJFAQSA-N 388.472 -0.500 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)n(C)n1 1794324145 ATKXETSFLQTMAL-FAXLKDOZSA-N 392.456 -0.098 30 20 GBED NC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)c1ccccc1 1795675751 GUKIVILVPFRSTL-YYAJDYIMSA-N 385.420 -0.594 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2 1799304890 GTKPJIFDWZNNJM-XOIINTDNSA-N 391.428 -0.623 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C2 1799306826 OFLPZCMOOUJLBK-JJAZEVLHSA-N 395.456 -0.390 30 20 GBED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801986417 BZJGEVSSWJMBJP-FVCCEPFGSA-N 385.442 -0.960 30 20 GBED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CCC(=O)N3)sc2C1 1814410680 KLVIPGUGMXCXAN-WCBMZHEXSA-N 376.394 -0.578 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCNC(=O)C3)sc2C1 1826228362 LMCMXPQYWPIFRF-NXEZZACHSA-N 390.421 -0.331 30 20 GBED CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1831196808 DIFZVGJWSBZESE-SFHVURJKSA-N 380.445 -0.337 30 20 GBED CS(=O)(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831225754 ZALOAIUASUGDBH-SFHVURJKSA-N 398.481 -0.709 30 20 GBED O=C(NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1)C(O)O 1833219981 SZDDOPQYDKSYQI-UHFFFAOYSA-N 385.464 -0.080 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C(F)F)CCO2)C1 1834911762 PTPUUEFRQYBUMN-QGZVFWFLSA-N 388.415 -0.010 30 20 GBED COCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1835230065 URFMDTPOJWNVOS-IBGZPJMESA-N 396.488 -0.239 30 20 GBED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)o1 1836019341 NKRUTRKCFJJVTH-SFHVURJKSA-N 391.428 -0.073 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2 1837367337 VKZSDVCUFCKLTR-SFHVURJKSA-N 376.413 -0.878 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1840175644 WKBGTDWVHZYCPQ-RHSMWYFYSA-N 386.470 -0.404 30 20 GBED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)cc1 1844927810 FETLMSQMIVWRGX-AWEZNQCLSA-N 381.392 -0.027 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(Cn3ccnn3)CC2)c1=O 157072847 JXRXDDREKLNIGT-UHFFFAOYSA-N 387.444 -0.495 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C)c1cc[nH]n1 278062882 VCFMKZNSCPJWCE-LVOBAJNXSA-N 386.430 -0.273 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1=O 291121936 DBXBPMHFFSZKSJ-UHFFFAOYSA-N 399.407 -0.466 30 20 GBED CN(C)c1cc(C#N)cc(C(=O)N2CCN(S(=O)(=O)c3nnc[nH]3)CC2)c1 293577138 WBKMOBAEMGWFSL-UHFFFAOYSA-N 389.441 -0.111 30 20 GBED Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)o1 348358028 XKLZJEQNVSZHPW-UHFFFAOYSA-N 378.432 -0.595 30 20 GBED C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cccc(C#N)n1 349460320 HAWTXRRTUCAMSF-DGCLKSJQSA-N 388.471 -0.130 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 349464452 JKHOOBYZQJMQIU-UONOGXRCSA-N 378.520 -0.483 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)N2CCSCC2)n1 349532714 PBDUAYAWWIBDQM-UHFFFAOYSA-N 393.516 -0.198 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](S(N)(=O)=O)C3)CC2)o1 377910242 NBBZJQPFKHUWIH-CYBMUJFWSA-N 396.473 -0.744 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C(N)=O)C(C)(C)C 439809622 OYSIFLPPMXVZSP-ZDUSSCGKSA-N 383.412 0.402 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 465271042 VSFIPDWRRFVGGG-GJZGRUSLSA-N 385.472 -0.205 30 20 GBED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 540453077 NGUSBCCMFAUHGG-SNVBAGLBSA-N 394.461 -0.645 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N=c2nc[nH]n2C)cc1 563417113 OPPYEHUOBSYLRI-LLVKDONJSA-N 398.470 -0.182 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C 591333135 KVZJPXRWDXOQQJ-RYUDHWBXSA-N 395.503 -0.237 30 20 GBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 592925410 UMCGXIDDAHENTA-YUTCNCBUSA-N 395.437 -0.393 30 20 GBED Cc1ccc(C(=O)N2CCO[C@@H](CC(N)=O)C2)cc1S(=O)(=O)NCC#N 600677508 FDRHXXQCMNUPAH-ZDUSSCGKSA-N 380.426 -0.487 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 602255179 BCEHGBDZJJBONG-MRXNPFEDSA-N 375.473 -0.048 30 20 GBED CC#CC[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 646366708 WJLULVWNLCVFRI-CYBMUJFWSA-N 382.442 -0.002 30 20 GBED C=CCN(C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@H](C)COC 658371152 HMRRZFZOZIAGIC-LLVKDONJSA-N 389.412 -0.380 30 20 GBED C#CCNC(=O)CN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 728572438 DKGPYJSZSZRKQB-INIZCTEOSA-N 376.413 -0.299 30 20 GBED C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1nnnn1C1CC1 791226747 AJARFIQZLSJKHT-SECBINFHSA-N 375.414 -0.076 30 20 GBED C[C@@H](C(=O)NS(=O)(=O)c1cccc(-c2nnnn2C)c1)n1cnc(C#N)n1 798818483 USQXXRIQFAOVGG-VIFPVBQESA-N 387.385 -0.594 30 20 GBED 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GBED CC#CCS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 810778283 RZCORGKKRPABGY-UHFFFAOYSA-N 376.412 -0.617 30 20 GBED N#Cc1cnn(C(=O)[C@@H]2CCC[C@H]2C(=O)n2ncc(-c3nn[nH]n3)c2N)c1N 826387539 AGTFLTGDTVWVFJ-RKDXNWHRSA-N 381.360 -0.307 30 20 GBED N#Cc1ccc(N2CCN(S(=O)(=O)c3cnn(CC(=O)O)c3)CC2)nc1 833073264 KGWCADTZLJSLAY-UHFFFAOYSA-N 376.398 -0.255 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCC3)c(=O)n1CCOC 901461573 NSRKCYWLFBTLSX-UHFFFAOYSA-N 385.445 -0.260 30 20 GBED C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3OCC[C@H]3CC)C2)CC1 1024376672 WIMWGSQAEXUCBT-DDBAPUKQSA-N 377.485 -0.165 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1102368367 QRNCFBMGRHATCR-APIJFGDWSA-N 393.488 -0.593 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 1323008252 HUHWHPDRHWYRSQ-LLVKDONJSA-N 383.417 -0.316 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCc2ccccc2CN2CC[C@H](O)C2)nn1 1326704811 KQTMBRLOGKEHFV-SFHVURJKSA-N 398.467 -0.037 30 20 GBED CCn1nccc1CNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1328250886 NQGRUVYTDWVOEM-ZDUSSCGKSA-N 382.428 -0.082 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1329100707 XLVDLNVTHWWNKF-UHFFFAOYSA-N 392.500 -0.455 30 20 GBED C[C@@H](NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1nnnn1C1CC1 1331946560 SJTMIQMZCYJHQZ-GFCCVEGCSA-N 395.427 -0.199 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CCN1c1nccn2cnnc12 1349045606 MWZNDJIRNSXOLH-HZSPNIEDSA-N 382.428 -0.030 30 20 GBED CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1465012691 PCVNSQZKKRDYDJ-CMPLNLGQSA-N 379.442 -0.117 30 20 GBED C[C@H](C#N)C(=O)N(CCO)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573562171 RNOCDBQTNSBJNP-YPMHNXCESA-N 386.416 -0.220 30 20 GBED C#CCN1CCC(C(=O)N[C@@H](C)CN(C)[C@H](C)C(=O)NCc2cnn[nH]2)CC1 1574966760 HCTSDMICHSRNPT-LSDHHAIUSA-N 389.504 -0.409 30 20 GBED C=CCCC(=O)N(C)C[C@@H](O)CNC(=O)C1CCN(Cc2cnn[nH]2)CC1 1575085944 PDLLVSYHNIHTOB-INIZCTEOSA-N 378.477 -0.082 30 20 GBED C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(Cc2cnn[nH]2)CC1 1575112720 WXYKXECPYVQXRV-UHFFFAOYSA-N 394.505 -0.118 30 20 GBED CN(C[C@@H](O)CN(C)c1ccnc(C#N)n1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1579027975 LASIKYQGGQMXJT-JTQLQIEISA-N 382.388 -0.574 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)CCO1 1588358166 UJPNNUDHVBHZIP-CHWSQXEVSA-N 386.416 -0.675 30 20 GBED C=C[C@@](C)(O)CC(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 1588504352 KFMGCGGXDAQDAM-QGZVFWFLSA-N 387.448 -0.778 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)NCC#CCN(C)C)CC2)c1-c1nn[nH]n1 1592431424 VJQUDXLGJVVKQE-UHFFFAOYSA-N 386.464 -0.695 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNC(N)=O)C3)c1 1780182336 BAXGNTKQSXNZMN-RDTXWAMCSA-N 388.428 -0.318 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1783176249 PVWOHWSINGMNBP-IOVBUETRSA-N 393.488 -0.187 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(Cl)c1)CCO2 1783557387 LFPURFWCZFCCBG-QGZVFWFLSA-N 393.783 -0.028 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CC(N)=O)[C@H]2C1 1784593426 QRJQFIPRKPMQOO-QRJUGERDSA-N 379.457 -0.484 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)N3CCCC3)[C@H]2C1 1787505607 KJPOAQWQJMLURA-KKUMJFAQSA-N 383.470 -0.975 30 20 GBED CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1793321976 WQYKCNUTYVTHSK-AGGWBTHJSA-N 383.470 -0.295 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1797709407 FIBQNFBPIUICOA-OWVAZHOYSA-N 393.484 -0.325 30 20 GBED Cc1ccn2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)cnc2c1 1800086052 NQLRTHQHCGZMGW-HBCWATKFSA-N 396.403 -0.066 30 20 GBED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(N)=O)c1 1802165468 QFMQVZHYDRYBRD-SCAQPMJSSA-N 385.424 -0.262 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825666459 CTGJHGCIUJXEDT-NXEZZACHSA-N 390.421 -0.166 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(CC)COC3)C2)C1 1831402092 NKZKDQIRRMKPMG-UZLBHIALSA-N 394.468 -0.092 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1831424529 KYXIJSVGZPAVNP-YJBOKZPZSA-N 393.444 -0.674 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833840480 WSYHLGDVDJWYGX-KBXCAEBGSA-N 393.444 -0.524 30 20 GBED CS(=O)(=O)CC(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834598760 ZFRZJWOCQLRTLH-UHFFFAOYSA-N 396.513 -0.094 30 20 GBED COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1834848431 MCLWWYBLCXHINC-LJQANCHMSA-N 378.425 -0.191 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835311713 ATGGWLNEDUBKPN-BEFAXECRSA-N 377.441 -0.475 30 20 GBED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1837693422 QSHDLXVBYPQTAI-YWZLYKJASA-N 389.452 -0.453 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnncc1C(=O)O)CCO2 1837945905 PHWANSMBHCCPQZ-KRWDZBQOSA-N 389.368 -0.842 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1839808613 WUTCYVFLLFNUFK-HXUWFJFHSA-N 395.419 -0.030 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840551183 OXRGPGSLRISECV-DOMZBBRYSA-N 394.515 -0.804 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1840841761 UOYVSPHASMJEHM-IBGZPJMESA-N 379.457 -0.812 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1845187472 IVVDPIQOVMMJIH-LBPRGKRZSA-N 392.412 -0.703 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2n(n1)CCNC2=O 1847801471 WJNRDTHVMNWKKO-SNPRPXQTSA-N 385.424 -0.520 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(C(=O)CN2CCOCC2)CC1 28176614 HSESAJDXAKHTGX-APWZRJJASA-N 379.505 -0.094 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)CCN1Cc1ccccc1 265184157 ZEFOHAZTVVKWGB-MRXNPFEDSA-N 395.423 -0.457 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nnc(S)n1C 268873011 YCGIDXJUPCBOOV-VIFPVBQESA-N 380.455 -0.041 30 20 GBED C=CCn1c(=O)/c(=C/c2ccn(C)c2)s/c1=C(/C#N)C(=O)N1CCOCC1 270591555 CNRNXZSWNVKPDH-YYASDEIUSA-N 384.461 -0.204 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@H]1CC(=O)N(C(C)C)C1=O)c1cc[nH]n1 276599048 OBXGYGMDZSADFF-BTNWAMHGSA-N 379.373 -0.654 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](S(C)(=O)=O)C1 282106703 KNHCNZLPZNVYPT-BXUZGUMPSA-N 385.467 -0.129 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H](C)CC[C@@H]3O[C@H](C(=O)OC)C[C@H]32)C1=O 283711809 WZBSBDJUQCXYQG-NDBYEHHHSA-N 393.396 -0.327 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@@H](O)CC[C@H]2C1 349488219 FDRSSIGPWZZUTJ-FQUUOJAGSA-N 379.504 -0.369 30 20 GBED N#C[C@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)N=c2cc[nH]cc2)C1 349492028 IFLLSPJZFRXHJF-CYBMUJFWSA-N 376.435 -0.097 30 20 GBED C[C@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCN1c1nccn2cnnc12 409514259 ASXGPXAKYCGARV-STQMWFEESA-N 392.445 -0.896 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@H](N)[C@H]2C1 423540980 KHISVVRPAMMKHF-UGUYLWEFSA-N 397.483 -0.029 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2C[C@@H](C(=O)NC)Oc3ccccc32)nn1 425797541 WAIXGCOOKZCCQN-HNNXBMFYSA-N 384.396 -0.380 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)n1 444576101 UKGOBKRHEHRPLS-CYBMUJFWSA-N 386.387 0.335 30 20 GBED COC[C@@H](C)n1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)n1 446532779 RRKCSRIUCPBBQL-OAHLLOKOSA-N 392.460 0.103 30 20 GBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 480480642 HSJPHKXSAFTNQK-LLVKDONJSA-N 394.496 -0.151 30 20 GBED CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@@H]2COC[C@H]2O)c1 521371958 RGTXORVJFLLQMI-ZIAGYGMSSA-N 389.455 -0.789 30 20 GBED Cc1ccc(C(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1S(=O)(=O)NCC#N 524578100 GEQIKMZQWVJDJF-ZDUSSCGKSA-N 394.453 -0.226 30 20 GBED CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)ccc1F 592299946 UKXCKCXTXGQTPH-MRXNPFEDSA-N 398.416 -0.108 30 20 GBED N#CCC1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2ccc(O)nn2)C1 595966660 KOTXIUKQCRKXNH-UHFFFAOYSA-N 389.459 -0.121 30 20 GBED CS(=O)(=O)N1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 726584746 GKNAVPRTAMACTO-UHFFFAOYSA-N 391.453 -0.143 30 20 GBED CNS(=O)(=O)[C@H]1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 749789001 BWMNXQVAUNODLO-YOEHRIQHSA-N 391.453 -0.094 30 20 GBED C#C[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1CCCO1 775342927 XGZUTVAAIRZPTI-JKSUJKDBSA-N 393.465 -0.036 30 20 GBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 799287971 VQMXCYHFMGGUCJ-QGZVFWFLSA-N 386.452 -0.097 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cnc(NC(C)=O)s2)CC1 804985919 COECJLRCOSMPNV-UHFFFAOYSA-N 385.471 -0.843 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1)[C@@H]1CCCO1 809305446 CZZKQMXLDDDGNB-KKUMJFAQSA-N 397.439 -0.542 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1cn(CC(=O)O)nn1 820148537 OFXIXTSTZSDRIL-JTQLQIEISA-N 393.381 -0.355 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1 823856465 RYGBSIUVYONQQK-UHFFFAOYSA-N 398.358 -0.104 30 20 GBED N#Cc1ccnc(N2CCN(S(=O)(=O)c3cnn(CC(=O)O)c3)CC2)c1 833076644 LHORUDKPFDWLPS-UHFFFAOYSA-N 376.398 -0.255 30 20 GBED C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2ccc3c(c2)OCO3)CC1 839528109 NVEVKMKCFSMYNV-UHFFFAOYSA-N 394.453 -0.171 30 20 GBED C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)N=c1nc[nH]n1C(C)(C)C 848961156 QVLUPAZVOLPGIR-LBPRGKRZSA-N 391.519 -0.130 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccnn2CCC)c1=O 853467220 GBOSPRJGPVTXHH-UHFFFAOYSA-N 399.476 -0.585 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@]2(Cc3ccccc3)CCN(C)C2=O)CC1 874342775 JRSOIGORHQBAMC-QFIPXVFZSA-N 396.491 -0.029 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 875601202 HZLSBEXZEJIBDD-INIZCTEOSA-N 378.473 -0.702 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CCc2cccc(F)c2)CC1 919218911 KEGBSKCZWOJEKF-UHFFFAOYSA-N 389.474 -0.217 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2nnc(O)nc2O)[C@H]1CC 985189180 RWJKIMHHMRUZDK-KXNHARMFSA-N 377.401 -0.017 30 20 GBED C[C@@]12CN(C(=O)c3c[nH]c(C#N)c3)C[C@@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 993432058 MVUABJJGWRIPHS-JUIVLLAYSA-N 385.424 -0.160 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnc(O)n(C)c1=O 999101076 XIQNSNDFQMIIEJ-MFHWUAJNSA-N 388.424 -0.061 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CN(C)C[C@@H](C)O1 1057972848 AHYVOJNTRFQSDK-WCXIOVBPSA-N 383.489 -0.376 30 20 GBED N#CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 1118619547 OSLSLQBMWZZTIG-SJORKVTESA-N 377.489 -0.339 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2C2CCN(C(C)C)CC2)CC1 1120211672 IAHZTLNFYXUSOP-UHFFFAOYSA-N 396.521 -0.692 30 20 GBED CCn1cc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nn1 1261708054 ZJSDJGVKFPMAQA-MRXNPFEDSA-N 395.423 -0.297 30 20 GBED C#CCOCCNC(=O)C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 1323699240 KCMAFPQONHGNGT-KRWDZBQOSA-N 387.436 -0.022 30 20 GBED COC(=O)C[C@@H]1CN(C(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CCO1 1325420539 UTKJGADBEWTUEY-OAHLLOKOSA-N 387.392 -0.062 30 20 GBED O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cccc(C#CCO)c1 1331909407 GGRYGPRJFBASPG-IAGOWNOFSA-N 378.450 -0.742 30 20 GBED CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1 1340835936 BUZUZMSRDYRJKI-UHFFFAOYSA-N 396.411 -0.817 30 20 GBED C#CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)[C@H](CC)N(C)C)CC1 1575004822 MRRXXCFVZXFDAT-KRWDZBQOSA-N 389.504 -0.313 30 20 GBED COCCN(CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1nccnc1C#N 1579809713 MMMAOKYUCVPYCF-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2O)cn1 1588370092 MQQUAPUOWJXYAT-GDBMZVCRSA-N 376.380 -0.383 30 20 GBED C#CCN(CC(=O)O)C(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O 1588419089 QFOYNPSSDUBMJD-UHFFFAOYSA-N 387.435 -0.335 30 20 GBED CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1591214130 VDHCPFSUFZRPOS-ZFWWWQNUSA-N 393.411 -0.254 30 20 GBED O=C(NCC#Cc1ccccc1)C(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 1593005862 XITVFFUUSYRSOW-UHFFFAOYSA-N 390.407 -0.042 30 20 GBED Cc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)O 1600076144 LGYQVVFPJXUQPK-RYUDHWBXSA-N 392.393 -0.365 30 20 GBED C[C@H](C#N)C(=O)N1CCN([C@H]2CCN(c3cncc(-c4nn[nH]n4)n3)C2)CC1 1602982134 PCFDWDHLXXCDTK-OLZOCXBDSA-N 382.432 -0.461 30 20 GBED C[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C(=O)O)O1 1604356860 RECIYZHFDMDLEE-WDMOLILDSA-N 381.410 -0.074 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1609058550 GFFQLIBZSNOQJC-GFCCVEGCSA-N 385.432 -0.216 30 20 GBED CCOC1CC(O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)C1 1710605222 VEZLCMYYBUWGMP-NTXUUIFSSA-N 390.444 -0.112 30 20 GBED Cc1cnn(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c1 1782010747 VZDGOSFUZSZNFC-DNVCBOLYSA-N 388.424 -0.207 30 20 GBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1783052617 CCJDYWIVGSFUKF-SFHVURJKSA-N 388.449 -0.645 30 20 GBED N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNC(N)=O)C3)CCC1 1783129454 HPRAFPJKRKUUJB-FZKQIMNGSA-N 377.445 -0.138 30 20 GBED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1783198763 OJDOFQIKEGOOHC-KRWDZBQOSA-N 397.378 -0.047 30 20 GBED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2 1784194647 CLPCIGXCGIGRNM-LJQANCHMSA-N 390.440 -0.438 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN(C)C(C)=O)[C@H]2C1 1784932862 WYGLIDRDMOZPQE-DKIMLUQUSA-N 393.484 -0.127 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](NC)C(=O)O)[C@H]2C1 1786893902 OWWNODCYIDYUTK-YXMSTPNBSA-N 397.472 -0.380 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4C[C@H](O)CN4)[C@H]3C2)c1 1789762944 NVKLRTREGCXJMD-BWJWTDLKSA-N 387.440 -0.798 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncccn1)C2 1795597876 IMFDGDNINNIMBM-QDMKHBRRSA-N 386.456 -0.038 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2ccccc2O1 1797229218 VTIPXSIOVUUMQO-MVWRLGRASA-N 384.388 -0.332 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCOC)C2 1797708440 YSRJIWCFWUONRR-JYYAWHABSA-N 384.473 -0.188 30 20 GBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1800980303 DZIWEQGTSZWVPY-RXGFPQBGSA-N 378.516 -0.425 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 1801067193 QXPRNEUJCQWFJW-LBKYZSNHSA-N 377.441 -0.860 30 20 GBED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819662466 JJQOYQYUZVFILC-ZJUUUORDSA-N 389.437 -0.031 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830048970 RNIWJJXLPDMGHC-MLGOLLRUSA-N 388.490 -0.968 30 20 GBED CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1831277079 XTHCKGDOBBRVDZ-SFHVURJKSA-N 389.412 -0.908 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN(C)C)C2)C1 1831424921 OAIMJLKJOLYTLM-VQIMIIECSA-N 383.489 -0.014 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CC(N)=O)CCO2 1831597912 NDSPAQKCGPLOQO-KBXCAEBGSA-N 399.513 -0.127 30 20 GBED N#CCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1834674044 RIRNGTMVBRBFGQ-INIZCTEOSA-N 392.504 -0.545 30 20 GBED CC(C)(C#N)C(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834675812 YFMQOIHLTVETMP-UHFFFAOYSA-N 377.493 -0.409 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834766045 UDTKLVPAWOGTOR-GOSISDBHSA-N 379.413 -0.134 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835302220 VEEXEDOFLHJRRH-QIIPPGSGSA-N 399.513 -0.324 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1839224110 FACRNHAWJXHTMR-CXAGYDPISA-N 394.432 -0.324 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)c[nH]1)CCO2 1840067879 AKRAEDPKVKLWAE-KRWDZBQOSA-N 379.344 -0.688 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1840159656 JTYSQCQJFDTTMB-CXAGYDPISA-N 382.486 -0.263 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1840159668 JXOVBHYOYTWDCM-APPDUMDISA-N 397.453 -0.119 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1840163673 LKRASHBHRWPQEW-SUMWQHHRSA-N 396.469 -0.982 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CC(=O)C3)CCO2)C1 1840833141 MSBIBSOYWVSQNP-UZLBHIALSA-N 394.468 -0.005 30 20 GBED N#Cc1cccnc1NCCNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 108397697 MSRYVNPRDPKSAA-UHFFFAOYSA-N 381.439 -0.009 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@@H]2C(=O)N(CC)CC)C1=O 263982727 AEJLANLWCXJTDM-LLVKDONJSA-N 382.442 -0.267 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 266488382 AIUOUGPCWOSLNH-UHFFFAOYSA-N 383.401 -0.120 30 20 GBED CCNS(=O)(=O)c1ccc(CNC(=O)NCCn2cnc(C#N)n2)cc1 287092600 OVVUCYFMCPREGM-UHFFFAOYSA-N 377.430 -0.053 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 292368944 SBJZRRPJUGXIAV-ZACQAIPSSA-N 392.500 -0.151 30 20 GBED COCCNC(=O)/C(C#N)=c1/s/c(=C\c2cnn(C)c2)c(=O)n1CC(C)C 297459135 TUXJRELLDVIHHO-INXQETFLSA-N 389.481 -0.435 30 20 GBED COc1cnc(N(C)S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)nc1 348337904 DLJWCOLBGVAAPS-UHFFFAOYSA-N 389.459 -0.574 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](N2CCCC2)C1 349526347 SRMBOFQRBWPMGW-KBPBESRZSA-N 378.520 -0.292 30 20 GBED CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 410140990 DFJUOTRBDWDZGF-AVGNSLFASA-N 376.504 -0.009 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@H](CC)C(=O)OC)CC2)C1=O 410882211 GWRJDUUMJDNMCK-CABCVRRESA-N 394.472 -0.673 30 20 GBED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H](N)CCCC#N)CC2)C[C@@H](C)O1 424094504 LUHNBEGXLQSAOA-KFWWJZLASA-N 387.506 -0.494 30 20 GBED N#Cc1cncc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1 425238353 QSPQHSOOGKBLPY-UHFFFAOYSA-N 382.427 -0.628 30 20 GBED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C(N)=O 439888852 QMOPZSDILSOMBX-CYBMUJFWSA-N 383.412 0.153 30 20 GBED CCN1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)[C@H](C)C1=O 441026432 TVMLBYLLOMDCLJ-CYBMUJFWSA-N 395.423 0.465 30 20 GBED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)cc1 480245108 BADYIAHGNHSEGW-UHFFFAOYSA-N 385.445 -0.183 30 20 GBED CS(=O)(=O)CC1(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 519851527 SWGNGPXDVUBDRB-UHFFFAOYSA-N 385.467 -0.222 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(OCC(=O)NC)c2)C1=O 560620380 DEFRFACNIVIOFF-UHFFFAOYSA-N 388.380 -0.596 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCC(C)(C)N1CCOCC1 576126561 SXYBTYMJXCNKGP-UHFFFAOYSA-N 391.476 -0.518 30 20 GBED CN1CCC(C#N)(NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 609519378 ZEINKDZPSHBWPO-MRXNPFEDSA-N 377.489 -0.196 30 20 GBED COC(=O)CCNC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 749275160 UMXXJRXDSNYSKU-UHFFFAOYSA-N 383.382 -0.941 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2ccc([N+](=O)[O-])c(O)c2)c(=O)n(C)c1=O 771897257 CSIPVQVIDVEFAA-UHFFFAOYSA-N 383.342 -0.990 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@]2(CCOC2)C1 848958176 JLYUQUZJMIOSPZ-OAHLLOKOSA-N 389.499 -0.393 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCCC12OCCO2 848964169 KIHWGXWRVDLGCB-CYBMUJFWSA-N 395.503 -0.233 30 20 GBED CS(C)(=O)=NS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 859179356 MKIQKCLSHLFBCM-UHFFFAOYSA-N 396.472 -0.570 30 20 GBED COCCCNC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 916870872 NJNSJQNLGZKADJ-GFCCVEGCSA-N 399.425 -0.224 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1OC 946819043 VJLJWECNIDZFFW-LVQVYYBASA-N 379.457 -0.068 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 994075361 FGVXUABCWSLFEG-CXTNEJHOSA-N 393.444 -0.119 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1O 1023915902 JAIYERMTAHTEHF-NHIYQJMISA-N 378.433 -0.878 30 20 GBED C=C(C)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@@H]1n1ccnn1 1070272612 VMLCKIRMMSDVPI-FXUDXRNXSA-N 376.461 -0.169 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC(N)=O)CC1 1070379532 PCNIATSNRUAKQZ-BSXFFOKHSA-N 378.473 -0.462 30 20 GBED C#CCOCCC(=O)N1CCN(C2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 1073572687 JZZGNQFWWRWQRC-KURKYZTESA-N 375.469 -0.051 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(CC(=O)NC)no1 1109204223 HNRUUIFKAUTMOJ-OVSNFEJUSA-N 377.445 -0.093 30 20 GBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(C)c(=O)nc1O 1111405931 LRIKZJZORIJLPG-OXHZDVMGSA-N 375.429 -0.488 30 20 GBED C=CCNC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)[C@@H]2C1 1221700852 RLEDFRMLBMMHNL-DHMVHTBWSA-N 388.468 -0.046 30 20 GBED CCOC(=O)[C@H]1CNCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1261491746 FAQRQCZFHUPDQL-GFCCVEGCSA-N 380.426 -0.911 30 20 GBED CC[C@H](C#N)Oc1cccc(CNC(=O)C(=O)NCCNS(C)(=O)=O)c1 1322798150 PHNBZZUONCEEPE-CYBMUJFWSA-N 382.442 -0.351 30 20 GBED C=CCn1cnnc1S(=O)(=O)CCS(=O)(=O)CC(=O)OC(C)(C)C 1322833808 WHMALOYVOXZUKQ-UHFFFAOYSA-N 379.460 -0.006 30 20 GBED C[C@H]1CN(c2ccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)cn2)C[C@@H](C)O1 1323105313 SIDAQABMNQYXLU-BETUJISGSA-N 398.427 -0.087 30 20 GBED CN(C)[C@]1(CNC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCSC1 1323184661 KNBHLXMTYNGWDI-CLVCIHKQSA-N 395.485 -0.818 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 1326688383 QTDPGDYPFAYDRW-OYLHUBKDSA-N 375.429 -0.674 30 20 GBED C=CCCSCCNC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 1327640021 XCTAMMAVFOMHER-UHFFFAOYSA-N 378.520 -0.638 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 1330239225 DBENSWUJGPDZIU-GUTXKFCHSA-N 391.428 -0.065 30 20 GBED Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)nn1CCC#N 1336874990 XRSQZXFUPKJZQU-LBPRGKRZSA-N 382.446 -0.416 30 20 GBED CN(C)CC1(CNC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCCC1 1342100611 SEVQWFQXILGONP-FOCLMDBBSA-N 391.472 -0.133 30 20 GBED C=CCOCCNC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 1346714133 MKTLWNQAMRQHKV-UHFFFAOYSA-N 388.468 -0.234 30 20 GBED Cc1c(C#N)c(=O)n(CC(=O)Nc2cccc(S(C)(=O)=O)c2)c(=O)n1C 1473069765 YVVKGVOTGOBTSO-UHFFFAOYSA-N 376.394 -0.231 30 20 GBED CCCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1547257006 UYMOFVPPXOHHLK-CHWSQXEVSA-N 396.473 -0.565 30 20 GBED C#CCN(c1nnc(-c2cnn(C)c2)n1CCNC)[C@H]1CCS(=O)(=O)C1 1574674324 XLZBMMKBFKFJDQ-AWEZNQCLSA-N 377.474 -0.475 30 20 GBED C#CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)C[C@@H]2CCOC2)CC1 1575004287 DBARUQCVFGYJPP-HNNXBMFYSA-N 388.472 -0.226 30 20 GBED C[C@H](OCc1cnn[nH]1)C(=O)N1CCC[C@@H](CN(C)CC(=O)NCC#N)C1 1575829468 XWLJXDUEJACBNT-KBPBESRZSA-N 377.449 -0.480 30 20 GBED C#CC[C@H](NC(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)OC 1588334420 XCNVBCMBGLMXOZ-ZDUSSCGKSA-N 391.409 -0.537 30 20 GBED C#Cc1cncc(C(=O)N2CCO[C@@H](CNc3cncc(-c4nn[nH]n4)n3)C2)c1 1588381206 UVZVORXIROFHTK-AWEZNQCLSA-N 391.395 -0.014 30 20 GBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(n2cc(C(=O)O)nn2)CC1 1588916278 CIENYKCEPFWVKR-FZMZJTMJSA-N 377.401 -0.153 30 20 GBED C#CCN(CC(=O)O)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1602695641 NMSUCXAZCRZYRQ-UHFFFAOYSA-N 393.465 -0.320 30 20 GBED Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)N[C@H]1CCN(O)C1=O 1609454528 JQUNEGQACYVKCE-LBPRGKRZSA-N 385.388 -0.435 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1778789604 FKCOGVKWWLZRFP-FIXISWKDSA-N 375.447 -0.801 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1783557507 NCRBUWDVKUGJKN-JFIBYHEFSA-N 378.425 -0.297 30 20 GBED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NS(=O)(=O)CC)CCO2 1783903676 XYMBOGNGMXAYCR-CRAIPNDOSA-N 399.513 -0.052 30 20 GBED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOC1=O)C2 1793258693 VZKDPGJEYDKUQI-JLVBRIDZSA-N 375.425 -0.168 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)C=C)C2 1793343908 BFMICLVQFNDELN-LBKYZSNHSA-N 377.441 -0.695 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1793362357 NRGPRBSQRIWGMK-ZUMXRPEOSA-N 391.424 -0.908 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c2ncccc12 1796880375 YIGGTMUCXLNZKD-DPIQGUFMSA-N 382.376 -0.146 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSC(=N)N)C2 1797708394 VKLACZOQROUBPE-OPDFLTKYSA-N 384.502 -0.224 30 20 GBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1800982333 BTVUITSPOYFGQE-NJBDSQKTSA-N 383.430 -0.301 30 20 GBED Cc1nccn1CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1801311172 NUGDCDOSWCEOAU-CCWDJLKJSA-N 388.424 -0.351 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)c1cccn1C 1801441850 CWUZEJBCCWETDE-PNBKFKSVSA-N 387.436 -0.164 30 20 GBED CN(C)C(=O)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1823882279 NDFOXYLLJCFIQS-OAHLLOKOSA-N 392.456 -0.035 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1831434199 SQIHYGXCKTZASE-KSSFIOAISA-N 383.445 -0.830 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2 1831466226 OQGNYMQTHIQGJJ-PBHICJAKSA-N 388.486 -0.300 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1ccoc1)CCO2 1832653184 WFFHCXDPZBRWSQ-SNDJDQCESA-N 388.376 -0.163 30 20 GBED CCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1834986233 PPNVRHPOHXLKCF-SFHVURJKSA-N 376.413 -0.007 30 20 GBED Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)c1 1836196727 WOWNZMCXVFVHPA-SFHVURJKSA-N 375.429 -0.048 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1840176016 RJSHNIDJXLIOTB-MRXNPFEDSA-N 381.458 -0.071 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1840842334 BMRDTPFFVFDLFO-WHXUGTBJSA-N 389.452 -0.309 30 20 GBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCNC3=O)C1 1842562790 NUGASBPADKQJBJ-CYBMUJFWSA-N 385.424 -0.518 30 20 GBED O=C1CC[C@@H](C(=O)N2CCCC23CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)N1 1842736591 XPMWTOBKKDLZHA-LAHCYUBYSA-N 378.429 -0.003 30 20 GBED CCNC(=S)NCC(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842921002 AVFQOKXWZBSGFD-UHFFFAOYSA-N 394.545 -0.044 30 20 GBED CN(C)CCCN(CCC#N)C(=O)Cn1cc(Br)c(=O)[nH]c1=O 170814119 NWKIXICIDPIWTJ-UHFFFAOYSA-N 386.250 -0.007 30 20 GBED C/N=C(/NCC1CCN(S(C)(=O)=O)CC1)N1CCN(c2ncccn2)CC1 261619123 HKTUAWQZHWRVHE-UHFFFAOYSA-N 395.533 -0.154 30 20 GBED C/N=C(/NCc1cnc(N(C)C)n1C)N1CCN(CC(=O)N2CCCC2)CC1 262802402 RGYLRMKILREEKD-UHFFFAOYSA-N 390.536 -0.199 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2noc(CCC(=O)OC)n2)c1=O 264640216 MINWNLASYWUSOT-UHFFFAOYSA-N 377.357 -0.919 30 20 GBED CCCCn1c(N)c(N(CC)C(=O)CN2CCOC[C@H]2C#N)c(O)nc1=O 266850572 CNPUCMGRNYSPDN-GFCCVEGCSA-N 378.433 -0.092 30 20 GBED O=C1COCCN1C/C(O)=N/C1CCC(/N=C(/O)CN2CCOCC2=O)CC1 329869540 YZDSPFGODCPVQS-UHFFFAOYSA-N 396.444 -0.072 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O 349476748 PQAABQGZKUAOSG-CTTWBBHYSA-N 391.515 -0.371 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C1(C)C 349529426 ZNMIJASOCMLSOJ-UHFFFAOYSA-N 380.492 -0.908 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CC[C@@]2(CCN(C)C2)C1 349606360 WZCWERCXTTYQCK-LSDHHAIUSA-N 392.547 -0.045 30 20 GBED CN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)NC3(C#N)CCC3)c2c1 438914180 UHDMVCNRNGQYKI-UHFFFAOYSA-N 378.414 -0.327 30 20 GBED C[C@@H](CNS(=O)(=O)N(C)CCC#N)N(C)S(=O)(=O)N(C)CCC#N 502559144 NAESVJIBUAPLGY-LBPRGKRZSA-N 380.496 -0.923 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)cc1 502995975 LLBYNQIMDYCRPM-UHFFFAOYSA-N 382.442 -0.404 30 20 GBED CCNC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 552911607 IKNZCHFSQAJQMA-UHFFFAOYSA-N 379.442 -0.290 30 20 GBED COc1ccc(S(=O)(=O)NCC(=O)NCCn2cnc(C#N)n2)cc1OC 566956393 IJTNCVYRXJQZMY-UHFFFAOYSA-N 394.413 -0.738 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2COCCO2)cc1 568253169 GOWFNUICAWSSHM-NWDGAFQWSA-N 389.455 -0.429 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](n2cncn2)C1 594636734 YMILINVMZAYJCV-STQMWFEESA-N 390.491 -0.582 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CC(N)=O 608911883 UXOGPTLLFIPMCQ-UHFFFAOYSA-N 382.445 -0.491 30 20 GBED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CCO[C@H](C#N)C2)CC1 730065973 DMVYOTPIQBCDEO-CYBMUJFWSA-N 381.433 0.000 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCC(=O)c2cccs2)C1=O 731720949 PNNHQESIUUKYQP-UHFFFAOYSA-N 393.377 -0.433 30 20 GBED N#CCCNC(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 758093352 VTYYHYOYWXECCC-LBPRGKRZSA-N 389.817 -0.448 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)NCc2cccc(OC)c2)CC1 761038442 VHLSENIEQJOLKM-HNNXBMFYSA-N 394.497 -0.215 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3(C(N)=O)CCC3)CC2)o1 769118043 CFHHUARMKMWPEC-UHFFFAOYSA-N 375.385 -0.298 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C)(C)S(=O)(=O)CC2)c1=O 773345126 RBNBHFDXSVXDLW-UHFFFAOYSA-N 398.485 -0.600 30 20 GBED N#CC1(NC(=O)COC(=O)/C=C/C(=O)OCC(=O)NC2(C#N)CCC2)CCC1 784188589 UKWMTBPNSODQDH-ONEGZZNKSA-N 388.380 -0.246 30 20 GBED CS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 788385405 RMGMTAAQMNIRTP-UHFFFAOYSA-N 382.417 -0.493 30 20 GBED N#Cc1cncc(S(=O)(=O)NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 813984108 OGBDGTXAKIRPHS-UHFFFAOYSA-N 377.382 -0.377 30 20 GBED C#CC[C@H](NC(=O)c1ccc(C(=O)N[C@@H](CC#C)C(=O)OC)nc1)C(=O)OC 837948573 WZRPJXSTKGIPTC-GJZGRUSLSA-N 385.376 -0.329 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@]2(CCOC2)C1 848958175 JLYUQUZJMIOSPZ-HNNXBMFYSA-N 389.499 -0.393 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1cnsn1)[C@@H]1CCCO1 848962852 AOAHNQLNMUBCKF-MNOVXSKESA-N 394.500 -0.230 30 20 GBED CC(C)(C)OC(=O)NCCNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 858182899 LTEJCVXDYHDSFU-UHFFFAOYSA-N 378.389 -0.088 30 20 GBED CCn1ncc(C(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)n1 863379200 QILHMHRAFXJVJC-UHFFFAOYSA-N 388.384 -0.282 30 20 GBED C=CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)nn1 1023955076 QQLXOICWIOCPGY-RGCMKSIDSA-N 390.444 -0.930 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cncc3ncn(C)c23)C1 1024372430 KVYBNDNLLHZVIB-MPESAESLSA-N 385.424 -0.139 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NC 1109804115 CUPLDYUCNAEVTO-BARDWOONSA-N 379.461 -0.366 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1(C(N)=O)CC1 1110963101 NGLXDYDYKWNHBQ-LPWJVIDDSA-N 377.445 -0.626 30 20 GBED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC(=O)NC)C1=O 1318155741 UUPNVGBHBNPQTB-NSHDSACASA-N 377.426 -0.401 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCC(=O)N3CCOCC3)CC2)cc1 1322656193 ZPJHIYFDXDCPDE-UHFFFAOYSA-N 399.451 -0.823 30 20 GBED Cc1ccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(=O)n1C 1325834753 CHMKZTOMFDHJCQ-UHFFFAOYSA-N 394.435 -0.075 30 20 GBED COCCN(C(=O)C(=O)NCCc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 1333342217 SSNWXIRWHRLGCT-INIZCTEOSA-N 393.465 -0.121 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccn3ccnc3c2)CC1 1333753968 LMEWJVAUBGDYDV-UHFFFAOYSA-N 376.442 -0.371 30 20 GBED C=CCn1c(CN2CCC(C(N)=O)CC2)nnc1N1CCN2CCOC[C@@H]2C1 1339880964 ZXFYYKAFWXAGGV-INIZCTEOSA-N 389.504 -0.318 30 20 GBED COCc1nccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n1 1350146289 STABIXYTNNXMQF-UHFFFAOYSA-N 398.427 -0.176 30 20 GBED C=CCN(C(=O)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1)[C@H](C)COC 1350527654 LAFMRVKKVFULMW-QZTJIDSGSA-N 396.532 -0.051 30 20 GBED C#CCNC(=O)[C@@H](C)N(C)[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573285187 DXAOZYHNAKJREQ-TZMCWYRMSA-N 384.444 -0.131 30 20 GBED C#CCO[C@H](C)C(=O)NC1(CNc2ccc(-c3nn[nH]n3)nn2)CCOCC1 1573287028 KPLLZLSDFIZNMQ-GFCCVEGCSA-N 386.416 -0.228 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(O)CCN(C(=O)CCOCc2cnn[nH]2)C1 1575111456 DVPMGANBTFZSNR-VKJFTORMSA-N 393.444 -0.618 30 20 GBED N#C[C@@]1(C(=O)N2CC(n3cc(-c4nn[nH]n4)c(O)nc3=O)C2)C[C@H]2CC[C@H]1C2 1581856793 DHMURYMPBFGLFS-YMNVWFMLSA-N 382.384 -0.158 30 20 GBED C#CCNCCC(=O)NC[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588353832 IUTFLLLZGJNUFD-CQSZACIVSA-N 384.444 -0.081 30 20 GBED C=C[C@](C)(O)CC(=O)N1C[C@@H]2C(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C1 1588499631 LEWUVCJQRCXOBC-VFVRVIDISA-N 385.428 -0.044 30 20 GBED Cn1cc([C@@H]2C[C@H](C(=O)O)CN(S(=O)(=O)N3CCO[C@@H](C#N)C3)C2)cn1 1594533608 BCSUJEWGXXKUBC-DYEKYZERSA-N 383.430 -0.621 30 20 GBED C#C[C@H](NC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCO1 1609019509 VXQJVKXYSDWCLK-KBPBESRZSA-N 390.425 -0.558 30 20 GBED N#CCOc1cccc(CNC(=O)C(=O)N2CCC([C@H](O)C(=O)O)CC2)c1 1610623391 MTFBHUXAQGJYSE-HNNXBMFYSA-N 375.381 -0.111 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](CO)CC1OCCO1 1643839712 UCTKQQKPBVRRGE-DGCLKSJQSA-N 383.426 -0.535 30 20 GBED CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1768297787 RIBKEYFCVWKZLB-ABAIWWIYSA-N 399.452 -0.390 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(=S)NC)C2)C1 1779035658 YOXHJFCPIDIMRD-KSSFIOAISA-N 396.513 -0.661 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3c1CCCC3)CCO2 1783562113 CMWDMAHANMIZAA-LJQANCHMSA-N 386.408 -0.180 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncnc3)[C@H]2C1 1786110662 ZOLLDJCFVYCWRR-MLCVQOOXSA-N 399.451 -0.072 30 20 GBED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)n3)[C@H]2C1 1787439479 USFICRLQLDDWEB-GVXVVHGQSA-N 375.385 -0.215 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OC)cn1)C2 1793342440 OLMSBGFDCPKOMM-VWPFQQQWSA-N 388.424 -0.273 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)CC)C2 1793353753 FSUKHYHXUZIATL-AYDFFVQHSA-N 388.486 -0.398 30 20 GBED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1CC1)c1cc(=O)n2[nH]nnc2n1 1793469405 SBDUVMNEYPTSCH-CLLJXQQHSA-N 381.396 -0.522 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O 1796343168 JAOIXZIKKCYAPA-FMSGJZPZSA-N 390.396 -0.871 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2 1797709960 PFMDWNWGTQWUQA-XYFZXANASA-N 379.457 -0.715 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)C=C 1797939313 DYODGASGTKBJRK-WVCIDPQESA-N 377.441 -0.695 30 20 GBED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)CCC(N)=O)C3)c1 1798859459 XNNQOUKKTNLMPE-DFGXFYAUSA-N 399.451 -0.646 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C 1799353469 DPMGTNWVQTVBKO-HLPPOEQASA-N 395.456 -0.515 30 20 GBED CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)ON=C(C)C)C(=O)O 1799393429 FTOGHEJEHUJPKP-XYFZXANASA-N 398.460 -0.560 30 20 GBED COC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)ON=C(C)C 1799396278 PWTGGRDYMXPYRQ-GUIRCDHDSA-N 384.433 -0.267 30 20 GBED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O 1801121103 ZJEROSZCKTYFJC-YVWYUNDQSA-N 387.436 -0.305 30 20 GBED C[C@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801985274 ZZHSJHHRQVKRMS-ZDFLXESQSA-N 393.440 -0.114 30 20 GBED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCN(C(C)=O)CC1)CC2 1825017574 HXUWBVAFIIZSRX-ZDUSSCGKSA-N 389.481 -0.148 30 20 GBED CS(=O)(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1827215107 JGTSTVDQRWHWRC-VIFPVBQESA-N 399.450 -0.422 30 20 GBED CC(C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1830870961 YRJLSLVTIRTXQS-APWZRJJASA-N 390.440 -0.027 30 20 GBED CCCNC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834756166 SRDCIKPULYGJIO-SFHVURJKSA-N 380.445 -0.337 30 20 GBED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342837 SHOLEJNEVWULQP-GNAXCBTBSA-N 391.424 -0.134 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1837396616 HOKBFGMTZNFUGF-TWOQFEAHSA-N 393.484 -0.456 30 20 GBED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1)n1cncn1 1840416980 BIWUEHVFTNSHKJ-YOEHRIQHSA-N 376.417 -0.401 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CCS(C)(=O)=O)C2 1841056123 RNXJYKBJXJMOBO-WAYWQWQTSA-N 383.470 -0.517 30 20 GBED O=C(/C=N/N1CCCCC1)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844296020 FIPIZYTWIGZFAS-UOBPLZBXSA-N 393.488 -0.688 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)COC)CC2)c1 49246933 ARHXQIZBCMTATH-UHFFFAOYSA-N 379.438 -0.471 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 176003423 GWIMNHJZVGLFTK-UHFFFAOYSA-N 376.482 -0.326 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 263801354 QHTYOOKEAAEMJZ-UHFFFAOYSA-N 397.435 -0.419 30 20 GBED N/C(=N\CCCN1CCN(c2ncccn2)CC1)NCCCN1CCOCC1 264084344 JFMTXTNTNASRKJ-UHFFFAOYSA-N 390.536 -0.385 30 20 GBED C#CCNc1nc(N[C@H](C)C(=O)NCCF)nc(N[C@H](C)C(=O)NCCF)n1 286415860 KTYCRODBGKSTHG-GHMZBOCLSA-N 398.418 -0.311 30 20 GBED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)N2CCNC(=O)C2)CC1 297734346 DXPGZQSVZWIIOF-UHFFFAOYSA-N 392.419 -0.287 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)nn1C 349473898 IRWIWWOPSAQISZ-UHFFFAOYSA-N 376.464 -0.569 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCN(S(C)(=O)=O)CC2)CC1 372410325 QKZPMTJJBYBZHJ-INIZCTEOSA-N 385.534 -0.354 30 20 GBED C[C@@H](C(=O)N1CCCC1)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409500482 KADUYASPVWDZIM-LSDHHAIUSA-N 385.490 -0.916 30 20 GBED O=C(NCC#Cc1cccc(F)c1)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 419683559 XBNXAHFAHLNQPN-KRWDZBQOSA-N 386.427 -0.284 30 20 GBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCCN3)C2)C1 424541569 HNCNQAWDTXDXDC-JONQDZQNSA-N 375.473 -0.098 30 20 GBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1)CC2 433660146 OLBCMTONQDOERJ-CQSZACIVSA-N 377.422 -0.545 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H](O)[C@H](CO)C3)CC2)c(F)c1 460073775 FAHVIDHDTPZMEQ-XJKSGUPXSA-N 376.388 -0.842 30 20 GBED CN(CC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)S(=O)(=O)c1ccc(C#N)cc1 470235972 FDWMNZICJNLMDK-OCCSQVGLSA-N 380.426 -0.672 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cnn(CC(N)=O)c1 480793539 FNPQYOZQFBYRDI-SNVBAGLBSA-N 376.398 -0.454 30 20 GBED N#CCCN(CCC#N)C(=O)CN1CCC(N2CCS(=O)(=O)CC2)CC1 497559130 CRUWUQRZAOAIBV-UHFFFAOYSA-N 381.502 -0.163 30 20 GBED CCOC(=O)COc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1 508323510 WGRWTGFZCKISKP-UHFFFAOYSA-N 386.368 -0.153 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)C1=O 552727219 PZAZXLYEBPLENZ-UHFFFAOYSA-N 398.372 -0.351 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)CC2)c1C#N 562693334 LVUCPHZYZBHODD-INIZCTEOSA-N 399.499 -0.055 30 20 GBED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCC#CCO)c2)CC1 578377789 ZCEWZTKFUKSZJS-UHFFFAOYSA-N 379.438 -0.735 30 20 GBED CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 578735184 YJVHVKVQFQOCEK-AWEZNQCLSA-N 389.460 -0.276 30 20 GBED COCCOC[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 584850388 PJDWOSCSEOHLQX-LBPRGKRZSA-N 391.471 -0.182 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(C)c(S(N)(=O)=O)c2)CC1 741140220 FJYJVVSYYCNZQZ-UHFFFAOYSA-N 392.481 -0.460 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)CC1 742065537 JLSAFTITRGUTSP-GOSISDBHSA-N 397.479 -0.173 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2cccc(C(=O)OC)c2C#N)CC1 761030462 HWMQIYZZSFIEGR-UHFFFAOYSA-N 376.438 -0.070 30 20 GBED CCNC(=O)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767625553 BIOSNCMDFOPWQS-SNVBAGLBSA-N 382.398 -0.386 30 20 GBED COC(=O)CNC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767628130 PVZYRJAWTDUIRI-WDEREUQCSA-N 397.409 -0.554 30 20 GBED C=CCS(=O)(=O)CCNC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 783617533 FGFQANUCTVRGDL-UHFFFAOYSA-N 378.476 -0.886 30 20 GBED Cc1nonc1CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 808241933 NOACDRHXFUVUGA-CQSZACIVSA-N 382.380 -0.217 30 20 GBED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)C(=O)O 833483509 KTDYLXLERLRBPK-RYUDHWBXSA-N 383.426 -0.299 30 20 GBED C#CCOCCN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 851841310 IDGMJJDDARIFEI-UHFFFAOYSA-N 379.438 -0.026 30 20 GBED C#CC1(O)CN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 934446934 QARXLTHRKDUZMW-UHFFFAOYSA-N 377.466 -0.660 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc3n(n2)CCCO3)C1 969278317 JCBFZEOLZBKHDY-OJLVUWQFSA-N 390.440 -0.052 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](OCC)[C@H](CNC(=O)c2nnn(C)n2)C1 983335285 FYVFHDMKPCYYIO-YIYPIFLZSA-N 378.433 -0.606 30 20 GBED N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 1041385991 PEBZEGLBAOCZKT-DTZQCDIJSA-N 383.412 -0.684 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C 1109608168 HZJVWFIFQQDCMD-RFGFWPKPSA-N 377.445 -0.660 30 20 GBED CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 1117248054 UXCQYOSABWCUNV-YPMHNXCESA-N 380.426 -0.477 30 20 GBED COCCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1117827907 SLRQLOJSXHWUPQ-UHFFFAOYSA-N 394.453 -0.504 30 20 GBED N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)nc1 1318585202 HXYRTSCUGPXFSO-ZDUSSCGKSA-N 398.466 -0.772 30 20 GBED CC(=O)N1CC[C@](C)(C(=O)NCC#CCNC(=O)[C@]2(C)CCN(C(C)=O)C2)C1 1320397030 BHEOWKZJXLCQTD-BGYRXZFFSA-N 390.484 -0.261 30 20 GBED C#Cc1cc(F)c(NC(=O)C(=O)Nc2cnn(CC(=O)NCCO)c2)c(F)c1 1321271533 KBDZJKRUIDMZSD-UHFFFAOYSA-N 391.334 -0.172 30 20 GBED C[C@](C#N)(NC(=O)COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C1CC1 1321601086 KFHJDNJYVCGMFA-CJBNDPTMSA-N 397.453 -0.626 30 20 GBED CN(C)S(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2cnn(CC#N)c2)c1 1326639107 NFXIJAZROSNWNN-UHFFFAOYSA-N 390.425 -0.088 30 20 GBED CN(C)CCN(CC(=O)N(C)C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1333722456 YXAMMNAIRVTCHG-NXVVXOECSA-N 380.449 -0.826 30 20 GBED CN(CC(=O)N1CCCC1)C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 1347025591 CJHRZJXLPSRYFU-UHFFFAOYSA-N 384.440 -0.317 30 20 GBED NCCC(=O)NC[C@@H]1CCCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 1349487318 MJPJPVYSAUDZOT-BZSIDJSBSA-N 377.445 -0.251 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H](C4OCCO4)C3)CC2)nc1 1352920307 OHAPGZZDPDHVFM-HNNXBMFYSA-N 385.424 -0.177 30 20 GBED C[C@H](C#N)C(=O)N1CC(N2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 1573562729 WVMNYFRNHNMXGH-LLVKDONJSA-N 383.416 -0.677 30 20 GBED C#CCN(CCOC)c1nnc([C@H]2COCCN2)n1CCNC(=O)C1CC1 1574667157 NMKOQOUIKRNNAN-OAHLLOKOSA-N 376.461 -0.449 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2cnn[nH]2)nc1 1575071767 BVMZSHWCSXATOE-UGSOOPFHSA-N 388.428 -0.257 30 20 GBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588354578 QNRVZRQVHPASEC-UGSOOPFHSA-N 382.428 -0.472 30 20 GBED C#CCO[C@H](C)C(=O)NCC1(O)CN(Cc2ccc(-c3nn[nH]n3)s2)C1 1588358051 SPMJPCDDZAQBLZ-LLVKDONJSA-N 376.442 -0.371 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1778391680 BKCSUNCLRPLJOM-FQEVSTJZSA-N 397.387 -0.287 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780247643 TUUMZAGUSCBILF-AUUYWEPGSA-N 390.440 -0.214 30 20 GBED Cc1nc(N)sc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783563078 VVIDINYJOWGQTM-MRXNPFEDSA-N 378.410 -0.435 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnn3)C[C@@H]21 1788572530 IPDAESICPPZHII-VGWMRTNUSA-N 391.472 -0.169 30 20 GBED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(C)=O 1797972369 XHILNSDCOGMMSV-USACIQFYSA-N 381.473 -0.061 30 20 GBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1801001910 BEXWBUVLEQMUQX-CXHZTBPHSA-N 389.456 -0.377 30 20 GBED N#CCCC(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1806860765 QREWUDJIRNWJHJ-KDOFPFPSSA-N 398.423 -0.057 30 20 GBED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3CNC(=O)C3)sc2C1 1825203261 HWAAFKUYAMEPOZ-IUCAKERBSA-N 376.394 -0.721 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CC(O)C2)CCO3)c1 1830585543 KDHGZVPLZIAIOG-ZOJXTTQQSA-N 388.424 -0.273 30 20 GBED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1831209385 LLHABGVMIHHJEC-FQEVSTJZSA-N 384.436 -0.111 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)n(C)n1)CCO2 1833411644 NPNQKGRWRULYQX-GOSISDBHSA-N 376.413 -0.391 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833840482 WSYHLGDVDJWYGX-KSSFIOAISA-N 393.444 -0.524 30 20 GBED Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)n1 1833886399 UDUIBDURCCSVGP-GOSISDBHSA-N 388.428 -0.421 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834440742 DLHVICQLSZHWQQ-KXBFYZLASA-N 390.440 -0.472 30 20 GBED CCOc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)nn1 1834765847 LDHDJZQTJIAKJM-SFHVURJKSA-N 389.412 -0.141 30 20 GBED CC[C@@H](NC)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1834795503 XMWBKMWNSUXMCC-MRXNPFEDSA-N 378.473 -0.356 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1835353626 AMKZIJLWKBDHOW-GOSISDBHSA-N 378.429 -0.631 30 20 GBED Cn1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)n1 1836055379 IVSPGVKLCPFMNE-HXUWFJFHSA-N 386.452 -0.168 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1836508082 JIGJOXIZXRENPN-INIZCTEOSA-N 379.373 -0.036 30 20 GBED N#CCC(=O)N1CCC(OC2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1837634095 CKDIWIVIYSMXGO-UHFFFAOYSA-N 376.461 -0.261 30 20 GBED O=C1C[C@H](C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@H]3CCCCO3)C2)CN1 1844302607 DOHDJWGLFRSPBZ-DIDNWDTISA-N 378.429 -0.145 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(N3CCCC3=O)CC2)c1=O 104656506 OCHIYYONEQZUHF-UHFFFAOYSA-N 389.456 -0.412 30 20 GBED COC[C@@](C)(NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC 268842138 CXTGAEFETLQSGO-BDJLRTHQSA-N 383.426 -0.081 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCN3C(=O)CNC3=O)C2=O)cc1 272488290 DZGLHNVVQRJQRZ-CQSZACIVSA-N 384.396 -0.095 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)CCCN1CCOCC1 274212700 LJTSOGJJNDUSBT-OAHLLOKOSA-N 394.501 -0.089 30 20 GBED C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 297873505 UOUUHDVOHANBNN-HOCLYGCPSA-N 387.440 -0.400 30 20 GBED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)C(C)(C)C1 349470971 ZDSHILWUTFYWBV-OLZOCXBDSA-N 381.520 -0.123 30 20 GBED N#Cc1c(NS(=O)(=O)CCCS(=O)(=O)N2CCOC2)n[nH]c1C1CC1 349511789 QZKSHUBTMUAJLA-UHFFFAOYSA-N 389.459 -0.090 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)NCC1(C#N)CC1 349577979 RUYJJTOOZJXOTC-LBPRGKRZSA-N 392.528 -0.130 30 20 GBED CN(C)S(=O)(=O)c1cccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)c1 409506275 BYIOESNLNIBOJS-ZDUSSCGKSA-N 388.471 -0.504 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 430388631 YMRUHGTZXOQLKL-KKUMJFAQSA-N 387.502 -0.128 30 20 GBED CN(C[C@@H]1C[C@H](F)CN1Cc1ncccn1)c1c(C#N)c(=O)n(C)c(=O)n1C 480228309 JNNJHZRGJKKXSZ-STQMWFEESA-N 387.419 -0.206 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCOCCO)cc1 518999860 MHRBFAQSPSWSPQ-UHFFFAOYSA-N 391.471 -0.492 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 525196852 UCGUYBKNEYNPNN-MUIFIZLQSA-N 390.440 -0.777 30 20 GBED C[C@@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)CN1CCCC1 560014965 JUXRYBDQVVCZAV-ZDUSSCGKSA-N 375.477 0.103 30 20 GBED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C(C)C 563732679 OCIHDLBPMARLPX-IXDOHACOSA-N 391.516 -0.428 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC(=O)N(C)C2)cc1 570738565 ADEBYEABUFLACN-LLVKDONJSA-N 386.455 -0.361 30 20 GBED CN(C)S(=O)(=O)CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 575378188 GEGQIPGIFYHWDN-OAHLLOKOSA-N 393.469 -0.150 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2C)CC1 728535657 CAIMKRKLQNKZPZ-UHFFFAOYSA-N 378.454 -0.850 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)N(CC(=O)O)CC(=O)OC)ccc1F 736106306 XZHYDKWYWFQAAZ-UHFFFAOYSA-N 388.373 -0.010 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@H]([C@H]3CCCO3)C2)c1=O 756857596 FWIDKEYAUYQVLC-HUUCEWRRSA-N 378.429 -0.619 30 20 GBED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761038177 LJNCJPGCKDVSBZ-UHFFFAOYSA-N 391.403 -0.053 30 20 GBED COC(=O)CCNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767678245 XLCLPIFPHRZLOJ-LLVKDONJSA-N 397.409 -0.552 30 20 GBED CNS(=O)(=O)CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 784570770 HQFSHISHRGMERH-MNOVXSKESA-N 375.451 -0.406 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3NC(=O)O[C@H]3C)CC2)o1 786063092 JVKBNUMSBJIRFM-TVQRCGJNSA-N 377.357 -0.457 30 20 GBED C#CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)NC)CC2)cc1 839647191 OYGSOMGUSHEGBX-UHFFFAOYSA-N 380.426 -0.755 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)C2(C(=O)OCC)CCC2)CC1 866811524 ZQHQTIXNBJZUSS-UHFFFAOYSA-N 385.486 -0.441 30 20 GBED N#Cc1cc(F)ccc1N1CCN(C(=O)C(=O)NC[C@H]2COCCN2)CC1 884814213 BAIXZBWUKDPFJG-HNNXBMFYSA-N 375.404 -0.549 30 20 GBED CN(C(=O)COC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)C(C)(C)C#N 920603868 BFGKJUNCVVYARH-UHFFFAOYSA-N 375.385 -0.507 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc3[nH]nnc3c2)C[C@@H]1O 964503185 IDHCLQUAQPCOLU-ATGSNQNLSA-N 386.412 -0.364 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn3c(n2)COCC3)C1 968433405 MAEWMSLTMNXKIL-VDERGJSUSA-N 390.440 -0.304 30 20 GBED C#CCN1CCC(C(=O)N2C[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@]3(C)C2)CC1 993446641 YBQUKGKEZHRSLL-VWXURSGXSA-N 386.496 -0.240 30 20 GBED C[C@@H]1CCO[C@@H]1C(=O)N1CCN(C(=O)C#CC2CC2)[C@H]2CS(=O)(=O)C[C@H]21 995450175 NPQWXZXEDUMMSX-JWDQPFGJSA-N 380.466 -0.339 30 20 GBED C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2n2ccnn2)CCN1C 1051472317 AQJPVNZHVPRCLR-MIGQKNRLSA-N 381.444 -0.174 30 20 GBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C[C@@H]1n1ccnn1 1070272193 ABEINXXFSSVXBU-TWMKSMIVSA-N 386.456 -0.577 30 20 GBED CC(=O)N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 1116205579 ULIJKBOLKPFXQG-UHFFFAOYSA-N 381.396 -0.173 30 20 GBED C=CCN(CC=C)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1220362457 XRLGOLUPNZGFJA-QXSJWSMHSA-N 378.473 -0.750 30 20 GBED CN(C)C(=O)Cn1cnc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)n1 1310309020 ZYADKWDUVBWWHX-UHFFFAOYSA-N 383.416 -0.013 30 20 GBED N#C[C@@H](C(=O)CN1CCN2C(=O)C(=O)NC[C@@H]2C1)c1nc(O)c2ccccc2n1 1319997081 XVRFSNNDGGWJJX-YPMHNXCESA-N 394.391 -0.846 30 20 GBED COCCNS(=O)(=O)c1ccc(CNC(=O)C(=O)NCCCC#N)cc1 1323410549 DQMOFRFLPPUOQG-UHFFFAOYSA-N 382.442 -0.353 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCO[C@H](C#N)C3)C2=O)cc1 1325270620 JPHQDNAQTZAUDT-HZPDHXFCSA-N 381.392 -0.079 30 20 GBED Cn1cc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nn1 1326602429 FJAPCBCSXRGEHZ-HNNXBMFYSA-N 381.396 -0.780 30 20 GBED C#CCNC(=O)C1CCN(C(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 1327166512 CKZPZOIWTFYEEI-JHNDHUHGSA-N 387.436 -0.473 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2Cc2cccc(C#C)c2)CC1 1334362475 AYXKLMVMNKFQKX-UHFFFAOYSA-N 385.453 -0.708 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1339064846 YTHYDTPHJFFBGE-ZCXUNETKSA-N 375.429 -0.023 30 20 GBED C#CCNC(=O)C1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2OC)CC1 1340085738 GXGGOSXKIUDREG-UHFFFAOYSA-N 379.438 -0.056 30 20 GBED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nncn1C 1359467416 RQJVOWXYORQDOV-GHMZBOCLSA-N 381.466 -0.339 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc([C@@H]2CCC(=O)N2)n1CC[S@](=O)CC 1574954765 NPBOKPHHMDUOMS-JGTBNHKDSA-N 390.473 -0.244 30 20 GBED C#CCNC(=O)CN(C)C[C@H]1CCCN(C(=O)CCOCc2cnn[nH]2)C1 1575005004 RTDIEXDJOSIAQR-OAHLLOKOSA-N 376.461 -0.369 30 20 GBED C#CCNC(=O)CN1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC[C@@H]21 1588354748 XXUDWWDRLGWRMC-WFASDCNBSA-N 382.428 -0.519 30 20 GBED C=C(C)[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O)OCC 1588401488 SDUSQDLWETYGCN-RDBSUJKOSA-N 388.432 -0.306 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](CO)N=c1cc[nH]cc1-c1nn[nH]n1 1588404195 FHVKGYMLQDKTRD-SWLSCSKDSA-N 388.432 -0.957 30 20 GBED C=CCN1CC[C@H](N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1=O 1588654236 BWSZZOYCZJGOJD-HUBLWGQQSA-N 382.428 -0.120 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)nn1 1588713437 LKTXAKMSCNDRAS-ZBFHGGJFSA-N 395.427 -0.381 30 20 GBED Cn1cc(C(=O)NCC2CCN(c3cnc(C#N)c(-c4nn[nH]n4)n3)CC2)cn1 1606232730 QDSWOJIJQVUFLN-UHFFFAOYSA-N 393.415 -0.092 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CC(Oc3ccc(-c4nn[nH]n4)cc3)C2)C1 1609493526 KVYBQJZFMOXJAW-QGZVFWFLSA-N 385.359 -0.080 30 20 GBED CNC(=S)NCCC(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1779035387 VCBSQRLWKBYFMX-SFHVURJKSA-N 378.498 -0.286 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN(C)C)C[C@@H]21 1783530345 UELQRTODGQORSC-ORIYOMJCSA-N 392.500 -0.224 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC(C)=O 1792530946 GMDGNOQJZZJXQG-RKOFLFEYSA-N 379.457 -0.471 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(C)C(=O)CC1 1793784562 UBEUGAHPKVWGHZ-ZJOBFFGXSA-N 392.456 -0.225 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CC(=O)NC1=O)C2 1798393492 UBIABBGJHVKWAX-CRWXNKLISA-N 392.456 -0.251 30 20 GBED CC(=O)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)ON=C(C)C 1799397623 SZAHSCHRRLCKAY-FAYQHZLMSA-N 382.461 -0.097 30 20 GBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OC(C)(C)C 1799684620 JHUHAUKZYADJMH-YXPYIKCWSA-N 395.456 -0.168 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(=O)OCC)CC1 1800363243 WVPRMEBTIFNMQO-LVQVYYBASA-N 392.452 -0.042 30 20 GBED COC(=O)NCC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1813269294 QMVJWDOGTFAWPK-CXAGYDPISA-N 388.380 -0.469 30 20 GBED CN[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)C(=O)O 1835752449 QHRHPBOYJICQEI-FZKQIMNGSA-N 396.444 -0.945 30 20 GBED N#CCC(=O)N1CCC(OC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1837115128 GTCFJJNPYVTWJM-AWEZNQCLSA-N 391.428 -0.503 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CC)C2)C1 1839173112 ARNSFYVBQYRNNJ-BEFAXECRSA-N 398.456 -0.277 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1840162538 ZPVGNOZKSYVAMI-ACJLOTCBSA-N 395.481 -0.226 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CSc2nc[nH]n2)C1 1846567431 YUPOXRUSJUVMJF-PLNGDYQASA-N 390.469 -0.041 30 20 GBED CC(=O)N1CCN(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C(C)(C)C#N)CC1 1847347639 JLEKYXJZIASZGD-HOTGVXAUSA-N 375.473 -0.098 30 20 GBED COC(=O)CNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 25179979 AGDNGVXKAYYQML-ZDUSSCGKSA-N 394.453 -0.458 30 20 GBED COc1ccc(S(=O)(=O)N2CCO[C@H](C#N)C2)cc1[C@@]1(C)NC(=O)NC1=O 264405811 RSMUKKIILMGMMN-QLJPJBMISA-N 394.409 -0.337 30 20 GBED COC[C@](C)(NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC 268842141 CXTGAEFETLQSGO-BZNIZROVSA-N 383.426 -0.081 30 20 GBED C=CCN1CC[C@@H](N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)C1=O 328852610 XBAMBITXUOJEHX-OWCLPIDISA-N 386.518 -0.255 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCOC2)ncc1C#N 349550093 HSLRTWHLEIDVNE-CYBMUJFWSA-N 388.471 0.102 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN([C@H](C(=O)O)C(C)C)C1=O 417444492 CWNRDTCQRYGBNK-OLZOCXBDSA-N 390.462 -0.607 30 20 GBED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)cc1 420202957 PUJAEORLSMCSQT-SFHVURJKSA-N 385.468 -0.303 30 20 GBED Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 431714743 ZSGGIHXHQAAXOZ-UHFFFAOYSA-N 382.384 -0.837 30 20 GBED COc1ccc(C#N)cc1NC(=O)C(=O)N(CCO)CCN1CCOCC1 437229864 AGVXJNQBDVVQCT-UHFFFAOYSA-N 376.413 -0.342 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@H](N4CCOCC4)C3)CC2)c1 459911303 VPBDKHLUGIZIAI-KRWDZBQOSA-N 398.467 -0.465 30 20 GBED CC[C@@H](C#N)S(=O)(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 462065712 DUNLFPGDFJCVJS-LBPRGKRZSA-N 386.455 -0.149 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N[C@H](C)C(C)(C)O)c1C#N 594637511 CGJFVCPOVNLANZ-SNVBAGLBSA-N 393.491 -0.200 30 20 GBED COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)Cc1c(F)cccc1C#N 598907875 XVGXZSGRIFOUCH-FZMZJTMJSA-N 388.355 -0.066 30 20 GBED COc1cc(NC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)c(F)cc1C#N 599933382 DKSJCHLIIOTVPV-UHFFFAOYSA-N 391.403 -0.075 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CC(N)=O 608911818 QOACZPUOKJEPAP-UHFFFAOYSA-N 398.444 -0.791 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)CC1 728532755 IZAABIKRUMWSLN-OAHLLOKOSA-N 384.436 -0.306 30 20 GBED COC(=O)CCNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767678247 XLCLPIFPHRZLOJ-NSHDSACASA-N 397.409 -0.552 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cn3cccc(C)c3n2)CC1 831561029 OBLTZKQISWFOFY-UHFFFAOYSA-N 375.454 -0.203 30 20 GBED C[C@H](CC(=O)N[C@@]1(C(N)=O)CCOC1)/N=C1/NS(=O)(=O)c2ccccc21 848317577 GGIXUCSWVLWSCS-HWPZZCPQSA-N 380.426 -0.736 30 20 GBED CCOC(=O)CON=C(C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1)c1cc[nH]n1 855681260 QUFXGXQRKJUHQM-RYUDHWBXSA-N 377.401 -0.179 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CC2CS(=O)(=O)C2)[C@H](OC)C1 942566608 OJBMVXVVFIOSSM-APIJFGDWSA-N 386.470 -0.646 30 20 GBED CO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 944819809 HVJOBRZJRPGQRK-QXEFRVRVSA-N 388.424 -0.107 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@@H]1O 964504189 SJUALYBKNTUWKK-GUSZCTEKSA-N 389.456 -0.175 30 20 GBED C=CCCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCN(C)[C@@H]3C)C2)nn1 964633778 NHERMDFZNDZVEM-KQTLUZQSSA-N 376.461 -0.504 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)c(C)cc2=O)C1 966771174 FAZBYYJFYBQWSN-IRWJRLHMSA-N 375.425 -0.414 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3nnc(O)nc3O)[C@@H]2C1 1022257349 ZXDHSBLAFJLHBY-QCNOEVLYSA-N 375.385 -0.453 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)CC 1109082459 YHHMPZJAXMSHIP-MQYQWHSLSA-N 379.461 -0.366 30 20 GBED NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#Cc1ccccc1 1109721652 QSLPZWVCFRXNAN-GFEQUFNTSA-N 394.475 -0.003 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](CC)NC(C)=O 1109749767 LHMPKEHKZXVGJQ-QPSCCSFWSA-N 379.461 -0.366 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1C[C@@H](C)CC(=O)N1 1110573362 AAASMQORXVSWRQ-RYPNDVFKSA-N 391.472 -0.366 30 20 GBED N#CCN1CCC[C@H](CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 1116201590 ABIOLBZSDNCKQI-ILXRZTDVSA-N 382.486 -0.626 30 20 GBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@@H]1n1ccnn1 1129939492 GVHAXPIBXPDLJQ-RNGZQALNSA-N 388.472 -0.263 30 20 GBED CCN(C(=O)C(=O)NCCNc1ncccc1C#N)[C@@H]1CCS(=O)(=O)C1 1321573076 SAQICAAVPBCGPX-CYBMUJFWSA-N 379.442 -0.483 30 20 GBED C[C@@H]1CN(C(=O)C(=O)NCC2(CC#N)CC2)CCN1c1nccn2cnnc12 1324829538 KBLVQGBOROBGOK-CYBMUJFWSA-N 382.428 -0.029 30 20 GBED CC#CCN(C)C(=O)C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 1325093357 NRJDMQHIFAOPNS-AWEZNQCLSA-N 383.404 -0.008 30 20 GBED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3CCC[C@@H](OCCO)C3)C2)nc1 1325176487 CVCFVPGJVOIPNY-HZPDHXFCSA-N 388.424 -0.067 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)CCN1Cc1ccccc1 1331172769 CHOVBBVZQLQCGH-HZPDHXFCSA-N 384.440 -0.508 30 20 GBED C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)C1 1342244471 JVYMYBKZURSSCJ-KRWDZBQOSA-N 394.453 -0.016 30 20 GBED C#Cc1ccc(C(=O)N(C)C[C@H](O)CN=c2cc[nH]c(-c3nn[nH]n3)n2)cc1 1573290588 ZYDHAMCAWXQRGJ-CQSZACIVSA-N 378.396 -0.395 30 20 GBED C=C(C)CCC(=O)NC[C@H]1COCCN1C(=O)CC(=O)NCc1cnn[nH]1 1575048733 GWOMBLRBNPVHQB-AWEZNQCLSA-N 378.433 -0.489 30 20 GBED C=CCN1CC[C@H](N2CCOC[C@@H]2CNC(=O)CCCc2cnn[nH]2)C1=O 1575103941 KTNWQSZSKCEZAD-HOTGVXAUSA-N 376.461 -0.269 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(C)CCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588352184 FOZBQBZKEKIHBU-HNNXBMFYSA-N 384.444 -0.129 30 20 GBED C#CCOCCC(=O)NC[C@H]1CN(c2nc(C)ccc2-c2nn[nH]n2)CCO1 1588361938 UVYPMSNKUIZTFG-AWEZNQCLSA-N 385.428 -0.069 30 20 GBED C=CCCn1cc(C(=O)N[C@H](C)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)nn1 1588621025 RXLUDHHNYIQHNU-SNVBAGLBSA-N 384.404 -0.089 30 20 GBED CCc1nc(-c2nn[nH]n2)cc(N2CCC(CO)(NC(=O)[C@H](C)C#N)CC2)n1 1604544875 VJAPPGBUQHOPBQ-LLVKDONJSA-N 385.432 -0.174 30 20 GBED Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CCN(O)C1=O 1609454527 JQUNEGQACYVKCE-GFCCVEGCSA-N 385.388 -0.435 30 20 GBED N#Cc1cn(CCNC(=O)c2cccn2CCN2CCOCC2)c(=O)nc1O 1646148477 UHWDTILPBPOQKC-UHFFFAOYSA-N 386.412 -0.616 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=S)NC)C2)C1 1779034533 FSBNAHPKVKJTNA-RDTXWAMCSA-N 398.529 -0.109 30 20 GBED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2 1780804200 YUUWZQXHVRWCIC-BASYENTBSA-N 383.493 -0.413 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782282185 NACNBNXALADLTB-SFHVURJKSA-N 388.380 -0.803 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)OC)C2)C1 1784259322 DWNSJTSJSRLCMB-ACJLOTCBSA-N 383.445 -0.255 30 20 GBED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1784370371 VSNSSJSEBKOIOB-CRAIPNDOSA-N 388.428 -0.800 30 20 GBED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786886435 VELCYXXAQPSNJX-FQUUOJAGSA-N 379.461 -0.891 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnc1)C2 1792485622 OFMSPZSOMSMLDH-KQORHLAWSA-N 387.440 -0.669 30 20 GBED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(=O)n4[nH]cnc4n2)C3)CC1 1795846341 YDTZTGLWWLLXJW-ZSBIGDGJSA-N 381.396 -0.027 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)NCC 1797694180 FDHUAKPJAUTESD-NPJQDHAYSA-N 396.488 -0.125 30 20 GBED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1800490800 BPZUBCLRNQBALJ-WHPHWUKISA-N 378.429 -0.614 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C(=O)C(=O)O 1801329194 RXMCGSVNEJTSHM-XJFOESAGSA-N 395.456 -0.259 30 20 GBED CN[C@@H](CC(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1)C(=O)O 1809840124 YDDIEVPGFDZYBT-ZDUSSCGKSA-N 379.413 -0.632 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(C)(C)O)C2)C1 1831391108 GVILLBRQZUWFEG-KXBFYZLASA-N 382.457 -0.358 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1 1831394292 ZYAHFBZHBGYMPW-MDZRGWNJSA-N 380.441 -0.340 30 20 GBED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1838952597 BEIFSSJOMBCYAM-FQEVSTJZSA-N 397.387 -0.284 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cccnc3)C2)C1 1840041094 PYJACMGNJBLIET-YADGQWAMSA-N 399.403 -0.361 30 20 GBED CC(=O)C[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840133047 SYDFUMZVFORQEQ-UGSOOPFHSA-N 380.397 -0.854 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1840165877 MMPAUKIDQNKMPQ-CZUORRHYSA-N 383.474 -0.557 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)n[nH]4)C3)C2)CCC1 1840812615 AUNGFNNPXWPYMM-GOSISDBHSA-N 389.412 -0.121 30 20 GBED O=C(Cn1ccncc1=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844260000 GKICMZJGUSJHLE-CIAFOILYSA-N 386.456 -0.082 30 20 GBED Cn1c(=O)c2c(ncn2CCC(=O)Nc2[nH]nc(C3CC3)c2C#N)n(C)c1=O 290270834 AEMXHENCSVUKFB-UHFFFAOYSA-N 382.384 -0.065 30 20 GBED C[C@@H]1CN(C(=O)Cn2cc(N/C(O)=N/C[C@]3(O)CCOC3)cn2)C[C@@H](C)O1 328835554 MIOLFVYLUYCPJH-PBFPGSCMSA-N 381.433 -0.004 30 20 GBED O=C(CN1C(=O)CCC1=O)N1CCN(C(O)=Nc2cnn(CC(F)F)c2)CC1 329840341 OCLWXBFHJAWCDG-UHFFFAOYSA-N 398.370 -0.013 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2C[C@H]3[C@H](O)CC[C@H]3C2)CC1 349488920 GEYBQGWZKBVDTH-YNEHKIRRSA-N 377.488 -0.615 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C1(C)C 349526514 TXLYQMVPVAQTCC-NSHDSACASA-N 380.492 -0.862 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCCS(=O)(=O)N[C@H]2CCOC2)c1C#N 349559963 ANCVXJVSKBPUOD-NSHDSACASA-N 391.475 -0.180 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H]3CNCCO3)C2=O)cc1 418912070 QVDYSOMSUYEDNU-HOTGVXAUSA-N 385.424 -0.726 30 20 GBED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 468975833 NMMISGFWJCGAOM-HNNXBMFYSA-N 398.533 -0.953 30 20 GBED COC(=O)[C@@H]1COCCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 471746396 LHHVTEZOQCIXHH-ZDUSSCGKSA-N 381.410 -0.189 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2nc(COc3ccccc3)n[nH]2)C1=O 474601255 XIPIMFAAAIMFAP-UHFFFAOYSA-N 398.379 -0.023 30 20 GBED CNS(=O)(=O)N1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 550101983 RNBQYMRQVAOVRV-UHFFFAOYSA-N 389.441 -0.452 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1COCCO1 566488013 HSXLJIMRQXEZMU-NWDGAFQWSA-N 389.455 -0.429 30 20 GBED CO[C@@]1(CNS(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)CCOC1 575762168 JNVFBWIIQLUWCT-CQSZACIVSA-N 389.455 -0.428 30 20 GBED CN1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC#N)CC#N)cc2)CC1=O 579613744 BBEVUBKNGMUBSB-UHFFFAOYSA-N 397.438 -0.855 30 20 GBED CNS(=O)(=O)CCNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 615200147 NYFBBDUHHOLDSC-UHFFFAOYSA-N 382.446 -0.196 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)N1CCNC1=O 767638501 TUSLUSCXNBVVFK-WDEREUQCSA-N 394.409 -0.291 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2ccc(-n3ccnc3)cc2)c(=O)n(C)c1=O 771897782 RFVNBJIORRPTIN-UHFFFAOYSA-N 388.409 -0.418 30 20 GBED Cc1c(C(=O)NS(=O)(=O)CCCC#N)cnc2c1c(=O)n(C)c(=O)n2C 776116952 GCRYCGONBZRBJM-UHFFFAOYSA-N 379.398 -0.696 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cn(C)nc2-c2cnn(CC)c2)CC1 778707316 PBBABKQCRQVBEA-UHFFFAOYSA-N 383.456 -0.189 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1)[C@@H]1CCCO1 806985920 FBLCIDZYEZEGLP-STQMWFEESA-N 383.401 -0.031 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCO[C@@H](C#N)C1 820438231 LEFPKGHDMOBYHX-JQWIXIFHSA-N 391.413 -0.716 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CN2C(=C)c3ccccc3C2=O)CC1 831556978 YIUDRLUBNHTOGX-UHFFFAOYSA-N 388.449 -0.275 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1 831561511 YEDDKIKKNNSLTE-UHFFFAOYSA-N 378.458 -0.698 30 20 GBED CN(C)S(=O)(=O)N(C)CC(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 845199382 DQEOOOGPGIDQOD-CQSZACIVSA-N 380.426 -0.055 30 20 GBED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CCCN(O)C1=O 848137296 CLTBEHQMHZDUJI-GFCCVEGCSA-N 386.430 -0.844 30 20 GBED C=CCn1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@@H]2CCN(C)[C@@H]2C)nn1 960460536 ZXTPVDHFIYNPKK-TXCZRRACSA-N 388.472 -0.144 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@@H]1O 964613828 PTKISLLDGNTYFG-OJLVUWQFSA-N 389.456 -0.175 30 20 GBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@]34COC[C@@H]3C4)C[C@@H]2n2ccnn2)c[nH]1 990847616 FFHATMKFUJMNHJ-OGIUKLMXSA-N 381.396 -0.304 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1c(O)nnc1O 999034149 ZVWMOWKKNDPSCT-DGTMBMJNSA-N 391.428 -0.081 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(OC)nc2)C1 1025456028 FVGVHZWPCYZYQA-YJNKXOJESA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnn2CCOC)C[C@H]1O 1025711019 AENOPGOFOOTNQQ-XOUADPBQSA-N 378.429 -0.578 30 20 GBED N#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1111816129 PSJNDVVABNOPDO-XQWZKXDRSA-N 376.457 -0.352 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)[C@@H]1CCCO1 1117580328 CXPZMJAWECTUJB-SJORKVTESA-N 384.436 -0.269 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CCOCCNC(C)=O)C[C@H]1OC 1212297428 CQEVCADLPQPXFX-ZJPYXAASSA-N 383.489 -0.064 30 20 GBED CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cc1 1326108857 VIADKSJJJABFGB-QGZVFWFLSA-N 379.438 -0.276 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCN(C(C)(C)C)C2=O)CC1 1326168188 WPVQKLQZVPYGCA-CQSZACIVSA-N 376.457 -0.510 30 20 GBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]3[C@H](C2)NC(=O)N3C2CCNCC2)C1 1326583911 GMKZYGZYKASGMN-XRGAULLZSA-N 388.472 -0.458 30 20 GBED N#Cc1ccc(CCNC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)cc1 1327723319 WKPQDBUHEVACQA-UHFFFAOYSA-N 385.453 -0.001 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc([S@@](C)=O)cc1 1334244247 WLQDGJLFPUVHBR-RUZDIDTESA-N 398.466 -0.476 30 20 GBED CCS(=O)(=O)CCn1cc(C)c(NC(=O)C(=O)N2CCO[C@H](C#N)C2)n1 1344007377 WZDVJRZSTUVKCA-GFCCVEGCSA-N 383.430 -0.684 30 20 GBED N#Cc1cccc(NC(=O)CCN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 1345017798 QKYXTTZSETXVSI-DLBZAZTESA-N 392.481 -0.338 30 20 GBED C=CCn1c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nnc1[C@]1(O)CCOC1 1352140839 OSOBWOLULHVIPM-KUHUBIRLSA-N 390.488 -0.139 30 20 GBED COCCO[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1352145744 GBSXBVRGFTWPHN-KRWDZBQOSA-N 387.440 -0.134 30 20 GBED C=CCn1cc(C(=O)NC[C@@H]2CCCN(CC(=O)NCc3cnn[nH]3)C2)nn1 1575111322 DHADZYOQEKPFPS-ZDUSSCGKSA-N 387.448 -0.660 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)C(=O)NCc2cnn[nH]2)nn1 1575112127 PDTQCPAHDVSMOI-DCDXPUDHSA-N 399.459 -0.378 30 20 GBED Cc1cc(=NC[C@H](O)CN(C)C(=O)c2ccc(C#N)[nH]2)c(-c2nn[nH]n2)c[nH]1 1581013993 AHHVFBQASUBACF-LBPRGKRZSA-N 381.400 -0.263 30 20 GBED Cc1nc(N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)ccc1C#N 1581483301 URHAWHWJANGDIV-ZIAGYGMSSA-N 379.384 -0.251 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1C 1588354665 USPTXGZEISTFRN-PWSUYJOCSA-N 384.400 -0.947 30 20 GBED C#CCO[C@@H](C)C(=O)NC1(CNc2cncc(-c3nn[nH]n3)n2)CCOCC1 1588356619 YPQKDHXIVUARJE-LBPRGKRZSA-N 386.416 -0.228 30 20 GBED C=C(CC)CNC(=O)C(=O)N1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C 1588441466 FTWSBIKTWLONGA-LBPRGKRZSA-N 385.432 -0.224 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 1588499562 JXJNENRTRAOYSG-BZNIZROVSA-N 376.421 -0.761 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nn[nH]n2)C[C@H]1O 1602721809 XIJUXMIYNKMQAH-OWCLPIDISA-N 396.455 -0.667 30 20 GBED COC(=O)[C@@H](COC1CCC1)N(C)C(=O)CCn1cc(C#N)c(O)nc1=O 1636221073 QQFFLGXHXGAAAO-CYBMUJFWSA-N 378.385 -0.220 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CC(NS(C)(=O)=O)C2)C1 1679945231 UWEBFJAEMXQAGZ-PWSUYJOCSA-N 387.462 -0.312 30 20 GBED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2sccc2C)C1 1757174888 RIMYKKKGHNLXLA-TUVASFSCSA-N 389.477 -0.013 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1781271524 CZHYVMCPEJVEJD-SFHVURJKSA-N 381.429 -0.409 30 20 GBED CN1CCC(CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783556232 OQDKOHYWNLSWPA-IBGZPJMESA-N 377.441 -0.364 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc3ccccn13)CCO2 1783562037 ZCHUXBHPAULYGU-LJQANCHMSA-N 382.376 -0.134 30 20 GBED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783564683 BYLNQOPULRYESH-SFHVURJKSA-N 395.412 -0.571 30 20 GBED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786363924 KRHJIWZRHOLCGS-XUXIUFHCSA-N 386.474 -0.792 30 20 GBED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 1786978431 XUJWYTILCNHJMF-OBJOEFQTSA-N 386.412 -0.413 30 20 GBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1 1788656255 XGDOGMFIEKAZAB-FPXQBCRKSA-N 379.457 -0.970 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NCCC)C2 1793340369 UHYCNRHAUONHDD-GGXPGOJBSA-N 393.484 -0.079 30 20 GBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@H]1SC(=N)NC1=O 1796428060 IBUYYYAFHFOHAW-CVNCSBKSSA-N 380.470 -0.045 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)NC(C)=O)C3)C2)C1 1829673147 FWSYHUYJKPSOAB-KUHUBIRLSA-N 379.457 -0.066 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)F)C2)C1 1829765532 ZCDBCMNDHCTUMP-LIMHQNJXSA-N 387.383 -0.434 30 20 GBED C[C@H](CC(N)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830050147 KQEXWRDGXVOBMH-ACJLOTCBSA-N 380.445 -0.496 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COC(C)C)C2)C1 1831388122 PZSDUAWFNOOYDE-APWZRJJASA-N 382.457 -0.094 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnn3)C2)C1 1831396915 SXSQNQGOUGOHPZ-HNAYVOBHSA-N 388.424 -0.415 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834760916 MSKFWBIXGOFXQD-HLNVMSFQSA-N 394.428 -0.115 30 20 GBED Cc1noc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041656 ZROSBYMUBRIWRX-SFHVURJKSA-N 391.380 -0.551 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1840173684 LUMQHGKMSIYLRX-YJBOKZPZSA-N 383.445 -0.830 30 20 GBED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1840291739 CXPVQGSUPNAYBB-LJQANCHMSA-N 379.457 -0.228 30 20 GBED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1840295338 JJNSLKTWBRQLNL-LJQANCHMSA-N 395.456 -0.008 30 20 GBED C=CCOCCCC(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2 1841603741 KAUJBILHTCLKQE-UHFFFAOYSA-N 378.429 -0.276 30 20 GBED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847513931 UFRKGNHXLTXLCP-AVGNSLFASA-N 395.412 -0.838 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 11388436 DDGHBGMAAXFGFV-UHFFFAOYSA-N 390.308 -0.254 30 20 GBED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCCN2CCNC(=O)C2)c1 272850906 DFQDFLVAGYBXMY-UHFFFAOYSA-N 381.339 -0.354 30 20 GBED C=C[C@@H](CO)NC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 290841867 BVXQTGXSVASSIE-HNNXBMFYSA-N 382.486 -0.031 30 20 GBED CN1CCN(C)[C@@H](C/N=C(/O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 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C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)[C@H](CC(=O)O)C1 1602765758 IXGHTWHVHLTGDL-IJLUTSLNSA-N 387.462 -0.264 30 20 GBED Cc1nc(=NC(=O)[C@@H](C)n2cnc(C#N)n2)n(-c2ccc(-c3nn[nH]n3)cc2)[nH]1 1606058250 RPAOBJIYOZKJBG-SECBINFHSA-N 390.371 -0.159 30 20 GBED C#CCOCCC(=O)N1C[C@@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@H](C)C1 1757092294 XDUHLUVDXINUIF-FPCVCCKLSA-N 379.457 -0.198 30 20 GBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)[C@H]2SC(=N)NC2=O)C1 1778085066 QXOQIIDEBSILDH-NMFBSDBYSA-N 392.481 -0.064 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1778980145 RCSYAKDZUWUKHB-XTDOFWJNSA-N 381.473 -0.888 30 20 GBED CC(=O)NC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010765 DHBAIFVTKLDQPA-AUUYWEPGSA-N 393.440 -0.497 30 20 GBED CCN(CC)C[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782702251 IMZRKDNIUITQCL-DNVCBOLYSA-N 379.457 -0.118 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1783179733 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30 20 GBED C#CCNS(=O)(=O)N1CCN(CCc2c(C)nc3sccn3c2=O)CC1 795978096 VWJLTLLXGBKWPS-UHFFFAOYSA-N 395.510 -0.308 30 20 GBED C=CCOC[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)OC 797761333 FMXOCUAOZIWQMU-GFCCVEGCSA-N 382.394 -0.309 30 20 GBED C#CCN(C)CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 818615159 BXHASMMHUYJJFG-CYBMUJFWSA-N 380.470 -0.476 30 20 GBED C#CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)NCC(=O)OC)cc1 842227692 XPDKZAKLWOIJOH-OAHLLOKOSA-N 387.392 -0.083 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ccon1)[C@@H]1CCCO1 848963270 OGADQEHBNBBLCI-NEPJUHHUSA-N 377.444 -0.093 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 875600064 OVRVXVQNOHSSGR-KRWDZBQOSA-N 392.500 -0.456 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2cccc(NS(C)(=O)=O)c2)CC1 895915921 PBOYDIWNOVOJGA-UHFFFAOYSA-N 386.499 -0.357 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 949432481 SAZPVGKBQXETGD-DLTWYDFYSA-N 391.472 -0.084 30 20 GBED 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20 GBED Cc1nn(C)c(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784703467 PZRGGAZRRVPRKP-KKUMJFAQSA-N 388.424 -0.282 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](CC)NC(N)=O)C2 1792563902 DTCQQIDUJCMIOQ-SPJUVRACSA-N 391.472 -0.070 30 20 GBED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2 1793382967 MDJXOVZPQRHNHZ-JLUCKKNBSA-N 380.470 -0.073 30 20 GBED CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](S)C(C)C)C(=O)O 1793383256 OEXHYSHFNGBOMK-OGMFBOKVSA-N 387.502 -0.407 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](S)C(C)C)C2 1796316297 CZBKOWFVEBTFRS-ITGHMWBKSA-N 386.518 -0.023 30 20 GBED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1800488277 VLQGBVVSGYZHSI-NFFDBFGFSA-N 378.429 -0.660 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1 1800525406 ICJJEVKTIUVBBO-AQDIXCGQSA-N 380.445 -0.487 30 20 GBED 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C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1840411207 FCCIAEUVTRAHED-IBGZPJMESA-N 388.424 -0.275 30 20 GBED CS(=O)(=O)c1cncc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)c1 1848329581 PTBYTNOJTGRSAL-KBPBESRZSA-N 391.405 -0.612 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NCC(F)(F)F)cc1 29923908 JVACHLLGZPWLBR-UHFFFAOYSA-N 378.332 -0.369 30 20 GBED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCC#N)CC2)cc1 268801868 KNQSRRFNNVYPDA-UHFFFAOYSA-N 394.453 -0.052 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(C(N)=O)CCOCC2)cc1 298748146 MADVOKVGMLLZQP-UHFFFAOYSA-N 379.438 -0.390 30 20 GBED CS(=O)(=O)N1CCCN(/C(O)=N/[C@H]2CCCN(S(C)(=O)=O)C2)CC1 328823532 RCSQYKWDTYNTGX-LBPRGKRZSA-N 382.508 -0.708 30 20 GBED O=C(C1CCC1)N1CCN(CC/N=C(/O)CN2CCS(=O)(=O)CC2)CC1 328914749 JCUGEIDTGXPHQM-UHFFFAOYSA-N 386.518 -0.382 30 20 GBED C[C@H](/N=C(/O)C1CCCC1)C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 329924352 UXRXHZJHNLRFCK-NWANDNLSSA-N 387.502 -0.176 30 20 GBED CCNC(=O)N1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 332332598 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C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCc1nc(O)n[nH]1 487945290 MSHZRVOFLRGZFF-SNVBAGLBSA-N 378.414 -0.202 30 20 GBED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC(O)(CC#N)C2)c1 506369956 HKRGPDMWBZVHJP-UHFFFAOYSA-N 380.426 -0.846 30 20 GBED C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508479538 AYPTYAHXORAVGZ-CHWSQXEVSA-N 378.433 -0.665 30 20 GBED N#CCNC(=O)CNC(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 511900094 DATBYLTWIGXWQN-MRXNPFEDSA-N 386.456 -0.177 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 568306970 JFTFFRLIJAAYGI-XHSDSOJGSA-N 380.489 -0.213 30 20 GBED CNC(=O)NC1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 592806367 ORKWMQYGXULLOT-UHFFFAOYSA-N 379.442 -0.243 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C1 592849292 IDWAZHQXLQGYTN-UKPHBRMFSA-N 397.428 -0.173 30 20 GBED COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 609534518 JPCAJKGAANFDHG-HIFRSBDPSA-N 395.437 -0.032 30 20 GBED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 610704728 KRPQGIZXLVZULB-BBRMVZONSA-N 399.455 -0.488 30 20 GBED CS(=O)(=O)N1CCN(CCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 619362519 BQQFDFQDXIAEPY-QGZVFWFLSA-N 389.481 -0.066 30 20 GBED C#CCNC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CC1 725894110 AYDWBBAQGKMJHB-UHFFFAOYSA-N 395.485 -0.615 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(C)c2C(=O)O)CC1 736075736 FMJCLWZMDMOROK-UHFFFAOYSA-N 379.438 -0.251 30 20 GBED O=C(CN1CCN(c2ccccn2)CC1)NCCN/C(O)=C1\N=CC=CC1=O 743360020 IYEVUMDSSVKLBJ-VHEBQXMUSA-N 384.440 -0.154 30 20 GBED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)C(=O)OC 755865883 MHWWJYSKOCVGGN-STQMWFEESA-N 397.453 -0.066 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(Cn3cccc(C#N)c3=O)CC2)cn1C 758238875 KVWYIWMCPGUFCH-UHFFFAOYSA-N 376.442 -0.274 30 20 GBED Cn1cnn(CC(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1=O 781267002 PQSDPSLDGXSQMO-UHFFFAOYSA-N 381.352 -0.179 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(C)(=O)=O)ncc2Cl)CC1 825974460 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1023916266 RLMFHTQSWVXWSR-XZDPQHSOSA-N 377.445 -0.029 30 20 GBED C#CCOc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3OCCO[C@H]3C)C2)cc1 1024365045 FCKSGADSSDBTRH-LIRZEXBASA-N 388.420 -0.196 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2ncc(C(=O)OC)cn2)C[C@H]1O 1041384859 GKZMCJSBIXIQRC-YJNKXOJESA-N 376.413 -0.090 30 20 GBED CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 1092922050 MSPLGZBUFWPUEK-ZZVYKPCYSA-N 378.458 -0.098 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)C1 1118252600 CABLTCOKKSYBLH-HXUWFJFHSA-N 396.451 -0.144 30 20 GBED CCN(C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[C@H](C)CS(=O)(=O)CC 1261849520 JATCYXJWNWVKQF-HIFRSBDPSA-N 384.502 -0.143 30 20 GBED CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)Nc2ccc(OCC#N)cc2)C1 1322951446 JFOYIIIFGZNWDS-GFCCVEGCSA-N 380.426 -0.075 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCCn1cccn1 1327463308 VGSRPVQDFDYJJR-AWEZNQCLSA-N 382.428 -0.212 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)CC1 1328987421 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CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)S)C3)C2)CC1 1783895025 VQSYPWFBMKRZJB-KSSFIOAISA-N 398.529 -0.701 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnn(C)c3)C[C@@H]21 1784481009 CRAPAEGLJMIHCK-DKIMLUQUSA-N 388.468 -0.019 30 20 GBED CS(=O)(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786698559 JEUHIEQMOVLDCW-IHRRRGAJSA-N 383.470 -0.295 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3nc(C)no3)[C@H]2C1 1787049447 MMICMRGWPFOATJ-TUUVXOQKSA-N 390.440 -0.061 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1 1793419257 NNDSXMOLFVERDQ-PEBLQZBPSA-N 382.417 -0.515 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1NC(=O)NC1=O 1794204656 ADYZKIAGRUEWBO-PDWCTOEPSA-N 376.413 -0.739 30 20 GBED O=C1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)N1 1795287457 JMUXDVIYWLBFKJ-BZOVPYRMSA-N 388.424 -0.433 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2 1797703928 HXFNXPBJSMPPQH-FQLMCAECSA-N 395.456 -0.399 30 20 GBED C[C@@H]1CCc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)n[nH]c21 1800778339 LTTDWYQFKKRSMW-YXPOGWMNSA-N 386.408 -0.249 30 20 GBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1802021764 MBVNFRCDTZXOAK-DRXBFXEBSA-N 384.396 -0.966 30 20 GBED CC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812879356 DITAOHUDSSLLPW-CDHAZOANSA-N 386.408 -0.300 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[nH]n3)C2)C1 1831386592 AWDLQMMSJMTFPG-RDTXWAMCSA-N 376.413 -0.482 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831499666 XZNGEYLXVJJKRB-RDJZCZTQSA-N 384.454 -0.515 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834391337 VPQZZXICGQIGQJ-BEFAXECRSA-N 390.440 -0.472 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1836297977 OWXVJXMXGVYGGR-KSSFIOAISA-N 393.444 -0.226 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)c1 1838736111 JXZLCNCLHSEYIW-SFHVURJKSA-N 399.411 -0.752 30 20 GBED CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1839857237 UFHAVBBIRYBNOJ-WBVHZDCISA-N 387.502 -0.467 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840232924 KHHQKRJIQANNAG-OXJNMPFZSA-N 391.468 -0.228 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NNC(=O)C4)C3)C2)CCC1 1840814129 PXEKTZATUMGMNP-GOSISDBHSA-N 389.412 -0.987 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)NC(C)=O 1847259018 SQUNYFZHQKHUEU-BEWKBBBFSA-N 376.457 -0.039 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)NCC(=O)Nc2cc(C)ccc2OC)c1=O 10853046 ARQYRPGJOKJVLV-UHFFFAOYSA-N 399.407 -0.027 30 20 GBED N/C(=N\CC(=O)N1CCN(c2ccccc2)CC1)NCCCN1CCOCC1 264096003 MRIOMNHICAWOFG-UHFFFAOYSA-N 388.516 -0.038 30 20 GBED COC[C@](C)(C#N)NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 269565796 GVRDZDYDDXNJAZ-ZBEGNZNMSA-N 380.426 -0.268 30 20 GBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2sccc2C#N)C1=O 270729878 NAHIBLRUNWWURW-STQMWFEESA-N 396.494 -0.040 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCN3CCNC(=O)C3)C2=O)cc1 277272361 RSIPLFTYAZBVBD-MRXNPFEDSA-N 384.440 -0.610 30 20 GBED CCC(=O)N1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C1 349481595 NQIHBVQPHBBYGI-UHFFFAOYSA-N 386.455 -0.311 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2C[C@H]3[C@@H](O)CC[C@H]3C2)CC1 349488919 GEYBQGWZKBVDTH-XQQFMLRXSA-N 377.488 -0.615 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCc2c1cnn2C 349565236 JBBSEMVZOOORAQ-AAEUAGOBSA-N 389.503 -0.062 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCCS(=O)(=O)N1CC[C@H](O)C1 349595831 YCHJEIROZFITPZ-OLZOCXBDSA-N 397.544 -0.566 30 20 GBED CC(C)(CC#N)CNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 422492391 VSTYIPHYHMDMQL-UHFFFAOYSA-N 393.469 -0.029 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@H](N)[C@H]2C1 423540977 KHISVVRPAMMKHF-FXUDXRNXSA-N 397.483 -0.029 30 20 GBED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 440282129 ZONAUMQMXYGNGY-LLVKDONJSA-N 384.371 0.511 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(N)(=O)=O)nc1 490396911 ICKFKIGIPKPANM-NSHDSACASA-N 387.425 -0.258 30 20 GBED CN(C(=O)CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1)C1(C#N)CCCCC1 507937532 DHPVQUMCLGFKAC-JKSUJKDBSA-N 398.529 -0.553 30 20 GBED C[C@H]1CN(C(=O)Cn2cc(NC(=O)NCC(=O)NCC#N)cn2)C[C@H](C)O1 554259781 FZMBVGIXSYARPC-RYUDHWBXSA-N 377.405 -0.720 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)NC2CCOCC2)s1 594637603 GARXAMRKQNKUDN-UHFFFAOYSA-N 394.500 0.245 30 20 GBED COc1ccc(N2C[C@H](NS(=O)(=O)N3CCO[C@@H](C#N)C3)CC2=O)cc1 594823324 UOCLPRNSXWJZOM-DOMZBBRYSA-N 380.426 -0.141 30 20 GBED Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cn1C 726640966 DDWIHIZHTHZDMF-MRXNPFEDSA-N 399.473 -0.005 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)COc2ccc(-c3nn[nH]n3)cc2)CC1 735382366 ZLPHHBTWCSYGGI-UHFFFAOYSA-N 397.439 -0.471 30 20 GBED COC(=O)Cc1nc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n[nH]1 736112242 VFIMITJQBSBOGA-UHFFFAOYSA-N 392.397 -0.413 30 20 GBED C#CCN1CCN(C(=O)CN2CCN(CC(=O)NC3CCCCC3)CC2)CC1 748816883 LFFQRQKYZTYFCR-UHFFFAOYSA-N 389.544 -0.170 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1C1CC1 767884293 KPCLLYYJBGAZCE-UHFFFAOYSA-N 376.463 -0.033 30 20 GBED C#CCCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 775222096 LMWJPHMUVOXZGZ-UHFFFAOYSA-N 393.465 -0.147 30 20 GBED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 783413294 HDSGBZNJPJQHPV-LLVKDONJSA-N 384.389 -0.054 30 20 GBED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 785657823 NZHAQNUWJWOTMJ-CVEARBPZSA-N 394.472 -0.282 30 20 GBED C[C@H](OC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C(=O)N(C)CCC#N 786369376 XMZDLNRJXRUZJZ-PGKPSXLWSA-N 377.397 -0.157 30 20 GBED C#CCN1CCN(C(=O)Cn2cnc3ccc(S(C)(=O)=O)cc3c2=O)CC1 810013266 XBXQGBDTTXIEDF-UHFFFAOYSA-N 388.449 -0.423 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1 815372256 DOCIVSOLOLFYJQ-UHFFFAOYSA-N 394.457 -0.377 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@H]1CCCO1 817838841 SVVOFYHSKDJSKM-UKRRQHHQSA-N 387.396 -0.065 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2csc(N(C)C)n2)CC1 893390298 DGABWPKVSIGFPF-UHFFFAOYSA-N 386.503 -0.496 30 20 GBED C=CCn1cc(C(=O)N2CC3(C[C@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)CO3)C2)nn1 965767481 RJSXFUGPIJFDHV-UIWYYIFQSA-N 399.451 -0.013 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1043251778 JHSVMHJKATZTHM-TUVASFSCSA-N 379.457 -0.428 30 20 GBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1102089710 QSSKAHNDSMQAEC-OXHZDVMGSA-N 392.378 -0.343 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)NCC#Cc2ccccc2)CC1 1117008576 OFUXZCIEOGOTLG-UHFFFAOYSA-N 384.436 -0.650 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 1120449545 HTCHMINNQGKPAS-MRXNPFEDSA-N 392.500 -0.319 30 20 GBED C[C@@H]1CN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C2CC2)O1 1258384450 WYVBTAOXNCKHMS-ONWTXVAASA-N 376.413 -0.345 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CC[S@](=O)C[C@@H]1c1cnn(CC)c1)[C@@H]1CCCO1 1261154394 KOZVPSKFVSTFHO-XGRFXKQCSA-N 392.481 -0.168 30 20 GBED C=C(C)Cn1c(CN2CCCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1263342549 YKQMKKXQTBCNMM-OAHLLOKOSA-N 387.488 -0.013 30 20 GBED CNC(=O)CN1CCC(NC(=O)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 1321545797 BXTLLSMQNSFXCC-QGZVFWFLSA-N 383.452 -0.012 30 20 GBED CN1C[C@H](NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1=O 1323293799 BUENYKFHGLSHNB-GFCCVEGCSA-N 386.412 -0.581 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2nc(C)cc(C)n2)CC1 1323765959 PCTFRTJRBJXLDO-UHFFFAOYSA-N 395.485 -0.541 30 20 GBED C[C@@]1(c2ccc(CNC(=O)C(=O)N3CC[C@@](F)(C#N)C3)cc2)NC(=O)NC1=O 1324174072 OAXZORJAVONIAP-ZWKOTPCHSA-N 387.371 -0.178 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CCO1 1325708443 VPPKNMRPYGPWSJ-KBPBESRZSA-N 388.380 -0.667 30 20 GBED CN1CCN(Cc2cccc(CNC(=O)C(=O)N3CC[C@@](O)(CC#N)C3)c2)CC1 1326881061 ZHLBFZPOWJYBMC-NRFANRHFSA-N 399.495 -0.073 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCC(=O)N3CCCC3)C2=O)cc1 1329419022 OYRPONUAZRILNN-INIZCTEOSA-N 397.435 -0.092 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@](O)(CC#N)C3)CC2)c1C#N 1345974931 ZUOVJSMTZAHIBZ-GOSISDBHSA-N 385.428 -0.874 30 20 GBED CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cc1 1349195145 ZCGVSRIRXGKLNV-SJCJKPOMSA-N 394.453 -0.351 30 20 GBED Cc1nn(CC(=O)[C@@H](C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)c(=O)n1C 1515189215 UXTGGQHNOGBXIM-CQSZACIVSA-N 384.396 -0.060 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573285776 NHMVBKGHNGZEFY-DOMZBBRYSA-N 384.444 -0.131 30 20 GBED C=CCOCC(=O)N[C@@H](C)[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1573343777 SHTBTGYYMCKVDE-SMDDNHRTSA-N 389.416 -0.257 30 20 GBED C[C@@H](C#N)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCO2)C1 1573567706 RGELGSZSHRMEGF-APPDUMDISA-N 384.400 -0.202 30 20 GBED C#CCN1CCC[C@H]1C(=O)NCCN(C)c1cc(-c2nn[nH]n2)nc(CC)n1 1588351220 JRPHYEDQCMUQFB-AWEZNQCLSA-N 383.460 -0.131 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 1588352479 LYUQNVJSVLLVSF-KGLIPLIRSA-N 381.444 -0.209 30 20 GBED C#CCNC(=O)[C@@H](C)N1CCC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588353041 DTOWDSZRQYYTOZ-OLZOCXBDSA-N 384.444 -0.226 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc1 1588368270 SDKKRAYXLXBFMP-CQSZACIVSA-N 379.380 -0.303 30 20 GBED C=CCn1cc(C(=O)NC[C@@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)C(C)C)nn1 1588713803 UTSZLAZWMCLSPC-LLVKDONJSA-N 383.420 -0.277 30 20 GBED N#CCNC(=O)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O 1592678089 OUELDPNLXPNCJQ-ZDUSSCGKSA-N 397.399 -0.699 30 20 GBED CN(C)C(=O)Cn1cnc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)n1 1604668525 SZXDSPBBHKJMCA-CYBMUJFWSA-N 394.399 -0.133 30 20 GBED CS(=O)(=O)N1CC[C@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1636615896 SKHMIVATSNOOPK-AWEZNQCLSA-N 378.458 -0.181 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1779311640 WVYLFEWKXOPPTF-IDHHARJASA-N 397.472 -0.442 30 20 GBED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1 1781317424 MTGGOCMGDMPUNJ-FQEVSTJZSA-N 394.468 -0.476 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)[nH]3)C[C@@H]21 1784484925 FVUOZSZIVTYYGK-OSFYFWSMSA-N 376.413 -0.253 30 20 GBED CN(C)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1786480574 VTEJQEOPDLBMFK-MQUULEJCSA-N 379.505 -0.001 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C3)[C@H]2C1 1790856329 IHEYLBJTKSGIQD-QMHWVQJVSA-N 379.457 -0.307 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnccn3)C[C@@H]21 1791078166 WCAIVSLPMOKSNO-BPUTZDHNSA-N 386.408 -0.523 30 20 GBED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(N)=O)[C@H]3C2)cc1 1792278148 HRABIBRAPISRTN-ULQDDVLXSA-N 399.451 -0.251 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSCC(=O)O)C2 1793346689 HUUCNQGRWQAXNE-NFFDBFGFSA-N 384.454 -0.568 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)n2)CCC1 1796358616 CHBQYLZFCZUULO-GNXNZQSNSA-N 387.396 -0.215 30 20 GBED CC(C)[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801731992 APDOHEMBHAUAGD-IVSAIRAKSA-N 387.546 -0.134 30 20 GBED CC[C@@H](NC(N)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1817024772 QQZVUOBFEDCDLT-DTWKUNHWSA-N 393.425 -0.410 30 20 GBED NC(=O)[C@H](N)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1826937684 JIJRVVWNECBKTI-HUUCEWRRSA-N 392.456 -0.713 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[nH]n3)CCO2)C1 1831758280 KAPDXAPWMJJULP-KSSFIOAISA-N 376.413 -0.482 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(C)[nH]3)CCO2)C1 1831847898 NAEUNFTVQNNJLV-AUUYWEPGSA-N 390.440 -0.174 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1832461458 WWTOVMZHKDWRAZ-SFHVURJKSA-N 399.513 -0.112 30 20 GBED CC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1834716059 KDRLAWZITWUKGW-HXUWFJFHSA-N 392.452 -0.270 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NS(=O)(=O)CC)C2 1841598389 HEJWNZPUEUJDOU-KBPBESRZSA-N 385.486 -0.444 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)N2CCN(C)CC2)C1 1845096829 SLLOENLXVJWEQM-IRXDYDNUSA-N 376.501 -0.136 30 20 GBED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O 1847803818 VLINEDYVRZLCBG-KBPBESRZSA-N 378.429 -0.277 30 20 GBED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(CCO)CCO 1847808243 MTFWHCDJNHVZGJ-IRXDYDNUSA-N 383.489 -0.542 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCCN2CCN(C)CC2)c1 71824277 QDLDRNIRWQEVOD-UHFFFAOYSA-N 378.498 -0.035 30 20 GBED CNS(=O)(=O)CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 267704125 QQUAUVXQZWEAKG-UHFFFAOYSA-N 376.442 -0.076 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 286333126 AQUBYQGRGZSHCM-KRWDZBQOSA-N 391.516 -0.482 30 20 GBED O=C(Cn1cc(N=C(O)CCN2CCCS2(=O)=O)cn1)N1CCOCC1 329733728 QXWGZYYHURIDLW-UHFFFAOYSA-N 385.446 -0.245 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(/C(O)=N/[C@H]3CCSC3)CC2)CC1 329769712 IAVLXNOZNUANPT-ZDUSSCGKSA-N 377.536 -0.484 30 20 GBED CN1CN(S(=O)(=O)CCCCS(=O)(=O)N[C@]2(C#N)CC2(C)C)CC1=O 349605878 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20 GBED C=CCNc1nnc(S(=O)(=O)[C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)s1 555468864 FZRCPRAEEGHONK-VHSXEESVSA-N 387.487 0.022 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCS(=O)(=O)C2)c1 568148846 ORBDEJDOJKADIL-ZDUSSCGKSA-N 385.467 -0.222 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@]1(O)CN2CCC1CC2 577123198 DYXKORUSBYQZRV-UGSOOPFHSA-N 392.481 -0.202 30 20 GBED CN(c1ccc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)cc1)S(C)(=O)=O 609514608 PAVNYGSMRGEUFY-UHFFFAOYSA-N 377.426 -0.036 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2COCCN2)cc1 626880187 XTRNROBHDHSENJ-CQSZACIVSA-N 396.469 -0.464 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cc(NS(C)(=O)=O)ccc1OC 646951009 TXCXTDDFWHJRRW-GFCCVEGCSA-N 383.426 -0.104 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CN2CCN(c3ccccn3)CC2)CC1 743337319 PPMSAFXTYHSDOO-UHFFFAOYSA-N 384.484 -0.903 30 20 GBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O)[C@@H]1CCCO1 808158750 AGTMPJUOBOOBIP-BBWFWOEESA-N 384.436 -0.014 30 20 GBED CS(=O)(=O)CCOCCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 810438618 KDVURXYQSNCVEP-UHFFFAOYSA-N 389.455 -0.986 30 20 GBED N#CCN1CCC(CNC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 822810136 CLCHAFVCGQYDPA-UHFFFAOYSA-N 382.428 -0.052 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CNC[C@H]2C#N)cc1 834506777 VYMPZFIWYYEXFJ-IUODEOHRSA-N 379.442 -0.507 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)NN=Cc2cn(CC(=O)OC)nn2)cc1 834966037 XNYGFLUIJXSAJR-UHFFFAOYSA-N 395.397 -0.060 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCNC3=O)CC1 850361047 RWMJIVHAYNZJDT-UHFFFAOYSA-N 382.420 -0.101 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](OC)C1 946837842 JIIKBVWMXVQBFA-CRNXPOROSA-N 390.440 -0.283 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1nc[nH]n1 960195991 OFXBTHBUQZVNBA-CBBWQLFWSA-N 375.429 -0.233 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ncnn1 960429623 FILLUJFVXPBDHI-AYDFFVQHSA-N 376.417 -0.908 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2cnn(C)c2C)C1 965660085 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VAKYVSUPNUYYJH-CTWPCTMYSA-N 390.392 -0.752 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)CCSC)C2)C1 1783962112 DAPFFIBUAGGMPO-IIDMSEBBSA-N 384.498 -0.031 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1 1786808604 NIRVRDISDNEMRF-RFGFWPKPSA-N 382.465 -0.750 30 20 GBED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787094383 SUNNKBCFRUKDSY-AVGNSLFASA-N 384.387 -0.136 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nccn3)[C@H]2C1 1789970243 MJEBRPAAWYRNBE-YHUYYLMFSA-N 391.472 -0.169 30 20 GBED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCS3(=O)=O)[C@H]2C1 1790748746 APZFBUBIXUMBMD-PEDHHIEDSA-N 390.527 -0.138 30 20 GBED CSCC[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077923 MQNSKDMHMPFPDX-FQUUOJAGSA-N 384.454 -0.832 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1793355403 IAQYIASRYKWGDG-MCYUEQNJSA-N 392.412 -0.318 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2 1793822254 MIPLHJHCKDANEY-HGKCTWBKSA-N 396.557 -0.257 30 20 GBED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc3n(n2)CCNC3=O)C1 1794970220 AHCJOXUTFGTRLX-XOIINTDNSA-N 399.451 -0.204 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1 1795853436 LIYVIPNFFUBTEK-HGTKMLMNSA-N 378.433 -0.331 30 20 GBED Cc1nc2ccccn2c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1796838434 HQVHKYAYBONMOG-ZSBFGKGUSA-N 396.403 -0.066 30 20 GBED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ncon1 1798351344 NAUSCOUBPZCXTA-DWSRBNMOSA-N 393.400 -0.198 30 20 GBED Cc1nnc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)o1 1831213656 YSODOSSZDQNZAU-IBGZPJMESA-N 388.424 -0.210 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1831425936 XIUSWOZMHLQJIX-BEFAXECRSA-N 392.456 0.000 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ncc[nH]2)CCO3)c1 1833720914 KNJSKMQNOPEGFH-GOSISDBHSA-N 384.396 -0.007 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)CC1 1835344473 HDFOFEIMIFSTKK-KRWDZBQOSA-N 376.369 -0.246 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1835364349 RKAPODUWHPGNIE-KDOFPFPSSA-N 378.429 -0.727 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)C(O)O)CC2)CC1 1836632241 LPPQZJQNBYIWAY-UHFFFAOYSA-N 398.456 -0.195 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)COCC)C2)C1 1839174772 WFADRMWWQWAZLY-IBGZPJMESA-N 398.456 -0.011 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840842038 JINIZWYORATUIR-QGZVFWFLSA-N 391.384 -0.199 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1840844863 PKSBLUFNMLJPAQ-OALUTQOASA-N 396.440 -0.528 30 20 GBED C#CC(=O)N1CCCC12CN(C(=O)CCOCCOCCOCCOC)C2 1845959861 OTBUHQFDOMCLBR-UHFFFAOYSA-N 382.457 -0.091 30 20 GBED Cn1c(N2CCC(C(=O)Nc3nncs3)CC2)c(C#N)c(=O)n(C)c1=O 52469723 LNNKHMJNVSWFBQ-UHFFFAOYSA-N 375.414 -0.338 30 20 GBED C/N=C(/NC[C@@H]1CCCN1C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 153585946 UDXJJQJDIHVILD-HNNXBMFYSA-N 384.506 -0.208 30 20 GBED Cc1cc(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)ccc1C#N 277812283 IACOPDHNVOOJAJ-UHFFFAOYSA-N 376.438 -0.022 30 20 GBED N#Cc1ccc(CS(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 288492670 YPNVTDVWYFGHAE-HOTGVXAUSA-N 399.494 -0.525 30 20 GBED C#CCN(Cc1ccccc1)C(=O)CNS(=O)(=O)[C@@H]1CCS(=O)(=O)C1 290933543 PEDYTIMVHYQPIC-OAHLLOKOSA-N 384.479 -0.245 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCNC(=O)c2cccc(OC)c2)C1=O 299488631 FKJGBAGGSQOTNW-UHFFFAOYSA-N 388.380 -0.482 30 20 GBED CCc1nn(C)cc1N=C(O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 329137047 DBSXGPPMOJVUAB-UHFFFAOYSA-N 376.417 -0.179 30 20 GBED CCN(c1cnn(C)c1)S(=O)(=O)CCCS(=O)(=O)N1CC(C#N)C1 349496864 HJJZIJUETDYNNJ-UHFFFAOYSA-N 375.476 -0.249 30 20 GBED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(CC)C[C@@H](C)C#N 409544446 SFGCFTVSLQMGNY-STQMWFEESA-N 394.519 -0.662 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)c1ncccc1O 490371051 TVAGGQXTNMQMBJ-LBPRGKRZSA-N 381.396 -0.084 30 20 GBED CCOC(=O)c1cc(S(=O)(=O)NCC(=O)NCC#N)cc([N+](=O)[O-])c1C 511037158 YEPUICBOYIUUMG-UHFFFAOYSA-N 384.370 -0.002 30 20 GBED C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NCC(=O)NCC#N)CC2)C1 511916309 LVWAOAWFBXNEHP-GASCZTMLSA-N 378.477 -0.542 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)C[S@@](C)=O)CC2)c1C#N 519786269 WDKPVGBRUHARSS-RPHGYIDUSA-N 380.474 -0.868 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCn3ncnc3C2)cc1 521271138 CQRPNKGCWCPCFY-NSHDSACASA-N 396.454 -0.327 30 20 GBED COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1 521593951 RIDOTSSPWHOLAU-CQSZACIVSA-N 388.380 -0.331 30 20 GBED CNc1ccc(C#N)cc1NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 557065050 IXNXYHTYHHRTBB-UHFFFAOYSA-N 376.398 -0.056 30 20 GBED COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 569652256 VQZZVCGTENPISV-AWEZNQCLSA-N 395.485 -0.199 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 609457625 FTDJRWNRFXPHJU-HNNXBMFYSA-N 384.440 -0.062 30 20 GBED Cn1c(=O)n(C)c2cc(S(=O)(=O)NCC#CCO)c(Br)cc21 632516680 QRDOKFBMFPNONW-UHFFFAOYSA-N 388.243 -0.087 30 20 GBED C=CCN(C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[C@@H](C)COC 658374317 MPDGBSTWGLZTBG-AWEZNQCLSA-N 393.444 -0.270 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCNC(=O)OC(C)(C)C 786717039 DMQUVEFISIYYGW-UHFFFAOYSA-N 393.448 -0.105 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1)[C@@H]1CCCO1 787197089 JJPYWWGXSWQOOZ-SJORKVTESA-N 385.468 -0.253 30 20 GBED CCOC(=O)CON=C(C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1cc[nH]n1 789997245 FAVRHLRCCLHPFC-YPMHNXCESA-N 395.416 -0.555 30 20 GBED COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 802411775 YLCIGMMTYUKUPU-OAHLLOKOSA-N 395.423 -0.390 30 20 GBED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)OCC(=O)Nc1sccc1C#N 803863155 AJGNPWUGUGTTER-UHFFFAOYSA-N 396.406 -0.030 30 20 GBED Cn1cnn(CCC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)c1=O 816126877 XOUBKUHKZVBJIK-UHFFFAOYSA-N 380.342 -0.743 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=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 831574260 BZDCAFZKOZHWFU-OZWFIRCYSA-N 375.494 -0.008 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)c1=O 844761155 DDOVTZVMKDRWSB-LSDHHAIUSA-N 390.440 -0.368 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H](N4CCOC4=O)C3)CC2)nc1 850607946 WBQKKWBTSKJAPS-OAHLLOKOSA-N 398.423 -0.345 30 20 GBED C#CCN(CC(=O)N1CCN(CC(=O)NCCOC)CC1)C(=O)OC(C)(C)C 854317717 UWCHMEWZTHDCSN-UHFFFAOYSA-N 396.488 -0.237 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc(Cl)nc2)CC1 872514886 CGSBIHZOBQZOOE-UHFFFAOYSA-N 392.890 -0.350 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC1 892269633 CUYVQCSXMSFISZ-HZPDHXFCSA-N 385.534 -0.098 30 20 GBED N#Cc1cccnc1NCCNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 917159101 BBRIORFAPZCOGM-UONOGXRCSA-N 391.453 -0.483 30 20 GBED C=CCCOCC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@@H]1O 1049007510 KUVDKSRPRITQTB-IQWQSGHPSA-N 382.457 -0.339 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 1057725667 LOOAIACPCFIYCG-TWMKSMIVSA-N 383.489 -0.376 30 20 GBED C=CCOCC(=O)N1CCC(CO)(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1080939101 IGBBZKUMPQKGNY-YQQAZPJKSA-N 382.457 -0.290 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc2nnc(O)n2c1 1109834000 FJFLBRQGJHLTSL-ATGSNQNLSA-N 382.424 -0.092 30 20 GBED CNS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 1117384400 XMIQNAAUBTVVTF-UHFFFAOYSA-N 392.485 -0.222 30 20 GBED N#CCN1CCC(NC(=O)C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 1117490353 BYVFHGAGDKZBKV-DARAHFNDSA-N 399.451 -0.986 30 20 GBED C=CCN(CC=C)C(=O)CN1C[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)[C@H](OC)C1 1212295409 MQYUNKYNVDJCRQ-QBPKDAKJSA-N 392.500 -0.083 30 20 GBED C=CCN(C(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)[C@H](C)COC 1261624428 VLULGOAPQIKURJ-ZIAGYGMSSA-N 375.491 -0.176 30 20 GBED C=C(C)COCCNC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 1324303228 GYMWZBWMGZCKPW-UHFFFAOYSA-N 393.444 -0.225 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCC[C@@H]1CN1CCCC1 1326596065 IGEDGDIFLULFOJ-UVTIVQHFSA-N 389.456 -0.284 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCS(=O)(=O)c1ccccc1 1327387520 LMIKBDHORVWJCK-UHFFFAOYSA-N 388.467 -0.707 30 20 GBED CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1330435643 IVJUUSJJMCUSLK-INIZCTEOSA-N 377.489 -0.246 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC(NS(=O)(=O)CCC)CC2)nn1 1332058178 MGCUIIYZEDLMQZ-UHFFFAOYSA-N 398.489 -0.599 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](C)NC(=O)c2ccccc2)CC1 1332383058 DBFPUNRYGJHYCU-OAHLLOKOSA-N 392.481 -0.193 30 20 GBED C[C@H](C#N)C(=O)N1CCN(CCN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1573570902 WIELJHYVGMFCNB-GFCCVEGCSA-N 385.432 -0.429 30 20 GBED C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)NC)[C@@H]1CCS(=O)(=O)C1 1574674360 XWLXECVECSPSEI-UONOGXRCSA-N 396.517 -0.349 30 20 GBED C#CCN(C(=O)c1nc[nH]n1)C1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 1588349031 ZEKSQLFAHHIHFE-UHFFFAOYSA-N 379.388 -0.481 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1c1ncc(-c2nn[nH]n2)cc1F 1588357476 MKOSKDBGEWIOJX-DGCLKSJQSA-N 389.391 -0.240 30 20 GBED C#C[C@@H]1COCCN1C(=O)C(=O)N1CCN(c2ccc(C(=O)O)s2)CC1 1588383470 AQIWWIBBKCOTQV-GFCCVEGCSA-N 377.422 -0.045 30 20 GBED C#CCN(C(=O)N[C@@H]1CCCCN(CC(=O)O)C1=O)[C@@H]1CCS(=O)(=O)C1 1588396771 ZQJKOIOYIZSBRR-CHWSQXEVSA-N 385.442 -0.716 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)N1CCO[C@H]([C@H](C)N)C1 1588635098 DBMLTKOPEIESBR-BBRMVZONSA-N 399.455 -0.044 30 20 GBED C=CCOc1cccnc1C(=O)N1CC(n2cc(-c3nn[nH]n3)c(O)nc2=O)C1 1588689069 XITFQHNZPAJFAL-UHFFFAOYSA-N 396.367 -0.214 30 20 GBED C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CCO[C@@H](CCF)C1 1588709829 WLQFUTQJEDNGRE-NSHDSACASA-N 389.399 -0.151 30 20 GBED C=CCn1cc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[nH]n3)c(C)n2)nn1 1588713769 SQMRHDCLZDLIMY-NSHDSACASA-N 384.404 -0.450 30 20 GBED CCOC(=O)CON=C(C(=O)N1C[C@H]2COCC[C@@]2(C(=O)O)C1)c1cc[nH]n1 1596629781 VJDYRBCQBOTZNI-APPDUMDISA-N 394.384 -0.357 30 20 GBED CN1CCC(N(CCO)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1631400033 RKPZKSCFKTZBIX-UHFFFAOYSA-N 380.470 -0.248 30 20 GBED CC(C)NC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1692563839 OFDNMRPMVIGTIP-OLZOCXBDSA-N 396.473 -0.566 30 20 GBED CC(=O)N1CCN(CC(=O)N2CC[C@]3(CN(C(=O)CCC#N)CCO3)C2)CC1 1778353725 FYWABPJLFNRXGW-LJQANCHMSA-N 391.472 -0.716 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778897026 WGBGSINCUHAFOA-AWEZNQCLSA-N 392.286 -0.990 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)c1 1782665329 BMQUZXKGVBQEOY-IBGZPJMESA-N 396.407 -0.413 30 20 GBED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1783887025 RZDMILMLDSPDMA-HWPZZCPQSA-N 380.426 -0.063 30 20 GBED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1783887945 YARGWLNSWGPBQU-GTNSWQLSSA-N 378.454 -0.058 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nsnc1NC)C2 1793341445 RALVVZKKFAUDOY-RVMXOQNASA-N 393.469 -0.179 30 20 GBED CN1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)C1 1797818196 KIQSGTODCYBPCD-XXRDCFQUSA-N 394.472 -0.333 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(C)C)CCO2)C1 1830010869 XRQKXGLRLROYKJ-VQIMIIECSA-N 382.457 -0.094 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccno3)CCO2)C1 1834146371 RGIPXZRCYRKHEG-RDTXWAMCSA-N 377.397 -0.217 30 20 GBED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cc(O)n[nH]3)CC2)CC1 1834772462 GPPMWPJIGCTOBU-UHFFFAOYSA-N 389.412 -0.612 30 20 GBED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)CC1 1835362080 CYFGCWLBBAENNJ-KRWDZBQOSA-N 379.413 -0.300 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)Cc1cscn1)CCO2 1836474738 ALQDCUSNPOPWRI-WMLDXEAASA-N 393.469 -0.617 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)C1 1837355746 HVCLNFZDLIMAIB-SFHVURJKSA-N 376.413 -0.715 30 20 GBED CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)CC1 1839760447 ZDPGGOTXFWQRBN-QGZVFWFLSA-N 379.413 -0.300 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1840166245 ZEXZYTUNEKBZHD-XUJVJEKNSA-N 384.462 -0.991 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1840173682 LUMQHGKMSIYLRX-MAUKXSAKSA-N 383.445 -0.830 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840275979 SPNSEPYTFSIJKE-ZOJXTTQQSA-N 394.424 -0.918 30 20 GBED CN1CCN(C(=O)CCNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 46226711 OUZUPWKVHONSRZ-UHFFFAOYSA-N 385.472 -0.051 30 20 GBED CCC/N=C(/NC[C@H]1CCS(=O)(=O)C1)N1CCN(c2cnn(C)c2)C(=O)C1 262402930 NZADNQIFFBTCTE-CQSZACIVSA-N 396.517 -0.141 30 20 GBED Cc1ccc(S(=O)(=O)NCC/N=C(\N)NCCCN2CCOCC2)cc1 264118496 QOUIQRPKAJGZEG-UHFFFAOYSA-N 383.518 -0.100 30 20 GBED C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(C(=O)C(=O)OCC)n(C)c1 287850760 OQYNWKBORRGCBH-UHFFFAOYSA-N 392.455 -0.350 30 20 GBED C#CCOc1cccc(NC(=O)CNS(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 290784160 LXMZJRCWSOKXKP-AWEZNQCLSA-N 386.451 -0.256 30 20 GBED CC1(C#N)CN(S(=O)(=O)CCCS(=O)(=O)N=c2cc[nH]cc2F)C1 349470457 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C[C@@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@@H](C)N1CCOCC1 571510381 XRRUDHOAHUZJLV-CHWSQXEVSA-N 391.476 -0.520 30 20 GBED C=CCN(C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)[C@H]1CCS(=O)(=O)C1 608116124 VUUNAPCLORRGCR-SIJPQNPESA-N 382.438 -0.650 30 20 GBED CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cc(C#N)ccc1OC 609955242 OQRFVUAHPWWNCP-ZDUSSCGKSA-N 387.396 -0.641 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](NS(C)(=O)=O)C2)CC1 611266323 FXMYNDPWRNGCSZ-CVEARBPZSA-N 385.534 -0.308 30 20 GBED C=C[C@H](CO)NCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 662164002 SNNVJTVDSSGSMR-RHSMWYFYSA-N 375.425 -0.366 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(CC#N)CC(=O)O)c1 737089058 XSIWCQLUNJJUJC-UHFFFAOYSA-N 384.414 -0.684 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)N3C)CC1 749980327 GLVFHOGBPLOWRF-AWEZNQCLSA-N 383.452 -0.029 30 20 GBED CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 774359361 HSQNYDQRJODRRY-UHFFFAOYSA-N 391.403 -0.101 30 20 GBED CN(C)c1noc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 793852841 RPDQHDHOTKWKJZ-UHFFFAOYSA-N 378.414 -0.119 30 20 GBED CC[C@H](NC(=O)C(=O)NCCNc1ccc(C#N)cn1)C(=O)N1CCOCC1 807776479 ARKDEKFECLJVLK-AWEZNQCLSA-N 388.428 -0.765 30 20 GBED C#C[C@H](NC(=O)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CCCO1 809312005 KEOQPHQMBBHPJM-QJPTWQEYSA-N 375.347 -0.095 30 20 GBED C=C[C@@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 814547084 RSEXXJCSKJZWQS-CQSZACIVSA-N 386.401 -0.251 30 20 GBED Cc1cc(C)c(C(=O)O)cc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 814883358 KZJIJMIJPVWAHX-UHFFFAOYSA-N 394.409 -0.289 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)OC[C@H]2C1 848958938 NMFYDCKTFQCSJS-NWDGAFQWSA-N 394.475 -0.984 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)OC[C@@H]2C1 848958998 RMPBYIKTWLXKTA-LBPRGKRZSA-N 394.475 -0.982 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cn(C)nc2OC)[C@H](OC)C1 944395977 BXYUUGAMPGTLJB-REBRKWNGSA-N 378.429 -0.025 30 20 GBED 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CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839861589 GUMKJKZZKPJQOQ-GOSISDBHSA-N 378.429 -0.727 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)S)CCO2)C1 1840161044 CIZOSFQHSQIBJZ-PBFPGSCMSA-N 385.486 -0.548 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1840840852 PVSBMZHBEUKEDP-KXBFYZLASA-N 377.441 -0.618 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2 1844237395 PJEPQNRNQAAUGN-LSDHHAIUSA-N 381.473 -0.587 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 105265672 LOVLMSLCNUARMP-HUUCEWRRSA-N 376.457 -0.392 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCS(=O)(=O)CC[C@@H]1C)c1cc[nH]n1 278371382 ROLNEBRHFJGKJW-KEVMXDQOSA-N 386.430 -0.271 30 20 GBED C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 297869687 UGBSIJHWWTXVEB-IMJJTQAJSA-N 388.424 -0.069 30 20 GBED C/N=C(/O)[C@@H]1CCCCN1CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 329084761 FYHDHGOHECYFIF-GJZGRUSLSA-N 386.518 -0.242 30 20 GBED CN1CCN(C(=O)CC/N=C(/O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 330455330 DPADYQQNPNUVBX-AWEZNQCLSA-N 389.522 -0.674 30 20 GBED Cn1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CCN(CC#N)CC2)n1 349525924 SGIFEKRFMMQLNS-UHFFFAOYSA-N 390.491 -0.977 30 20 GBED C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)CC#N)c2nccn21 349536664 NZJWDIDQFIXMEF-NEPJUHHUSA-N 375.476 -0.016 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H](C)O)ccc1C#N 349599901 HKWYNTZAVDHTBW-JTQLQIEISA-N 376.460 -0.306 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCc2c[nH]nc2C1 349622189 VHHQPBCVQPIELR-DGCLKSJQSA-N 389.503 -0.250 30 20 GBED C[C@H]1[C@@H](C)N(S(=O)(=O)CCCCS(=O)(=O)N(C)CC#N)CC[S@@]1=O 349622316 QYQQTJUAOKMZRB-IFMYKAFSSA-N 399.560 -0.277 30 20 GBED CCN(CCC#N)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 409517201 ZCHDSXYCNNHXTH-CQSZACIVSA-N 394.519 -0.407 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CCO1 410131988 SKIAFAADGRMJHP-IAGOWNOFSA-N 380.470 -0.536 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 430401282 BPNYQFSYUUZGEB-WMZOPIPTSA-N 392.500 -0.150 30 20 GBED C=CCNC(=O)NC(=O)CN(C)CCOc1ccc(S(N)(=O)=O)cc1F 452011415 LFDSNTFAPFJJSH-UHFFFAOYSA-N 388.421 -0.205 30 20 GBED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC(O)(CC#N)C1 473365443 AZYUQOSGHOOLQB-UHFFFAOYSA-N 395.437 -0.183 30 20 GBED COCCN(CC(=O)OC)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 496831836 PGDGCQWFLRQWGM-LBPRGKRZSA-N 383.426 -0.127 30 20 GBED COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 509352423 YWNGKCYUJWOORE-LSDHHAIUSA-N 389.522 -0.376 30 20 GBED N#Cc1cc(Oc2ccc(NC(=O)C(=O)NCC(=O)NCCO)cc2)ccn1 517206527 ULGXNWZUJSDDNF-UHFFFAOYSA-N 383.364 -0.091 30 20 GBED C[C@H](C#N)CNS(=O)(=O)c1ccc(S(=O)(=O)N=c2nc[nH]n2C)cc1 548117174 YUGLLBGRJWHELA-SNVBAGLBSA-N 384.443 -0.524 30 20 GBED C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOCC1 555005403 NMUOGGAMDKKVRS-GFCCVEGCSA-N 380.426 -0.800 30 20 GBED COC(=O)[C@@H](C)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 576052382 JGAVYAHMEMLCSP-SNVBAGLBSA-N 375.428 -0.330 30 20 GBED CCc1nc(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)n[nH]1 582974656 CBCQMAFCHAJMRP-UHFFFAOYSA-N 384.443 -0.353 30 20 GBED CN(CC(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCS(=O)(=O)C1 604195855 VWEZTEFJNUNRNS-OAHLLOKOSA-N 377.470 -0.279 30 20 GBED NC(=O)[C@H]1CCC[C@@H](C(=O)NCC#CCNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)C1 682536966 ORRVAQWSJRHOMV-SYMSYNOKSA-N 390.484 -0.194 30 20 GBED CNS(=O)(=O)[C@H]1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1 749793348 QHXPVCPEBJMMOF-HNNXBMFYSA-N 391.453 -0.097 30 20 GBED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn(C)c2)c1=O 758050446 SFELDQBGJWHNBX-UHFFFAOYSA-N 399.501 -0.645 30 20 GBED CC(C)[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(N)=O 769773772 BKSVEODARKLAKI-CYBMUJFWSA-N 382.398 -0.401 30 20 GBED C[C@@H](CC(=O)N(C)CC(C)(CO)CO)/N=C1/NS(=O)(=O)c2ccccc21 780995048 ZQMWXHGXDHBOIV-LBPRGKRZSA-N 383.470 -0.047 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 784926263 SFDKAEQBMUQYKM-HZPDHXFCSA-N 399.451 -0.058 30 20 GBED C[C@H](CC(=O)N[C@]1(C(=O)O)CCOC1)/N=C1/NS(=O)(=O)c2ccccc21 827226412 MQALRLBJKJGBQV-QLJPJBMISA-N 381.410 -0.136 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3C)CC1 831564811 IILDJQOAOVGTLN-UHFFFAOYSA-N 390.465 -0.179 30 20 GBED N#C[C@@H]1CNC[C@@H]1NC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 834490049 QZNVVANJDQKONB-KCXAZCMYSA-N 382.424 -0.236 30 20 GBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1cc(Br)nn1C 848966973 KBQGIQPWQWFIMD-UHFFFAOYSA-N 399.292 -0.133 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCn2cc[nH]c(=O)c2=O)C[C@H]1C 940378929 CVNMEAZPZHRVJH-TUVASFSCSA-N 390.440 -0.519 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cnnc2O)C[C@@H]1O 964193028 LBESUNMSQHAVJP-XFMPKHEZSA-N 379.417 -0.957 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@@H]1O 964615587 ZXPRNALQGPGRHD-RZFFKMDDSA-N 376.413 -0.937 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@]2(C)C1 993459534 XJWFDTOHKZLVGA-PXWIGAEESA-N 390.440 -0.564 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1008390171 PCJVDCWEUBBITP-LJPSSGMGSA-N 390.440 -0.373 30 20 GBED C#CCNC(=O)CC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1040415593 OGOMUVJPUJYCPE-OJFPTFHUSA-N 377.441 -0.979 30 20 GBED C=CCn1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 1040428269 NQTUCRVQFUYUAG-VSSKYZSCSA-N 387.440 -0.419 30 20 GBED C#CCNC(=O)CC(=O)NC1(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCOCC1 1070082805 LYBBDIVXZNRJJF-KFWWJZLASA-N 377.441 -0.525 30 20 GBED N#CCCN(CC1CC1)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1116727253 HUWFFXCZAGVEGW-UHFFFAOYSA-N 388.428 -0.167 30 20 GBED C#CCCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2OCCO[C@H]2C)n1 1130216467 YANUCXWVSSEALY-YXWQFLTLSA-N 377.445 -0.290 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC2(CS(C)(=O)=O)CC2)C[C@H]1O 1193076610 VCCITRLOSKHYEG-FPCVCCKLSA-N 386.514 -0.046 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1)[C@@H]1CCCO1 1256966778 FYYGFQJMINJDBK-HOTGVXAUSA-N 393.465 -0.313 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N2CCOCC2)nc1C 1320014684 SUULPUUVXXUVBD-UHFFFAOYSA-N 396.469 -0.118 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O 1328844805 SJHRHUKUWMLUBX-CYBMUJFWSA-N 397.428 -0.236 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]([C@H]3C[C@H](N)CCO3)C2)C1=O 1328845974 HLNFINYLJXWEHO-BFHYXJOUSA-N 378.429 -0.292 30 20 GBED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1CCCN2CCC[C@@H]2C1 1330022559 WHXMUMPNRQPRSX-CQSZACIVSA-N 378.520 -0.291 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCN(C)C(C)(C)C1 1336365808 WRIULFBALIGLRS-CQSZACIVSA-N 385.472 -0.062 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOC3=O)CC2)cc1 1543122561 VTWYMPLFOARNAT-UHFFFAOYSA-N 378.410 -0.157 30 20 GBED C#Cc1ccc(C(=O)NC[C@H](O)CN(C)C(=O)[C@@H](C)OCc2cnn[nH]2)cn1 1575022481 QCXUTIATLVIGRG-WBMJQRKESA-N 386.412 -0.665 30 20 GBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H](O)C2)nc1 1581871316 POONGCXHAYVIEE-TZMCWYRMSA-N 379.384 -0.169 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)c(C)n3)C[C@@H]2O)nc1 1588369939 CRPVCODVBJTXEU-CVEARBPZSA-N 390.407 -0.074 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3snc(C)c3-c3nn[nH]n3)C[C@@H]2O)cn1 1588370312 ZHVDNPJEYZYZKO-OLZOCXBDSA-N 396.436 -0.013 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2O)c1 1588379639 KHBOTHFJKSEQGE-GDBMZVCRSA-N 376.380 -0.383 30 20 GBED C=C[C@](C)(O)CC(=O)N1C[C@H]2C(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 1588499630 LEWUVCJQRCXOBC-LXIYXOSZSA-N 385.428 -0.044 30 20 GBED C=C[C@@H](COC)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588525156 CKDKQUVTNIEYBO-PWSUYJOCSA-N 380.430 -0.149 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2cnc(-c4nn[nH]n4)cn2)C3)nn1 1588713167 HDDZHHLOGDOEGL-MRCXROJRSA-N 379.388 -0.559 30 20 GBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN(c4ccc(-c5nn[nH]n5)nc4)C[C@@H]32)nn1 1588713909 YTNAYCHQGHHAGQ-JYAVWHMHSA-N 378.400 -0.096 30 20 GBED C[C@H](NC(=O)CSc1nc(N)c(C#N)cc1-c1nn[nH]n1)C(=O)N(C)C 1589926332 LTUVOSWHQXNANK-ZETCQYMHSA-N 375.418 -0.599 30 20 GBED CNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)O)CC1 1598643098 OMEJLQUIDVYRMC-UHFFFAOYSA-N 380.426 -0.301 30 20 GBED C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 1602882203 BXNHITCWFYVGQK-JTQLQIEISA-N 384.404 -0.089 30 20 GBED N#Cc1cc(S(=O)(=O)NCCn2cnc(-c3nn[nH]n3)n2)ccc1Cl 1609497753 HSAQTEFGPFBTDW-UHFFFAOYSA-N 379.793 -0.038 30 20 GBED COc1cc(C#N)ccc1S(=O)(=O)N(C)Cc1nnc2n1CCNC2=O 1664189028 KFONUDPPHHKPJE-UHFFFAOYSA-N 376.398 -0.278 30 20 GBED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN(C)C(=O)C(=O)O)C[C@@H]32)C1 1783466264 IZICPKPNVLLFPG-QEJZJMRPSA-N 393.440 -0.525 30 20 GBED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1791274365 JPPIFCGLIXNNII-AVGNSLFASA-N 375.362 -0.733 30 20 GBED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21)n1cnnn1 1791689146 YOSBEDTZWIMFGO-DSRCVFDASA-N 398.427 -0.273 30 20 GBED O=C(COCCO)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1799339442 XWFZVQDJRMPHSV-HGKCTWBKSA-N 394.468 -0.717 30 20 GBED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2 1800992173 RHCJWXGAIFOGSB-YWVIFJGQSA-N 387.373 -0.896 30 20 GBED CN[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1)C(=O)O 1834398470 WVVSDWSYVMHWPL-HNNXBMFYSA-N 379.461 -0.466 30 20 GBED CN(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1834940735 KYGJJOAHUYDUAR-LKQKOTCASA-N 392.456 -0.284 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nc4ncccn34)C2)C1 1839808153 MWXNETFBKGTIGR-IBGZPJMESA-N 383.408 -0.259 30 20 GBED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)CC1 1839894984 CQYVKJMVDFGALF-GOSISDBHSA-N 393.440 -0.054 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1840167465 QOEFPBXWISSOFY-SFHVURJKSA-N 376.413 -0.011 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840606056 MXLBQGSPNOBNQH-WNSDDWSPSA-N 392.452 -0.627 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)c1 270815594 IMGPPGPUCPIWHL-CYBMUJFWSA-N 381.454 -0.184 30 20 GBED Cn1c(NC2CCN(S(=O)(=O)C(C)(C)C)CC2)c(C#N)c(=O)n(C)c1=O 276940834 SEYXJCLWVBSYSC-UHFFFAOYSA-N 383.474 -0.040 30 20 GBED CNS(=O)(=O)CC/N=C(/O)N1CCC(C)(CN2CCN(C)CC2)CC1 331289359 JNYRYSPSOCRYLD-UHFFFAOYSA-N 375.539 -0.201 30 20 GBED CCN1C[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)C[C@H]1C 349481340 ZMZLSDWZAUDLPW-KGLIPLIRSA-N 380.536 -0.094 30 20 GBED C[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)[C@H]1CO 349496047 OXLGTFJUYBIMMC-OLZOCXBDSA-N 381.520 -0.027 30 20 GBED C#CCSCCNC(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 367771705 WEMQLPJIAXCURD-UHFFFAOYSA-N 392.485 0.102 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)N3CCO[C@@H](C#N)C3)C2=O)cc1 410388301 PVFWVGHNFBWCEI-JKSUJKDBSA-N 389.437 -0.282 30 20 GBED COC(=O)CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C#N)c(F)c1 419830511 UCCRPZCPMXLMMA-CYBMUJFWSA-N 376.344 -0.084 30 20 GBED COCCOC1CN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 441500257 BCSUJSWRKYCYFB-UHFFFAOYSA-N 384.396 0.260 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2ccncc2F)CC1 496532545 DPSOPRBAZOMEFZ-ZDUSSCGKSA-N 377.420 -0.156 30 20 GBED CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 502014905 KSOJJCQDNQEHRV-HZPDHXFCSA-N 387.440 -0.088 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCCC2)cc1 515073670 ROCRGOLCWYFXCS-UHFFFAOYSA-N 386.455 -0.611 30 20 GBED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1 517331444 KYSLAIMXYOECJK-AWEZNQCLSA-N 388.380 -0.792 30 20 GBED COC(=O)CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 521272280 WUYYTFAEPVXSKU-JTQLQIEISA-N 375.428 -0.330 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1C 549556035 WOFORITYAPFDHU-UHFFFAOYSA-N 389.481 -0.291 30 20 GBED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(C)(C(N)=O)C2)cc1 566341925 QESRJWIKDVRXAV-SNVBAGLBSA-N 378.410 -0.355 30 20 GBED C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)N1CCn2nccc21 568254013 GGNLVWPBWSSAOF-OLZOCXBDSA-N 390.487 -0.314 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1 568531362 BURXJABJLGMHRO-CQDKDKBSSA-N 385.467 -0.120 30 20 GBED COC(=O)[C@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 580215784 DHQFSNOGMPVRQQ-MNOVXSKESA-N 389.455 -0.036 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCC[C@@H]4COC[C@@H]43)CC2)c1C#N 591006384 XUYXFXRMSFYLFB-ZBFHGGJFSA-N 386.456 -0.114 30 20 GBED N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1 610493634 SLPNHIWROOMSMF-KRWDZBQOSA-N 391.497 -0.040 30 20 GBED C=C[C@H](CO)NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 662167744 OFLTUSFRDWKBNY-CQSZACIVSA-N 383.470 -0.335 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)C1=O 672640241 UMHKEKUNHNXMNF-NVXWUHKLSA-N 391.516 -0.484 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(OCCN(C)C)CC2)c1=O 738212267 YJXQUHDBPBVCHG-UHFFFAOYSA-N 393.488 -0.456 30 20 GBED Cn1c(=O)nc(O)c2cc(C(=O)OCC(=O)N(CCC#N)CCC#N)cnc21 746916974 SYXRURAOJIHPFJ-UHFFFAOYSA-N 384.352 -0.153 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 761030202 FCJSMXGDDXIAGE-OAHLLOKOSA-N 381.502 -0.197 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c3nonc23)CC1 814381924 JBQRIQWWUHPTAB-UHFFFAOYSA-N 397.844 -0.068 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C2CN(C(=O)C3CCCCC3)C2)CC1 831579505 FVYOBGXGYKNPNI-UHFFFAOYSA-N 396.513 -0.363 30 20 GBED C#C[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N=c2nc(C)[nH]n2C)cc1 848941102 GBFJLTWEFNEQDX-SNVBAGLBSA-N 383.455 -0.354 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 920720362 QYDIWSCVKGDEPM-LLVKDONJSA-N 383.382 -0.056 30 20 GBED C#Cc1cncc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@H](OC)C2)c1 946781594 WXVOMCLKKZJNNX-YLFCFFPRSA-N 384.436 -0.257 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C[C@@H]2O)c1 970414009 BZBPIKZUGSICRE-MLHJIOFPSA-N 379.420 -0.098 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC(=O)NC(=O)C2)nc1 998949074 WBXJOHLINJJUNW-KBMXLJTQSA-N 380.404 -0.023 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCNS(C)(=O)=O)CC1 1111456777 VRCXMPXRIOSULY-ZACQAIPSSA-N 382.530 -0.398 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC)C1 1117341033 RNUZRBQOQOCEMX-AWEZNQCLSA-N 379.438 -0.535 30 20 GBED C#CCN1CCN(c2nnc([C@H]3SCCNC3=O)n2C[C@@H]2CCOC2)CC1 1123049320 HBVCBNNAOUQRAQ-LSDHHAIUSA-N 390.513 -0.026 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)C1 1193049171 CVHFNGATBNOQCK-NHIYQJMISA-N 382.461 -0.779 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@H](OC)C1 1212425836 GWHJEVBHOCXTEC-QHSBEEBCSA-N 390.444 -0.660 30 20 GBED CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1319204114 SKJLBQWRXSFECK-YWMAMYRUSA-N 389.456 -0.332 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCNC(=O)c2ccccc2F)C1=O 1323618331 YCOKJSNSCRMLFH-OAHLLOKOSA-N 390.415 -0.083 30 20 GBED CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 1324698108 KWLRXSPZDKCWSG-LBPRGKRZSA-N 382.446 -0.416 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCc2cccnc2N2CCOCC2)nn1 1326691469 UMZHOGZJOLQEAF-UHFFFAOYSA-N 385.428 -0.372 30 20 GBED Cc1cc(=O)c(C(=O)NCC#CCNC(=O)c2cn(C)c(C)cc2=O)cn1C 1327428715 GTQDHXAPLNSTLA-UHFFFAOYSA-N 382.420 -0.136 30 20 GBED Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CNC[C@H]3C#N)CC2)cn1C 1332178591 DOUMJYGNQIEXIK-KGLIPLIRSA-N 380.474 -0.643 30 20 GBED Cc1cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)ccc1-n1cnnn1 1341788593 ZKBSRRQLHXANAA-ZDUSSCGKSA-N 388.409 -0.450 30 20 GBED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCn3ncnc3C2)cc1 1346193130 DWYNDUDFNCHAEK-NSHDSACASA-N 388.409 -0.055 30 20 GBED Cn1ncc2c(N3CCN(C(=O)C(=O)N[C@@H]4CC[C@H](C#N)C4)CC3)ncnc21 1349046718 WKMYQKIBTHFYEF-QWHCGFSZSA-N 382.428 -0.180 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)CCOCc3cnn[nH]3)C[C@H]2C)nn1 1575111681 JMDMUCOBAGWVIT-TZMCWYRMSA-N 388.432 -0.234 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc(-c2cnn[nH]2)cn1 1577706482 IFTXCOGUASMDQP-XPKDYRNWSA-N 380.412 -0.158 30 20 GBED N#C[C@]12CN([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C[C@H]1CS(=O)(=O)C2 1581860297 UDDHZVDRHXGDPT-HEHGZKQESA-N 387.425 -0.737 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O 1588351125 FRKFMIQTALJCIS-FGTMMUONSA-N 395.467 -0.374 30 20 GBED C#CCNC(=O)CN[C@H]1CCCCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588353982 CKQFVJWVQNXJHU-AWEZNQCLSA-N 384.444 -0.081 30 20 GBED C#CCOCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1602729336 OTTBHFCUIQJIIS-LLVKDONJSA-N 378.414 -0.701 30 20 GBED C=CCOCC(=O)NCCN1CCC(Nc2nccnc2-c2nn[nH]n2)CC1 1602868843 WCEZIDWVKYNIPY-UHFFFAOYSA-N 387.448 -0.148 30 20 GBED C[C@H](NC=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1781245784 VERZQKAMPBQVTK-KBXCAEBGSA-N 379.461 -0.767 30 20 GBED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCN(C)CC1)CCO2 1783906598 QPSXVRLNAYQNNH-FQEVSTJZSA-N 376.501 -0.133 30 20 GBED C[C@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789343212 SQSUACKHUBTYAA-DSRCVFDASA-N 387.440 -0.009 30 20 GBED Cc1nn(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1F 1791073942 DJIVDKBPIFQGQJ-AVGNSLFASA-N 392.387 -0.451 30 20 GBED NC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc1 1791079595 UIQNCUUXIJVEJQ-JYJNAYRXSA-N 399.403 -0.533 30 20 GBED CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)S)[C@H]2C1 1791262147 UHMGTFUGOKNBQF-CYDGBPFRSA-N 388.559 -0.232 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)c1 1808268246 VPGWKKTYIZIEBO-VYDXJSESSA-N 381.440 -0.113 30 20 GBED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2ccncc2=O)n[nH]1 1821659052 RXTNODSEOCNVKS-ZDUSSCGKSA-N 398.379 -0.253 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cncn1)CCO2 1836134093 NQSPIRSIERHVLL-QGZVFWFLSA-N 395.485 -0.346 30 20 GBED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839213927 IAYKCQINIALYBX-IFXJQAMLSA-N 390.440 -0.633 30 20 GBED C[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840025172 YNAJAOFOODECGM-OXJNMPFZSA-N 394.468 -0.478 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1840169971 KVJPMQVUNDWDID-JXFKEZNVSA-N 391.468 -0.133 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CS(=O)(=O)CC 1847258817 HUIWEILZGZDVQM-LAWSMPECSA-N 383.470 -0.519 30 20 GBED CN(C)C(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/N1CCCCC1 1847344848 TYTWZEASJCSCNV-MQFPYMSISA-N 378.477 -0.069 30 20 GBED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H](O)C[C@H]2CO)CC1 186526488 RCQNCNCZCVDKIV-BZSNNMDCSA-N 376.432 -0.038 30 20 GBED C=CCn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 282550686 IVONCCDRWDPFRD-UHFFFAOYSA-N 388.472 -0.076 30 20 GBED Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)/C(O)=N/CC(=O)N2CCOCC2)no1 329988292 UDQZQOXLTYCFFO-KBPBESRZSA-N 398.439 -0.005 30 20 GBED CCS(=O)(=O)NCC/N=C(/O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 331291797 KVWLIIYOGNEKKG-CQSZACIVSA-N 389.522 -0.532 30 20 GBED CN(c1cnccn1)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@](F)(C#N)C1 349489740 GDKPBMCJRBOQKO-CYBMUJFWSA-N 391.450 -0.100 30 20 GBED C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)C1CC1 349510078 PPBUDPVNPCYYLP-GFCCVEGCSA-N 392.503 -0.813 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 349608690 NAARMGVPDNTQCW-NJVJYBDUSA-N 389.499 -0.187 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN([C@@H]2CCC[C@H]2O)CC1 369759895 KRCILDGODNFKEP-HUUCEWRRSA-N 392.481 -0.217 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCC1CCN(S(C)(=O)=O)CC1 409474600 BAHUBKDJUCXVCO-UHFFFAOYSA-N 382.508 -0.646 30 20 GBED CS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 426825973 SBGBXSVPNFRBRU-UHFFFAOYSA-N 389.441 -0.345 30 20 GBED Cc1oc(NC(=O)CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C#N)c1C 438668071 MDPNNCDAFNSZPX-GFCCVEGCSA-N 382.442 -0.058 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 440158071 JVUJBTDSHPNGGG-ZIAGYGMSSA-N 393.407 0.123 30 20 GBED Cc1nn(C)c(N2CCN([C@@H](C)C(=O)N3CCC(C(N)=O)CC3)CC2)c1C#N 472155514 MGKXJQYJSYHOEO-AWEZNQCLSA-N 387.488 -0.165 30 20 GBED C=CCOC[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)O 564926086 FNXSSKXUOSHWON-ZDUSSCGKSA-N 392.455 -0.129 30 20 GBED CCCN(CC(N)=O)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 566807298 LSQDSRDSQDSDPC-NSHDSACASA-N 388.471 -0.237 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)C2CC2)cc1)C(N)=O 568252531 WBVMXNSSMJJSET-JTQLQIEISA-N 386.455 -0.485 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)C[C@H]1N(C)C 577867434 ZQSOJOVHFVDIMZ-QWHCGFSZSA-N 380.536 -0.190 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 597376246 RYVIOGQNGDSLNP-CHWSQXEVSA-N 393.473 -0.699 30 20 GBED Cc1cc(C)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N[C@@H](C#N)CO)c(C)c1 597749959 RJBJBXHDDRYPGP-KKUMJFAQSA-N 381.454 -0.264 30 20 GBED C#CCN(CC(=O)NCc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCS(=O)(=O)C1 735374298 HJSWIWRQTSSMIM-OAHLLOKOSA-N 388.453 -0.395 30 20 GBED C#CCNC(=O)C1CCN(C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 747856378 KMNSCLIMLVZZGX-UHFFFAOYSA-N 388.472 -0.058 30 20 GBED Cn1cc(S(=O)(=O)NN=C(CO)c2ccc(F)cc2F)c(=O)n(C)c1=O 749626508 SAFBHXCHMRDAGC-UHFFFAOYSA-N 388.352 -0.963 30 20 GBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)[C@H]1CCCO1 805186488 JZNQUJGRPLZLMF-JLJPHGGASA-N 384.436 -0.223 30 20 GBED C#CCN(c1nnc(C(=O)NC(C)C)n1CCOC)[C@H]1CCS(=O)(=O)C1 812068964 KXLBGVOWNIYSTJ-ZDUSSCGKSA-N 383.474 -0.311 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCOC[C@@H]1CC(=O)OC)c1cc[nH]n1 813664539 PHUFXCXGXRCWFY-NSHDSACASA-N 382.373 -0.516 30 20 GBED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nn[nH]n3)o2)c(=O)n1C 820091964 CMRFIDYPUAERDO-UHFFFAOYSA-N 399.436 -0.505 30 20 GBED C#CCO[C@H](C)C(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 837849849 DGDPGAPIMXTHSI-CYBMUJFWSA-N 399.403 -0.058 30 20 GBED C#C[C@H](NC(=O)C(=O)NC[C@H](N1CCNCC1)C(F)(F)F)[C@H]1CCCO1 842164546 WTVCQGVMUQULTC-XQQFMLRXSA-N 376.379 -0.764 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](CO)C1 848955794 DVAHLKOLNVHSTO-CQSZACIVSA-N 397.478 -0.163 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1CCC2(C1)OCCO2 848959226 BJIJLCMCWHQUFZ-UHFFFAOYSA-N 395.503 -0.281 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2cnn(C)c2)C(C)C)CC1 896725150 YRIYRRMDJDWXLO-OAHLLOKOSA-N 382.490 -0.088 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](CS(C)(=O)=O)C2)c1=O 917465226 NSUPLGXUHXZWIH-AWEZNQCLSA-N 398.485 -0.742 30 20 GBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@@H]2CCS(=O)(=O)N2)c1 996627528 PVEOBWKVKKAMGI-UHXUPSOCSA-N 377.426 -0.560 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ccc(O)nc1=O 1003836654 AAVQLXLOOQKDJZ-ZSAUSMIDSA-N 388.424 -0.212 30 20 GBED C#CCN1CCC(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1044232666 KXPQZFYOTUNHNW-WKULXVSPSA-N 387.480 -0.556 30 20 GBED N#Cc1nccnc1N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1055364961 IYGQROHFEPRQPN-BREBYQMCSA-N 377.368 -0.381 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COC[C@H](C)N1CCCC1 1109735292 AGIRPSJJJUCFQK-MHORFTMASA-N 376.501 -0.042 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC(=O)NC)CC1 1111455269 VWPFUEYXJVOKRX-OAGGEKHMSA-N 375.473 -0.491 30 20 GBED N#CC[C@]1(O)CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 1261457860 AQRIBJJOGHJEJM-KRWDZBQOSA-N 380.470 -0.267 30 20 GBED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1318501177 UZUHWMAMFJEBLZ-JPWUFHEYSA-N 389.456 -0.286 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](O)CN1CCCC1=O 1319896384 VAWRQYSOXSSWOJ-TZMCWYRMSA-N 394.453 -0.675 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 1322097747 GRNRVIFAYZTXML-OAHLLOKOSA-N 386.518 -0.317 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](CO)C[C@@H](OCCOC)C2)CC1 1322801993 DFVQHWAWVDOHGB-DOTOQJQBSA-N 383.489 -0.375 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCO[C@@H](c3cnn(C)c3)C2)C1=O 1326768107 OLPAXBJLNXLDDD-CHWSQXEVSA-N 375.385 -0.267 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 1330198328 WRFAOZOGKJONMU-IAGOWNOFSA-N 380.489 -0.946 30 20 GBED C#CCN1CCN(C(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)CC1 1330623897 ZBVWZVOYXNRKGK-UHFFFAOYSA-N 383.452 -0.670 30 20 GBED C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nn1 1573349114 ZAHMTVQRHXGMKO-SNVBAGLBSA-N 382.388 -0.383 30 20 GBED C#CCOCCC(=O)N[C@H](C)[C@H]1CN(C(=O)CCCc2cnn[nH]2)CCO1 1575013132 MHJOCUMOMUKLFY-GDBMZVCRSA-N 377.445 -0.101 30 20 GBED C#CCN(C(=O)C(N)=O)C1CCN(c2cc(-c3nn[nH]n3)nc(CC)n2)CC1 1588347736 VROHRWFXYVMONN-UHFFFAOYSA-N 383.416 -0.865 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)O)cc1 1601093793 GWHGHDFEHIXSBE-ZDUSSCGKSA-N 379.394 -0.612 30 20 GBED C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1602722366 OHIFSVMJTHUDHN-UHFFFAOYSA-N 386.416 -0.745 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@]1(CO)CCCN(c2ncccc2-c2nn[nH]n2)C1 1602725802 NBVBRDNOAPFTJP-ACJLOTCBSA-N 385.428 -0.253 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCO1 1602886370 QPQAHKGGXVEULJ-SCRDCRAPSA-N 386.416 -0.431 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCO[C@@H](C(=O)O)C1 1610537780 VUSKVOZNTXFUGN-GFCCVEGCSA-N 384.352 -0.302 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3[C@H]4SC=C[C@H]43)[C@H]2C1 1790630354 MPWOCHATGNXCEM-HYXZDWPFSA-N 376.434 -0.071 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ncccn34)C[C@@H]21 1791076773 LMSOWMSKPLYFDI-YDHLFZDLSA-N 397.391 -0.589 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1O 1794356271 WMHWMJHEGOAJDB-VWPFQQQWSA-N 391.424 -0.120 30 20 GBED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2 1795278898 PBTWTYYWKNOPBR-LJCCNALRSA-N 381.432 -0.236 30 20 GBED COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1797965288 NWGUBMYWXMKNJR-LXTVHRRPSA-N 378.429 -0.969 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1833115182 WLGLHSQPQQSVTP-FQEVSTJZSA-N 384.436 -0.111 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1834758660 TZZJIKZGAGKFPZ-GOSISDBHSA-N 384.396 -0.058 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN(C)C)CCO2)C1 1835381566 SRRHGUBHDFQNTA-VQIMIIECSA-N 381.473 -0.567 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](CC)NC)CCO2)C1 1835904008 HNJTVHWTGQCZKW-MDZRGWNJSA-N 381.473 -0.521 30 20 GBED COc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cn1 1840158146 GRDZMGSJZVUHLL-SJKOYZFVSA-N 396.469 -0.127 30 20 GBED C#CC(=O)N1CCCC12CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CCC(=O)N1)C2 1845960248 JAUAZHVFANUQEG-QWHCGFSZSA-N 390.465 -0.997 30 20 GBED Cc1cc(C#N)ccc1S(=O)(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 265821433 AYAJWMNJHZMEPU-ZDUSSCGKSA-N 385.467 -0.162 30 20 GBED N/C(=N\Cc1ccc(S(=O)(=O)CCO)cc1)NCCCN1CCOCC1 276561229 BSAICHRZQRFGJN-UHFFFAOYSA-N 384.502 -0.421 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(Cc3cc(C)on3)CC2)C1=O 297934505 SMBQZFCZKXYKPP-MRXNPFEDSA-N 389.456 -0.127 30 20 GBED CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 330634673 BUFBULHRGWXRCZ-JKSUJKDBSA-N 385.534 -0.308 30 20 GBED C[C@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 349487316 XGINYOLWRHEBPR-JTQLQIEISA-N 379.464 -0.934 30 20 GBED CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 373135764 AHRAOLSPSIXTQW-LBPRGKRZSA-N 396.473 -0.012 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1=O 377638800 FQOSUJFJFAJNLK-GFCCVEGCSA-N 399.407 -0.543 30 20 GBED COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 410160956 WGWKINLQTDYPHW-GJZGRUSLSA-N 389.522 -0.519 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCN(C)CC[C@H]3C)CC2)c1C#N 410477857 WKMUONGHDUXXCS-CQSZACIVSA-N 387.488 -0.199 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H](CO)[C@@H]3CCCO3)n2)c(F)c1 448382688 HFIZTRQJFZLCMT-HIFRSBDPSA-N 387.371 0.478 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 460708889 KRAJQCKQYJPDTQ-ZDUSSCGKSA-N 393.407 0.265 30 20 GBED C=CCN(CCOC)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 484618093 QCEAJOUYRDLKSD-UHFFFAOYSA-N 375.385 -0.768 30 20 GBED COc1cc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)ccc1NS(C)(=O)=O 536947748 OGCZLBOFZTYASH-LLVKDONJSA-N 382.398 -0.244 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 553356230 SUSBXBBODQPBLU-LMSBXDPUSA-N 395.419 -0.236 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H]3CCN(C4CC4)C3)CC2)c1C#N 580352462 WPWKNXXGWJVCHY-OAHLLOKOSA-N 399.499 -0.151 30 20 GBED CCN1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1=O 587659398 NFVKEWOMPNDPTE-UHFFFAOYSA-N 384.440 -0.271 30 20 GBED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[C@@](O)(CC#N)C2)[C@H](C)O)cc1 592847892 RJLXXWIFNYFDQI-QRTARXTBSA-N 381.454 -0.100 30 20 GBED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C)C(=O)[C@H]2C)cc1 593595217 DISZXYYUMNOBMT-NWDGAFQWSA-N 392.437 0.000 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCCOCCO)cc1 594628255 MDMMYGODGOLSTK-UHFFFAOYSA-N 391.471 -0.492 30 20 GBED CCS(=O)(=O)NCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767674898 GZKXLZAOSGWNSK-NSHDSACASA-N 389.455 -0.292 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCN(CC[S@@](C)=O)CC1)c1cc[nH]n1 772300998 UOJRGVUHIGFACJ-HHHXNRCGSA-N 399.473 -0.784 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Cc2cc(OC)c(O)c(OC)c2)CC1 789929124 VXQCAALGBUKHTA-UHFFFAOYSA-N 375.425 -0.155 30 20 GBED Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCCNc3ccc(C#N)cn3)C2=O)cn1 807212100 QLMISLOTHWBLEM-CQSZACIVSA-N 396.411 -0.863 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CC1 831556159 IZPPXCJFKPRAGH-AWEZNQCLSA-N 394.428 -0.137 30 20 GBED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN2CCNCC2=O)cc1 843391296 UWKRHLDLYUUJPW-HMMYKYKNSA-N 393.469 -0.130 30 20 GBED CS(C)(=O)=NS(=O)(=O)N1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 846967376 XTMAYGFQMKAHIJ-CQSZACIVSA-N 399.498 -0.325 30 20 GBED C#C[C@H](CC)NS(=O)(=O)CCCS(=O)(=O)N1CCCn2ncnc21 848963387 QBIJDCRGSZBSRS-GFCCVEGCSA-N 375.476 -0.461 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nnn(C)c1C 960165982 LJONNQNFJIXWHC-CBBWQLFWSA-N 375.429 -0.234 30 20 GBED CC#CCN1CCN(S(=O)(=O)C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 961064980 SOGMZYCJDSPDCP-WKULXVSPSA-N 393.509 -0.409 30 20 GBED C=CCn1cc(C(=O)N2CCOC3(C2)CN(C(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@@H]42)C3)nn1 965379113 BETVKKIWCFVWBY-VUBIOHBQSA-N 399.451 -0.059 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnc3c2CC(=O)N3)C[C@@H]1O 970701779 CGNFXFNONWOVHC-RZFFKMDDSA-N 386.408 -0.531 30 20 GBED Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)n1 1039622643 ZADWKTVWFPHQRO-RQJABVFESA-N 381.400 -0.766 30 20 GBED C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1055610417 FNZCHUDUULEFIH-YQFWSFKMSA-N 378.473 -0.106 30 20 GBED CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 1093050985 NMARPJCPHAUMGW-UPJWGTAASA-N 378.458 -0.098 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cccn2c(O)nnc12 1111272663 ZSABYFLRNYWBID-GBOPCIDUSA-N 382.424 -0.092 30 20 GBED C#CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)n2)O1 1130790137 JQWWELJDMBPTGQ-LXTVHRRPSA-N 376.461 -0.417 30 20 GBED Cn1nc2c(cc1=O)CN(C(=O)C(=O)N1CC(Oc3ccc(C#N)cc3)C1)CC2 1325915345 KXMFTPOUHCOQRF-UHFFFAOYSA-N 393.403 -0.174 30 20 GBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CCNCC2)C1 1326583907 GMKZYGZYKASGMN-SJXGUFTOSA-N 388.472 -0.458 30 20 GBED Cn1nc(Br)c2c(=O)n(CC(=O)OCC(=O)NCC#N)cnc21 1327150472 JFRDBXYUHHRHNL-UHFFFAOYSA-N 383.162 -0.925 30 20 GBED C=C(C)COCCNC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 1343162516 NQOCEXZLQWKZLZ-UHFFFAOYSA-N 375.429 -0.462 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCC1 1360716014 ZECMTSWISRMWTG-ZIAGYGMSSA-N 397.505 -0.287 30 20 GBED C#CCNC(=O)[C@H](C)N1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C(C)(C)C1 1573285449 IFRCXRONNJSNCS-FZMZJTMJSA-N 384.444 -0.227 30 20 GBED N#Cc1ccc(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)[nH]1 1581867871 ZPWWZGARZGHLEC-LLVKDONJSA-N 380.372 -0.508 30 20 GBED C#CCNC(=O)[C@@H](C)NCC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588353220 KXZVIIXNYYHCEN-CHWSQXEVSA-N 384.444 -0.226 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O 1588505826 XYNXVOGXZAMJTJ-XHBSWPGZSA-N 378.458 -0.083 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1 1602862738 HDDBLXICEZCQTL-UHFFFAOYSA-N 388.436 -0.527 30 20 GBED COC(=O)[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C[C@@H]1C(=O)O 1606425610 LRHXQYRRXTWSBE-ZNMIVQPWSA-N 380.445 -0.516 30 20 GBED NC(=O)c1nccnc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1779873491 QKIKUOOBISOYFS-LJQANCHMSA-N 383.408 -0.568 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(O)O)CCO3)c1Cl 1780188862 SAYLTWBXEJFTLO-QGZVFWFLSA-N 379.800 -0.034 30 20 GBED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1782193970 GMMBWGHQJDGUGM-VEVIJQCQSA-N 378.429 -0.326 30 20 GBED CN(C)C(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786693321 LDSFFRAEICTBKH-IHRRRGAJSA-N 377.445 -0.459 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1 1793420548 ZIWMGGPBCWGEGL-VJTDZRGJSA-N 381.429 -0.743 30 20 GBED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2 1797784618 MAMJGVVKHJNSJK-HGKCTWBKSA-N 394.468 -0.717 30 20 GBED Cn1ncnc1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812876117 BVQGWIIGORYTPK-CJNGLKHVSA-N 382.380 -0.382 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1830592532 RNYGWRBZEZCLMN-AUUYWEPGSA-N 378.425 -0.540 30 20 GBED Cn1cnc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)n1 1834089987 JFKOLDNFVLQELJ-UHFFFAOYSA-N 388.428 -0.912 30 20 GBED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834761116 QKORDYOJXHRFRX-YOEHRIQHSA-N 376.417 -0.716 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835414168 YAHAOTHWNYAQPZ-GUYCJALGSA-N 385.486 -0.617 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](C)N(C)C(C)=O)C1 1843423530 CCEXGXRUTZTRGE-DANTVBBOSA-N 376.457 -0.085 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)c2nccnc2C(N)=O)C1 1844595496 OFJLKDHDBGKNST-UHFFFAOYSA-N 399.455 -0.326 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2 1845188627 NWGONNDQOHIJDR-QGZVFWFLSA-N 395.456 -0.650 30 20 GBED COC(=O)CNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 26350588 BUDQCVBEMWXAHN-ZDUSSCGKSA-N 394.453 -0.458 30 20 GBED C[C@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CN1CCOCC1 290133341 UDTCLRXUNYHUKS-CQSZACIVSA-N 380.470 -0.079 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC#CCO)o1 294253795 FDLIUZYKDJUTLF-GFCCVEGCSA-N 384.410 -0.279 30 20 GBED CN1CCN(C(=O)CC/N=C(/O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 329574711 AUDUYOWITABHJT-BQGCOEIASA-N 392.456 -0.341 30 20 GBED COC[C@@H](CCO)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 367796062 QMHDEGQBDCRCSB-GFCCVEGCSA-N 375.360 0.335 30 20 GBED CCNC(=O)CN1CCCN(S(=O)(=O)N(CCC#N)CCOC)CC1 369107666 VGKWJADVVXDXPF-UHFFFAOYSA-N 375.495 -0.763 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)O)CC2)c1C#N 422872922 JETJCRWTYZRDKT-LLVKDONJSA-N 376.417 -0.572 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)n1 444576102 UKGOBKRHEHRPLS-ZDUSSCGKSA-N 386.387 0.335 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)OCC)[C@@H]2CCCOC2)C1=O 511655092 UTLRGKQGMTZHNS-YPMHNXCESA-N 381.385 -0.562 30 20 GBED Cc1ccc(C(=O)Nc2ccn(CC(N)=O)n2)cc1S(=O)(=O)NCC#N 517478503 NCJKUYYGVAHZJW-UHFFFAOYSA-N 376.398 -0.269 30 20 GBED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 530336366 IRKOKTSNOJJYKT-ZDUSSCGKSA-N 375.429 -0.769 30 20 GBED C[C@H](N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)NC1(C#N)CCCCC1 533383538 PDGMULYFEGPSPX-ARFHVFGLSA-N 398.529 -0.195 30 20 GBED N#Cc1cccc(N2CCN(C(=O)NC[C@H]3CS(=O)(=O)CCO3)CC2)n1 545509546 YFDWELQALCYTPN-AWEZNQCLSA-N 379.442 -0.402 30 20 GBED CC(C)NS(=O)(=O)NCCNC(=O)N(C)CCCc1[nH]nc(N)c1C#N 555659753 UXEDMGLLNDOTHE-UHFFFAOYSA-N 386.482 -0.730 30 20 GBED C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2cnccc2C#N)CC1 579908969 QOOWPEUDVRDCDA-UKRRQHHQSA-N 377.470 -0.233 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCOCCS(N)(=O)=O 588278848 YGZZJOIIIBKVEU-UHFFFAOYSA-N 393.429 -0.126 30 20 GBED COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C#N)cc1C(=O)OC 593525972 PZHSYHIJPIQMQV-LBPRGKRZSA-N 395.393 -0.603 30 20 GBED CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)N2CC[C@](C)(C#N)C2)cn1 595185213 WPYGYJURGLNZCF-RHSMWYFYSA-N 393.469 -0.037 30 20 GBED Cn1cc(C#N)c(=O)n(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1=O 598951528 OSKREBUGZHGNJR-UHFFFAOYSA-N 395.419 -0.029 30 20 GBED C=CCCn1cc(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)nn1 653493102 KBSSMZFAEFAPTF-UHFFFAOYSA-N 383.522 -0.536 30 20 GBED COc1ccc(CNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)cc1C#N 747443532 HMUYUUDQNWSCLA-UHFFFAOYSA-N 391.409 -0.411 30 20 GBED C#CCN1CCN(C(=O)Cc2c(C)nn(-c3cncc4nnnn34)c2C)CC1 749906602 AMPWYWGAHKJSCX-UHFFFAOYSA-N 379.428 -0.358 30 20 GBED C#C[C@@H](NC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1)[C@@H]1CCCO1 773796900 ZSAPVLYPBVKRGY-CABCVRRESA-N 384.392 -0.026 30 20 GBED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC(=O)NC1(C#N)CCC1 789108858 HUOCIUFPUXYSST-MRXNPFEDSA-N 392.412 -0.292 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 820125566 LCHBAMYAGVVGFE-LBPRGKRZSA-N 396.421 -0.193 30 20 GBED CNC(=O)COc1cccc(CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)c1 821633973 MUDVSQFYEVRSFC-UHFFFAOYSA-N 381.356 -0.233 30 20 GBED C[C@@H]1CN(CCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@H](C)CO1 855414097 WRGIKTNUMLUUNG-CHWSQXEVSA-N 380.470 -0.050 30 20 GBED N#Cc1cc(F)ccc1N1CCN(C(=O)C(=O)NC[C@@H]2CNCCCO2)CC1 884724092 ILPUSYDQHJEWRU-INIZCTEOSA-N 389.431 -0.159 30 20 GBED COCCNC(=O)[C@H](C#N)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 916890465 IBCWXXGBUYGRKY-OCCSQVGLSA-N 375.360 -0.283 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c(=O)cn1 960855329 KLWSZZJVAUGXRA-FAYQHZLMSA-N 388.424 -0.197 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2ccc(O)nc2=O)[C@H]1C 988820834 IKATXZGPOXBLLO-MQYQWHSLSA-N 376.413 -0.354 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)nc1 1004749198 UMQFIRCRQDBXCQ-FMPTWSOUSA-N 382.420 -0.043 30 20 GBED CN(C)S(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 1092847295 FWVOUFCNLISTCH-AGIUHOORSA-N 378.458 -0.144 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@H](C(C)C)N1CCOCC1 1117582051 MBDHTJVOSPQTHC-CQSZACIVSA-N 375.491 -0.824 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 1318905287 OQZFNKARXNIKJM-UPTRSRDDSA-N 376.413 -0.247 30 20 GBED C#CCCN1CCC(NC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 1318951382 DKDLQITXEWJCSQ-UHFFFAOYSA-N 382.442 -0.739 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)CCO1 1320004649 VNTGJMRXRBUMAX-ZDUSSCGKSA-N 389.416 -0.630 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCc1cnccn1 1321932702 HKMZGISNSOREPP-CYBMUJFWSA-N 380.412 -0.466 30 20 GBED Cn1cc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nn1 1326602431 FJAPCBCSXRGEHZ-OAHLLOKOSA-N 381.396 -0.780 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)CC1 1328670423 QBQRPSJSKKFCNV-HNNXBMFYSA-N 387.502 -0.585 30 20 GBED CCOCCCNC(=O)C1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 1344594658 MRXJXKVOTRBBKB-HNNXBMFYSA-N 388.490 -0.290 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1C[C@H](C)N(C)[C@H](C)C1 1344947676 RYDFXBRYSRYZDT-ZNMIVQPWSA-N 385.472 -0.064 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(CCOC(C)C)CC1 1347201482 SUXKSBSWZBJMSG-UHFFFAOYSA-N 375.491 -0.727 30 20 GBED Cc1ccc(CC(=O)N2CCN(C(=O)C(=O)N3CCO[C@H](C#N)C3)CC2)cc1 1348213185 IGCRWOOTAFTKLK-QGZVFWFLSA-N 384.436 -0.041 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 1350739978 QFZDMADPNJPPGW-UHFFFAOYSA-N 387.502 -0.890 30 20 GBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)CC(=O)NCc2cnn[nH]2)C[C@H]1C 1575100262 NGBQEVBTKRDVPX-UMVBOHGHSA-N 392.460 -0.245 30 20 GBED C=CCOCC(=O)N1CC[C@]2(CCN(C(=O)CC(=O)NCc3cnn[nH]3)C2)C1 1575109307 XKEORCIUTHYUOQ-SFHVURJKSA-N 390.444 -0.535 30 20 GBED N#Cc1cnc(N2C[C@@H]3C(CNC(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@H]3C2)cn1 1581877635 BYPXWSHLQLJHDJ-CHWSQXEVSA-N 376.384 -0.031 30 20 GBED C#CCCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588347203 OBXNQDDOJVREEO-ZDUSSCGKSA-N 391.457 -0.563 30 20 GBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@@H]1O 1588611048 PRKSHPQLFQSBIR-YUTCNCBUSA-N 388.432 -0.388 30 20 GBED C[C@]1(CNC(=O)CSCC#N)CN(c2ccc(-c3nn[nH]n3)nn2)CCO1 1590126620 DMIOKHCOOBSRAO-HNNXBMFYSA-N 389.445 -0.375 30 20 GBED Cc1ccc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)O)cc1S(=O)(=O)NCC#N 1600332557 HRPLUQSUNPUSHZ-OCCSQVGLSA-N 381.410 -0.153 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2cc(-c3nn[nH]n3)nc(CC)n2)C[C@H]1O 1602792110 DQPBODONZIRKCA-QFSBIZTOSA-N 388.432 -0.788 30 20 GBED CC(=O)N1CCN(CCNC(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)CC1 1602929032 KKASNTIPDXVRLA-QGZVFWFLSA-N 396.455 -0.171 30 20 GBED COc1ccc(CNC(=O)Cn2c(N)nc(-c3nn[nH]n3)c2C#N)cc1OC 1605278748 ZNRJXMWAFVFKKJ-UHFFFAOYSA-N 383.372 -0.149 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](O)CN(C)c2nc(C)cc(C#N)n2)n1 1605576405 YXAZTCLXPLJGSJ-GFCCVEGCSA-N 381.404 -0.156 30 20 GBED C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCO1 1609018720 DRQIYXLARRULRV-KBPBESRZSA-N 390.425 -0.558 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCOC1 1611712029 WYOSFRWWMMXIRG-AVGNSLFASA-N 384.462 -0.346 30 20 GBED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)N2CCOCC2)C1 1779418217 RZBXRBZEEYZDHO-LSTHTHJFSA-N 393.484 -0.436 30 20 GBED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)CN)CCO3)c1 1780169274 PUVZVKQEKWJVHY-LPHOPBHVSA-N 387.440 -0.704 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781105244 ZRFWODATRFGKED-RKVPGOIHSA-N 384.546 -0.230 30 20 GBED C=CC[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1783107590 NRMADKRTEJSOBT-FZKQIMNGSA-N 378.429 -0.420 30 20 GBED COC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1784259528 KHTOXTNHYCXGKL-ABQTWSPHSA-N 392.412 -0.116 30 20 GBED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1785031790 ATWWPXYXLYFJAF-QPSCCSFWSA-N 392.456 -0.270 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nncn2c1 1797465112 PWQDNUSGKWFKOE-FVCICTRLSA-N 383.364 -0.980 30 20 GBED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NNC(=O)C2)cc1 1797678079 OXYCXGRRHBKVLU-CCWDJLKJSA-N 395.419 -0.434 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccnnc2O)[C@@H]1c1cccnc1 1812879539 ATRFVIWQSZMFHJ-SUMWQHHRSA-N 395.375 -0.015 30 20 GBED COC(=O)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1826507739 WTDJYWHFRCDIMC-QMMMGPOBSA-N 380.382 -0.501 30 20 GBED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)n(C)n1 1833449573 XUDQCKUIMOARHU-YVEFUNNKSA-N 398.485 -0.183 30 20 GBED Cc1ncc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)[nH]1 1833580242 BNIWLOIEENSOHZ-UHFFFAOYSA-N 387.440 -0.009 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838767307 BBUBZIXVEPGFTN-AWEZNQCLSA-N 387.318 -0.473 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1839841016 PQELNEGGXOQNRS-DNVCBOLYSA-N 393.488 -0.505 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1840159658 JTYSQCQJFDTTMB-GUYCJALGSA-N 382.486 -0.263 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN(C)C(C)=O)C2)C1 1840840241 HMKKLOMOJODERR-IBGZPJMESA-N 379.457 -0.275 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NC2CC2)cc1 49271622 ZBTYYCGFOGUDRC-UHFFFAOYSA-N 394.453 -0.174 30 20 GBED N#Cc1nc(-c2ccco2)oc1N1CCN(CC(=O)N2CCNC(=O)C2)CC1 130047465 LYDXFNSWAHKXFT-UHFFFAOYSA-N 384.396 -0.113 30 20 GBED CCN1CCN([C@H](C)CN/C(=N/C)N2CCN(c3cnn(C)c3)C(=O)C2)CC1 261851762 XKXTUKUZXDXCDK-MRXNPFEDSA-N 390.536 -0.330 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCCN2C[C@H](C)O[C@H](C)C2)C1=O 268003186 NJOSJGDZEUJFTN-OKILXGFUSA-N 380.445 -0.031 30 20 GBED C=CC[C@@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 273457966 HKYDZGSWJCMJRJ-SCRDCRAPSA-N 399.425 -0.228 30 20 GBED COCCOCCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 284708337 NQVUGPSZOJEOIS-UHFFFAOYSA-N 375.429 -0.229 30 20 GBED C[C@@H]1CN(C(=O)C/N=C(/O)c2cccc(S(=O)(=O)N(C)C)c2)C[C@H](CO)O1 331010967 ZMFMDEPRRKKCDQ-TZMCWYRMSA-N 399.469 -0.150 30 20 GBED C=CCOC[C@H]1NC(=O)N(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 348388581 MYRMVRXMDVUMSV-CYBMUJFWSA-N 398.397 -0.004 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 349454111 BUMAXWKTIGNSPO-ODXJTPSBSA-N 375.472 -0.577 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O 409501176 LHETXBOOAWUNAM-CHWSQXEVSA-N 382.508 -0.457 30 20 GBED COCCNCCNC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 420178466 DNXAKMXZBGFBFR-UHFFFAOYSA-N 377.420 -0.302 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)N4)CC2)c1C#N 423697745 NMWSWAGSMCDFOJ-CABCVRRESA-N 385.472 -0.398 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1=O 439588549 RZQZEIDGEJIJTM-OAHLLOKOSA-N 376.461 0.466 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@H]4C(=O)NC[C@H]43)n2)c(F)c1 440169078 MUJOOGADXWZHKU-IUODEOHRSA-N 396.382 0.559 30 20 GBED CCNC(=O)C(C)(C)CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 515249731 LVZGXWMHYDDCDU-UHFFFAOYSA-N 377.449 -0.467 30 20 GBED CC#CC[C@H](CO)NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 591964744 UQZJVGGWIIEHHP-GFCCVEGCSA-N 384.414 -0.053 30 20 GBED CCS(=O)(=O)NCCCNS(=O)(=O)c1ccc(C#N)cc1C(=O)OC 593537956 ITLANSSKNJMXEU-UHFFFAOYSA-N 389.455 -0.047 30 20 GBED COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)[C@@H](C)n1cnc(C#N)n1 600021091 XJSMYTMWYJCVDO-MXWKQRLJSA-N 380.430 -0.320 30 20 GBED CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCN(CCC#N)CC1 602244913 XNAYNUFDIMYEAU-MRXNPFEDSA-N 392.504 -0.897 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCCSC 603552794 MBMDCDVTAPBVPL-UHFFFAOYSA-N 377.495 -0.355 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCCCN1C(=O)CNC1=O 733395076 SRFGFXFIHNVDEF-UHFFFAOYSA-N 380.382 -0.790 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745442740 BBQJHKQRRYCUDM-KALVJPODSA-N 393.396 -0.519 30 20 GBED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C)cn2)c1=O 758077597 XNPPAAQKKOFVIO-AWEZNQCLSA-N 396.472 -0.099 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(=O)OC)nc2)CC1 769653826 UUXBIULGESHIMA-UHFFFAOYSA-N 394.453 -0.686 30 20 GBED COC(=O)[C@@H](O)CNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 778947917 USOQMBBDPGZLSU-OLZOCXBDSA-N 397.453 -0.210 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)OC)CC2)c1 779545018 DCSYQSVDHPWFNA-UHFFFAOYSA-N 379.438 -0.471 30 20 GBED C=CCS(=O)(=O)CCNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 783055692 MIAHLRDFONCZSG-UHFFFAOYSA-N 385.446 -0.536 30 20 GBED N#Cc1ccc(NCCNC(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)nc1 806713172 NDBZWQQKCGCWJK-CQSZACIVSA-N 389.412 -0.480 30 20 GBED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(-c3nn[nH]n3)s2)c1=O 822590099 IDLISDVNXUVDRE-UHFFFAOYSA-N 399.461 -0.530 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@](O)(/C=C\OCC)C(F)(F)F)C1=O 848191471 SYWYVYZSEINWPM-BRLPQQTGSA-N 393.318 -0.077 30 20 GBED CCCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n(CCOC)c1=O 853447100 RFCOUSIONNPUMW-UHFFFAOYSA-N 375.454 -0.588 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cccn3nnnc23)C1 964014651 PJFOJUZHXPDCAQ-RZFFKMDDSA-N 386.412 -0.593 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCNC(=O)C2)cc1 1004873740 LBOMFJFAFHRLRA-KURKYZTESA-N 380.448 -0.039 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@H]21 1022750671 NPTNXPSSVOITJS-HZMVEIRTSA-N 390.484 -0.589 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(CCC)n2)C[C@H]1O 1025711321 NOEWZWUONQPCCQ-MIGQKNRLSA-N 390.440 -0.454 30 20 GBED C#CCNC(=O)CNCC[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1C 1104444147 ITAAIOSODKQBDS-QLCXLMDBSA-N 377.485 -0.139 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC(=O)N(C)C 1111117767 BBXAOSKLJDSDRW-SYQHCUMBSA-N 379.461 -0.414 30 20 GBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 1193866857 XGKMBQMUPCCAAP-QBPKDAKJSA-N 376.457 -0.301 30 20 GBED CCN(C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[C@@H](C)CS(=O)(=O)CC 1261849522 JATCYXJWNWVKQF-ZFWWWQNUSA-N 384.502 -0.143 30 20 GBED C#CCSCCNC(=O)C(=O)N(CCCOC)[C@H]1CCS(=O)(=O)C1 1323105554 WKLMHJVUGCOGSQ-ZDUSSCGKSA-N 376.500 -0.479 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC(CN3CCOCC3)CC2)nn1 1326718183 GJZXSKOJRMKMHS-UHFFFAOYSA-N 376.461 -0.349 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1330238498 AHFBGFRPUUGKRQ-CVEARBPZSA-N 394.472 -0.320 30 20 GBED CN(C)CCN(C)CCCN(C)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1331989617 RSLFQOSWSPAHQA-QGZVFWFLSA-N 378.521 -0.473 30 20 GBED CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C(=O)N1CCN(C3CC3)[C@@H](C#N)C1)CC2 1332019448 PBFOVUQINLWDJR-GVDBMIGSSA-N 390.484 -0.036 30 20 GBED CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)C1 1335492489 UELBVIWFTKZTGZ-MSOLQXFVSA-N 388.516 -0.576 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccncc2)C[C@@H]1C 1338715951 CUYFRECYBBYZAR-AWEZNQCLSA-N 380.470 -0.164 30 20 GBED CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)c1 1349211941 MQAKMSHVJKIWND-SJCJKPOMSA-N 394.453 -0.351 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2Cc2ccccc2C)CC1 1355442477 UNBNVUOPCNMTAG-UHFFFAOYSA-N 375.458 -0.381 30 20 GBED N#Cc1ccc(N2C[C@H](C(=O)NC[C@]3(O)CCS(=O)(=O)C3)CC2=O)cc1 1569155411 YRVWVAXTNRANCP-CXAGYDPISA-N 377.422 -0.423 30 20 GBED COC[C@H](OC)C(=O)N(Cc1cnn[nH]1)C1CCN(C(=O)[C@@H](C)C#N)CC1 1576964838 FMWJIHWQGDRELM-WFASDCNBSA-N 378.433 -0.055 30 20 GBED N#Cc1ccc2c(c1)C[C@@H](NC(=O)CCn1cc(-c3nn[nH]n3)c(O)nc1=O)C2 1581874587 YFXDPYPQBHOIAD-ZDUSSCGKSA-N 392.379 -0.326 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCCO1 1588505841 YIWZFFAEGNAUMF-SJKOYZFVSA-N 388.432 -0.305 30 20 GBED N#CCSCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 1592680779 ZDBVRKWCTHMWEZ-CABZTGNLSA-N 390.429 -0.857 30 20 GBED COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1ncn(C)n1 1619913658 KELTWWVKXAGFCD-UHFFFAOYSA-N 387.448 -0.056 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1778966912 IAMCKVLIHVXFSJ-ACJLOTCBSA-N 377.445 -0.168 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1783106220 AIULWWQUJUPWOT-KVSKMBFKSA-N 381.473 -0.321 30 20 GBED CC[S@](=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1788490780 HRBSEKRPLLZMFD-JKBMYWNGSA-N 384.454 -0.787 30 20 GBED O=C(Cn1cnnn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798494133 FQHDSFGGVIFOBO-BVTUPROGSA-N 391.432 -0.160 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cncn3c1)C2 1800777263 NIDOUIPXGRNXBX-ZSBFGKGUSA-N 382.376 -0.375 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)C(O)O)CC1 1823744143 VHARQTNFFAQEIZ-XHPSBEMXSA-N 379.457 -0.225 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCOC3)C2)C1 1831402494 IVCYUPJCHCTYDD-FUHIMQAGSA-N 394.468 -0.092 30 20 GBED C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1831614253 GWGAQCUWMISAIC-KUHUBIRLSA-N 392.456 -0.352 30 20 GBED N#CCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)N3CCOCC3)CC2)CC1 1835762025 AVIIMGWXNMXOIV-IBGZPJMESA-N 393.488 -0.878 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836064741 AHGRYKQVRUQEMP-SUMWQHHRSA-N 382.486 -0.263 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNC(=S)NC)CCO2 1837467132 CZWOAOBFVNTCFW-KRWDZBQOSA-N 384.502 -0.497 30 20 GBED CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840157569 UTUAXHQHDDSARE-YVEFUNNKSA-N 387.502 -0.324 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1840174266 RIPSDYQJYLAKNO-SFHVURJKSA-N 390.396 -0.179 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1844235458 DJGMCWPJJMCPRN-RYUDHWBXSA-N 378.429 -0.639 30 20 GBED Cn1c(=O)c2nc(CN3CCN(c4ccc(C#N)cn4)CC3)[nH]c2n(C)c1=O 193767945 QIHXPHUUIMDSKD-UHFFFAOYSA-N 380.412 -0.451 30 20 GBED C[C@H]1CN(/C(=N/C2CC2)NCC(=O)N(C)C)CCN1c1nccn2cnnc12 262296600 MMQPTFRBPFAIKI-ZDUSSCGKSA-N 385.476 -0.169 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccsc2C(=O)OC)CC1 269750868 YTPBLBMJQYHWNH-UHFFFAOYSA-N 399.494 -0.020 30 20 GBED CN(C/C(O)=N/[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(c2ccn(C)n2)C1=O 329007376 YGQXXIMGLVQSLZ-CHWSQXEVSA-N 383.474 -0.009 30 20 GBED CN1C(O)=N[C@@H]2CN(/C(O)=N/[C@@H]3CC(=O)N(C)[C@H]3c3ccnn3C)CC[C@@H]21 329165788 HKVAKEVFLQZVKA-MCYUEQNJSA-N 375.433 -0.092 30 20 GBED CN(CC(=O)N1CCCS(=O)(=O)CC1)S(=O)(=O)c1ccc(C#N)cc1 329431618 HYGQIEWHQZRDGG-UHFFFAOYSA-N 385.467 -0.174 30 20 GBED CN1C(=O)CC[C@@H](/N=C(/O)N2CCN(S(C)(=O)=O)CC2)[C@@H]1c1ccnn1C 329490510 SMJNRCKSKHZPPV-IUODEOHRSA-N 398.489 -0.427 30 20 GBED CC1(O)CN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@H]2C#N)C1 349468910 WCLFOMSLBVVJQI-LLVKDONJSA-N 383.517 -0.956 30 20 GBED COc1ccnc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)n1 425898454 MEOXZPKLKZIVBW-UHFFFAOYSA-N 381.396 -0.283 30 20 GBED Cc1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c(=O)n(C)c1 446525711 AFRWVBGBJHNIPJ-UHFFFAOYSA-N 375.429 -0.293 30 20 GBED Cn1cc(S(=O)(=O)N2CC(O)(CC#N)C2)cc1C(=O)NCC(F)(F)F 479325566 VPKMHHXZBXAHHJ-UHFFFAOYSA-N 380.348 -0.034 30 20 GBED CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCC#CCO 510050093 NYOFEMAPLDNGOO-INIZCTEOSA-N 382.438 -0.127 30 20 GBED Cn1c(NCc2cccnc2N2CCC(C(N)=O)CC2)c(C#N)c(=O)n(C)c1=O 511456798 ZEQPPWAIAIUEEK-UHFFFAOYSA-N 397.439 -0.336 30 20 GBED CS(=O)(=O)C1(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCC1 527896191 PHBDHIAJDIGJIL-UHFFFAOYSA-N 381.414 -0.646 30 20 GBED CCOc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NCC#N)cc1OCC 588077804 VGUAKRSCJNLELP-UHFFFAOYSA-N 398.441 -0.482 30 20 GBED Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)c1C 592302416 SXMZGFVIBPVTEE-INIZCTEOSA-N 380.426 -0.234 30 20 GBED CC(=O)NCCN(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 592338907 GQMXXTHUMUVRJP-MRXNPFEDSA-N 385.424 -0.630 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)CC2)cc1 593389949 FSHNXGIOTBERKE-CQSZACIVSA-N 398.466 -0.917 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3[C@H]4CC[C@H]3CNC4)C2=O)cc1 596136405 UAWWZWIQCDSRLY-ULQDDVLXSA-N 381.436 -0.262 30 20 GBED COCCCNC(=O)[C@H](C#N)C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 739144341 RSVUQNDYTXDDPR-LLVKDONJSA-N 387.396 -0.584 30 20 GBED CC(C)N1C(=O)C[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 751400221 RJRMBPYVAHJVFM-LBPRGKRZSA-N 392.437 -0.233 30 20 GBED O=C(C#Cc1ccc2c(c1)OCO2)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 761998761 ZTYFKFASXVGCJQ-UHFFFAOYSA-N 397.387 -0.413 30 20 GBED COC(=O)c1ccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 771889264 ACPXEOPEACACAG-UHFFFAOYSA-N 394.409 -0.427 30 20 GBED COc1cc(C)c(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OC 771892363 QIFKYBLASIVDSV-UHFFFAOYSA-N 396.425 -0.278 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN2C(=O)C(F)(F)F)CC1 776648395 IKAAASDOMKFFJA-CYBMUJFWSA-N 388.390 -0.177 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1=O 798546526 ZMAPMRMSGZGBHT-JSGCOSHPSA-N 396.469 -0.603 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCCC(=O)OC)cc1 811833708 OBFCBTODQXIPOX-UHFFFAOYSA-N 382.394 -0.566 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCOC[C@@H]1C#N 820438047 GWUBWMAEDQLLMX-JQWIXIFHSA-N 391.413 -0.716 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(CCN2CCOCC2)CC(=O)O)CC1 833466289 CWGGIKKBUBXOEX-QGZVFWFLSA-N 395.504 -0.602 30 20 GBED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)C1(n2cnnn2)CCOCC1 850952453 PXEWNJPGIXZMPM-UHFFFAOYSA-N 392.397 -0.436 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3CCCNC3=O)CC2)o1 915433166 JXZWRQDBYCHVAN-UHFFFAOYSA-N 390.400 -0.538 30 20 GBED O=C(N[C@@H]1CC(=O)N(C2CN(C(=O)C#CC3CC3)C2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 995487679 MRTCYRMXNVXGGF-LHFCKMJTSA-N 383.448 -0.249 30 20 GBED CN(CC(=O)N1CCN(c2ccnc(C#N)n2)CC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1096913581 LTXFLSZXHPQNSC-GELUBGBASA-N 396.451 -0.121 30 20 GBED C=C(Br)CNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 1117291489 HXDOALVLHPTQDE-UHFFFAOYSA-N 396.307 -0.364 30 20 GBED N#C[C@H](C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)N1CCCC1 1122706589 AVLFFKIRUQUJFD-VXGBXAGGSA-N 380.426 -0.517 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C[C@@H]3COC(=O)C3)CC2)o1 1319795406 CRGCHUBKCBNOGM-GFCCVEGCSA-N 376.369 0.000 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)nn1 1326226053 KCERFXGNJKUZCL-UHFFFAOYSA-N 398.471 -0.457 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)C1 1326863704 PQKKLGCRQCLHIC-QGZVFWFLSA-N 394.453 -0.901 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 1329794129 CDVAJIPENGYYJV-ZDUSSCGKSA-N 377.401 -0.664 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 1330521748 OIIVTKWUCNMMJN-RBSFLKMASA-N 377.422 -0.410 30 20 GBED COCCO[C@@H]1CCCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1342101521 VMYKYUIFMPJILJ-JFVSRZABSA-N 394.428 -0.717 30 20 GBED C#CCOCCNC(=O)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 1344907592 COUZMEXEILQRNI-UHFFFAOYSA-N 386.452 -0.028 30 20 GBED COc1ccc(CN(CCO)C(=O)C(=O)N2CCO[C@@H](C#N)C2)c(OC)c1 1348240134 NTGUIMNNDPTBKM-HNNXBMFYSA-N 377.397 -0.224 30 20 GBED CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1552888504 UWJLZBMGQPQTPL-XHDPSFHLSA-N 399.452 -0.437 30 20 GBED C#CC[C@H](COC)NC(=O)N1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 1588334541 ZSUAEHOESMFYNL-CYBMUJFWSA-N 387.448 -0.221 30 20 GBED C#CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C(=O)O 1588413622 DEXLHVNXDKIHOY-AWEZNQCLSA-N 396.421 -0.078 30 20 GBED C=CCNC(=O)NC(=O)CN[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588658215 CBDPQWSHHRKIQQ-AOOOYVTPSA-N 387.404 -0.943 30 20 GBED N#Cc1c(N2CCN([C@]3(C(=O)O)CCOC3)CC2)cccc1S(N)(=O)=O 1601083391 XWAFUQQQDMIKAS-MRXNPFEDSA-N 380.426 -0.429 30 20 GBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN(c4ccc(-c5nn[nH]n5)cn4)C[C@@H]32)nn1 1602882209 CGQPUOFSNXKNEE-JYAVWHMHSA-N 378.400 -0.096 30 20 GBED CC(C)N(CCCNC(=O)Cn1cnc(-c2nn[nH]n2)c1C#N)S(C)(=O)=O 1603320272 LXCZKSYPLHJBPO-UHFFFAOYSA-N 395.449 -0.889 30 20 GBED N#Cc1ncn(CCNC(=O)N2CCN(c3ccsc3-c3nn[nH]n3)CC2)n1 1606398475 FLBJNODJZFJWPT-UHFFFAOYSA-N 399.444 -0.077 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCNC[C@@H](O)COc1ccccc1-c1nn[nH]n1 1607036858 BRPWWJBKDUPUDI-XCHVRBFASA-N 399.411 -0.278 30 20 GBED COc1ccccc1NC(=O)CN1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1655308800 SYEUFKVMDMWMAL-UHFFFAOYSA-N 398.423 -0.285 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CS(=O)(=O)CCC)C[C@H]1OC 1757148984 YKVOBNHGEIUBJQ-APIJFGDWSA-N 388.486 -0.256 30 20 GBED COC(OC)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014240 BMYKFAPPOARVHK-LPGQDOADSA-N 382.461 -0.093 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779093705 ADOQAEKDRBNYHD-WDYCEAGBSA-N 381.473 -0.321 30 20 GBED CC(C)N[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C(C)C 1783562937 SLUYTILUPYZFIW-MJGOQNOKSA-N 379.457 -0.073 30 20 GBED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1783887433 YMKWCWUPSFMJHD-YVEFUNNKSA-N 381.454 -0.550 30 20 GBED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1791279734 BKQUYLVKTPLYMC-ULMVMLMRSA-N 392.452 -0.005 30 20 GBED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=N)N)C3)c1 1799746437 JFEQMBDBCMELQP-DRXBFXEBSA-N 388.403 -0.616 30 20 GBED C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1)n1cnnn1 1825675072 UCQQHJXHWRBYBE-DTWKUNHWSA-N 389.397 -0.609 30 20 GBED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1831412636 UXKAAOYWSJIWHR-QFBILLFUSA-N 397.472 -0.440 30 20 GBED Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)n1 1833083958 SKVXLXRPHZRXNH-SFHVURJKSA-N 375.429 -0.048 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H](C(=O)OC)C3)C2)C1 1839805257 GBSRNUUCDNQZMY-ZRGWGRIASA-N 378.425 -0.335 30 20 GBED CC(=O)C[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043990 GXQNZOHEOUJIPM-ACJLOTCBSA-N 380.397 -0.854 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1840167167 BJFCKQSTLCSYOR-SFHVURJKSA-N 375.429 -0.462 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](COC(C)=O)OC(C)=O)C1 1844284488 ANYKKWORGNLCRM-BBRMVZONSA-N 394.424 -0.277 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)C1=O 66480830 XQNYJSGRHIZKKJ-CYBMUJFWSA-N 392.412 -0.797 30 20 GBED COC(=O)CN(CC(=O)OC)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 67275549 OUOVMPXVVWNJAQ-UHFFFAOYSA-N 382.394 -0.352 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)C2(NC(=O)NCC)CCCC2)CC1 265023812 NWHBTNZWUBABII-UHFFFAOYSA-N 377.489 -0.098 30 20 GBED C[C@@H](CN1CCN(C)CC1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 268812637 BHCOLUYIESKLNQ-GJZGRUSLSA-N 393.513 -0.023 30 20 GBED C=CC[C@@H](CO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 273457965 HKYDZGSWJCMJRJ-OBJOEFQTSA-N 399.425 -0.228 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ncc(F)cn3)CC2)C1=O 273742431 UYXYOWNFGDTNNO-UHFFFAOYSA-N 376.348 -0.759 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 292252502 DOWQXNXOKUQTPA-DZGCQCFKSA-N 392.456 -0.967 30 20 GBED CN(C/C(O)=N/CCS(=O)(=O)N1CCSCC1)[C@H]1CCS(=O)(=O)C1 328765008 DVRMWAIXLZKQHY-LBPRGKRZSA-N 399.560 -0.560 30 20 GBED C[C@H]1COCCN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)C2CC2)C1 349486148 ALEBKDCVECTXOL-CYBMUJFWSA-N 379.504 -0.008 30 20 GBED C[C@@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)Nc1ccc2ncnn2c1 349577136 UCMHJYGUJVWGSG-NSHDSACASA-N 386.459 -0.060 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](OCCN3CCCC3)C2)C1=O 443807217 VQGDXILMXKIZSW-AWEZNQCLSA-N 378.429 -0.324 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(CC(N)=O)cc1 446528354 VGGAFFZRNOVGBB-UHFFFAOYSA-N 387.440 -0.273 30 20 GBED CCN(CCC#N)S(=O)(=O)N(CCN1CCN(C)CC1)CC(=O)OC 499752509 ZRTXTSRANCJZIA-UHFFFAOYSA-N 375.495 -0.811 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCCCN2C(=O)c3ccccc3C2=O)CCO1 510561001 ULAZQOMNLNUXJM-GFCCVEGCSA-N 378.410 -0.269 30 20 GBED COCCN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1=O 512143152 DESHZUZTCYESJE-UHFFFAOYSA-N 394.453 -0.272 30 20 GBED C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 531271585 ZVSZMQOELYNVQM-RYUDHWBXSA-N 390.487 -0.711 30 20 GBED CCOc1ccc(N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)nn1 595220185 GLCCMAIJUPTIJN-UHFFFAOYSA-N 398.427 0.273 30 20 GBED COCC(=O)N1CCN(C(=O)C(=O)Nc2cc(OC)c(C#N)cc2F)CC1 599932987 AVRILRSAUNJUHQ-UHFFFAOYSA-N 378.360 -0.038 30 20 GBED C[C@@H](CC(=O)Nc1cnn(CC(N)=O)c1)/N=C1/NS(=O)(=O)c2ccccc21 742542933 AVPBVYLFWYKPRN-JTQLQIEISA-N 390.425 -0.176 30 20 GBED CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 746366128 YZDNWBSUUDUELT-UHFFFAOYSA-N 389.460 -0.252 30 20 GBED CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN(CC#N)CC(=O)OC)C1=O 746454516 BZOSVHAXUDVDMY-SFHVURJKSA-N 387.396 -0.127 30 20 GBED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)nc1 748557329 BXDAVSBEQHVNJU-UHFFFAOYSA-N 388.409 -0.233 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[C@@H]1CCCO1 793585596 BTLFYJXBXXNTSL-KBPBESRZSA-N 375.429 -0.816 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)[C@H]1CCCO1 809312075 LJIIJFSUSDOHFB-JKSUJKDBSA-N 384.440 -0.454 30 20 GBED C=CCC1(S(=O)(=O)NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 810985298 HCPVHBWNJTXFJW-UHFFFAOYSA-N 378.410 -0.200 30 20 GBED N#Cc1nc(N)n(CC(=O)NCCN2CCc3ccccc32)c1-c1nn[nH]n1 826387557 BOGSPPIUDIVIMW-UHFFFAOYSA-N 378.400 -0.304 30 20 GBED CN1CC[C@@H](C(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)S1(=O)=O 842771158 HCLQPVJVJBEADE-STQMWFEESA-N 380.382 -0.046 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CC[C@@H](N3CCOC3=O)C2)CC1 850691852 JUVVYTHLWNSCNC-OAHLLOKOSA-N 398.423 -0.345 30 20 GBED C=C(CNC(=O)/C=C/CN1CCOCC1)CNC(=O)/C=C/CN1CCOCC1 869305378 IOSSOVWPXCIFJB-ZUVMSYQZSA-N 392.500 -0.448 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(CC(=O)NC)c2)c1 918353803 SAAALGYQCWWJIH-UHFFFAOYSA-N 375.410 -0.207 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC1(CO)CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1 1081010492 FBVJSPFNTONKCL-FPCVCCKLSA-N 393.484 -0.038 30 20 GBED CCc1nc(C#N)cc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CS(=O)(=O)NC)n1 1092977339 MPDNWZAORTUACD-UPJWGTAASA-N 378.458 -0.314 30 20 GBED CC#CCN1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)[C@@H]2CS(=O)(=O)C[C@@H]21 1094647941 HYDVZEWYSDKAAV-SMLCLMEVSA-N 382.482 -0.629 30 20 GBED N#Cc1ccnc(N2CCN(c3nnnn3CCCN3CCOCC3)CC2)c1 1119647255 IODLRIAZWQLKQF-UHFFFAOYSA-N 383.460 -0.011 30 20 GBED CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](c2cn(C)cn2)C1 1130630346 MSTAMHYXBVDYIX-WTTBNOFXSA-N 388.472 -0.241 30 20 GBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CCN(C)CC1 1206985108 PMPKHMGUDPOEDN-MYZZLAAOSA-N 391.516 -0.190 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H](OC)C1 1213464899 LUUYEBSUFUCLFA-ARILJUKYSA-N 380.445 -0.619 30 20 GBED Cc1cn(C)c(CC(=O)N2CC(O)(CC#N)C2)c1C(=O)N1CC(O)(CC#N)C1 1321207663 PGJLTFCWIDMANR-UHFFFAOYSA-N 385.424 -0.536 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 1322791438 BXDZAQWUSSFIQO-AWEZNQCLSA-N 399.469 -0.767 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3nnnn3C3CC3)CC2)c(F)c1 1323563868 YZXYZEMKYQBHHQ-UHFFFAOYSA-N 398.402 -0.016 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCOCCN(C)C 1323575100 XRNYMMDYOIDRIE-AWEZNQCLSA-N 389.460 -0.920 30 20 GBED CN(CC(=O)N1CCCC1)C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1330350894 XQIHHVDIEZKYEG-UHFFFAOYSA-N 384.440 -0.317 30 20 GBED COC(=O)[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 1334347292 HAIGCIMHHIDLLQ-JHJVBQTASA-N 386.412 -0.547 30 20 GBED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)N[C@@](C)(C#N)CN(C)C 1349498049 AHCMXXJIZDJMAT-KRWDZBQOSA-N 382.432 -0.176 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2O)nc1 1573287522 JGWUFDDTSIATBW-TZMCWYRMSA-N 391.395 -0.597 30 20 GBED N#Cc1cc(C(=O)N2CCO[C@@H](CN=c3cc[nH]c(-c4nn[nH]n4)n3)C2)c[nH]1 1581864465 WYVKSYUWXAXRMH-LBPRGKRZSA-N 380.372 -0.769 30 20 GBED C#CCNC(=O)[C@H](C)NCC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588353222 KXZVIIXNYYHCEN-QWHCGFSZSA-N 384.444 -0.226 30 20 GBED C#Cc1cncc(C(=O)N(C)C[C@H](O)CNc2cnc(-c3nn[nH]n3)cn2)c1 1588376289 DKXDIPMGUMPPJH-CYBMUJFWSA-N 379.384 -0.422 30 20 GBED C=CCCOCC(=O)NC[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)CCCO1 1588615969 PJYJKACQFLLWFP-CYBMUJFWSA-N 388.432 -0.039 30 20 GBED C[C@@H](CC(=O)O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1592410721 NUEKKYXLGZASSC-ZDUSSCGKSA-N 394.453 -0.156 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@H]1CN(c2ccc(-c3nn[nH]n3)nn2)CCCO1 1602795306 ZJCNZEPVTWHQQI-SJCJKPOMSA-N 388.432 -0.305 30 20 GBED N#CCSCC(=O)NC[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCCO1 1606350876 GDNQUMJFSNOKFQ-NSHDSACASA-N 389.445 -0.375 30 20 GBED COCC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1749614112 KKXGAVVNFKUAAF-KSSFIOAISA-N 392.460 -0.083 30 20 GBED COC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779137872 KTLUJPKBEBBSAB-ABQTWSPHSA-N 392.412 -0.116 30 20 GBED C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1784517689 MJQZXDSKGUXGMT-AJNGGQMLSA-N 397.497 -0.049 30 20 GBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCO2 1785420740 GWCVPPYNFNKUMP-WMLDXEAASA-N 385.486 -0.443 30 20 GBED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2 1793257008 MQKHVFBAZMDNRG-YVWYUNDQSA-N 385.420 -0.696 30 20 GBED COC(OC)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1803354613 DGSTZOIQHISMPS-XJKSGUPXSA-N 375.381 -0.206 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1810226864 OQMAFDBJEJYOQV-SJCJKPOMSA-N 383.364 -0.949 30 20 GBED CS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812876150 CPBSMSBWXLURMZ-GUYCJALGSA-N 393.421 -0.780 30 20 GBED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)n1cncn1 1831225440 UGIGULQEKUTJOL-BEFAXECRSA-N 387.440 -0.291 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[nH]n3)C2)C1 1831386590 AWDLQMMSJMTFPG-KDOFPFPSSA-N 376.413 -0.482 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)c1cccs1)CCO2 1833033167 QBMQURXOBQKZEV-SFHVURJKSA-N 391.449 -0.433 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CNC(=N)N)CC2)CC1 1836857368 NDXUMJWLLJBSGB-CQSZACIVSA-N 393.488 -0.494 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CC)C2)C1 1839173115 ARNSFYVBQYRNNJ-KXBFYZLASA-N 398.456 -0.277 30 20 GBED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840918040 CNYUQMLXRWKFHQ-IBGZPJMESA-N 394.472 -0.121 30 20 GBED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1)C(F)(F)F 1840921493 AXPPNWRHKWPIFF-AWEZNQCLSA-N 394.350 -0.770 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@@H](C)n1cnnn1)C2 1845189707 HNNDRJYUIKIECG-CYBMUJFWSA-N 376.417 -0.053 30 20 GBED CCN(C[C@H](C)C#N)C(=O)CN1CCN([C@H](C)C(=O)N2CCOCC2)CC1 68849501 QXRNPVCQRVFMIL-IAGOWNOFSA-N 379.505 -0.141 30 20 GBED COc1cccc(CC(=O)N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c1 68998008 CIOLCGQJPARGJD-UHFFFAOYSA-N 397.435 -0.144 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(CCCN2C(=O)CNC2=O)CC1 108221353 LRFAKGFCNITLRG-UHFFFAOYSA-N 391.453 -0.194 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCCN2CCC[C@@H]2C(N)=O)c1 264608610 YUNZTCNKQLKVNJ-MRXNPFEDSA-N 392.481 -0.332 30 20 GBED CCn1nccc1/C=c1\s/c(=C(/C#N)C(=O)N2CCOCC2)n(CC)c1=O 270109616 YRCJZJLLDHHWSG-OWMWEOKGSA-N 387.465 -0.492 30 20 GBED C=CCNc1ncc(C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)s1 276545749 XAGJIVYOBXQXDZ-UHFFFAOYSA-N 391.457 -0.157 30 20 GBED N#Cc1ncccc1S(=O)(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 277070158 SLQJYZLRCPQOEL-UHFFFAOYSA-N 377.426 -0.591 30 20 GBED C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCS1(=O)=O 290333237 CTPXUBGFOHBVRA-GFCCVEGCSA-N 385.467 -0.128 30 20 GBED COCCCN(CCO)C(=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 297840265 MIHDVQUOFYQLQT-OAHLLOKOSA-N 376.413 -0.210 30 20 GBED C=CCn1c(=O)/c(=C/c2ccnn2C)s/c1=C(\C#N)C(=O)NCCCOC 298315672 QTEJWGWDBQZLMN-VMGXVOIUSA-N 387.465 -0.515 30 20 GBED CC(C)(C)OC(=O)N1CCN2/C(=N\CCN3CCCS3(=O)=O)NC[C@@H]2C1 304983634 AJPWRJWWGDPAQI-CYBMUJFWSA-N 387.506 -0.098 30 20 GBED C[C@@H](CN1CCN(C)CC1)/N=C(/O)N1CCN(C(=O)CN2CCOCC2)CC1 329136640 CWNBLNYLASPMFC-KRWDZBQOSA-N 396.536 -0.987 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C 329701067 HFSTXAMUVCSWOY-VBNZEHGJSA-N 378.454 -0.234 30 20 GBED CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](CO)C1 349523221 LJUZUPSKWRJKES-TZMCWYRMSA-N 379.504 -0.368 30 20 GBED N#C[C@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 366010429 XQHRQMCBVAUTRO-YPMHNXCESA-N 378.410 -0.562 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CCN 418837197 VXLFCLZJYCDDCZ-ZOBUZTSGSA-N 380.489 -0.070 30 20 GBED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)cc(C#N)c2)CC1 453700222 RYDRLNLPZISASE-UHFFFAOYSA-N 387.440 -0.288 30 20 GBED COC(=O)[C@@H]1C[C@H](O)CN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 473191302 MOCRXAZNIKFCRG-JSGCOSHPSA-N 377.401 -0.889 30 20 GBED Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CCN(c2cccc(C#N)n2)CC1 487163392 SJNCLUSTRYSJDV-UHFFFAOYSA-N 388.453 -0.170 30 20 GBED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)cc1 523034910 YUXHSCILPVUJMY-UHFFFAOYSA-N 388.384 -0.399 30 20 GBED C[C@@](O)(CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)CN1CCOCC1 564258915 AATXJZVUONBLKZ-QGZVFWFLSA-N 396.469 -0.964 30 20 GBED C[C@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)CCN1C 581618261 WBHLFUANMRBNEY-STQMWFEESA-N 380.536 -0.048 30 20 GBED C[C@H]1CN(C(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC(=O)N1 590979361 MZNZJWCSJOMAHD-NSHDSACASA-N 386.412 -0.581 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(-c3cccnc3)nn2CCO)C1=O 683718111 RLGMIEGVCXNYLS-UHFFFAOYSA-N 398.379 -0.147 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(C(=O)NC2CCN(CC#N)CC2)CC1 730583212 KMNNAEZEEIQLDN-UHFFFAOYSA-N 386.522 -0.112 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)CC1 733149022 VHLOQKSPRFRABJ-UHFFFAOYSA-N 392.481 -0.840 30 20 GBED CCOc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(O)c1 771890376 GKYIIYOHBLWZQE-UHFFFAOYSA-N 382.398 -0.499 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)nn3c(C)cc(C)nc23)CC1 831556817 VGNJNDBKEYELPQ-UHFFFAOYSA-N 390.469 -0.120 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@@H]2CC(C(N)=O)=NO2)C1 838551052 DTRAGJPNBKJXJU-NHCYSSNCSA-N 380.405 -0.325 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCO[C@@H](c3ccnn3C)C2)C1=O 910692379 KBDROFWXRNAFGR-LSDHHAIUSA-N 375.429 -0.435 30 20 GBED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)Cn2ccc(=O)n(C)c2=O)cc1 917035968 UGTCNDXVMBKIJC-HNNXBMFYSA-N 384.392 -0.377 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@H](OC)C2)nc1 946781413 SKKGHQDPVANVNV-XOSAIJSUSA-N 384.436 -0.257 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(CCOC)nn2)C1 963072302 AAGVMVMQVQWFOD-VDERGJSUSA-N 393.444 -0.793 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)nc2COC)C1 968319136 CEPLBFFVSXVEKS-OYNZBZHQSA-N 378.429 -0.541 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)[C@@H]2C1 972106908 ZMVCWRRGDQVWED-TUVASFSCSA-N 375.425 -0.214 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CC(=O)N(C)C1=O 1004330622 FZBDLLAXVQJGCC-ZSAUSMIDSA-N 390.440 -0.280 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnc3nc(C)nn23)C1 1024759515 JQCNBJIFKNUPJD-GBOPCIDUSA-N 386.412 -0.675 30 20 GBED N#Cc1cnc(N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c(F)c1 1051462269 XJZQKIXTDJWQDZ-WVWOOGAGSA-N 384.375 -0.649 30 20 GBED C#CCOCCC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1074654605 UBQQPQZBVDXZFO-OCABDXPQSA-N 376.453 -0.081 30 20 GBED N#Cc1cncc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CCc2nnc(O)nc2O)n1 1093061100 IFKQJVQPEXKWIE-RTXFEEFZSA-N 382.384 -0.197 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CNCC(=O)N2CCNC(=O)C2)C1 1106680811 JTMYDMKZAUOPKK-FPCVCCKLSA-N 378.473 -0.780 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cccc(F)c1 1205434737 QACYWONPGBFYCM-LTIDMASMSA-N 386.427 -0.420 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC2(CS(C)(=O)=O)CC2)C[C@@H]1O 1219656280 VCCITRLOSKHYEG-WCVJEAGWSA-N 386.514 -0.046 30 20 GBED CCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 1252775837 LWVFUGJHQIAMKJ-UHFFFAOYSA-N 382.446 -0.334 30 20 GBED N#Cc1ccc(CCNC(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1 1261698418 IMTDESQOXNGWPX-LJQANCHMSA-N 399.495 -0.260 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 1261713525 PIWWCMJCSWSSKJ-UHFFFAOYSA-N 396.494 -0.015 30 20 GBED CCN(C1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1)S(C)(=O)=O 1321232835 XBAQBLNLFGYACM-CYBMUJFWSA-N 380.492 -0.799 30 20 GBED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)NCCCOC 1322421373 BTTCMSGJVSSURZ-UHFFFAOYSA-N 380.430 -0.153 30 20 GBED CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCc2cccc(OCC#N)c2)C1 1322829082 UHHFJEWDWOQZCV-AWEZNQCLSA-N 380.426 -0.645 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC1COC(C)(C)OC1 1322908551 HYRPASOGTOIGTK-GFCCVEGCSA-N 388.428 -0.347 30 20 GBED CN(C)S(=O)(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1324665127 GZJPMVSQFRIDKR-CYBMUJFWSA-N 379.442 -0.577 30 20 GBED C=CCOCCNC(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 1330760394 LDDAZPJZLJDQII-UHFFFAOYSA-N 387.380 -0.265 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)C1 1344630666 DCGVDHOOCLVRFY-LJQANCHMSA-N 393.463 -0.003 30 20 GBED CNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)C1 1344786183 FDPCHTBGYBSWEC-HNNXBMFYSA-N 384.440 -0.414 30 20 GBED C[C@H](C#N)C(=O)N(C)C[C@@H](O)CNC(=O)C1(Cc2cnn[nH]2)CCOCC1 1575177866 MQICRNICLUJYAQ-OCCSQVGLSA-N 378.433 -0.761 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@H]2[C@@H]3CN(c4nccnc4-c4nn[nH]n4)C[C@H]23)c1 1581863087 WNFGRZIFKTVHES-CNDDSTCGSA-N 376.384 -0.031 30 20 GBED N#Cc1cn(C2CN(C(=O)c3ccc(-c4nn[nH]n4)cc3F)C2)c(=O)nc1O 1581877155 TWWNZRHEEQJOIV-UHFFFAOYSA-N 382.315 -0.163 30 20 GBED C[C@@H]1CN(CCC(=O)O)CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1594515404 ODKOPHXMKFARPK-GFCCVEGCSA-N 394.453 -0.268 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@@H]2O)cn1 1602739990 SDVCZHBRBWSFST-KGLIPLIRSA-N 377.368 -0.988 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1778417990 ILLOCBITTKREIS-GOSISDBHSA-N 383.364 -0.511 30 20 GBED CN(C)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cn1 1783567349 XGDPOZAKPRQYMT-LJQANCHMSA-N 386.408 -0.321 30 20 GBED C=CCC(F)(F)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784118164 XJUFNSKRUIRQPH-KRWDZBQOSA-N 397.378 -0.047 30 20 GBED C[C@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788604199 VPMJOVVSSLMIRB-DNXTYWCXSA-N 393.488 -0.428 30 20 GBED CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1795360924 BPELOKWAQRJQSE-JJLQDPRZSA-N 380.426 -0.866 30 20 GBED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795422006 OFULLVPDGVQNEV-NEBZKDRISA-N 396.444 -0.277 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1829950428 OTMRDYKUJILSGP-KSSFIOAISA-N 378.429 -0.727 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCN(C)CC1)CCO2 1835405209 RVWQQBAFOSOAGG-HXUWFJFHSA-N 394.516 -0.344 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1835995193 MJPUNPXUJNMERK-IBGZPJMESA-N 388.424 -0.392 30 20 GBED Cn1c(=O)ccn(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1=O 268015280 QLPFQSAOHICUTG-LBPRGKRZSA-N 377.401 -0.482 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)c2ccc(CCNS(C)(=O)=O)cc2)C1=O 273195905 IBHUCKJPZNFLRG-UHFFFAOYSA-N 393.421 -0.062 30 20 GBED C=CCS(=O)(=O)CCNC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 273486341 LZNRVWBNTNISNM-UHFFFAOYSA-N 388.467 -0.116 30 20 GBED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCO[C@@H](C(=O)NC)C1)C(C)C 284012292 KPGCQWOQCDETOX-JKSUJKDBSA-N 380.489 -0.225 30 20 GBED CCc1cc(C(=O)N2CCN(C/C(O)=N/[C@H]3CCS(=O)(=O)C3)CC2)n[nH]1 329580886 LEMBYFXXVFTLPQ-ZDUSSCGKSA-N 383.474 -0.127 30 20 GBED C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)N(C)C1(C#N)CCC1 349457128 DJXVGGAQFQKMQR-CHWSQXEVSA-N 379.504 -0.131 30 20 GBED C[C@@H]1C(=O)NCCN1S(=O)(=O)CCCCS(=O)(=O)N(C)C(C)(C)C#N 349591049 NAUKRKSFFOHBQA-GFCCVEGCSA-N 394.519 -0.520 30 20 GBED N#CCNC(=O)CNC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 367913687 VUXHMYLVMSZEEB-LLVKDONJSA-N 385.471 -0.160 30 20 GBED COC(=O)CCN(C)S(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 375423006 ANYKTJNBBQFQPD-OAHLLOKOSA-N 394.453 -0.012 30 20 GBED CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 459920268 MFZSCYKXXCIHQV-LBPRGKRZSA-N 385.346 -0.017 30 20 GBED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCOC[C@H]2C#N)s1 464802885 VAEVPILBSLFRDE-LLVKDONJSA-N 386.455 -0.587 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)CN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O 477629974 VPKFLOUUAYBFSJ-SFHVURJKSA-N 393.444 -0.446 30 20 GBED CCN(CCOCCO)C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 519103522 OWHZIVJABUTBNA-UHFFFAOYSA-N 375.429 -0.541 30 20 GBED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2C)c1=O 523078721 DVAMGTCTYPUBMS-UHFFFAOYSA-N 387.465 -0.539 30 20 GBED CCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 532665267 ZWANMGXLOOJKST-UHFFFAOYSA-N 397.457 -0.553 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)Nc2ccn(CCN3CCOCC3)n2)cc1 548104142 LCIKFXPNBVDMMU-UHFFFAOYSA-N 382.424 0.455 30 20 GBED C=CCn1c(COC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 669814433 QMCTZYMYEPAKNW-UHFFFAOYSA-N 378.433 -0.882 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(CCOC)cc2)CC1 728589991 QFNZPAFAJRFAIB-UHFFFAOYSA-N 379.482 -0.069 30 20 GBED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C#N)o2)c1=O 758054426 YRSUDPUQMOEOEZ-GFCCVEGCSA-N 396.428 -0.338 30 20 GBED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@H]2CCCN(O)C2=O)c1 816757143 MLYOSDGAWTZDNS-CYBMUJFWSA-N 398.441 -0.837 30 20 GBED COCCCS(=O)(=O)NCCSc1nc(N)c(-c2nn[nH]n2)cc1C#N 821688477 MFZGPQFGUCWIEB-UHFFFAOYSA-N 398.474 -0.236 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1=O 823937008 DSZIHXZSQYQVIA-UHFFFAOYSA-N 397.395 -0.219 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(C)nc2C(F)(F)F)CC1 831556669 RUQJQUBBHDRNGD-UHFFFAOYSA-N 379.364 -0.336 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3nccnc3cc2F)CC1 831574196 AQLCCRUOWBABDU-UHFFFAOYSA-N 377.401 -0.006 30 20 GBED COc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CNC[C@@H]2C#N)cc1OC 834512014 QXWFUTROPUXNPC-WCQYABFASA-N 382.442 -0.400 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)OCCN2C(=O)N[C@H](C)C2=O)cc1 837406957 OLTCCEDYMHNAGR-LLVKDONJSA-N 379.394 -0.305 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCC2CCN(CC3CC3)CC2)CC1 895901944 YPWDWTAGSMCSAN-UHFFFAOYSA-N 397.545 -0.097 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cn3c(n2)COCC3)[C@H](OC)C1 942539489 SLWQVTPWKLMWKF-LUYZLQTOSA-N 390.440 -0.040 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C[C@H]2O)nc1 1024928150 RDHSURSGWKYZFI-GZOSKZMVSA-N 379.420 -0.098 30 20 GBED CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cc1 1261461346 JBNZUGBLRFWFJI-INIZCTEOSA-N 380.426 -0.449 30 20 GBED COC(=O)[C@@H]1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C(=O)OC)C1 1319951479 WYCFYLRWFNMPFL-VBMPLNBNSA-N 393.396 -0.144 30 20 GBED C[C@H](OC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)NC1(C#N)CCC1 1320762783 UESCYPQRQLSYTQ-YNEHKIRRSA-N 397.453 -0.484 30 20 GBED CN1CC(=O)N(c2cccc(NC(=O)C(=O)N3CC[C@](O)(CC#N)C3)c2)C1=O 1326088855 YVKIJGFZVNGWGJ-GOSISDBHSA-N 385.380 -0.099 30 20 GBED CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326228248 WAQSSPUJWGKDNX-QGZVFWFLSA-N 379.438 -0.074 30 20 GBED C=CCN(C)C(=O)C(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 1328284731 RZTRRAJMWYWMAQ-UHFFFAOYSA-N 380.470 -0.112 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3ncccn3)C2=O)cc1 1336156374 LTCRWIAEYYXROK-OAHLLOKOSA-N 378.392 -0.118 30 20 GBED Cc1nnnn1-c1ccc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 1341951842 VARQXRWAMFNKQI-CQSZACIVSA-N 388.409 -0.450 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 1345670230 RGFHSTBTYYITCO-HLLBOEOZSA-N 397.483 -0.062 30 20 GBED C=C(C)COCCNC(=O)C(=O)N1CCC(N(C)S(=O)(=O)CC)CC1 1347094956 MOTZDCYPPFHRMY-UHFFFAOYSA-N 375.491 -0.032 30 20 GBED CN(Cc1cnn(C)c1)C(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1350116252 ALYSZTUJCCPTMK-UHFFFAOYSA-N 384.440 -0.056 30 20 GBED CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1503119971 XKEHQTUNBNPLAD-SWLSCSKDSA-N 385.446 -0.907 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(c3ccc(-c4nn[nH]n4)cn3)C[C@@H]21 1573285422 HUAWDOUYLYSSGH-QSJFSLAZSA-N 378.440 -0.090 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@H]2O)cc1 1573289667 AVOBBWVISSQUHK-HUUCEWRRSA-N 376.380 -0.383 30 20 GBED C=C(C)CCC(=O)NCC1(NC(=O)CC(=O)NCc2cnn[nH]2)CCOCC1 1575049278 JKIKTGLRWOAGRD-UHFFFAOYSA-N 392.460 -0.051 30 20 GBED N#Cc1ccc(C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nn[nH]n4)nc3)C2)[nH]1 1581867408 HCMLNOWKZMWKPL-KRWDZBQOSA-N 379.384 -0.167 30 20 GBED CN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H]1CCN(CC(F)(F)F)C1=O 1585780787 OVBVIWLBRSZJLO-SNVBAGLBSA-N 387.318 -0.168 30 20 GBED C#CCN(CC(=O)O)C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 1602682058 DWWRBKPKBMKGNP-ZDUSSCGKSA-N 382.442 -0.026 30 20 GBED N#Cc1ccccc1N1CCC(NC(=O)N2CCN(CC(N)=O)C(=O)C2)CC1 1674968596 QHCHYZZNZZIIKW-UHFFFAOYSA-N 384.440 -0.134 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCS(C)(=O)=O 1723917642 XEULKUJPVAWJJL-MNOVXSKESA-N 392.507 -0.329 30 20 GBED COCc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1780079295 QRHVCFVPIBSCFY-SFHVURJKSA-N 375.381 -0.307 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1781400178 JAKDBXOOEIFLRL-CZUORRHYSA-N 379.421 -0.696 30 20 GBED Cc1nn[nH]c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010220 CQALFKZBRMJDFB-SJKOYZFVSA-N 375.385 -0.671 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=S)NCC)C2)C1 1782640453 REULCZPJXOTQSG-RDTXWAMCSA-N 398.529 -0.109 30 20 GBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1783054446 MYTOMPRMJXGXQG-LJQANCHMSA-N 397.391 -0.245 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1785411922 LHFVMUGIZPNXGY-SURYHPJPSA-N 391.424 -0.294 30 20 GBED NC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1785628774 BWQOJRAJTLVYAC-WPJYADHBSA-N 377.401 -0.803 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ncccn1)C2 1792484659 WCOCZAVQWBQCQK-CXMDPZGFSA-N 399.451 -0.533 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)CCC)C2 1793343977 GRDRXCXVHFJAPQ-FDPKGLCPSA-N 393.484 -0.081 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1793347035 VUABYAIKLLZCNQ-JGFGOLAASA-N 377.441 -0.860 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)cc1F 1799568698 VWZCRZVJSGDGDN-YQYWCBKUSA-N 376.340 -0.178 30 20 GBED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1 1800521778 NPHDMLKUQCAECL-ZXFNITATSA-N 379.457 -0.305 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1812876264 GKKVEGSAUOCVFE-LBTNJELSSA-N 384.392 -0.546 30 20 GBED CS(=O)(=O)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1822972733 ODNVYZNHZIWRMK-LBPRGKRZSA-N 396.425 -0.076 30 20 GBED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1831213345 PQEGAGSGEDWZIE-HXUWFJFHSA-N 391.468 -0.812 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=COCC3)C2)C1 1831402814 SBYHOMPKZNHHGD-BEFAXECRSA-N 378.425 -0.215 30 20 GBED Cn1nncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1833239036 NMOJYCCBVLSDRA-GOSISDBHSA-N 388.428 -0.421 30 20 GBED COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840158586 NITSORJELXEBGA-BBRMVZONSA-N 376.475 -0.576 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1840164821 HFVLLFGDDCEEGS-OXJNMPFZSA-N 391.468 -0.228 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1841601872 GLUOSYCPEIWXDJ-DLBZAZTESA-N 376.501 -0.136 30 20 GBED O=C(C#CC1CC1)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1847744060 ONFMQBOFDBFNFM-HOTGVXAUSA-N 379.482 -0.668 30 20 GBED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C 255397337 FLDMKLKYKJHKGP-UHFFFAOYSA-N 386.433 -0.043 30 20 GBED CC(C)/N=C(/NC[C@H]1CCS(=O)(=O)C1)N1CCN(C(C)(C)C(N)=O)CC1 262454595 WNVCDSBTAXXLPP-CQSZACIVSA-N 387.550 -0.343 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](CNC(C)=O)C2)cc1 265344450 ACHJIOVFFGJTPT-MRXNPFEDSA-N 388.424 -0.096 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)c1 270861684 LTHFVZVRZUWSIQ-CYBMUJFWSA-N 379.438 -0.737 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1=O 275504491 ZYWJSPMPVVRFMS-SECBINFHSA-N 390.318 -0.510 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N(CCOC)CC(=O)N(C)C)c1cc[nH]n1 278009279 OZFHCJUJTQJTJI-XDJHFCHBSA-N 383.405 -0.743 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CN2CCc3ccccc3C2=O)CC1 279300435 VLDXJGJMRWPHRU-UHFFFAOYSA-N 382.464 -0.031 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 281868143 UMPSTSJXWKWZQY-XJKSGUPXSA-N 392.460 -0.361 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)OC)C(=O)OC)cc1 298129993 COTABGQASPUQLM-ZDUSSCGKSA-N 384.410 -0.015 30 20 GBED O=C(C/N=C(/O)N1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCCC1 328876008 SIJGXTMEMWIQNG-UHFFFAOYSA-N 381.458 -0.076 30 20 GBED C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1ncccc1C#N 349455547 CWVTXAYKXSDHAC-YPMHNXCESA-N 388.471 -0.130 30 20 GBED CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)[C@H]1C 349528817 YNJBXZAIAQQPLS-VXGBXAGGSA-N 380.492 -0.910 30 20 GBED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 368723525 DZGGFVPSIDOBKS-ZBFHGGJFSA-N 380.422 -0.002 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 409510242 LYDLCIGTRANZCZ-QWHCGFSZSA-N 382.508 -0.599 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CC[C@H](N3CCNCC3)C2)CC1 423062740 UWEBQKUMDRRLQZ-SFHVURJKSA-N 396.495 -0.287 30 20 GBED N#CCCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 427892741 NOSLCVGYPLBYAY-UHFFFAOYSA-N 384.389 -0.185 30 20 GBED Cn1cc(S(=O)(=O)Nc2nnc(-c3cccc(C#N)c3)o2)c(=O)n(C)c1=O 430342470 XIVSULAGXTWPQX-UHFFFAOYSA-N 388.365 -0.194 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@H]2CCNC2=O)cc1 442269620 PBYGYKQCFMNWRP-AWEZNQCLSA-N 394.453 -0.222 30 20 GBED COC(=O)CN(CC#N)C(=O)[C@H]1CCC[C@H](C(=O)N(CC#N)CC(=O)OC)C1 508894167 FUPPIYJSQVPNCX-KBPBESRZSA-N 392.412 -0.157 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C 518592975 SHPYATMVQQKKKC-UHFFFAOYSA-N 379.388 -0.009 30 20 GBED CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 565842170 CNFUSTZZDGIDPM-NSHDSACASA-N 388.471 -0.366 30 20 GBED CCS(=O)(=O)N1CCC([C@@H](C)N(C)c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 569496609 RQJJXQJPUIMXPK-GFCCVEGCSA-N 397.501 -0.158 30 20 GBED CCNC(=O)COc1ccc(CNC(=O)NCC(=O)NCC#N)cc1OC 573350193 JMYTVBKYPWCYKB-UHFFFAOYSA-N 377.401 -0.351 30 20 GBED C[C@@H]1OCC[C@]1(O)CNS(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 578143238 GSZVYNVQAVNSMR-FZMZJTMJSA-N 389.455 -0.693 30 20 GBED COC(=O)C[C@@]1(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCOC1 579251170 ZXLMHSIPTSTVFB-INIZCTEOSA-N 381.410 -0.325 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1COCCO1 579979341 WAQRMOFGWLMYBB-NSHDSACASA-N 375.428 -0.818 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCn1cccnc1=O 582673134 CQTRLFIWOMWXAZ-ZDUSSCGKSA-N 389.437 -0.012 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762939299 DQTYHCKDPCNCGC-WDEREUQCSA-N 381.410 -0.867 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N1CCCC1=O 767680957 OGTIOQUQUWBJFR-LLVKDONJSA-N 379.394 -0.083 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2c[nH]c3ccc(C#N)cc23)c(=O)n(C)c1=O 771889825 KWVJRXHRXKNNLM-UHFFFAOYSA-N 386.393 -0.251 30 20 GBED C=C(C)[C@H](CC(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)OCC 778135353 FAJZEEOIQXKSRX-NEPJUHHUSA-N 376.431 -0.086 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 787792138 ZDXDWNKOWUEBKR-OAHLLOKOSA-N 386.456 -0.338 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)C1=O 799267429 LFYLBVVOHBFLFQ-MRXNPFEDSA-N 399.451 -0.193 30 20 GBED N#CCn1cc(NC(=O)C(=O)NCC(=O)NCCN2CCCCCC2)cn1 815774441 AELAXEVPVGEEJR-UHFFFAOYSA-N 375.433 -0.546 30 20 GBED C=CCONC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 835974419 ZRUUXKQQBNVWCQ-HNNXBMFYSA-N 375.381 -0.127 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@]1(C)CCOC1=O 848955806 IALPXFUECYCRKT-AWEZNQCLSA-N 387.439 -0.185 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 850605946 NKWJKPDRQZCZPE-OCCSQVGLSA-N 384.385 -0.296 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)nn2C)CC1 858941490 ABDXMINWKKHEAA-UHFFFAOYSA-N 393.391 -0.505 30 20 GBED C#CC[C@H](CCOC)NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 863790716 OALPVHQUGLYMAN-LLVKDONJSA-N 381.410 -0.214 30 20 GBED C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H]2OCCO[C@H]2C)cn1 960560455 VFQYPBLCSHBPRF-RUGDWHBFSA-N 385.420 -0.081 30 20 GBED O=C(C#CC1CC1)N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H]2CS(=O)(=O)C[C@H]21 995444921 FDMLCRFJLRTPJC-MTSZKFMLSA-N 392.477 -0.196 30 20 GBED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@@H]2CCS(=O)(=O)N2)c[nH]1 1002885208 XIRLRAMNGQAJIU-RQJABVFESA-N 377.426 -0.560 30 20 GBED CC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1083151139 KPOGCYZPOMYWQO-YDZRNGNQSA-N 377.485 -0.199 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)N2CCNC(=O)C2)[C@@H]1C 1088575790 HDDUAVIIGGFCFW-WCVJEAGWSA-N 378.473 -0.495 30 20 GBED CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)cc1 1109564232 IJPIJFLGHMZRMJ-PMPSAXMXSA-N 377.470 -0.166 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCC(=O)NCCCOC 1111262624 ZZXDNIHKIOTXCR-OAGGEKHMSA-N 378.473 -0.610 30 20 GBED C#CCNC(=O)[C@H](C)N1CCn2ncc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)c2C1 1128416679 LQDVTPBIEFTWFZ-KVGGFXGBSA-N 397.479 -0.124 30 20 GBED CC(=O)N1CCN(C(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)CC1 1261596613 FQKWYFGXSVLZAG-UHFFFAOYSA-N 387.440 -0.757 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1261710793 IIJIBCLAZNIUID-OAHLLOKOSA-N 395.481 -0.145 30 20 GBED N#Cc1ccc(NCC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)nc1 1293547293 XARKXGDBLLLCPW-CQSZACIVSA-N 381.458 -0.030 30 20 GBED COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 1319951478 WYCFYLRWFNMPFL-RNZSINEYSA-N 393.396 -0.144 30 20 GBED N#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](O)CN1CCCC1=O 1323896132 WQXSYYMPXWCURR-GFCCVEGCSA-N 378.360 -0.234 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)n1 1324402836 HKUGBGDVDSJPAJ-HZPDHXFCSA-N 389.456 -0.383 30 20 GBED CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(=O)NCCNc2ncccc2C#N)O1 1325559773 VFIZOOXGFHETGM-ZIAGYGMSSA-N 388.428 -0.767 30 20 GBED CN(C)C(=O)CN1CCN(C(=O)C(=O)NCc2ccc(C#N)c(F)c2)CC1 1326391700 SXXGXBMAYLSSEA-UHFFFAOYSA-N 375.404 -0.454 30 20 GBED CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326528609 AXNDHLZHKWIEMJ-CJNGLKHVSA-N 386.474 -0.816 30 20 GBED C#CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 1329064037 TZEAIVIBVWFEDV-UHFFFAOYSA-N 382.442 -0.346 30 20 GBED COc1ccnc(N2CCN(C(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)c1 1329273688 NZKJBXYNXQKTPW-MRXNPFEDSA-N 398.467 -0.062 30 20 GBED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@@H](CO)[C@H](CO)C1 1330114145 HCOJXSYZYILAIJ-STQMWFEESA-N 381.454 -0.436 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)n1 1339482070 OBASAEGHLMPSSA-UHFFFAOYSA-N 397.439 -0.021 30 20 GBED C=CCN(C(=O)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1)[C@H](C)COC 1350527653 LAFMRVKKVFULMW-MSOLQXFVSA-N 396.532 -0.051 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCC[C@@H]1C1OCCO1 1351584939 ZMBSIHPSAOCNMB-CYBMUJFWSA-N 388.428 -0.130 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1581855933 RAZUANACEQLWQH-RRFJBIMHSA-N 381.396 -0.335 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@H]2COCCN2c2cnc(-c3nn[nH]n3)cn2)c1 1581862374 AKTAHQJBVKGWRF-NSHDSACASA-N 380.372 -0.508 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@]1(CO)CCCN(c2cnc(-c3nn[nH]n3)cn2)C1 1588355706 LNCVVIGQOBGTDU-PXAZEXFGSA-N 386.416 -0.858 30 20 GBED C#CCN(C)C(=O)C(=O)N1C[C@@H](C(=O)O)C2(CN(C(=O)OC(C)(C)C)C2)C1 1588461748 ZRVZIPZICVGLBU-LBPRGKRZSA-N 379.413 -0.142 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[nH]n3)C[C@H]2O)nn1 1588620839 JKSYPWRAXGTTKT-TZMCWYRMSA-N 396.415 -0.591 30 20 GBED C=CCOCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O 1588675759 JOHKORHRKQYXKR-CABCVRRESA-N 376.392 -0.130 30 20 GBED N#Cc1cn(CC(=O)N2CC[C@H](C(=O)O)C[C@H]2[C@@H]2CCCO2)c(=O)nc1O 1601128696 BDRVQRBAQYXPKE-DRZSPHRISA-N 376.369 -0.309 30 20 GBED C#CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cc(C(=O)O)cs2)CC1 1602720576 ZLWGQOSHADHJMU-NSHDSACASA-N 385.467 -0.110 30 20 GBED C=CCn1cc(C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[nH]n3)nn2)nn1 1602882449 JUJGMPFRDZSNMZ-LLVKDONJSA-N 381.404 -0.167 30 20 GBED N#CCN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2)CC1 1606350405 VJTPLCGHMSDUGE-AWEZNQCLSA-N 380.412 -0.113 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)O)c2ccc3c(c2)CCO3)C1=O 1609373531 DTXCRYZXOYKRKZ-CQSZACIVSA-N 387.348 -0.160 30 20 GBED N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H]2COCCO2)CCO1 1712886372 QVCGPMGPBRHWIK-KBPBESRZSA-N 376.417 -0.455 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)C2CCCCC2)C[C@@H]1O 1757212641 QXGOECRLOZJEDF-NCOADZHNSA-N 393.484 -0.038 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NNC(=O)C2)C1 1779303309 AQOUUWSZGJGDJH-ZXYWRSMDSA-N 392.456 -0.033 30 20 GBED N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccnc2C(N)=O)C1 1779937808 XYECEBWASSMFSG-KZULUSFZSA-N 386.412 -0.383 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1783565362 SCHGXGJDZTUINW-GOSISDBHSA-N 383.364 -0.739 30 20 GBED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1783898436 RRHMOZDXERHWGZ-RNCFNFMXSA-N 383.392 -0.187 30 20 GBED C[C@H](CN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1786783593 OHLUMNDHCAZXKR-UGUYLWEFSA-N 379.505 -0.157 30 20 GBED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1)C(F)(F)F 1788557792 VBPQIUVUXAKCKH-NHCYSSNCSA-N 388.346 -0.040 30 20 GBED CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)COC1 1792621233 LXGBNHTXRDOAJA-QDMKHBRRSA-N 378.473 -0.106 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1793347036 VUABYAIKLLZCNQ-LBKYZSNHSA-N 377.441 -0.860 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC 1795720400 SIYLZVIFENLTRU-ZRWBKPHVSA-N 378.473 -0.568 30 20 GBED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)C2)cc1 1800519909 FGFLBOPRLYQJIH-LJCCNALRSA-N 396.447 -0.174 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830584101 DFJWUTCRGFKCNV-NWHAJJJESA-N 396.484 -0.213 30 20 GBED Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)c1=O 1831883624 DXIMCLQYCFLFBX-IBGZPJMESA-N 388.424 -0.241 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1835357268 OTURRZVSGSEGIJ-GOSISDBHSA-N 399.411 -0.502 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836132210 OWFUEBQOQKOXGJ-MAUKXSAKSA-N 393.444 -0.674 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccccn1)CCO2 1836194162 WTZXNUSRJXACNA-IBGZPJMESA-N 387.392 -0.832 30 20 GBED C[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837968235 CZULXWUFMYZWIH-GFCCVEGCSA-N 382.490 -0.010 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](NC)C(=O)O)C2)C1 1839840204 AFWBCIMUSFUWIX-DOXZYTNZSA-N 397.472 -0.282 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1839840975 PFGQVVCMNPAHAR-DOXZYTNZSA-N 379.457 -0.066 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CCNC(C)=O)CCO3)C2)C1 1839882627 PLRDCXJGEJEODI-IBGZPJMESA-N 379.457 -0.065 30 20 GBED Cc1noc(C)c1S(=O)(=O)NCC(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 19610694 QVYQQBSZBPBTCD-HNNXBMFYSA-N 384.414 -0.079 30 20 GBED C#CCNC(=O)[C@H](C)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 264100936 HNGUVIGFZMGCAK-AWEZNQCLSA-N 377.466 -0.014 30 20 GBED CCc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(C#N)c1CC 268176110 KRNGDSQXLXIIFC-UHFFFAOYSA-N 386.456 -0.020 30 20 GBED Cc1cccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1C#N 269738025 LWELRIYECILHFG-LBPRGKRZSA-N 385.467 -0.210 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(c2ncnc3c2cnn3C)CC1 283062730 UBHPZRHUHURJCX-GFCCVEGCSA-N 378.462 -0.036 30 20 GBED N#Cc1ccc(CNC(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)cc1 298439893 BWZKJLYEJFAGRZ-UHFFFAOYSA-N 385.468 -0.349 30 20 GBED CC(=O)N1CCN(CC/N=C(/O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 329603330 GHNPTZIFNVGJIC-SRABZTEZSA-N 392.456 -0.341 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 330650305 JJYWAIOPKWWJAX-HNAYVOBHSA-N 393.488 -0.568 30 20 GBED CNC(=O)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc(C#N)ccn1 349533159 PTJGDXACWLXIFU-UHFFFAOYSA-N 389.459 -0.907 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 349608692 NAARMGVPDNTQCW-VQJWOFKYSA-N 389.499 -0.187 30 20 GBED N#C[C@H]1CN(S(=O)(=O)c2cnc3nc(O)nc(O)c3c2)CCN1C1CC1 378059728 ONRQAMSVEDTICH-JTQLQIEISA-N 376.398 -0.203 30 20 GBED CCN(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H]1CCNC1=O 443246853 HYHYSQFVVDFACG-AWEZNQCLSA-N 384.371 0.559 30 20 GBED COC[C@H](C)n1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)n1 446532778 RRKCSRIUCPBBQL-HNNXBMFYSA-N 392.460 0.103 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC2(C(N)=O)C3CC4CC(C3)CC2C4)C1=O 458291250 VEZFYCXPVWMKFJ-UHFFFAOYSA-N 388.424 -0.240 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)C2=O)cc1 488265739 NNGUITGZILTZIC-HUUCEWRRSA-N 396.407 -0.395 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O 510493991 XPDFORSJRYMUOK-IUODEOHRSA-N 387.462 -0.454 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 539645584 QSXQBQJDCYLMBC-UHFFFAOYSA-N 389.412 -0.487 30 20 GBED N#CCNC(=O)CNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 553310070 CEKGDTZTCQNPHM-UHFFFAOYSA-N 379.170 -0.199 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3C)CC2)c1C#N 558641353 MQWROQDPSJBZFI-SMDDNHRTSA-N 380.474 -0.135 30 20 GBED N#CCCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 561362187 DHPSQHUMGXHTHN-UHFFFAOYSA-N 379.442 -0.275 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)cc1 570642426 POEDYEPPQGNPAM-HNNXBMFYSA-N 397.478 -0.032 30 20 GBED C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 580216637 APWAUTBKISDUDI-KPWVOAKYSA-N 393.512 -0.124 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN([C@@H]3CCOC3)CC2)c1 589448840 VAKXQVIZHHJBBI-OAHLLOKOSA-N 378.454 -0.230 30 20 GBED CN(C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@H]1C[C@@H](C(N)=O)C1 600074167 KEKZGZPKAUFYFG-HDJSIYSDSA-N 381.396 -0.141 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](O)[C@@H]1CCCO1 600760699 LALHTRJJJFYJLJ-RYUDHWBXSA-N 389.455 -0.693 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCOCC 725764513 WPBNZNUMWJHALO-UHFFFAOYSA-N 387.465 -0.515 30 20 GBED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cnn(C)c3)c2=O)cn1 726180336 GZVBGDNHYPXJOE-UHFFFAOYSA-N 383.437 -0.902 30 20 GBED C[C@H](C(=O)OCC(=O)N(C)C(C)(C)C#N)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745450346 ZMHUCNJGVJWMJG-AFCCXKIYSA-N 377.397 -0.159 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCc3cnccn3)C2=O)cc1 793488121 PLTPLTVNCKNIAP-QGZVFWFLSA-N 392.419 -0.076 30 20 GBED Cn1cc(N2CC[C@H](NC(=O)C(=O)NCc3cc(C#N)ccc3F)C2=O)cn1 807211971 MAWISNNFTBWXMZ-HNNXBMFYSA-N 384.371 -0.031 30 20 GBED C[C@@](C#N)(CC(=O)O)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 819842838 VLDHHIQBHIVHFD-AWEZNQCLSA-N 384.370 -0.006 30 20 GBED C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncc(C(N)=O)s1 848961151 QNPRZCGZRRWLFK-VIFPVBQESA-N 394.500 -0.343 30 20 GBED Cn1c(=O)c2cc(C(=O)NS(=O)(=O)c3cccc(C#N)c3)cnc2n(C)c1=O 916808903 ZXRRUAYUYIBREU-UHFFFAOYSA-N 399.388 -0.377 30 20 GBED C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)c2cc(C#N)c[nH]2)C1 960194326 AJWFIZJFJHBCNE-BQDHKBFISA-N 385.424 -0.147 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(OC)n(C)n2)C[C@H]1O 1023939593 HPAILPUTLNPSLY-DCDXPUDHSA-N 378.429 -0.289 30 20 GBED C[C@@H]1CC[C@H](C(=O)N2CCN(c3ccc(C#N)nn3)[C@H]3CS(=O)(=O)C[C@H]32)O1 1054788262 TYSCUDAXBGUWLB-FAAHXZRKSA-N 391.453 -0.270 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCN1CCC(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1055583388 LXTIKQDIQNDSAI-NCOADZHNSA-N 392.500 -0.214 30 20 GBED N#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)n1 1070588441 YTBBRVGCTDDICQ-RMRHIDDWSA-N 376.417 -0.631 30 20 GBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1121377052 OLQZEEFYAKNGLV-KBPBESRZSA-N 387.488 -0.143 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2CCSCC(C)C)CC1 1262423755 XBUHNTNELMPQJX-UHFFFAOYSA-N 387.535 -0.348 30 20 GBED C[C@@H]1C[C@@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C(=O)N1c1cnn(C)c1 1322236765 RZNSBAUNBGWNQG-XHVRLZQUSA-N 386.412 -0.053 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 1323586299 AKOVTHFHIQKFTI-QGZVFWFLSA-N 388.468 -0.236 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCOCC3(CCOCC3)C2)CCN1C1CC1 1329484221 OKMVNJDOUJJZCP-INIZCTEOSA-N 376.457 -0.159 30 20 GBED C=C(C)COCCNC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1329679806 BWLGZRRDIIYFSP-BYNSBNAKSA-N 375.425 -0.381 30 20 GBED CC(C)(C)OC(=O)N1CC2(CN(C(=O)Cn3cc(C#N)c(O)nc3=O)C2)C1 1558839882 RYQYISLWASKKPX-UHFFFAOYSA-N 375.385 -0.100 30 20 GBED C#CCOCCC(=O)N1CCO[C@@H]([C@@H](C)N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1588359408 NQDGLLYABZERNS-CHWSQXEVSA-N 386.416 -0.854 30 20 GBED C#Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nc1 1588368273 SLEPWCAGPRYLAP-LLVKDONJSA-N 380.368 -0.908 30 20 GBED C=CCNC(=O)NC(=O)CNC[C@@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588658442 KFEXAVCYEFYQNU-SNVBAGLBSA-N 389.420 -0.838 30 20 GBED N#CCSCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[nH]n3)cn2)C1 1606351107 NSRQKHSMCIQJNZ-INIZCTEOSA-N 388.457 -0.034 30 20 GBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)Nc1ccc(N2CCOCC2)cc1 1609496265 AMILCSFQDMMVPL-UHFFFAOYSA-N 394.399 -0.008 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OC)nn3)C2)C1 1779894566 UMRCGUOEXZTVAC-KUHUBIRLSA-N 388.424 -0.033 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1783565445 MOFVPEUYWNHGQP-MRXNPFEDSA-N 376.325 -0.546 30 20 GBED C[C@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1784599103 BHVTXLKAIPSQIV-DSRCVFDASA-N 387.440 -0.009 30 20 GBED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1785016795 QZDNVBBRWTUQSI-OBJOEFQTSA-N 380.470 -0.239 30 20 GBED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793945636 RGCUAVHQLQPTFU-WHPHWUKISA-N 378.429 -0.614 30 20 GBED CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1795359315 FJOGMQNRQVTJPF-ONPPZIAASA-N 397.453 -0.667 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOC1=O 1797164407 MEIFHILNYBMZGP-PNBKFKSVSA-N 393.440 -0.543 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C 1799369607 AGTFMRHAEGGKFZ-JBXGNFEISA-N 377.441 -0.765 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncncc3c1)C2 1800777391 RNPBPUGVSRJONX-CCWDJLKJSA-N 394.387 -0.079 30 20 GBED N=C(N)SCC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825664933 SJOWWCGRFDHHMK-SSDOTTSWSA-N 381.439 -0.230 30 20 GBED C[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)n1ccnn1 1830061391 ATQXHGXDIYDMHT-KBXCAEBGSA-N 390.444 -0.155 30 20 GBED CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1831334333 BKUIDUUOLXBHMK-QGZVFWFLSA-N 399.469 -0.819 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN(C)C)C2)C1 1831392102 ZWPGOOCNSVIYQA-VQIMIIECSA-N 381.473 -0.567 30 20 GBED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834761022 PCYVPHZKVUQHCM-SUMWQHHRSA-N 381.433 -0.936 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1839867253 HGFLIUKSLNOLGN-CLCXKQKWSA-N 395.456 -0.830 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1840164529 MZTRBQDOJLYJPC-XHDPSFHLSA-N 392.499 -0.421 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)COC)CC2)cc1 49246964 VUSUTPKCYVEBHJ-UHFFFAOYSA-N 379.438 -0.471 30 20 GBED CC1C[C@@H](C(=O)N2CCN(CC#N)CC2)[C@H](C(=O)N2CCN(CC#N)CC2)C1 186091048 ZUYHJFNNVJCQTA-QZTJIDSGSA-N 386.500 -0.016 30 20 GBED Cn1nc(Br)c2c(=O)n(CC(=O)N3CCN(CC#N)CC3)cnc21 266699637 OQCJECLQLHTNLH-UHFFFAOYSA-N 394.233 -0.440 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)Cn2cc(Br)c(O)nc2=O)C1=O 281841804 XFLCZHSKBQJOBO-JTQLQIEISA-N 385.218 -0.043 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCNC(=O)[C@H]1C 349472803 QUCHNAVBEBVAFK-WDEREUQCSA-N 386.455 -0.614 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCc2c[nH]nc2C1 349473486 IHEAPVZWTDELLL-LLVKDONJSA-N 375.476 -0.339 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 349475385 MQONHGDKFMVHGS-ODXJTPSBSA-N 377.488 -0.353 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[S@](=O)[C@H](C)[C@H]1C 349481263 OEWOCYXOEMSXQC-PHYLKHFNSA-N 399.560 -0.279 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nn(C)cc2C#N)C[C@H]1O 349523790 MLPYONMDFDCZBB-ZYHUDNBSSA-N 391.475 -0.934 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 349559511 WDXIXBIKVMOGTE-IHRRRGAJSA-N 395.503 -0.535 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CC2)c1C#N 349581041 VSYOXIOUXIQPHV-UHFFFAOYSA-N 386.459 -0.055 30 20 GBED COC(=O)[C@@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)Cc1ccc(O)cc1 410117272 MFILWUUACVKHRZ-HIFRSBDPSA-N 383.426 -0.217 30 20 GBED COc1cc(C[C@@H](CO)CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc(OC)c1 410147549 LWWFCKDAQXLNSO-PBHICJAKSA-N 399.469 -0.086 30 20 GBED C=CCC[C@@H](CO)NC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 454063863 WWOVWTRSJDAVOE-ZDUSSCGKSA-N 381.454 -0.073 30 20 GBED CNC(=O)N[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 466381740 CQIXYSAIYXOJCV-ZDUSSCGKSA-N 379.442 -0.291 30 20 GBED COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2F)C1=O 500323229 FOIYFYYDNLNSQA-CYBMUJFWSA-N 376.344 -0.084 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 553670181 ZTHCPGNAODEXMI-UHFFFAOYSA-N 391.516 -0.480 30 20 GBED COc1cnc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)nc1 565079902 RPCZABVAXKQASD-LLVKDONJSA-N 382.384 -0.177 30 20 GBED C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOCC1 565569007 RNAXQTLULQPFII-GFCCVEGCSA-N 380.426 -0.800 30 20 GBED COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)NCC(=O)NCC#N 588338083 WWEKYGLEGGHURC-UHFFFAOYSA-N 384.414 -0.123 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)cc1 617872890 RSCNLCGTWUWRNN-KBPBESRZSA-N 388.467 -0.307 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Cn2c(C)nc3ccccc3c2=O)CC1 728533201 CTYCQAGLBSFLHH-UHFFFAOYSA-N 381.436 -0.401 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OCc3cnn[nH]3)cc2)CC1 734328198 DHQIRJXWGWIZET-UHFFFAOYSA-N 382.424 -0.109 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2C)CC1 736075689 BJDHMSPZXZYWLZ-UHFFFAOYSA-N 379.438 -0.251 30 20 GBED C[C@@](C#N)(NC(=O)COC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C1CC1 745587049 QIQGOZRVWQLRFU-KRWDZBQOSA-N 393.421 -0.089 30 20 GBED Cc1nn(C(C)(C)C)c(C)c1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 755803736 HXWWLBBUAQVCDJ-UHFFFAOYSA-N 396.473 -0.035 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2cccc(OC(F)F)c2)c(=O)n(C)c1=O 771898170 VRAMKTOSICHCID-UHFFFAOYSA-N 388.352 -0.002 30 20 GBED C=CCS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 798338740 AADJRSGGEJFNAP-UHFFFAOYSA-N 390.483 -0.370 30 20 GBED Cn1c(Cl)nc(Cl)c1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 814883620 UGTISZUMDMPIMU-UHFFFAOYSA-N 395.228 -0.563 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@@H](O)C(=O)O)CC2)c1 833363945 FXQHCJPNAYQNSM-OAHLLOKOSA-N 380.422 -0.104 30 20 GBED CCOC(=O)CON=C(C(=O)N[C@H]1C[C@@H]2CCCCN2C1=O)c1cc[nH]n1 837254957 UEMKQGUIPGBLPM-AAEUAGOBSA-N 377.401 -0.037 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC2(C)OCCO2)cc1 848941133 GLWFOCXMICIIGM-UHFFFAOYSA-N 389.455 -0.128 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H](OC)C2)cc1 946762406 NXUQGSZJVINFAA-YYIAUSFCSA-N 385.420 -0.344 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccnn2CCOC)C1 967890033 NFSHAKZYOUCHIB-FSDCSDTHSA-N 392.456 -0.188 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@@H]1O 970711348 CNTLELKOOAHZOF-WCVJEAGWSA-N 375.425 -0.483 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nn1 982135600 FZZLGKBHUMRHJZ-MYZSUADSSA-N 390.444 -0.488 30 20 GBED Cn1c(O)ncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)c1=O 1004896196 HRVOBBBSXSXFQS-HONMWMINSA-N 382.380 -0.139 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cncn3C)C2)nc1 1025708787 YWJVRIOYQMCXJA-GZOSKZMVSA-N 379.420 -0.098 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)N2CCNC(=O)C2)cn1 1096383201 WFMJYOUUIYKDLN-IKGGRYGDSA-N 381.436 -0.644 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)CCC 1109017033 KIEYUQZBOQHVGN-RDBSUJKOSA-N 379.461 -0.364 30 20 GBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](C)NC(=O)Cn1cnnn1 1109962493 ZAPWKADXGNOYNJ-KBXIAJHMSA-N 377.449 -0.898 30 20 GBED COc1c(F)cc(CC(=O)N[C@@H]2CCCN(O)C2=O)cc1S(N)(=O)=O 1118377698 CZTXFBJEKMSPGC-SNVBAGLBSA-N 375.378 -0.479 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](c2cncn2C)C1 1131071884 AYQFFLAZPQZYHE-ANQUJSFKSA-N 386.456 -0.465 30 20 GBED C=C(C)CN(CC)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C 1215527874 WIIDFXKRUGIGBW-LVQVYYBASA-N 380.489 -0.120 30 20 GBED CN1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1323940266 QUUVUSRYXSGXKQ-HEWTWTGNSA-N 397.435 -0.068 30 20 GBED CN1CCC(N(C)CCN(C)C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 1324437309 XLZVFPPATAEAQU-UHFFFAOYSA-N 378.521 -0.425 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 1324838835 VILWEPLRWZUFRO-ZFWWWQNUSA-N 387.502 -0.034 30 20 GBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCC[C@H](N3CCNCC3=O)C1)CC2 1325628738 UFEMAJNNTNIRIX-INIZCTEOSA-N 381.436 -0.130 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1327259718 VAAZXPWRYAXXNK-GFCCVEGCSA-N 376.413 -0.133 30 20 GBED CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1 1330946330 HZGXVXHUXUPNLZ-SFHVURJKSA-N 381.452 -0.147 30 20 GBED C#CCN1CCC[C@H]1c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC(C)C 1344454824 CSWHLOLXIZLHFH-CVEARBPZSA-N 399.499 -0.149 30 20 GBED C[C@@H](CCC#N)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C 1344887293 ZFUUKXQUTPWZBF-AWEZNQCLSA-N 389.460 -0.270 30 20 GBED CC(C)OC[C@@H](CO)N(C)C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 1348412308 SRXDSOYLXKUCKA-MRXNPFEDSA-N 389.456 -0.154 30 20 GBED C#CCNC(=O)CNC1(CNC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)CCCC1 1575004271 COJRLHKDKUCSJJ-INIZCTEOSA-N 387.488 -0.463 30 20 GBED C#CCOCCC(=O)NCC1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]12 1588361439 MXKGIYREJJSVDD-ZIAGYGMSSA-N 383.412 -0.331 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3snc(C)c3-c3nn[nH]n3)C[C@H]2O)nc1 1588370120 OEDOCOQGYIHILN-CHWSQXEVSA-N 396.436 -0.013 30 20 GBED C=C[C@@H]1OCCC[C@H]1NC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1588717239 VOICJYXRWXSHAD-KGLIPLIRSA-N 392.441 -0.005 30 20 GBED CC1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCN(CC(=O)NCC#N)CC1 1590131328 DEUUBJFWDADTIZ-UHFFFAOYSA-N 385.432 -0.334 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(N2CCN(CCNC(=O)C#CC(C)C)CC2)n1 1591888303 XWWWZLWPEOAILO-UHFFFAOYSA-N 383.460 -0.137 30 20 GBED Cc1nc(N2CC[C@@H](NC(=O)CSCC#N)[C@@H](O)C2)ccc1-c1nn[nH]n1 1592369576 QEBLFVZNEKYPSH-OLZOCXBDSA-N 388.457 -0.117 30 20 GBED CC[C@@H](CNS(C)(=O)=O)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1604037851 OEZJCMSALXYPHD-KGLIPLIRSA-N 391.457 -0.007 30 20 GBED CO[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1605149173 RVPYLTVYSSPFKV-ZIAGYGMSSA-N 394.399 -0.202 30 20 GBED N#Cc1nccnc1NC[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1606398433 CCKPMVLRORHMFS-LLVKDONJSA-N 380.372 -0.190 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)c(C(=O)O)c1 1608211074 ZXYIFXVOWCPQQN-LBPRGKRZSA-N 393.421 -0.092 30 20 GBED CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CC#N 1697019446 NGCGDJLDXRSEBB-GFCCVEGCSA-N 383.478 -0.198 30 20 GBED CC(=O)N(CC(=O)O)C[C@H]1CN(S(=O)(=O)c2cccc(C#N)n2)CCO1 1776202696 SNRSDGYPIXNDGU-ZDUSSCGKSA-N 382.398 -0.724 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)CCC1 1778851196 NGHSFPXKNLZKKY-GOSISDBHSA-N 387.444 -0.157 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCO2 1781272113 WQIBHTUCXVUXBI-IFXJQAMLSA-N 395.456 -0.150 30 20 GBED CCC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782009172 COEVOWQJHAILNX-PJIJBLCYSA-N 393.440 -0.497 30 20 GBED C[C@H](Oc1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567251 KRCGEUCHKJDXQH-LIRRHRJNSA-N 387.392 -0.233 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)CCC1 1784119712 YAZQYSHKVRDEMI-IBGZPJMESA-N 386.408 -0.565 30 20 GBED CCCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077150 MNSPDXWHYYONOM-QPSCCSFWSA-N 393.440 -0.641 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCN(C)CC3)C[C@@H]21 1791260304 QREGKBUZEOVJKE-QAETUUGQSA-N 398.573 -0.078 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1ccco1)C2 1793341085 JGAKAZPNSCGOAH-BDLOOMQFSA-N 376.409 -0.059 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSC(=N)N 1795502811 KPNWIGVZGBJLJJ-OAILTHCBSA-N 395.485 -0.939 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1 1797681757 BBVNRUGGBRLHPR-WJNVRWDZSA-N 378.429 -0.975 30 20 GBED CN1N=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)CCC1=O 1798691102 RWSOTTSPFGRUOB-FVCICTRLSA-N 398.423 -0.302 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN(C)C)C2)C1 1831392091 ZWPGOOCNSVIYQA-APWZRJJASA-N 381.473 -0.567 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccsc1)CCO2 1833968802 UOQRTPRFFQAPLK-KRWDZBQOSA-N 378.406 -0.094 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCSC(=N)N)CCO2 1835657031 GCUOYCWWJBJFHV-QGZVFWFLSA-N 382.486 -0.127 30 20 GBED CC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440483 KVWMIWBPZSHNPR-SKNUIBKYSA-N 396.488 -0.315 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Cn1cncn1)CCO2 1837648684 RNQOAXRZTLHCIG-MAUKXSAKSA-N 377.445 -0.053 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)CC)C2)C1 1839176583 XCFOPMCXWWSSDA-IBGZPJMESA-N 396.440 -0.069 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(NC(C)=O)n3)C2)C1 1839807395 XPAOHSMHGQDABD-LJQANCHMSA-N 386.408 -0.257 30 20 GBED C[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840025234 ZXZTVBFWKSZJEA-ZUJLDJOKSA-N 379.413 -0.464 30 20 GBED Cc1cncc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840041468 OINGXTBHQAYGQQ-LJQANCHMSA-N 387.392 -0.452 30 20 GBED CC(C)(C(N)=O)N1CCN(/C(=N\C2CC2)NC[C@H]2CCS(=O)(=O)C2)CC1 262329100 AOKTWOVNMBITCD-CYBMUJFWSA-N 385.534 -0.589 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)C1=O 269394283 BATMMFPDAREAIU-SECBINFHSA-N 390.318 -0.367 30 20 GBED Cc1cc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)nn1CCC#N 271108293 FSPWHAAFZFBULW-UHFFFAOYSA-N 384.400 -0.119 30 20 GBED CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NCCn3cnc(C#N)n3)ccc2O1 285470771 BZPWOFKKZXDTOK-AWEZNQCLSA-N 391.409 -0.005 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@](C)(O)CNC(=O)OC(C)(C)C)c1=O 290833379 UWFICDUXSMHFSO-SFHVURJKSA-N 396.444 -0.181 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)NCCS(=O)(=O)N(C)C)ccc1F 291798440 WWPFPDIMCRHONF-UHFFFAOYSA-N 393.462 -0.089 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@H](c2cnn(C)c2)[C@@H](C(=O)NC)C1 332404573 LIQRGCWMULRHEK-CFVMTHIKSA-N 382.490 -0.092 30 20 GBED N#C[C@@H]1N(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CCC[C@@]12CCCCO2 365097053 CSCPCTUNXNYZQF-KEYYUXOJSA-N 398.485 -0.073 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC3(CCNCC3)C[C@@H]2C)CC1 424496450 TUKCWZGMDDXDSN-INIZCTEOSA-N 391.516 -0.577 30 20 GBED C=CCN1C(=O)c2ccc(C(=O)N3C[C@H](N(C)CC(=O)O)[C@H](O)C3)cc2C1=O 435696608 KKPPWNFLCKFQAW-LSDHHAIUSA-N 387.392 -0.330 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCOC[C@H](O)C3)n2)c(Cl)c1 453817886 BHPOADMXXXHTGP-GFCCVEGCSA-N 389.799 0.556 30 20 GBED COCCC(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 475665857 GSZGDEVZEBYXSA-QGZVFWFLSA-N 379.505 -0.141 30 20 GBED CN(CC(=O)N1CC(NC(=O)C2CC2)C1)S(=O)(=O)c1ccc(C#N)cc1 548309102 ZEORDULIPXHPPB-UHFFFAOYSA-N 376.438 -0.084 30 20 GBED N#CCNC(=O)CNC(=O)NCc1ccccc1OCCN1CCOCC1 553814367 NGNJLDIEFHPHCK-UHFFFAOYSA-N 375.429 -0.163 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCCS2(=O)=O)cc1 566829935 UEQIEIKYYWHQMD-AWEZNQCLSA-N 385.467 -0.080 30 20 GBED COCCn1cc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cn1 574612713 ZPXMSMYBNNUJAO-UHFFFAOYSA-N 377.426 -0.004 30 20 GBED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccnn3C)c2=O)c1 726581451 WTQILCIMDGKMNP-UHFFFAOYSA-N 389.440 -0.137 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCCN(c3ccn(C)n3)C2=O)C1=O 744918011 CNZDYDCYULRMHT-LLVKDONJSA-N 389.368 -0.565 30 20 GBED C#C[C@@H](CC)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 753889967 LBXMMTJWZGDEIQ-LBPRGKRZSA-N 392.437 -0.726 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 761030063 FCJSMXGDDXIAGE-HNNXBMFYSA-N 381.502 -0.197 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCn1cc([N+](=O)[O-])cn1 768585471 BCWMPJFAKZETGS-UHFFFAOYSA-N 378.370 -0.354 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1)[C@@H]1CCCO1 808841538 STIDKQCSOFUSFV-STQMWFEESA-N 399.494 -0.252 30 20 GBED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NCc1cc(C#N)ccc1F 809535483 KLDZIMFUWHZELQ-CYBMUJFWSA-N 382.417 -0.146 30 20 GBED O=C(CNS(=O)(=O)c1ccccc1F)NCCN/C(O)=C1/N=CC=CC1=O 810382618 REVJAZZFQXZGSL-NXVVXOECSA-N 396.400 -0.253 30 20 GBED CCn1nc(C)c(CNS(=O)(=O)CCCS(=O)(=O)N(C)CC#N)n1 819164300 WKHFYERAPZITAQ-UHFFFAOYSA-N 378.480 -0.799 30 20 GBED COC[C@](C)(C#N)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 821680143 AHBBWWYIASVQIP-BONVTDFDSA-N 393.429 -0.422 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCn3ncc(Br)c3C2)CCO1 851803729 WSPYGIOLRCAYPX-VIFPVBQESA-N 376.236 -0.070 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 974723272 IQFBCHBMUBFVDE-VQHPVUNQSA-N 390.484 -0.541 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCNC(=O)C1 999124110 ZBRSSJFDQQQXHR-OWYFMNJBSA-N 376.457 -0.743 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C[C@H]2O)nn1 1023771642 YIQSOIVSFXNPGL-DSJMHWKBSA-N 385.428 -0.697 30 20 GBED Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O 1024368758 MZSPMQOYTAFRED-YFHUEUNASA-N 386.452 -0.011 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc3[nH]c(O)nc3c2)C[C@H]1O 1025711390 QSPQZFFFZNLBPB-ZRJCITRHSA-N 387.396 -0.444 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ncn(C)n1 1109234766 DIGOQUCQBIEARD-RNJOBUHISA-N 375.433 -0.450 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1119012504 APNPZZFHQDTCCG-KRWDZBQOSA-N 393.451 -0.199 30 20 GBED C=CCn1c(C[S@@](C)=O)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1121702633 OUGOKQZMRCXSNG-HHHXNRCGSA-N 394.501 -0.386 30 20 GBED NC(=O)N1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1318284679 MEQCBHVJIYSLIO-UHFFFAOYSA-N 379.442 -0.272 30 20 GBED C=CCN(Cc1ccccc1)C(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 1322057940 VPUZJMYRYNZUOE-UHFFFAOYSA-N 395.481 -0.021 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1 1323214139 RQOPGMCWHQNHMS-UHFFFAOYSA-N 393.465 -0.145 30 20 GBED CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1 1326597767 UOCXTDUXEFSYBQ-QZTJIDSGSA-N 385.468 -0.180 30 20 GBED C=CCOCCNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1327052942 ORVGZGLBFDAWNZ-MRXNPFEDSA-N 380.489 -0.150 30 20 GBED CS(=O)(=O)[C@H]1CCCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1329453175 LNNQAJKBLCXMGK-CABCVRRESA-N 382.486 -0.389 30 20 GBED C=C(C)Cn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCN2C(=O)CC[C@H]2C1 1346603067 DQFODDYONUEJCJ-ZDUSSCGKSA-N 399.455 -0.270 30 20 GBED N#Cc1ccc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)o1 1347552624 XPVQBYJEBYKLAU-GFCCVEGCSA-N 381.410 -0.361 30 20 GBED N#Cc1ccc(N2CCO[C@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nn1 1571152246 FYULFYNODGKCTL-LLVKDONJSA-N 380.372 -0.508 30 20 GBED C#CCNC(=O)[C@H](C)NC[C@](C)(NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC1 1573285212 FCHARRRGOHJHSY-VOJFVSQTSA-N 384.444 -0.179 30 20 GBED C#CCN(C(=O)[C@H]1CCc2nnnn2CC1)C1CCN(Cc2cnn[nH]2)CC1 1574894780 GULFWDPDFPAWBW-AWEZNQCLSA-N 383.460 -0.130 30 20 GBED CN(C)S(=O)(=O)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@H]1C[C@@H](N)C1 1578420787 VEOXRJNFAFRWKV-TYNCELHUSA-N 385.469 -0.184 30 20 GBED N#Cc1ccc(C(=O)NC[C@H]2[C@@H]3CN(c4nccnc4-c4nn[nH]n4)C[C@H]23)[nH]1 1581867787 VZMNRZAEFKTJEG-CNDDSTCGSA-N 376.384 -0.031 30 20 GBED C#C[C@H]1CCCN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)C1 1588331520 BJXZMFUPDKEQSR-NSHDSACASA-N 385.432 -0.565 30 20 GBED CCn1cc(-c2nn[nH]n2)c(=O)n(CC(=O)[C@H](C#N)c2nc(C)cs2)c1=O 1590949876 MDZYTNHRVTZGQQ-VIFPVBQESA-N 386.397 -0.149 30 20 GBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1602868356 NMOVCNOZMXSHPW-GFCCVEGCSA-N 375.389 -0.645 30 20 GBED CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1604721902 BRJNFEHQKHTITB-ZDUSSCGKSA-N 382.388 -0.295 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(N2CCC[C@@](CO)(NC(=O)C#CC3CC3)C2)n1 1605561533 ZDUVMLOJZWIOAN-GOSISDBHSA-N 382.428 -0.174 30 20 GBED Cn1cnnc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1729592446 SMNKJAFIRMYDFA-NHYWBVRUSA-N 394.436 -0.201 30 20 GBED CC(C)(CC#N)CS(=O)(=O)N1CCC2(CC1)NC(=O)N(CC(=O)O)C2=O 1776290917 SNBLOFPWCBCAKB-UHFFFAOYSA-N 386.430 -0.273 30 20 GBED COCCOCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010869 ZLZSXCPEMFXSFW-RDTXWAMCSA-N 382.413 -0.749 30 20 GBED C=C(C(=O)N1CC[C@@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1)C(F)(F)F 1783202022 BZZHZHONIWLKJW-IAQYHMDHSA-N 393.362 -0.003 30 20 GBED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCc4nc(N)n[nH]4)[C@H]3C2)CC1 1788503068 CORJWTBTBSWOGZ-AVGNSLFASA-N 387.444 -0.397 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[S@@](=O)CC)C2 1793344145 JCMXJNICNHGONM-AECHECBCSA-N 384.498 -0.227 30 20 GBED N=C1NCCN1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795274975 MFLCZSZRXXHHDJ-XEMDLRDOSA-N 395.463 -0.532 30 20 GBED CC(C)(C#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796571045 SRXBHUPNYSQVAG-JGPRNRPPSA-N 384.400 -0.386 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nnc1C)C2 1797708274 ODXASSYIDZIAOS-XFMPKHEZSA-N 377.445 -0.111 30 20 GBED CN1CCCn2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)cc2C1 1800126943 ZTJJSLSBPWRBRD-ZSBFGKGUSA-N 386.456 -0.165 30 20 GBED CCOC(=O)O[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800233825 WEECOXJLSQETSU-OHTBPHCPSA-N 382.369 -0.774 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnnn1C)CCO2 1833225175 GTRHYGDDXXBDAA-KRWDZBQOSA-N 395.485 -0.196 30 20 GBED Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1833881942 GRYXMIODDUAIPF-GOSISDBHSA-N 399.411 -0.601 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1835127025 CUHYNHVJJSKTPO-DOXZYTNZSA-N 379.457 -0.066 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2 1835858726 IQRVJQVNQWLITM-SFHVURJKSA-N 376.413 -0.011 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840421311 OLKQSCMXISWWBE-DVOMOZLQSA-N 383.474 -0.386 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)CC[C@@H](N)C(N)=O)C2 1842919512 GMBUHZSOIGVUTR-CYBMUJFWSA-N 378.477 -0.936 30 20 GBED C[C@H](S)C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1846366710 AVCUMQPMLQAHHM-LBPRGKRZSA-N 375.516 -0.762 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC(=O)Nc1sccc1C#N)C2 276417573 MFNREENWURSMGI-UHFFFAOYSA-N 389.441 -0.480 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 292299405 KEUIBTHYBRIZAH-XJKSGUPXSA-N 375.429 -0.307 30 20 GBED Cc1c([C@@H]2[C@@H](/C(O)=N/CCN3CCS(=O)(=O)CC3)CC(=O)N2C)cnn1C 330307226 RZXLEICXMKBORY-BBRMVZONSA-N 397.501 -0.065 30 20 GBED CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 349517128 FCWJNZSUUSBUPN-GFCCVEGCSA-N 392.503 -0.862 30 20 GBED COC1(C)CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(C#N)cn2)C1 349518337 GVEQYMZNMIKLRW-UHFFFAOYSA-N 388.471 0.136 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@@H]4[C@@H](C3)[C@H]3CC[C@H]4O3)CC2)c1C#N 410752840 INRSJLFTMBQMOD-QBPKDAKJSA-N 398.467 -0.115 30 20 GBED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 415848096 CPQGHSFBSMFTPE-UHFFFAOYSA-N 391.453 -0.749 30 20 GBED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)CC2(C#N)CC2)C1 486639252 JWAMZUDXGHZSBY-CYBMUJFWSA-N 379.504 -0.008 30 20 GBED COC(=O)C[C@H]1C(=O)NCCN1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 538096272 HLDOYVKPTWNBQB-LSDHHAIUSA-N 379.461 -0.958 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1=O 551472122 NRHCHGJHTLSMSA-HZPDHXFCSA-N 379.505 -0.769 30 20 GBED COCCOCCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 581736685 FGRLFNYUNXZLBM-UHFFFAOYSA-N 377.444 -0.570 30 20 GBED C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCS1(=O)=O 589496188 YTQBXAXKYPSXEY-GFCCVEGCSA-N 385.467 -0.128 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)N2CCCO[C@@H](CN)C2)CC1 595985007 ZPDNXHPYGVEIHW-ZDUSSCGKSA-N 377.470 -0.155 30 20 GBED Cc1cc(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H](C#N)CO)c(C)c1 597749958 RJBJBXHDDRYPGP-KFWWJZLASA-N 381.454 -0.264 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)CC1 601533848 RFUAWUTZGRIVCP-JKSUJKDBSA-N 383.452 -0.148 30 20 GBED Cn1c(Sc2nnc(N3CCOCC3)n2C2CC2)c(C#N)c(=O)n(C)c1=O 602089712 XDTCAXFLAGREGF-UHFFFAOYSA-N 389.441 -0.130 30 20 GBED CNS(=O)(=O)Cc1ccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1 619706583 VVSFZTIRULWMFA-AWEZNQCLSA-N 388.471 -0.705 30 20 GBED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1 756745675 GXCRIUFSQSXZOE-YGRLFVJLSA-N 391.409 -0.272 30 20 GBED CN1C(=O)C(=O)N(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1=O 757574465 FOTDJAWIXWTRGC-ZJUUUORDSA-N 379.373 -0.718 30 20 GBED C#CCN1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)CC1 779484187 KOEDQLZCWVTSHT-WBVHZDCISA-N 379.482 -0.200 30 20 GBED C#CCN1CCN(C(=O)CN2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CC1 819702418 ZADNPHPVZYREJY-UHFFFAOYSA-N 395.471 -0.839 30 20 GBED C#CCNC(=O)CN1CCN(Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)CC1 823850870 VXWHPIWVRJGRBF-UHFFFAOYSA-N 397.439 -0.480 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)OCCN2C(=O)N[C@@H](C)C2=O)cc1 837406958 OLTCCEDYMHNAGR-NSHDSACASA-N 379.394 -0.305 30 20 GBED C#C[C@@H]1COCCN1C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 838266210 GYLAVOQSTDIUED-LLVKDONJSA-N 382.398 -0.095 30 20 GBED O=C(N[C@H]1CCCN(O)C1=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 848138241 KTLGPZHOZAQLQC-VIFPVBQESA-N 378.370 -0.792 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2cc(C3CC3)nn2)C1 966326694 IAMCNFHNGFTECR-DNMXQMFDSA-N 389.456 -0.175 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2cn(C)c(=O)nc2O)n1 1055027961 ZCOSKPXETBLYPR-XBFCOCLRSA-N 381.396 -0.004 30 20 GBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@@H]2Cc3cncn3C(=O)N2)nn1 1055261045 LRGOBJDDIBJWGM-UNQGMJICSA-N 378.396 -0.047 30 20 GBED COCCN1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1 1119077152 RTABWLWYWXQKKQ-UHFFFAOYSA-N 386.456 -0.608 30 20 GBED C#CC1CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 1261466879 VZCLLVRXFZODHR-UHFFFAOYSA-N 398.467 -0.497 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H](O)CN1CCCC1=O 1319192085 KRLRCOMMALMMDZ-CYBMUJFWSA-N 377.372 -0.124 30 20 GBED C=CCN1CCC(NC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 1324219943 OYTQNULVJPTPNH-UHFFFAOYSA-N 390.488 -0.080 30 20 GBED COCCN(CCO)C(=O)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 1326462840 AEAPGJSXCCGYDO-LBPRGKRZSA-N 383.426 -0.222 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]([C@@H]3C[C@@H](N)CCO3)C2)C1=O 1328845975 HLNFINYLJXWEHO-IHRRRGAJSA-N 378.429 -0.292 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCC2(NS(C)(=O)=O)CCCCC2)nn1 1332025002 GPQBAOPHPFENQY-UHFFFAOYSA-N 398.489 -0.551 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 1336472801 KMIKSPBXVLDJKL-HNNXBMFYSA-N 399.513 -0.058 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 1336602435 RSBUZAOLEFVLDU-WBTNSWJXSA-N 386.518 -0.795 30 20 GBED C=CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 1339494517 UKMDQOWRZTZUIZ-OLZOCXBDSA-N 382.490 -0.072 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1346544926 XRMWPAAUDTZNGK-SFHVURJKSA-N 398.463 -0.298 30 20 GBED COC(=O)C[C@H]1CN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CCO1 1353716689 PUUPHAPDPJWBIB-AWEZNQCLSA-N 375.381 -0.026 30 20 GBED CC#CCn1nnnc1N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1355789309 JVVJCYZSKHJTGZ-UHFFFAOYSA-N 375.458 -0.147 30 20 GBED CC1CCC(NC(=O)CN2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)CC1 1458164872 MEBYJTKTAYYDAS-UHFFFAOYSA-N 388.472 -0.238 30 20 GBED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)CC1 1539775715 OYJQFGDTVXMSSP-SNVBAGLBSA-N 376.870 -0.033 30 20 GBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nc1 1573286929 CSXVJWSWLYFMIN-CABCVRRESA-N 392.379 -0.814 30 20 GBED C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573292152 PDSQYAFIWILHAF-GHMZBOCLSA-N 382.222 -0.122 30 20 GBED N#Cc1ccc(C(=O)NCC2[C@@H]3CN(c4nccnc4-c4nn[nH]n4)C[C@@H]23)[nH]1 1581867788 VZMNRZAEFKTJEG-RYUDHWBXSA-N 376.384 -0.031 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O 1588505823 XYNXVOGXZAMJTJ-BFQNTYOBSA-N 378.458 -0.083 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)cn3)C[C@H]2OC)nn1 1588713118 FVLVAZNWTBOIGT-TZMCWYRMSA-N 396.415 -0.327 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[nH]n2)nn1 1588719108 XSHQZCVYYXZLQF-SCRDCRAPSA-N 388.432 -0.497 30 20 GBED CC[C@@](COC)(NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(=O)O 1595194779 KEPUNIKRXYNXLP-KRWDZBQOSA-N 379.417 -0.027 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(-c3nn[nH]n3)c(F)c2)C1=O 1602862231 GPGNXBJVHOWJIY-UHFFFAOYSA-N 387.331 -0.401 30 20 GBED N#CC1(C(=O)O)CCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 1608172610 KWXNMCIIRAEOTL-UHFFFAOYSA-N 390.400 -0.036 30 20 GBED COC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@H]1N2C(=O)CCN/C(O)=C1/N=CC=CC1=O 1610164650 PXTYGCXUBNVMRO-UTIJGCCCSA-N 391.380 -0.234 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)OCO3)CCO2 1783561738 ITFNJYWTKUDCNP-LJQANCHMSA-N 386.360 -0.053 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2 1793821341 RLEKVVUOXPZLEZ-DRXBFXEBSA-N 378.454 -0.108 30 20 GBED CN1CCN(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)CC1 1795444235 IWXAVEODSYWFIV-HGKCTWBKSA-N 377.489 -0.483 30 20 GBED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@@H]1C=CCN1 1796311712 GVTRBFXUCPKTDN-UNQNCOHGSA-N 392.456 -0.367 30 20 GBED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1 1797621850 LVKOEZOUAHCUQW-BAESOJJISA-N 396.517 -0.137 30 20 GBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1802023206 OCFNGEVZCKYCNI-OCVGTWLNSA-N 395.456 -0.168 30 20 GBED N#CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CC(=O)NC1=O)CC2 1814488274 RYNJOHPFXGVRFV-SECBINFHSA-N 390.425 -0.089 30 20 GBED N#CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1826324706 HSZLHZBDGFFSCN-KRWDZBQOSA-N 380.489 -0.194 30 20 GBED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1829782153 OMUAUMVKLIRKOZ-LJQANCHMSA-N 395.504 -0.082 30 20 GBED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1830647379 MVOJGQHJISFSQQ-LJQANCHMSA-N 394.472 -0.121 30 20 GBED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834756146 SHJZSCZMZFNJGL-SPYBWZPUSA-N 393.440 -0.054 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1839158635 MCZOILXIYKEMRB-HDMKZQKVSA-N 383.445 -0.832 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1839840907 NHUKIBMZAHXNCP-YOEHRIQHSA-N 378.433 -0.658 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC=CC[C@H]1C(=O)OC)CCO2 1840143014 GYXFDVXMMQUYPB-YRNRMSPPSA-N 390.436 -0.169 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1840172956 RRFGFWOHTXSYCY-KRWDZBQOSA-N 378.385 -0.466 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CN2CCN(C)CC2)C1 1843913862 QSCOHBMMMNTJLQ-WAYWQWQTSA-N 389.500 -0.704 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(CC(N)=O)CC2)cc1 47342574 KSMHDBQTITYQTE-UHFFFAOYSA-N 378.454 -0.769 30 20 GBED N/C(=N/CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)N1CCN(c2ncccn2)CC1 262747796 AXNPJJACMHUDAY-VGWMRTNUSA-N 395.467 -0.280 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)NCCS(=O)(=O)N2CCSCC2)cc1 264461316 RRLHARYRKWLXSS-UHFFFAOYSA-N 396.494 -0.217 30 20 GBED CCS(=O)(=O)NCCNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 268112892 JOBBDTNPCRGCFA-GFCCVEGCSA-N 381.462 -0.492 30 20 GBED CNS(=O)(=O)c1cccc(CNS(=O)(=O)N(CCC#N)CCOC)c1 282645456 DFQOBPMVULHFFO-UHFFFAOYSA-N 390.487 -0.209 30 20 GBED COc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 293249006 RVLYZGAXRDCEIS-LBPRGKRZSA-N 380.426 -0.002 30 20 GBED O=C(C/N=C(/O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCOCC1 329483497 QDSVYRDJTYIWOY-OAHLLOKOSA-N 382.461 -0.485 30 20 GBED O=S(=O)(CC/N=C(/O)N1CCO[C@]2(CCOC2)C1)NC[C@@H]1CCCCO1 329973499 YRBWFAWDFQJQAT-GOEBONIOSA-N 391.490 -0.120 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CCS[C@H]2COCC[C@H]21 349504804 SNMSSCLJOZJJDW-NEPJUHHUSA-N 383.517 -0.644 30 20 GBED N#CC1(CNS(=O)(=O)CCCS(=O)(=O)Nc2ccc(O)nn2)CCC1 349547501 UXAFMCHMWTZTHH-UHFFFAOYSA-N 389.459 -0.073 30 20 GBED COc1ccc(C#N)cc1NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C 429943935 MRVGRKRDCPBZMY-UHFFFAOYSA-N 383.430 -0.546 30 20 GBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1F 523569676 AVYDIWSVLCOQGB-LLVKDONJSA-N 389.430 -0.379 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCn3cccn3)C2=O)cc1 551842010 UOWSANLJFIMKCW-MRXNPFEDSA-N 380.408 -0.212 30 20 GBED Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)NCC#N 561340964 QIDSGGPSMIUDQI-UHFFFAOYSA-N 376.358 -0.361 30 20 GBED CCCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CC(=O)N(C)C1=O 562207620 NLJSGGNFZJHSHJ-AWEZNQCLSA-N 392.437 -0.168 30 20 GBED C=CCCOCCNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 564114117 WBTGFANNNOJJMU-MRXNPFEDSA-N 396.488 -0.913 30 20 GBED C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2cnccc2C#N)CC1 579908970 QOOWPEUDVRDCDA-ZFWWWQNUSA-N 377.470 -0.233 30 20 GBED COCCCS(=O)(=O)NCC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 610900017 HHTXRONVXCETLL-UHFFFAOYSA-N 395.485 -0.006 30 20 GBED Cc1cc(C(=O)OCCn2ncc(C#N)c2N)nc2c1c(=O)n(C)c(=O)n2C 739174028 FKLCEWYJZNSBBP-UHFFFAOYSA-N 383.368 -0.552 30 20 GBED C#CCN1CCN(C(=O)Cn2nnc(CN(C)C(=O)c3ccccc3)n2)CC1 750002447 DNQACUSYLFNTFD-UHFFFAOYSA-N 381.440 -0.277 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)COc1ccc(S(N)(=O)=O)cc1 750174243 IUAZITJLXCICBZ-SNVBAGLBSA-N 385.398 -0.344 30 20 GBED N#C[C@H](C(=O)c1ccnc(O[C@H]2CCOC2)c1)C(=O)N1CCS(=O)(=O)CC1 755682206 VWVZOOXXVNPCOH-UONOGXRCSA-N 393.421 -0.171 30 20 GBED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cnc(N)nc2)CC1 781594304 HCVUADOQUZKTQS-UHFFFAOYSA-N 376.446 -0.164 30 20 GBED Cn1cc(S(=O)(=O)NN=C2CCOc3cc(F)ccc32)c(=O)n(C)c1=O 794924039 ULHYLXNKYWPVQH-UHFFFAOYSA-N 382.373 -0.312 30 20 GBED C#CCC[C@@H](O)CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 798389615 GFDLYAUQSJQDFQ-CYBMUJFWSA-N 384.414 -0.053 30 20 GBED C#CCC[C@@H](O)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 799077074 YJMMBYYXJZBYMG-FMKPAKJESA-N 384.429 -0.160 30 20 GBED C[C@H](OC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)NC1(C#N)CCC1 803862883 XZLYHVZXNRCVCB-VIFPVBQESA-N 382.398 -0.651 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 823932086 NZOJDCMFQPSULO-UHFFFAOYSA-N 397.465 -0.653 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)NC3CC3)cc2)CC1 831565633 WTJDAZMYRGFGHV-UHFFFAOYSA-N 390.465 -0.196 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)CC1 831568763 RCRLQMLXZSUOER-LPWJVIDDSA-N 395.403 -0.046 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cncc(N3CCCC3)n2)CC1 831585449 VKHDTDCLUMFBPN-UHFFFAOYSA-N 378.458 -0.698 30 20 GBED CC[C@](COC)(NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 837254418 CCQJRUDGYMHQOS-MRXNPFEDSA-N 383.426 -0.191 30 20 GBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 844112848 ZRJKTSXCNPMMCX-VXGBXAGGSA-N 395.437 -0.502 30 20 GBED CC1(C)NC(=O)N(CCOC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1=O 914618732 VBVJHVNNHUPMHB-UHFFFAOYSA-N 394.409 -0.401 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(N(C)C)nn2)C1 969110155 NUXGEMBCENDGAC-OJLVUWQFSA-N 389.456 -0.175 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(CC3CC3)nn2)C1 970235460 GRCDNAKGHQYGNC-JHNDHUHGSA-N 389.456 -0.029 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@@]2(C)C1 993454327 WMBAPEGWQCJZRO-BSXFFOKHSA-N 382.482 -0.071 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C)cc2=O)C[C@H]1O 1023958595 QPDLXJYTDVCQNP-WNOSKKOXSA-N 375.425 -0.034 30 20 GBED C=CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)nn1 1025696412 UXLPAZZCQOFCNV-QVHKTLOISA-N 390.444 -0.943 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(C(=O)NC(C)C)nn2)C[C@@H]1O 1044560176 RRUDEPFAIFYNOL-OJLVUWQFSA-N 389.456 -0.128 30 20 GBED C#CCNC(=O)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1056151813 SDYWPLLBCBSROY-BKEDOTJMSA-N 377.441 -0.837 30 20 GBED CC(C)CN1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CC1=O 1109362988 MMXJTCKVIHOWJP-FZKCQIBNSA-N 375.473 -0.148 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)c1cscn1 1111242606 KEKWTADPJOUEIG-WZRBSPASSA-N 376.442 -0.766 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1116984042 XYDHEAYWUHTOQS-KBPBESRZSA-N 389.518 -0.293 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1n1ccnn1 1129317800 VSJCVMHZXBPDGL-MHORFTMASA-N 393.488 0.000 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCCN1CCCO 1261265622 KXOWZSSSCOHQGL-ZDUSSCGKSA-N 380.470 -0.312 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 1318905286 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30 20 GBED N#Cc1ccc(O[C@H]2CCN(C(=O)NCCn3cnc(-c4nn[nH]n4)n3)C2)nc1 1606379321 OSIIZZDPPJRWBB-LBPRGKRZSA-N 395.387 -0.412 30 20 GBED N#CC[C@]1(O)CCN(C(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)C1 1627463671 DRINYCIJAKHNRI-HIFRSBDPSA-N 387.845 -0.144 30 20 GBED CN(C[C@@H](O)CNC(=O)c1c[nH]c(C#N)c1)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1756673605 WLRUTFNUNUMFPT-QCEMKRCNSA-N 376.413 -0.513 30 20 GBED CC[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1763350594 LQXSNZWEEAPHPL-XUJVJEKNSA-N 386.478 -0.222 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cncn3)C[C@@H]21 1784481939 ZREUWIOUIQOYLZ-NRKLIOEPSA-N 389.456 -0.143 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)C=C)C[C@@H]21 1784486190 ZLZVSNZMHYRPJO-QEOTZNIISA-N 391.468 -0.305 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795357786 IAXRCDBDVKQBCH-JJLQDPRZSA-N 376.500 -0.460 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOCC2)c1 1795440498 IQOSZPTUGMOPMX-JLVBRIDZSA-N 387.440 -0.578 30 20 GBED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795632498 SIYHORWDONKUTI-BUONHZGMSA-N 386.518 -0.877 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 1798634277 OGBPDINCOLSEMX-LMWOUKEDSA-N 390.440 -0.454 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2c[nH]c(=O)cn2)C3)c1 1798693787 RKRJHDAMHFCDAT-DRXBFXEBSA-N 382.380 -0.513 30 20 GBED CCN(CC)C[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800226970 ZADGOACDPOSAQJ-ZXFNITATSA-N 379.457 -0.358 30 20 GBED N#CCCC(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807045640 XLZRSSKMFKRXNW-MPGHIAIKSA-N 386.456 -0.016 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCCC2(CCN(C(=O)CNC(=N)N)CC2)C1 1809773020 QJEBUNSNZSSOGC-UHFFFAOYSA-N 391.520 -0.017 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1829950430 OTMRDYKUJILSGP-RDTXWAMCSA-N 378.429 -0.727 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1831402496 IVCYUPJCHCTYDD-MBOZVWFJSA-N 394.468 -0.092 30 20 GBED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1831477537 HKZFBFPOVLPMNI-SJKOYZFVSA-N 387.502 -0.324 30 20 GBED C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1)n1cnnn1 1832291382 YURBQMSYYVWNFD-HIFRSBDPSA-N 388.428 -0.058 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836205759 GTRBEMXZVLFDFN-WBVHZDCISA-N 397.501 -0.311 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)n2[nH]nnc2n1 1847813078 VECFHCJBJAYCKZ-DRZSPHRISA-N 387.400 -0.781 30 20 GBED C/N=C(/NCC(=O)N(C)C)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 262298803 ZCEGLYAHEXKWGD-HZPDHXFCSA-N 380.537 -0.228 30 20 GBED N#C[C@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCO1 264444229 BCXXPJYJGQDXJF-JTQLQIEISA-N 383.386 -0.205 30 20 GBED N#C[C@@H]1COCCN1C(=O)C(F)(F)C(F)(F)C(=O)N1CCOC[C@H]1C#N 267120843 DCAVGVJWGHEFNN-NXEZZACHSA-N 378.282 -0.241 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(O)(C(=O)OC)CC2)c1 271288016 QWUMQYGIEFQLMB-UHFFFAOYSA-N 380.422 -0.262 30 20 GBED N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c1 275979893 VWSANZWYNPSKGS-JTQLQIEISA-N 375.772 -0.681 30 20 GBED COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCn2cnc(C#N)n2)c1 286305136 QDLDEJVVVGOIDI-UHFFFAOYSA-N 392.441 -0.187 30 20 GBED O=C(Cn1cc(N=C(O)N2CCN3CCOC[C@H]3C2)cn1)N1CCOCC1 329849583 PYWBVLTUJDRMEL-OAHLLOKOSA-N 378.433 -0.696 30 20 GBED N#Cc1cccc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2CO)n1 349522596 WGAWTIQUQSSRNI-CYBMUJFWSA-N 388.471 -0.128 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C)c(C(N)=O)c2)CC1 369512685 USVCVBSHELGKCF-UHFFFAOYSA-N 392.481 -0.460 30 20 GBED COC(=O)c1cn([C@@H]2CCCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)C2)nn1 409500194 NLIPGZOKPQQQEK-NEPJUHHUSA-N 384.418 -0.829 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cn1 425240494 UHRHUSNVOVALDZ-UHFFFAOYSA-N 382.427 -0.628 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@@H](O)[C@H](O)C3)n2)c(Cl)c1 434565288 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NC(=O)c1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n[nH]1 757903490 KSMBODSQIZIRKM-UHFFFAOYSA-N 376.398 -0.034 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)c(=O)cn1 960741845 YMJSCOVLRDVDMI-SYAUCNOPSA-N 388.424 -0.577 30 20 GBED N#CCN1CCN(S(=O)(=O)C2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)CC1 961062754 CZEAZGTUAHLTOL-CWRNSKLLSA-N 382.486 -0.517 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 962927849 DBVIIOXLOPBOEY-AHXJXLJNSA-N 393.440 -0.805 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@@H]1O 964614055 VGQNAWFLZYFFQF-WCVJEAGWSA-N 378.429 -0.532 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@@H]1O 970702732 ZVPOCNDHNGAKAW-VDERGJSUSA-N 375.429 -0.419 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nnn(C(C)(C)C)n2)C[C@@H]1O 970711366 DDDISJKBLXRJJZ-NDBYEHHHSA-N 378.433 -0.679 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CS(=O)(=O)C2)nn1 996514552 VMMHIRBXSXCKSG-DYEKYZERSA-N 379.442 -0.630 30 20 GBED C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@H]32)cn1 1022294470 HWAAZLIYQXWOCW-PQEBFOHHSA-N 382.420 -0.231 30 20 GBED C=CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCO[C@H]3CC)C2)nn1 1025048954 BHIBFFOCVPCJBM-XOUADPBQSA-N 377.445 -0.029 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnc3c2ncn3C)C[C@H]1O 1025710187 BPCDGTJJDRFMJZ-NGFQHRJXSA-N 385.424 -0.139 30 20 GBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)n1 1041425830 JUDYJJXPOJTHEF-WFFHOREQSA-N 387.318 -0.640 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)N2CCCC2)C1 1070278001 KFNFSCBMSPVPNB-NCOADZHNSA-N 388.472 -0.167 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CN(CC(=O)NCC#N)C[C@@]3(C)C2)O1 1101362830 GOWYMVCOMXKCMP-GJRWTSMGSA-N 391.472 -0.958 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CN(C(C)=O)C1 1109192801 MBFNHHYNGNZKDX-ILXRZTDVSA-N 377.445 -0.802 30 20 GBED CC1(C)CC(=O)N(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)C1=O 1109291453 QBTBPADFMFOEPO-AGIUHOORSA-N 375.429 -0.867 30 20 GBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnc(O)n(C)c1=O 1109588560 KFMSMZYLFLRLBY-RFHZTLPTSA-N 375.429 -0.488 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc(-n2ccnc2)nn1 1109835638 SPRSXUMYLQFDBY-SNPRPXQTSA-N 380.412 -0.363 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2Cc2cccc(F)c2)CC1 1120118569 MJCSGBYNPMWHIJ-UHFFFAOYSA-N 379.421 -0.550 30 20 GBED C=C(C)Cn1c(C2=NNC(=O)C2)nnc1N1CCN(C(COC)COC)CC1 1122602871 ZCNPXVVOUCRYDC-UHFFFAOYSA-N 391.476 -0.138 30 20 GBED C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 1322948072 ABQVVRRJBBPPND-OAGGEKHMSA-N 398.529 -0.507 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 1324023661 YEFWEOSAKJCPKI-ZDUSSCGKSA-N 378.433 -0.064 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCc1ccc(C#N)cn1)C2 1325279290 NCSAGHMKVBIZHL-UHFFFAOYSA-N 384.400 -0.875 30 20 GBED C=CC[C@@H](NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)OCC 1325352413 NWXGUICBNKBFFQ-LLVKDONJSA-N 377.401 -0.552 30 20 GBED C[C@@H]1CC2(CCNCC2)CN1C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1326143062 QYJOZGWNDDUVPQ-JFVSRZABSA-N 389.456 -0.380 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1 1326546059 XHRLESDCKADQQU-HZMBPMFUSA-N 376.335 -0.610 30 20 GBED CCN(CC)C1CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1326596369 JNCRZQWOXSPQCS-WUKNDPDISA-N 391.472 -0.038 30 20 GBED C=C[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 1327199157 ACBRUZVCUNJBLO-HNNXBMFYSA-N 376.457 -0.153 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCC(N3CCOC3=O)CC2)CC1 1327367020 ASOMPWSONASDFS-UHFFFAOYSA-N 390.440 -0.582 30 20 GBED CS(=O)(=O)CCNC(=O)C(=O)N1CCCN(c2ccccc2C#N)CC1 1327770379 XSRJYRDYNCLJRW-UHFFFAOYSA-N 378.454 -0.242 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H]4NC(=O)CC[C@H]4C3)CC2)nc1 1328138454 KPCUBYDEJZGXEY-JKSUJKDBSA-N 396.451 -0.271 30 20 GBED CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)N(C)Cc2cccc(C#N)c2)CC1 1329890136 AAUJARUMBXUXFV-UHFFFAOYSA-N 399.451 -0.286 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC1 1329961461 KYSRIORLCIEETB-UHFFFAOYSA-N 387.506 -0.227 30 20 GBED N#Cc1cn(CCC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c(=O)nc1O 1463657018 IRYQNOSXKUDQOI-ZDUSSCGKSA-N 375.385 -0.940 30 20 GBED C#Cc1ccc(C(=O)N2CCO[C@H](CNc3nccnc3-c3nn[nH]n3)C2)nc1 1588365338 XCLRNEVNCDIQOJ-CYBMUJFWSA-N 391.395 -0.014 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C2)nn1 1588620777 GVKJTDKRZZSJGH-LLVKDONJSA-N 381.404 -0.167 30 20 GBED CCC1(NCC(=O)NCC#N)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1590497932 CEYOKOCRJMCHCZ-UHFFFAOYSA-N 385.432 -0.191 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)O)c1 1602702173 KRHCXOMIQDXIIB-GFCCVEGCSA-N 395.437 -0.351 30 20 GBED CCO[C@H]1C[C@H](O)C12CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)CC2 1628551014 QWJYKVZCGMVJQT-KBPBESRZSA-N 376.413 -0.011 30 20 GBED C[C@H](CC(=O)NC[C@@H](O)Cn1ccnn1)/N=C1/NS(=O)(=O)c2ccccc21 1638697194 LNXVKEHIYZZRRW-VXGBXAGGSA-N 392.441 -0.728 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CS(=O)(=O)C(C)(C)C)C[C@H]1O 1757036289 FQZRROOPGVFPKV-SYQHCUMBSA-N 388.486 -0.521 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1783166690 KDIZMGRIXOBYKV-CQOWEHETSA-N 392.456 -0.801 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccn(C(F)F)n1)CCO2 1783567409 ZXUHTWYNOSKJNS-INIZCTEOSA-N 382.323 -0.190 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC=O)C[C@@H]21 1788573722 ICIVEBPEOURORT-YXMSTPNBSA-N 381.473 -0.326 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(N)=O)C[C@@H]21 1788576345 QJFCDKHPNQOACO-ZQDZILKHSA-N 381.473 -0.195 30 20 GBED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1 1788654414 FPIXBDBVLPCOPO-OGNFBWPZSA-N 393.484 -0.580 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)C3)[C@H]2C1 1790857215 ULMCCIAUQXJZTJ-UVPYHEFZSA-N 393.484 -0.325 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1794111660 SRRCYNZMZCEYJR-OVZMXSCWSA-N 386.408 -0.785 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(C)cn1 1794700412 PNRRDRRMFHEZKL-KQLJBOCNSA-N 399.451 -0.153 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1800450977 SKFBBSJBNJXIEF-HLPPOEQASA-N 395.456 -0.515 30 20 GBED O=C1C[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)CN1 1800525103 XLGDJPZWWITSOD-GZDTULRASA-N 388.424 -0.576 30 20 GBED N#CCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1806287246 KGJUONZUHOCCCX-IFXJQAMLSA-N 381.392 -0.074 30 20 GBED CN(CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC#N)[nH]n1)C(=O)C(=O)O 1821713777 WWTXROYGAPGPPI-NSHDSACASA-N 376.373 -0.142 30 20 GBED C=CC(=O)N[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825666460 CTGJHGCIUJXEDT-UWVGGRQHSA-N 390.421 -0.166 30 20 GBED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1831217840 BHSRGSDDMURPRG-IBGZPJMESA-N 389.408 -0.350 30 20 GBED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)Cn3cnnn3)CC2)CC1 1833147084 HUNYLEGBHIPCED-UHFFFAOYSA-N 388.476 -0.206 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837759358 AVPMTGBGYAWMNC-LJQANCHMSA-N 388.424 -0.372 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)C1 1839806042 YDDXOKZZTRTGRH-IFXJQAMLSA-N 395.456 -0.011 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)C2)C1 1839811587 CJQNISBURWWSCG-IIBYNOLFSA-N 399.447 -0.106 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1839867486 KLMYKUWRRMKFGR-KBXCAEBGSA-N 397.497 -0.502 30 20 GBED CO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840206422 VGPBBRMZQOJNAV-HNAYVOBHSA-N 396.488 -0.240 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c1 55222083 NWXYBIQLNZDEGF-UHFFFAOYSA-N 387.483 -0.132 30 20 GBED Cn1c(=O)/c(=C\c2ccc(C#N)o2)s/c1=C(\C#N)C(=O)NC[C@H]1CCCO1 266592718 XSQJYDHQVWOARJ-FLRNMSLCSA-N 384.417 -0.290 30 20 GBED C=CCNC(=O)CNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 271952413 CDLPENPERUORDH-UHFFFAOYSA-N 394.497 -0.280 30 20 GBED COC(=O)[C@@H]1CCO[C@H]1C1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 366247879 XQNIBXZHRHUXEA-OCCSQVGLSA-N 376.413 -0.250 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(OC)c2)c(=O)n1C 459869707 ZYAAEDVSOLZBKO-UHFFFAOYSA-N 391.424 -0.140 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCNC(=O)c2ccccc2F)C1=O 533214352 USOFJVCCZHFKLN-UHFFFAOYSA-N 376.344 -0.352 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CCOC2)cc1 534352661 JHULAPMIVURUET-QGZVFWFLSA-N 397.453 -0.301 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H](N(C)CC(=O)OC(C)(C)C)[C@H](O)C1 558107577 YNEJQIVLPGTVNW-MELADBBJSA-N 384.477 -0.295 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H](CS(C)(=O)=O)C2)n1 568758994 ZRKWNFVOEMQVPD-LBPRGKRZSA-N 381.458 0.557 30 20 GBED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NCC(=O)N1CCNCC1 570619605 UAFJWJAHBYYTAX-SJORKVTESA-N 383.452 -0.167 30 20 GBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC1CCN(CC#N)CC1 610240391 YPYYDTWDWNPFHJ-LBPRGKRZSA-N 382.490 -0.192 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CCOCCOC)CC1 653430400 CZTWYBMHMJZUJH-IAGOWNOFSA-N 383.489 -0.109 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NC2CC(NS(C)(=O)=O)C2)c1 669844713 GCSDFOVWAUDQFG-UHFFFAOYSA-N 387.483 -0.039 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc(C(=O)O)c2)CC1 736080675 WHJYIVREOQKDHJ-UHFFFAOYSA-N 379.438 -0.169 30 20 GBED CCNC(=O)NC(=O)COC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745495867 ISPWFAVKOSDLSK-SNVBAGLBSA-N 396.425 -0.107 30 20 GBED C#CCNS(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc(F)cc2)CC1 790314970 JISDZKAOFRQWHE-UHFFFAOYSA-N 389.474 -0.315 30 20 GBED C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 804401173 GGRFDTHAUSMZSQ-ZDUSSCGKSA-N 384.440 -0.273 30 20 GBED N#Cc1ncn(CCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 804619687 MORXARRXVYDVPA-UHFFFAOYSA-N 387.425 -0.215 30 20 GBED N#CCNC(=O)CNC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 804820200 BFGJPOZFQRPPEZ-GTBONMDNSA-N 383.408 -0.454 30 20 GBED N#C[C@H](c1ccccc1)N1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 822802004 TZUZXGGZVJJMKM-CQSZACIVSA-N 378.400 -0.133 30 20 GBED C#CCNc1nc(N[C@H]2CC(=O)N(CC)C2)nc(N[C@@H]2CC(=O)N(CC)C2)n1 828983503 MRPXAQRAFXADGH-BETUJISGSA-N 386.460 -0.018 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(OC)c2)c(=O)n1CCOC 839211214 GCLZJNMYAPEWHB-UHFFFAOYSA-N 391.424 -0.047 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)OCC)cc1 848942501 NLWMLNHMBDSFDF-UHFFFAOYSA-N 399.450 -0.325 30 20 GBED CC(C)(C)S(=O)(=O)CCNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 858217275 PXBFVOTZPXCDGW-UHFFFAOYSA-N 383.430 -0.400 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ncn(C)n1 960336297 DNGXKZLGNVFULG-XQLPTFJDSA-N 375.429 -0.152 30 20 GBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@@H]1O 969332095 OSIOBFXJEFBXOC-MNLARUNXSA-N 385.420 -0.037 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1n1ccnn1 990963679 SDXMFXRUVBMMJF-WCVJEAGWSA-N 386.412 -0.032 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@H]2CC(=O)NC2=O)cn1 998950852 QTPPPVJCCISMAI-OJLVUWQFSA-N 380.404 -0.023 30 20 GBED Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)c(O)nc1=O 1002772964 WIIXZAPSDFDSRP-BNOWGMLFSA-N 382.380 -0.139 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCCCOC 1109414898 QUVGVRUJHPKULQ-OWSLCNJRSA-N 376.501 -0.042 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@H]1CCC(=O)N1 1111132542 XBEZZANXPRBGOF-SYQHCUMBSA-N 377.445 -0.612 30 20 GBED C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1117332396 MGJIXJVCOMGURG-LBPRGKRZSA-N 396.444 -0.105 30 20 GBED COCCN(C[C@@H](O)C(F)(F)F)C(=O)CCn1cc(C#N)c(O)nc1=O 1300131714 SOJMWAXPLPGJHO-SNVBAGLBSA-N 378.307 -0.391 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ncn(C)n1 1303823775 RERXZGJJXJDMHF-NSHDSACASA-N 393.477 -0.195 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)NC[C@H]2COCCO2)CC1 1321754316 AWNNFEQZCKEJLR-ZDUSSCGKSA-N 376.388 -0.122 30 20 GBED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCC#Cc2ccccc2)CC1 1325451328 XFILXHUEVKNSRC-INIZCTEOSA-N 382.464 -0.034 30 20 GBED CNS(=O)(=O)c1ccc(CNC(=O)C(=O)NC2CCN(CC#N)CC2)s1 1326505676 IBDWESXTYGTATH-UHFFFAOYSA-N 399.498 -0.623 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCC(=O)Nc1ccc(F)c(F)c1 1327578991 DLVKDGTUSYSTDA-UHFFFAOYSA-N 389.380 -0.264 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1 1329774926 NSQFQNFWJLLENE-UHFFFAOYSA-N 375.473 -0.095 30 20 GBED CCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1340391028 VMOVJBNEONAIBU-UHFFFAOYSA-N 394.453 -0.456 30 20 GBED CC(C)NS(=O)(=O)N1CCN(Cc2cc(O)n3ncc(C#N)c3n2)CC1 1460103307 WWZIBXFCLKZJQB-UHFFFAOYSA-N 379.446 -0.333 30 20 GBED C=CCOCC(=O)N[C@@H]1CCN(c2cc(-c3nn[nH]n3)nc(CC)n2)C[C@@H]1O 1573342805 DWRKGMXOWAFJQX-YPMHNXCESA-N 388.432 -0.523 30 20 GBED COC(=O)c1cccc(Cn2c(=O)c(C#N)c(C)n(C)c2=O)c1-c1nn[nH]n1 1579488182 ZITFVZPCADZTIE-UHFFFAOYSA-N 381.352 -0.258 30 20 GBED N#Cc1ccc(N2C[C@@H]3C(CNC(=O)c4ccc(-c5nn[nH]n5)[nH]4)[C@H]3C2)nn1 1581871503 XQCGJJPRXIJYOC-VXGBXAGGSA-N 376.384 -0.031 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@@H]2O)nn1 1588621054 TUINFWKMVJJKJW-DOMZBBRYSA-N 396.415 -0.591 30 20 GBED C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1589895985 WVGYTFTZMFXIPW-LLVKDONJSA-N 394.395 -0.004 30 20 GBED COc1ccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1-c1nn[nH]n1 1591599715 IYXYZAATGUFVFE-LLVKDONJSA-N 379.402 -0.566 30 20 GBED C#Cc1ccc(C(=O)NC[C@H](O)CNc2ncc(-c3nn[nH]n3)cc2F)nc1 1602737719 XHRXBOHKAPKECG-GFCCVEGCSA-N 382.359 -0.020 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)nn1 1602846194 GDPIPSUHUFSYFT-LLVKDONJSA-N 381.404 -0.167 30 20 GBED N#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 1606350067 NWAUDBLFKXOVNI-MPKXVKKWSA-N 383.416 -0.583 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(C(=O)NC)CCC2)C[C@H]1OC 1757148033 KFJCBCOGUJQHMK-APIJFGDWSA-N 379.457 -0.164 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4ccccn34)C2)C1 1777827933 ZZIHWCWEGPQPOA-LJQANCHMSA-N 382.376 -0.134 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1778970252 ASHKSZYIBXLBPT-UGSOOPFHSA-N 378.429 -0.735 30 20 GBED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 1784380567 QQOSMFSSLZBVOZ-ULQDDVLXSA-N 399.447 -0.305 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1784503427 ZFAJFVKGZYJKSC-QPSCCSFWSA-N 378.433 -0.756 30 20 GBED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)C[C@@H]4NC(=O)NC4=O)CCO3)C2)CCC1 1785363206 RCTJQXFQIVBJFM-KPZWWZAWSA-N 389.412 -0.892 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOCC3)[C@H]2C1 1786721172 QKLCAVKQCALEMP-OWSLCNJRSA-N 393.484 -0.663 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC(C)=O 1792530944 GMDGNOQJZZJXQG-FMPTWSOUSA-N 379.457 -0.471 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2 1797708269 NRWQCWQXWPXEMN-FQLMCAECSA-N 377.445 -0.559 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@](C)(O)CC(=O)O 1801002662 GDSKYSVYTBMUGR-VUWABONQSA-N 396.440 -0.770 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)C(C)C)C2)C1 1831388551 USJMBYNRDNOBOU-GJYPPUQNSA-N 382.457 -0.502 30 20 GBED Cc1noc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)n1 1835342636 ZSCJSWARAWPARQ-SFHVURJKSA-N 389.412 -0.319 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1837695239 WNTMBQULKOWISQ-AUUYWEPGSA-N 390.440 -0.563 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)C=C)CCO2 1837703100 VRNZDAFXBZSIQF-OXJNMPFZSA-N 391.468 -0.063 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1840041238 ZJEKPOXQWUUGMS-MRXNPFEDSA-N 397.771 -0.514 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSCC(=O)O)CCO2 1840192000 HFSKZMIKYDVYQT-MRXNPFEDSA-N 385.442 -0.436 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1840843112 VGZGCHMWACNDLY-LJQANCHMSA-N 388.424 -0.031 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1840844490 YTJZFZUJVGVHIE-MAUKXSAKSA-N 398.481 -0.567 30 20 GBED CC/N=C(/NC[C@@H]1COCCO1)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 261939218 DFASYAJIQJALST-IAGOWNOFSA-N 381.521 -0.004 30 20 GBED Cn1cnc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 268074659 DPSQETZPDRQTJU-UHFFFAOYSA-N 389.441 -0.686 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCN2CCS(=O)(=O)CC2)cc1 298473520 RALRSSLHWYPSFT-UHFFFAOYSA-N 399.494 -0.942 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCOC[C@@H]2C#N)c1 330923692 DQIGYPJYKBKXLU-ZDUSSCGKSA-N 382.442 -0.370 30 20 GBED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C1(C)C 349517657 FWXZSDXOXJFIMD-LBPRGKRZSA-N 394.519 -0.616 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCO[C@]2(CCOC2)C1 349559513 WDXIXBIKVMOGTE-MELADBBJSA-N 395.503 -0.535 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)NC[C@H]1CCOC1 349601156 JIMZJVACDSYGPK-OLZOCXBDSA-N 397.544 -0.397 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)N3CCO[C@H](C#N)C3)C2=O)cc1 410388299 PVFWVGHNFBWCEI-HZPDHXFCSA-N 389.437 -0.282 30 20 GBED CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 439603098 JBKJRUJWWJKJPB-UHFFFAOYSA-N 377.449 0.483 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)CNC(=O)c3ncccc3O)CC2)c1C#N 472298612 VDAGWGFABRUBDC-UHFFFAOYSA-N 383.412 -0.221 30 20 GBED COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NCC(=O)NCC#N 511010268 IOMRNVDSNWDTJI-UHFFFAOYSA-N 388.833 -0.032 30 20 GBED C[C@H](CCN1CCN(C)CC1)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 571815801 UIDUEZYXZPMHMZ-OAHLLOKOSA-N 393.513 -0.021 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)c1 578309165 NAKLEDCWYYPPGJ-ZDUSSCGKSA-N 382.486 -0.053 30 20 GBED COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 588123866 NAPAFKFSDQTGNH-CABCVRRESA-N 393.488 -0.520 30 20 GBED C#CCOc1ccc(C(=O)N2CCN(CC(=O)NCc3cnn[nH]3)CC2)cc1 734328496 LGCMWHFPQDJSEO-UHFFFAOYSA-N 382.424 -0.109 30 20 GBED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C#N)c(-c2nn[nH]n2)c1 735475494 QPIRNCBHQXICFU-CQSZACIVSA-N 382.384 -0.196 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCSC[C@H]2CC(=O)O)c1=O 736116428 AKQHWDGTFIOBDD-GFCCVEGCSA-N 382.442 -0.607 30 20 GBED C[C@H](CC(=O)N[C@H]1CCN(C(N)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742668982 HDTURSPXRDCZHF-MNOVXSKESA-N 379.442 -0.227 30 20 GBED COC(=O)N1CC(NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 763423760 LHOBOLGCMJTFCN-UHFFFAOYSA-N 383.368 -0.047 30 20 GBED COc1ccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(F)c1 771899102 ZWMPUINUNOLODV-UHFFFAOYSA-N 384.389 -0.066 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CNc1ccc(-c2nn[nH]n2)cn1 825937429 DHFOJZUMGQNZMJ-UHFFFAOYSA-N 381.404 -0.058 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCn1cc(C(N)=O)cn1 851495948 GXQPHFRHGXKLRV-NSHDSACASA-N 391.409 -0.236 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CN(C)Cc3ccccc32)CC1 893855110 CQOWSBMYSWHLCH-QGZVFWFLSA-N 391.497 -0.032 30 20 GBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C=C)C[C@@H]1O 969331872 KJQAKTUUHINDGB-SIXLDLHFSA-N 385.420 -0.014 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn(C)c2OC)C1 969438257 IZZGROGVXNROEY-ATGSNQNLSA-N 378.429 -0.289 30 20 GBED C#CCN1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@H]3C2)CC1 986247202 XOFHFZIVHNCLJK-XDNAFOTISA-N 386.496 -0.240 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C1 1024318045 UITVBNSTJFZBNJ-SYQHCUMBSA-N 376.413 -0.721 30 20 GBED C#CCN1CCOC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)n1 1070587695 CUEVOURCZQLQLL-TTZDDIAXSA-N 375.429 -0.521 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNS(=O)(=O)CC 1110678823 JGDWNGIEOPORDN-NCOADZHNSA-N 382.530 -0.255 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)nn1 1118115986 MDBRMWSCVNCFRP-AWEZNQCLSA-N 396.473 -0.893 30 20 GBED C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccnnc2)CC1 1118350216 UYCTYLFCIYXDOC-UHFFFAOYSA-N 387.487 -0.811 30 20 GBED COc1ccc(OC)c2c1CN(C(=O)C(=O)N1CC[C@@](O)(CC#N)C1)C[C@@H]2O 1261483882 HLSNVAHAORVRPP-DJJJIMSYSA-N 389.408 -0.044 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1)[C@H]1CCCO1 1323588133 RSJUSWHAVSCWAX-MBNYWOFBSA-N 375.385 -0.865 30 20 GBED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)NCC2(CC#N)CC2)CC1 1326144915 QFPMOEWCIWMJNE-UHFFFAOYSA-N 386.474 -0.693 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCC2(CC(N)=O)CC2)CCN1Cc1ccccc1 1326454806 GIMWKSZGRGSIAU-INIZCTEOSA-N 383.452 -0.005 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H](C)CC2(C)OCCO2)CC1 1329192480 WOXCYSAETVQLOM-AWEZNQCLSA-N 379.457 -0.120 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 1330239233 DBENSWUJGPDZIU-YDHLFZDLSA-N 391.428 -0.065 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CNC(=O)C2)cc1 1333040926 CFJURUQMTZGARQ-NSHDSACASA-N 386.455 -0.755 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@H]4C[C@@]4(CO)C3)CC2)c1C#N 1344966260 ZVOGGDPZKHVHIM-PXAZEXFGSA-N 375.454 -0.187 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)nn1 1345710383 JIESKTWKISHFNT-UHFFFAOYSA-N 397.443 -0.657 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCC1 1360716003 ZECMTSWISRMWTG-KBPBESRZSA-N 397.505 -0.287 30 20 GBED C#CCN1CCC(N(Cc2cnn[nH]2)C(=O)CN(C)CC(=O)NC(C)C)CC1 1574985870 NNPSNKQWCGWRID-UHFFFAOYSA-N 389.504 -0.313 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588442569 IWOGPYJXQMBLNX-SUNKGSAMSA-N 389.416 -0.617 30 20 GBED C=CCOCCCC(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588681557 FGJZRVOFSXUVOY-UHFFFAOYSA-N 389.416 -0.519 30 20 GBED C=C(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)O 1602754809 WBSJPQRTQJGRIA-AWEZNQCLSA-N 395.437 -0.044 30 20 GBED C=CCn1cc(C(=O)N(CCO)CCN=c2cc[nH]cc2-c2nn[nH]n2)nn1 1602882568 NJYGSEVSNVYWHD-UHFFFAOYSA-N 384.404 -0.992 30 20 GBED C=CCn1cc(C(=O)NC2(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)nn1 1602882773 SLJVCDCTUXXARQ-UHFFFAOYSA-N 382.388 -0.335 30 20 GBED N#Cc1cccc([C@H](C(=O)O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 1610629754 BIQNIEHGQMOHNG-HRCADAONSA-N 379.438 -0.541 30 20 GBED CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1722919180 QYQWTVFQLANIHV-MLGOLLRUSA-N 383.474 -0.146 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)C3(Br)CC3)C2)C1 1781347732 GUEQEERBTLZIDU-CQSZACIVSA-N 385.214 -0.168 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CSCC(=O)O)C2)C1 1783951481 BOLATUIZFLAHRN-SUMWQHHRSA-N 384.454 -0.328 30 20 GBED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)CC)[C@H]2C1 1784444538 NXZFVMSOQVEQOB-AJNGGQMLSA-N 387.502 -0.130 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCOC 1792838921 NQYYBFOKYIHMPB-GZHYHUHOSA-N 379.457 -0.139 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ncccc13)C2 1793342736 NTOGFTGRTWQCBF-AFIMGQEJSA-N 397.435 -0.029 30 20 GBED C[C@H](Nc1nccs1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1796416356 AXACIUIRGQXNNN-OHTBPHCPSA-N 392.437 -0.379 30 20 GBED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CNC(=O)O2)C3)c1 1798858305 KJSBFJKEGYQADO-FZKCQIBNSA-N 384.392 -0.130 30 20 GBED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2)C(F)(F)F 1800549678 KOHWIYYTQMNCAR-PPCPHDFISA-N 377.363 -0.583 30 20 GBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc(C)c(O)nc1=O 1801971081 RNVDPHRIGHATNR-XOIINTDNSA-N 388.424 -0.740 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)C1 1829660805 FOJBMHNTCHFOJZ-IBGZPJMESA-N 393.440 -0.139 30 20 GBED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)n1cncn1 1830064301 IJPYVGFOSDRKNB-RDTXWAMCSA-N 390.444 -0.155 30 20 GBED Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)no1 1832930722 NUPFVCGPOBWQCP-BZNIZROVSA-N 384.458 -0.305 30 20 GBED CCc1oncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834521954 BXAMVJYMTMXHRX-SFHVURJKSA-N 391.380 -0.605 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1835354794 CPVHFDKFLVEXGO-KRWDZBQOSA-N 375.385 -0.444 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1836000706 JSYAXIWBCQQBFQ-HXUWFJFHSA-N 387.436 -0.282 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836139224 HSMKXLNWGGSPND-YJBOKZPZSA-N 377.445 -0.053 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1 1839191770 GJCATERGWMULGT-WBVHZDCISA-N 390.502 -0.594 30 20 GBED O=C(O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840191322 SHXKOVKWZXPDBR-SFHVURJKSA-N 396.465 -0.326 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840228019 DPMDZCJZLRBAIN-RDTXWAMCSA-N 378.429 -0.727 30 20 GBED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1840294405 BAEQHVLGLHOALQ-LJQANCHMSA-N 379.457 -0.098 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCSC1)CCO2 1840867855 RAMMTTWIBLRCHY-KDOFPFPSSA-N 396.465 -0.326 30 20 GBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2cc(C)c(O)nc2=O)C1 1846966766 HHWYBWRTAGLILO-CQSZACIVSA-N 388.424 -0.501 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@](C)(O)CC(=O)O 1847261460 CXMKZSDKIDNNSS-JXWNZAMPSA-N 393.440 -0.338 30 20 GBED C/N=C(/NCCC(=O)N1CCOCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 261863222 ZOECMHBSOARDMI-GOSISDBHSA-N 394.476 -0.879 30 20 GBED C=CCNC(=O)CNS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 272064047 PQLLMIMPEXFCMF-MRXNPFEDSA-N 396.425 -0.670 30 20 GBED C=CCn1c(S(=O)(=O)CC(=O)Nc2cccc(C(=O)NCC)c2)n[nH]c1=O 283817917 CJGHEQVRCZMMNP-UHFFFAOYSA-N 393.425 -0.081 30 20 GBED C=C[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C=C)CO)cc1 290130619 LREPYPDBWRRBIN-RYUDHWBXSA-N 376.456 -0.663 30 20 GBED N#Cc1ccccc1NC(=O)CCN1CCN(C(=O)C(=O)N2CCOCC2)CC1 292483872 BZPFTZWSAXCNOI-UHFFFAOYSA-N 399.451 -0.110 30 20 GBED N#Cc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 299628792 IYUWPVVIKDJSAA-HUUCEWRRSA-N 385.467 -0.666 30 20 GBED CN1C(=O)C[C@H](/C(O)=N/C[C@](C)(O)CN2CCOCC2)[C@H]1c1ccnn1C 328887474 PLZUBMZBGOBETE-OWQGQXMQSA-N 379.461 -0.021 30 20 GBED CCS(=O)(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 330607950 MKDYRDXEONFVQM-INIZCTEOSA-N 385.534 -0.354 30 20 GBED C=CCOC[C@H]1NC(=O)N(Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1=O 348478884 PBZGVKXTRPPHSC-OAHLLOKOSA-N 386.408 -0.118 30 20 GBED CN(C1(C#N)CCC1)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1CO 349515599 HQTLILNDOVWIMY-CYBMUJFWSA-N 379.504 -0.129 30 20 GBED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 369923942 BFPVVXWPRUGAIK-AWEZNQCLSA-N 385.490 -0.981 30 20 GBED Cn1c(NC[C@@H]2CCCN(c3nccn4cnnc34)C2)c(C#N)c(=O)n(C)c1=O 374388883 DTANZLOCRCKCOZ-LBPRGKRZSA-N 395.427 -0.278 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](N3CCNC3=O)C2)cc1 377808117 WFSVUAXPHYGMSY-CQSZACIVSA-N 391.453 -0.147 30 20 GBED C=CCCC[C@H](C)NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 488215690 ILXMCRVVYGRPAO-INIZCTEOSA-N 380.489 -0.150 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)Nc1cnn(CC(=O)N2CCN(C)CC2)c1 510339419 VNNAIXBFDRKPFX-ZDUSSCGKSA-N 383.478 -0.452 30 20 GBED C[C@H](C#N)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 538110305 KTRCFLMTGLMXTE-CYBMUJFWSA-N 393.469 -0.163 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@H](C(=O)OC)C1 543260724 PGMDCDIWRBCFKN-HNNXBMFYSA-N 391.380 -0.078 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 553696120 BXXXRAHNGAMGRZ-UHFFFAOYSA-N 378.458 -0.483 30 20 GBED C[C@@H](C[S@](C)=O)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 575935393 RQNOPFDNAYKVPJ-SAHAZLINSA-N 393.512 -0.124 30 20 GBED COC[C@](C)(C#N)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1 594315158 UULNGNFAOKNDJH-NOLJZWGESA-N 385.417 -0.006 30 20 GBED C=CCn1cc(C(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)nn1 648328133 FJWFSGVQVQJYMD-UHFFFAOYSA-N 379.446 -0.347 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 728589563 HYWMGCJLRLWFSZ-UHFFFAOYSA-N 380.426 -0.041 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Cc2c(C)nc3c(c(O)nn3C)c2C)CC1 729534151 ZTEWMCIJBSIOJF-UHFFFAOYSA-N 398.467 -0.273 30 20 GBED N#CCNC(=O)COC(=O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 731238724 FAUSXVVPTHWNGJ-UHFFFAOYSA-N 390.761 -0.291 30 20 GBED CN1CCN(CCCN(C)C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787754937 IQVHSHPZQYOXEY-UHFFFAOYSA-N 387.488 -0.423 30 20 GBED C#CCn1ccc(CN(CC)C(=O)NCCS(=O)(=O)N2CCOCC2)n1 788941887 SJFPUKVPKFTJCT-UHFFFAOYSA-N 383.474 -0.290 30 20 GBED C[C@@H](CC(=O)NCCn1cnc(C#N)n1)/N=C1/NS(=O)(=O)c2ccccc21 803554132 ZVKIHMUNVPMFHH-NSHDSACASA-N 387.425 -0.217 30 20 GBED CCOC(=O)CON=C(C(=O)N1C[C@H](O)C[C@@H](C(=O)OC)C1)c1cc[nH]n1 844120553 ZTFDEFUCDHOQEC-GHMZBOCLSA-N 382.373 -0.924 30 20 GBED C#CCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)CC1 848638335 GFFSNSDWDNDGGY-UHFFFAOYSA-N 382.467 -0.572 30 20 GBED C[C@H](CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)S(N)(=O)=O 853990967 YRVTYEURIZZWRU-VWYCJHECSA-N 375.451 -0.278 30 20 GBED C#CCSCC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 895670893 HVPOTECVUCJNSR-ZIAGYGMSSA-N 375.516 -0.149 30 20 GBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)nn1 970852100 GVBQDHBPAPRDST-NHIYQJMISA-N 385.428 -0.697 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C 994647076 VWEHTLBHBVWGPF-NGFQHRJXSA-N 377.441 -0.159 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@H]1O 1025711485 VYJGHEOJFFDWQK-VQHPVUNQSA-N 376.457 -0.060 30 20 GBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CN(c2nccnc2C#N)C[C@@H]1n1ccnn1 1051472598 RUVRGCJWVDZOJJ-ATGSNQNLSA-N 384.400 -0.710 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC2CCOCC2)C[C@H]1O 1077019374 RIAAXYYRLDSQOG-VQHPVUNQSA-N 381.473 -0.576 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@@H]1O 1083848418 BKMNYNMJMOKFTB-FQLMCAECSA-N 380.445 -0.929 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(C)(C)NC(=O)NCC=C 1111462132 HEOWDZPFHQMIEN-KFWWJZLASA-N 375.473 -0.279 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N[C@H]1COc2ccccc2C1 1117060326 WFXCUPXVIQMLSU-PHODEOQFSA-N 384.392 -0.251 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 1117317756 YZPSZTQJIALKDE-UHFFFAOYSA-N 379.505 -0.625 30 20 GBED Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@](O)(CC#N)C2)cn1 1118250170 NZUOFRMKFQJLCQ-HDMKZQKVSA-N 375.429 -0.288 30 20 GBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)C1 1147958426 FHCDGJOJOIDXOJ-LTIDMASMSA-N 375.469 -0.290 30 20 GBED Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@@]3(O)CCOC3)CC2)c1C#N 1290576463 FQTIVGRVOPMTNZ-SFHVURJKSA-N 386.460 -0.022 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 1325697195 NYOYXYSXWFGYCS-JTQLQIEISA-N 399.391 -0.770 30 20 GBED C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1335886471 DVLWIDMOEYJJAC-QOHXFFFDSA-N 389.481 -0.030 30 20 GBED N#Cc1cn(CC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c(=O)nc1O 1441604821 MITSMLKYAHZCJZ-UHFFFAOYSA-N 383.364 -0.068 30 20 GBED C=CCCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573337360 WIFQOWISKSDLSJ-LLVKDONJSA-N 389.416 -0.521 30 20 GBED C=CCNC(=O)Cn1c([C@H]2CCCNC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1574937534 ZCQVVNKWCGXHLG-KBPBESRZSA-N 375.477 -0.286 30 20 GBED C#CCC[C@H](O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C(=O)OC 1588336746 FHTWCQYQFBXCQA-NSHDSACASA-N 379.398 -0.294 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nn[nH]n3)cn2)cn1 1588371846 WPEWIQCRPUATMK-CQSZACIVSA-N 391.395 -0.332 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[nH]n1 1588406019 RAVPMPNKOZKGKE-NSHDSACASA-N 389.420 -0.164 30 20 GBED C=CCn1cc(C(=O)N[C@H]2CCCN(c3nccnc3-c3nn[nH]n3)C2)nn1 1588712831 DYUSPBQQNBOFFH-NSHDSACASA-N 381.404 -0.167 30 20 GBED NC(=O)CNC(=S)NN=Cc1cccn1Cc1ccccc1-c1nn[nH]n1 1606417083 MKEVUNMFQWDQJF-UHFFFAOYSA-N 383.441 0.000 30 20 GBED N#Cc1cn(CCNC(=O)C2CCN(C(=O)N3CCCC3)CC2)c(=O)nc1O 1646147585 LHLVZCSNTPMOKQ-UHFFFAOYSA-N 388.428 -0.135 30 20 GBED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1750970287 QQWPTVANJZGSOW-LBPRGKRZSA-N 399.477 -0.964 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1778949712 DDTTUOHHVXQMQV-KHYOSLBOSA-N 394.472 -0.438 30 20 GBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(S(C)(=O)=O)cn1)CCO2 1783048172 RHEPQBGYUFINPK-KRWDZBQOSA-N 377.422 -0.438 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21 1788572646 MKFDEEVPGBIVSE-YHUYYLMFSA-N 391.472 -0.169 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4c[nH]c(=O)cn4)C[C@@H]32)c1 1789345673 SQVODGUDCVPHNQ-XEZPLFJOSA-N 396.407 -0.123 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C3)[C@H]2C1 1790857220 ULMCCIAUQXJZTJ-XFIYOXNOSA-N 393.484 -0.325 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCOC1=O)C2 1792561682 DZIYJBINRTZRFP-BNHNOLAQSA-N 390.440 -0.065 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C 1792626184 DEGNETLABSAOJB-FQLMCAECSA-N 396.488 -0.580 30 20 GBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O 1794270727 MODNLVRJZKQMHS-HNCHTBHHSA-N 378.454 -0.298 30 20 GBED CC(C)N1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CC1 1800774380 ZFVFCMRVXBUTQO-HGKCTWBKSA-N 391.468 -0.216 30 20 GBED C[C@@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801985270 ZZHSJHHRQVKRMS-VLWCASSMSA-N 393.440 -0.114 30 20 GBED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1 1822203763 NYLUZADZKQMKBV-GFCCVEGCSA-N 399.363 -0.585 30 20 GBED O=C(O)CSCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831225038 PPNSUHOORNIXNQ-SFHVURJKSA-N 396.465 -0.326 30 20 GBED CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1831345639 LKWQHBIVDDABQX-SWLSCSKDSA-N 394.515 -0.804 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C)COC3)C2)C1 1831386588 AVXIWJPVEUKKFF-KXBFYZLASA-N 380.441 -0.482 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1832462544 NAUQPJAVAVUPFT-QGZVFWFLSA-N 382.438 -0.550 30 20 GBED Cc1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1834288782 WGYGCEZIXOHUJT-LJQANCHMSA-N 387.392 -0.452 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1834755861 FDOBAMJRRAYVEU-KRWDZBQOSA-N 376.369 -0.931 30 20 GBED CN(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1835386457 KMDJDXMEPAKBFM-IBGZPJMESA-N 389.456 -0.092 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCOCC1)CCO2 1835399897 PNZAHGPJFAYTOT-IBGZPJMESA-N 379.457 -0.812 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835503599 DNYBHJBGMNLVGJ-CXAGYDPISA-N 398.485 -0.892 30 20 GBED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1837313878 DYZQKCUXZSPPDQ-DNVCBOLYSA-N 394.472 -0.121 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)c1 1838737538 YARNSYUJVYGXKA-KHYOSLBOSA-N 388.424 -0.273 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](COC)NC(C)=O)C2 1844237194 FMSHLIGQVBKNQI-HUUCEWRRSA-N 381.473 -0.086 30 20 GBED N#Cc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)N2CCOCC2)cc1 1847308474 OZMDUKCLUVVSFY-CMKODMSKSA-N 398.463 -0.047 30 20 GBED C/N=C(/NCCNS(=O)(=O)c1cccnc1)N[C@@H]1CCc2nc(C)nn2C1 261826763 NZAIOOIGLSDQMX-CYBMUJFWSA-N 392.489 -0.560 30 20 GBED C/N=C(/NC[C@@H]1CCS(=O)(=O)C1)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 262344570 DCSRXMHVNUUKPM-GJZGRUSLSA-N 385.534 -0.765 30 20 GBED CS(=O)(=O)N[C@H]1CCC[C@@H]1C/N=C(/N)N1CCN(c2ncccn2)CC1 262474379 ZMXIUQSMACNFOV-KGLIPLIRSA-N 381.506 -0.369 30 20 GBED N#Cc1ccc(N2CCN(C(=O)CN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)CC2)nc1 266242823 FQIBNPUQVOBSMB-DTTOXWODSA-N 395.419 -0.236 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 273088897 ZLINZIGESULQNL-UHFFFAOYSA-N 392.437 -0.750 30 20 GBED C=CCS(=O)(=O)CCNC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 273144202 XOBHUNJXORINTO-AWEZNQCLSA-N 397.453 -0.126 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@H]3CC(=O)N(C4CC4)C3)CC2)c1 286943014 NZIGHFGAEDOGNW-OAHLLOKOSA-N 396.451 -0.271 30 20 GBED CCN(C)C(=O)CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 288668030 RXSBRPQIESTMDV-HNNXBMFYSA-N 385.424 -0.630 30 20 GBED C[C@@H]1C(=O)NCCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 288703977 UTZARJBAXZIDQQ-DOMZBBRYSA-N 383.408 -0.878 30 20 GBED C=CCCOCCNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 289460785 UZZWIGPPZNBFMU-UHFFFAOYSA-N 380.489 -0.292 30 20 GBED N#CCNC(=O)CNC(=O)CN1C(=O)COc2cc(Br)ccc21 376195865 DNDSGERDKROFOU-UHFFFAOYSA-N 381.186 -0.070 30 20 GBED CCNS(=O)(=O)c1ccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1 409495542 NNIVOOANSSHAFB-ZDUSSCGKSA-N 388.471 -0.456 30 20 GBED N#Cc1ccc(OC2CN(C(=O)C(=O)N3CCN([C@H]4CCNC4)CC3)C2)cc1 423564508 OWAKVFBULAHACT-INIZCTEOSA-N 383.452 -0.346 30 20 GBED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)CC1 504456006 AWMXXPRCQDNYDQ-UHFFFAOYSA-N 379.380 -0.266 30 20 GBED COC(=O)CSCc1cccc(NC(=O)C(=O)NCC(=O)NCC#N)c1 508969263 MRTAMRMIXVLDDA-UHFFFAOYSA-N 378.410 -0.213 30 20 GBED CN1C[C@H]2CN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)C[C@H]2C1 519716379 VKOIVNSNOQPNEO-BETUJISGSA-N 378.520 -0.579 30 20 GBED COCCc1noc(CC2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)n1 528120815 WRLNBEQYVDJSHW-UHFFFAOYSA-N 388.428 -0.013 30 20 GBED CCN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 555840846 DXUBVNLTXCDJLI-CYBMUJFWSA-N 385.467 -0.128 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)CC1 571620270 SZDRYBTWTNYJIB-HZPDHXFCSA-N 396.451 -0.129 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 595406659 FJVWTCMEGFAVLZ-UHFFFAOYSA-N 394.450 -0.330 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)Sc2nnnn2C2CC2)CC1 728530467 GTQDAOYCBNMOCL-LBPRGKRZSA-N 377.474 -0.618 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC3(CC2)C[C@H]3C(=O)OC)c1=O 733792115 LCGDYJXZQWBMHJ-AWEZNQCLSA-N 390.440 -0.224 30 20 GBED C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 735431411 DENAHNFECMPVPS-UHFFFAOYSA-N 391.457 -0.525 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)CO)CC2)ccc1F 778400655 CFMDZEDXPZBZPV-UHFFFAOYSA-N 385.417 -0.433 30 20 GBED Cn1c(=O)c2nc(Br)n(CC(=O)NC3(C#N)CCC3)c2n(C)c1=O 783979050 HERXKZXWGGPGPI-UHFFFAOYSA-N 395.217 -0.241 30 20 GBED C#CCNc1nc(N[C@H]2CC(=O)N(CC)C2)nc(N[C@H]2CC(=O)N(CC)C2)n1 828983508 MRPXAQRAFXADGH-STQMWFEESA-N 386.460 -0.018 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccccc2C(=O)OC)CC1 831568722 QBIKAJCKVVDYKV-UHFFFAOYSA-N 379.438 -0.373 30 20 GBED N#Cc1cc(F)ccc1N1CCN(C(=O)C(=O)N2CCn3ncnc3C2)CC1 867483637 FYXXPHGYKWWBQJ-UHFFFAOYSA-N 383.387 -0.020 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@@H]1O 964194232 WJCDIMYBJRYUCQ-YXPYIKCWSA-N 390.440 -0.547 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CN1C(=O)CNC1=O 984092556 DBYLGDTZLQOCQM-BARDWOONSA-N 392.456 -0.127 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(OC)nc2)C[C@H]1O 1023958737 TXMOUFMFLGXMDP-TUVASFSCSA-N 376.413 -0.232 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCc2cnn(C)n2)C1 1070294206 MCJJTAZXPPNQQW-YVSFHVDLSA-N 386.460 -0.071 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2noc(CCOC)n2)C[C@@H]1O 1083470692 HJWGOIKVQZIHLL-KBXIAJHMSA-N 380.445 -0.099 30 20 GBED C=CCN1CC[C@H](N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CC2CS(=O)(=O)C2)C1=O 1097377110 RSUVDVBWGIILFY-WCVJEAGWSA-N 381.498 -0.071 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCCN1CCOCC1 1111147503 ZVARAUSIAPHRBW-KURKYZTESA-N 376.501 -0.040 30 20 GBED N#CCCCCNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1117193871 LDRGOCREBWYVHZ-UHFFFAOYSA-N 387.444 -0.558 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CCN1c1nccn2cnnc12 1117904313 BIVSZDBIYLTLJF-PXAZEXFGSA-N 386.391 -0.374 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCC)C[C@@H]1n1ccnn1 1129313066 VYRPQZYUQYSNRM-IVSAIRAKSA-N 376.461 -0.263 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(=O)NC(C)(C)C)C[C@H]1O 1196275424 BLDWNRLFWGMTOT-SYQHCUMBSA-N 382.461 -0.637 30 20 GBED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cnc2c(C#N)cnn2c1 1261493028 HBIVSXJRLHZLTO-CQSZACIVSA-N 376.442 -0.274 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H](N4CCNCC4)C3)CC2)cn1 1261891470 IIMQAJHQFONVHW-SFHVURJKSA-N 397.483 -0.892 30 20 GBED CCOCCO[C@H]1CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1322696376 WCAKQLTZJNJILR-PVEMMZBWSA-N 394.428 -0.717 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccccc2O)CC1 1323996472 BENMXNLOVMCVAY-UHFFFAOYSA-N 381.454 -0.242 30 20 GBED C#CCCCCNC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 1324810210 VFXIYIMTOSYEMC-UHFFFAOYSA-N 387.502 -0.195 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C3(S(C)(=O)=O)CCOCC3)CC2)c1C#N 1325518488 YAQXKMZUPJNWCK-UHFFFAOYSA-N 395.485 -0.157 30 20 GBED CN1CCN(C)[C@@H](CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 1325891943 HTPZRUSFSCBQSG-ZDUSSCGKSA-N 382.428 -0.561 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1329618637 LWVWLTADGRKPPT-HZPDHXFCSA-N 380.489 -0.151 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cc(OC)ccc2OC)CC1 1332386296 ZMVQMUDIFVNXJW-UHFFFAOYSA-N 381.454 -0.142 30 20 GBED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C[C@H](O)CC#N)C2)CC1 1559631587 KUUQQSCWTCEIKL-CYBMUJFWSA-N 388.490 -0.172 30 20 GBED CS(=O)(=O)NCC[C@@H]1CCCCN1c1cnc(-c2nn[nH]n2)c(C#N)n1 1580167528 GXQMDRFBMMDMGR-JTQLQIEISA-N 377.434 -0.173 30 20 GBED CS(=O)(=O)NCC[C@H]1CCCCN1c1cnc(C#N)c(-c2nn[nH]n2)n1 1580167566 ISFDNYUFRVMUHS-SNVBAGLBSA-N 377.434 -0.173 30 20 GBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c(F)c1 1581877623 BNQJQFRWDAVZFS-CHWSQXEVSA-N 383.347 -0.420 30 20 GBED C#CCNC(=O)CN1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC[C@H]21 1588354747 XXUDWWDRLGWRMC-SWLSCSKDSA-N 382.428 -0.519 30 20 GBED N#CCSCC(=O)NC[C@@H]1COCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1606351247 QZDWOHQWWKORQS-LLVKDONJSA-N 390.429 -0.591 30 20 GBED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2C[C@H](O)C[C@@H]2C(=O)O)CC1 1608173076 AZSILEWCJRSEIV-MCIONIFRSA-N 378.454 -0.023 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC2(O)CCC2)C1 1782783165 ZGBVEBKFFNBNQK-RDTXWAMCSA-N 378.425 -0.107 30 20 GBED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]32)C1 1783460603 QENXGLMBSOPTSP-TUUVXOQKSA-N 378.473 -0.475 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C=CCN3)C[C@@H]21 1783531055 JVZGHIILPFHLGF-FWWYNNPBSA-N 388.468 -0.648 30 20 GBED CN(C)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)nc1 1783557412 LPENMVJDSYJLDZ-IBGZPJMESA-N 386.408 -0.321 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnnc(Cl)c1)CCO2 1783558401 YYIMTRYTTYPQKV-MRXNPFEDSA-N 378.772 -0.339 30 20 GBED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783558833 ZUHHRTNGMKLAJP-PJIJBLCYSA-N 392.408 -0.506 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)C3CC3)[C@H]2C1 1784004232 WFFAEBFMNPDBIN-FCLICNRPSA-N 389.452 -0.196 30 20 GBED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785383508 RSSKOLXMWBIEBA-FQEVSTJZSA-N 397.387 -0.145 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21 1788570296 QPYMZVJCUWZAKY-YYFQZIEXSA-N 395.456 -0.352 30 20 GBED CC(C)(C)OC(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791072318 BXNOSEFISPJURU-IHRRRGAJSA-N 394.424 -0.214 30 20 GBED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccnn2)C3)cc1 1792557287 IHZRVLRHVASKHH-XEMDLRDOSA-N 394.435 -0.018 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1793353576 IMJKAGMUEZPILO-SVZOTFJBSA-N 379.457 -0.307 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 1795389939 XGUUWSHTNXRXIF-UMPJEAMMSA-N 393.440 -0.636 30 20 GBED CC(C)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)C(C)C 1795718759 OXJLTCUXVXNJGO-DACLVMHWSA-N 379.457 -0.313 30 20 GBED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(O)O)C3)ccc1F 1799324599 KCQOKCBZDBRHIM-YWVIFJGQSA-N 377.372 -0.860 30 20 GBED N#CCCC(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804187812 SYLXEFCPACSEJI-KBXCAEBGSA-N 398.423 -0.057 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1831493377 RRCZATWKMAKNGL-PBHICJAKSA-N 398.485 -0.727 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccns1)CCO2 1833779293 SCUNZTMOSDDPIU-INIZCTEOSA-N 379.394 -0.699 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncs1)CCO2 1834471409 ZMTNNJKMQHLIMJ-INIZCTEOSA-N 379.394 -0.699 30 20 GBED Cc1nn(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)c1F 1834760176 IIKYFUXILSQTTN-QGZVFWFLSA-N 379.392 -0.149 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)NCC)CCO2 1837385251 QDGCZXRNCOKEEJ-KSSFIOAISA-N 382.461 -0.274 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2 1837530783 QNZOSFHYBAKUDA-RIYWLQNKSA-N 379.413 -0.395 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1840172170 XGKWAVGZKOAYEY-IBGZPJMESA-N 388.424 -0.173 30 20 GBED NC(=O)[C@@H](N)CCC(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1842945557 DWRMLMZCYUJEKX-FNXSWITESA-N 395.460 -0.688 30 20 GBED COCCOCCOCCC(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846249618 IGWLWTKKFWNZOK-UHFFFAOYSA-N 382.413 -0.653 30 20 GBED CN(CCC#N)S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 57484554 OEHCXBOOLLBILE-UHFFFAOYSA-N 391.431 -0.447 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1Cl 266809599 FZFMVZVNXAFFSM-UHFFFAOYSA-N 392.890 -0.194 30 20 GBED CN(C)S(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 291516610 JEYWDQNRTYBSNY-UHFFFAOYSA-N 388.471 -0.500 30 20 GBED N#Cc1cc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cnc1C(F)(F)F 293247830 TUXKWSIKDQKUQZ-UHFFFAOYSA-N 394.317 -0.057 30 20 GBED CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 298202555 UVIQXOKFFAXMRL-CYBMUJFWSA-N 385.467 -0.128 30 20 GBED Cn1cc(S(=O)(=O)N2CCC(/N=C(/O)[C@H]3CN4CCCN3CC4)CC2)cn1 328946653 KBAFLCSMHTXTBB-MRXNPFEDSA-N 396.517 -0.080 30 20 GBED CN(CCO)C1CCN(/C(O)=N/CCS(=O)(=O)N2CCSCC2)CC1 330088542 UVPOSZPWVOTEQD-UHFFFAOYSA-N 394.563 -0.333 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[S@@](=O)C[C@H](C)C1 349451962 CJXMOVKGARTNBI-SMDDFHAHSA-N 385.533 -0.762 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CC[C@H]1O 349541265 VWSRYPKGWMWIPE-QJPTWQEYSA-N 383.517 -0.910 30 20 GBED CN1CCN(c2cc(CNS(=O)(=O)N3CCO[C@H](C#N)C3)ccn2)CC1 409560757 CSXWBXLOCKAUSW-OAHLLOKOSA-N 380.474 -0.608 30 20 GBED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H]4C(=O)NC[C@H]43)C2)nc1 411015139 XAENZZOQLQWJQH-RBSFLKMASA-N 383.408 -0.330 30 20 GBED COCCS(=O)(=O)c1ccc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)cc1 428664187 APMQTGRWNKKLNJ-UHFFFAOYSA-N 392.437 -0.012 30 20 GBED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)NC2=O)n1 440485112 HSZMBJGQPGEVDB-LLVKDONJSA-N 384.327 -0.257 30 20 GBED N#Cc1cccc(CN2CCC(NC(=O)C(=O)NCCN3CCNCC3)CC2)c1 593773072 DFOSWXRIHFXDSI-UHFFFAOYSA-N 398.511 -0.340 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCOC2)s1 594637491 FJQFLPWTTHOSNG-SECBINFHSA-N 380.473 -0.145 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1cc(C(=O)OCC)cc(S(C)(=O)=O)c1 595221438 DDVPRIPIJYJIFS-LLVKDONJSA-N 384.410 -0.132 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@@H]3COCCN3)n2)c(Cl)c1 599899512 MBIDUFUGUKZPAO-GFCCVEGCSA-N 388.815 0.440 30 20 GBED C[C@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC[C@H]1N1CCN(C)CC1 601472587 XTATUDGXPQDBAN-ZWKOTPCHSA-N 390.532 -0.471 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Nc1ccn(CCC#N)n1)C2 615538458 OTELRZMBJYWWTL-UHFFFAOYSA-N 387.404 -0.709 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C1=O 661015416 LVPDSJTUQSNNFY-HZPDHXFCSA-N 378.473 -0.445 30 20 GBED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1C 732563434 ZEZSFAMPAZARKH-UHFFFAOYSA-N 389.481 -0.291 30 20 GBED COCCCNC(=O)[C@H](C#N)C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 741430259 JHQAVZRIUPBBEO-CYBMUJFWSA-N 396.444 -0.073 30 20 GBED C#CCN1CCN(C(=O)CN2CCNC(=O)[C@@H]2c2c(C)nc3ccccn23)CC1 748818832 YNEUYLAQDUWKQG-FQEVSTJZSA-N 394.479 -0.107 30 20 GBED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(CC)c2)c1=O 758077415 PTLDLMYJCLVONF-UHFFFAOYSA-N 397.460 -0.879 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)OC)CC1 772633431 AGXHVWKZWJQVIZ-GJZGRUSLSA-N 385.486 -0.585 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1)[C@H]1CCCO1 773797342 RHMBMQNFQZENAE-LSDHHAIUSA-N 387.392 -0.175 30 20 GBED NC(=O)c1cc2c(nc1O)CCCC2=NNC(=S)NCCN1CCOCC1 788951992 PJZPCMUMMHWAKH-UHFFFAOYSA-N 392.485 -0.277 30 20 GBED C[C@@]1(c2ccccc2)NC(=O)N(NS(=O)(=O)N2CCO[C@H](C#N)C2)C1=O 800130048 CLKHLQLREJSJTR-DOMZBBRYSA-N 379.398 -0.573 30 20 GBED C#CCN1CCN(C(=O)CN(C)CCOc2ccc(S(N)(=O)=O)cc2)CC1 814648070 KKWBMYOUGZIDEN-UHFFFAOYSA-N 394.497 -0.578 30 20 GBED C[C@](C#N)(CC(=O)O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 819842075 IJIAIASARMZUGW-CQSZACIVSA-N 384.370 -0.006 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCNC(=O)[C@@H]1CC(=O)O 827756370 ZMRCGHUCQRAWBL-GWCFXTLKSA-N 394.409 -0.973 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN([C@H]2CCNC2)CC1 831688206 LRNYCDYGIZFHAX-AWEZNQCLSA-N 391.497 -0.379 30 20 GBED N#Cc1cccc(CS(=O)(=O)NC(=O)Cn2nc3n(c2=O)CCCC3)c1 845457641 WWRAIKDAQWTLGC-UHFFFAOYSA-N 375.410 -0.101 30 20 GBED N#Cc1ccc(N2CC[C@H](OC(=O)CN3CCS(=O)(=O)CC3)C2=O)cc1 919137024 VLCRNYZFECBTMU-HNNXBMFYSA-N 377.422 -0.063 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](OC)C1 946467863 PEOXREQQNHMFOU-REBRKWNGSA-N 376.413 -0.293 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1OCC 982621428 GNRQIENURIBUNQ-DLTWYDFYSA-N 392.460 -0.366 30 20 GBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CC(=O)N(C)C1=O 1111272646 ZAPMBSFDSAIECL-DGAVXFQQSA-N 377.445 -0.707 30 20 GBED CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CCO1 1261323185 ZDFXOUUTILXQKF-QWHCGFSZSA-N 382.417 -0.511 30 20 GBED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCN3CC[C@@H](O)C3)C2=O)cc1 1329567537 KUCVFPLUTPMGPL-CVEARBPZSA-N 385.424 -0.054 30 20 GBED CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1330319206 PLJCYJQWUORCBV-SJORKVTESA-N 377.489 -0.246 30 20 GBED C#CCNCC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1340616510 STNCBHKTYNRQLW-UHFFFAOYSA-N 394.497 -0.514 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 1342819555 JAMXLQPYQNVKGC-GFCCVEGCSA-N 384.433 -0.367 30 20 GBED C=CCN(C(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)[C@@H](C)COC 1347529079 PYRVTTKEGFXJCX-DLBZAZTESA-N 382.505 -0.441 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)CCN1C1CC1 1348618382 UGTSLXBVAXEMIW-OKZBNKHCSA-N 395.463 -0.087 30 20 GBED C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1 1574660403 OVPLAEZDFWMCMP-HUUCEWRRSA-N 396.517 -0.178 30 20 GBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3cnn[nH]3)nc2)C1 1575012772 GXNDSRQZRVNTCN-HZPDHXFCSA-N 384.396 -0.792 30 20 GBED CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1579863782 SEDRXICRNNUNFS-CHWSQXEVSA-N 380.372 -0.510 30 20 GBED N#Cc1cc(C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nn[nH]n4)nc3)C2)c[nH]1 1581866123 SMJGOCJMVZRTFO-KRWDZBQOSA-N 379.384 -0.167 30 20 GBED C#CCNC(=O)[C@@H](C)NC1CCC(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1588353332 OIRSLAAAQVGUGI-LMWSTFAQSA-N 384.444 -0.037 30 20 GBED C=C[C@@](C)(O)CC(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nn[nH]n3)n2)C1 1588501068 IUNUYXNPDCAIGA-SJKOYZFVSA-N 388.432 -0.068 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)OCC1(C#N)COC1 1589976996 XKDRCLWGPGFGJK-SNVBAGLBSA-N 392.397 -0.383 30 20 GBED COC(=O)CCNC(=O)CCNC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1591264464 BRYCCLMZSJRSKC-AWEZNQCLSA-N 399.411 -0.265 30 20 GBED C#C[C@H]1COCCN1CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O 1602697569 XTJYJWYMFGMGAV-AWEZNQCLSA-N 381.396 -0.078 30 20 GBED C#CCOCCC(=O)N[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@H]1O 1602729453 SBADBEKTUUFBFT-RKDXNWHRSA-N 397.848 -0.318 30 20 GBED C#Cc1cncc(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[nH]n3)nn2)c1 1602745673 OECCQDAYWNUOJI-CQSZACIVSA-N 391.395 -0.332 30 20 GBED CCc1nc(-c2nn[nH]n2)cc(N2CCC(CO)(NC(=O)[C@@H](C)C#N)CC2)n1 1604544880 VJAPPGBUQHOPBQ-NSHDSACASA-N 385.432 -0.174 30 20 GBED O=C(O)[C@@H]1[C@@H](O)CCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1610733661 VXCXLRINRBRNJD-WFASDCNBSA-N 395.437 -0.058 30 20 GBED N#Cc1cn(CC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c(=O)nc1O 1638380817 UXAPHXPBSHARGI-MRXNPFEDSA-N 383.408 -0.296 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](CO)[C@H]3CCCOC3)CC2)o1 1654729714 KFHCKVCRZHAIIN-HOCLYGCPSA-N 377.445 -0.120 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)C1CC1 1751239995 XYKKHCAZXBQNDY-NORZTCDRSA-N 398.489 -0.222 30 20 GBED N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCOC2)CCO1 1771536527 WFHRCOLXJWDGKR-CXAGYDPISA-N 376.417 -0.606 30 20 GBED COC(OC)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779099430 GNHMPFLXNQCXPY-BQUHMRARSA-N 399.444 -0.036 30 20 GBED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)c1 1782057397 YFPNSWJOELYUHA-IBGZPJMESA-N 395.423 -0.003 30 20 GBED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1783683577 GRGMYSFYOBIZFL-KKUMJFAQSA-N 387.440 -0.227 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCOC)[C@H]2C1 1786634478 UTMJQMNSGKCXQX-PVPAMPSESA-N 379.457 -0.139 30 20 GBED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@H]2C1 1786899423 CPDJFBLDLLEOFF-JONQDZQNSA-N 379.457 -0.168 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789762628 BIAYPUPZCVZKHH-NQCBRMCBSA-N 396.488 -0.510 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nnc4cc(C)nn4c3C)C[C@@H]21 1790791522 BDUSWECRELGSCP-KKUMJFAQSA-N 382.424 -0.032 30 20 GBED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCN(C)CC3)C[C@@H]21 1791260305 QREGKBUZEOVJKE-QZWWFDLISA-N 398.573 -0.078 30 20 GBED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N)[C@H]1SC(=N)NC1=O 1795080992 HAMVIJXIWGEGKS-VKISENBKSA-N 379.442 -0.708 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(N)=O 1796321718 ZZUAUBFFBWRZED-XLWJZTARSA-N 396.488 -0.404 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 1797708382 UYPZLPSMMKNHKV-YMSVYLFOSA-N 379.457 -0.572 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nn[nH]c2c1 1800144592 OUFNOSPIPHCLKU-DPIQGUFMSA-N 383.364 -0.751 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncccc3[nH]1)C2 1800779635 QKTLRSLBWPJBRB-KSPBDQMDSA-N 382.376 -0.146 30 20 GBED C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827400877 FJANFSJXVRQLMH-AWEZNQCLSA-N 383.412 -0.321 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835516648 QWSDXFNPZHFBQJ-IINYFYTJSA-N 376.504 -0.612 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838376784 JQEMSHLDRIEBQN-BZNIZROVSA-N 382.442 -0.430 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4c[nH]c(=O)cn4)CCO3)C2)CC1 1838636255 VOXBMGYTENTMIK-SFHVURJKSA-N 387.396 -0.856 30 20 GBED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1839890934 CIQFGJYUBGKZGO-HNNXBMFYSA-N 390.387 -0.678 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1840841539 GVIYLSYJSHGUFW-IBGZPJMESA-N 377.441 -0.521 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](S(=O)(=O)NCC)C2)cc1 271572388 RHJVSHUABPEELC-HNNXBMFYSA-N 399.494 -0.248 30 20 GBED N#Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1Br 287892071 HDAKSVWKMCIHAQ-NSHDSACASA-N 381.186 -0.028 30 20 GBED CNC(=O)CCN(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 289206735 YABDOHJUXKTMOG-HNNXBMFYSA-N 385.424 -0.236 30 20 GBED CO[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C[C@H]1OC 349448639 KESZTDKCMCTSIX-TXEJJXNPSA-N 389.455 -0.477 30 20 GBED O=C1NCCN1[C@@H]1CCCN(CC#CCN2CCC[C@@H](N3CCNC3=O)C2)C1 367054177 IOUJVLLJVRUUAI-QZTJIDSGSA-N 388.516 -0.031 30 20 GBED Cn1cc(C#N)cc1C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 370249937 LADJAZDHKHPQRF-UHFFFAOYSA-N 381.458 -0.332 30 20 GBED COCCN(CCN(C)C)C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460617255 HKYLSIHTDRCBMR-UHFFFAOYSA-N 399.455 0.423 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)C3(CO)CCOCC3)CC2)o1 484647537 AWHJEEDKWWCSHU-UHFFFAOYSA-N 377.445 -0.023 30 20 GBED CC(=O)N1CC(NS(=O)(=O)c2ccccc2S(=O)(=O)NC2(C#N)CC2)C1 514734789 LDYQVUHYBNYDGU-UHFFFAOYSA-N 398.466 -0.470 30 20 GBED CN1CCC(CNc2c(C#N)c(=O)n(C)c(=O)n2C)(N2CCOCC2)CC1 572060102 QNZXFTANJSHBMG-UHFFFAOYSA-N 376.461 -0.836 30 20 GBED COC(=O)CNC(=O)Cc1ccc(NC(=O)NCCn2cnc(C#N)n2)cc1 588234997 RBTVKXBSGCVEPM-UHFFFAOYSA-N 385.384 -0.197 30 20 GBED COCCN(C)C[C@H](O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 593943297 LZBIQOQHVUNLPG-KRWDZBQOSA-N 396.513 -0.196 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 600427106 ZKMLOBCFOKALFW-JTNHKYCSSA-N 385.467 -0.083 30 20 GBED Cc1ccc(C(=O)NCCN2CCN(C)CC2)cc1S(=O)(=O)NCC#N 609411920 GOKVUEBGQZYKCJ-UHFFFAOYSA-N 379.486 -0.226 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)C1=O 610441722 NJVOPWDTSOJVLC-LLVKDONJSA-N 381.385 -0.468 30 20 GBED CC(=NNC(=S)NCC(N)=O)c1ccc(OCC(=O)N2CCOCC2)cc1 731929820 LDVOYLVTDLHCSD-UHFFFAOYSA-N 393.469 -0.402 30 20 GBED Cn1cnc(S(=O)(=O)NCC(=O)OCC(=O)Nc2sccc2C#N)c1 756460847 ATOQADRGKZBHRZ-UHFFFAOYSA-N 383.411 -0.187 30 20 GBED N#Cc1ncn(CCNS(=O)(=O)CCNC(=O)OCc2ccccc2)n1 796143408 PATNQHYYIVINTF-UHFFFAOYSA-N 378.414 -0.004 30 20 GBED C#CCN(C)CCCNC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 818615319 IGMNBYUBQSSRJR-MRXNPFEDSA-N 384.436 -0.012 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nn[nH]n3)o2)c(=O)n1CC 821114203 KVEFQDSQVSRFQG-UHFFFAOYSA-N 399.436 -0.268 30 20 GBED COC[C@](C)(CNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 826148470 JJUUUPARKOYRJM-KRWDZBQOSA-N 397.399 -0.041 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(C)c2-n2cccc2)CC1 831556098 HFPQAMZXLZLVJN-UHFFFAOYSA-N 376.442 -0.564 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N 850606109 PPWXYIQIVMUZTC-SCDSUCTJSA-N 381.410 -0.156 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)Cc2cccc(F)c2)CC1 872515920 XYZUGIBMUORIQQ-UHFFFAOYSA-N 375.447 -0.259 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](OC)C1 946837508 BFBVUCKTRASKAO-DMRZNYOFSA-N 390.440 -0.283 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1O 1023907745 JRKIMBFCCRDNND-BORJPKMPSA-N 379.457 -0.332 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnc2ccccn2c1=O 1109452663 AENORDROCLABKY-SNPRPXQTSA-N 380.408 -0.331 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1CC2(C1)CS(=O)(=O)C2 1110715471 ZYRHZWNCBBFBAL-KFWWJZLASA-N 381.498 -0.165 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCOCCOC)C[C@@H]1n1ccnn1 1129266348 JKWWUOFUCLBQNT-NCOADZHNSA-N 379.461 -0.126 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C=C)C[C@H]1c1cn(C)cn1 1130675024 IQIUFXLYYXYGRN-ATLSCFEFSA-N 385.468 -0.355 30 20 GBED C#CCOc1cccc(NC(=O)C(=O)Nc2cnn(CC(=O)NCCO)c2)c1 1253033732 KIZJLMZYKXJGKE-UHFFFAOYSA-N 385.380 -0.419 30 20 GBED Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)n(CCC#N)n1 1319350289 QVBLLWUBUJTNSS-GFCCVEGCSA-N 382.446 -0.416 30 20 GBED Cn1nc2c(cc1=O)CN(C(=O)C(=O)NCCNc1ncccc1C#N)CC2 1321571140 FTKHHCVTJXPHJX-UHFFFAOYSA-N 381.396 -0.840 30 20 GBED CC(C)(C)[C@@H]1CN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCO1 1324578632 SXVMPHSSFXIKCQ-YCPJBFQXSA-N 378.429 -0.098 30 20 GBED CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cn1 1326543761 BDAXJKDLAKQFJU-SQDTZKNQSA-N 393.469 -0.588 30 20 GBED COCCO[C@H]1C[C@@H](CO)CN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 1326561291 MDRNUZQSXKDRHY-CABCVRRESA-N 393.444 -0.084 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 1326675658 NNPSJHOMHUDXBM-MGPWXQLLSA-N 389.456 -0.427 30 20 GBED CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCO1 1329275098 YLPRRLGHOUEIOE-CABCVRRESA-N 392.456 -0.246 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)nn1 1349046285 RHCYKSNVBKYESW-AWEZNQCLSA-N 398.489 -0.599 30 20 GBED C=C(Cl)C[C@@H](Nc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C)C(=O)OCC 1571234992 PBDBCBZRPJMEIY-MRVPVSSYSA-N 383.796 -0.250 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC2OCCO2)C(=O)O)c1 1573311586 ULRYFZMJJABCDK-ZDUSSCGKSA-N 382.394 -0.456 30 20 GBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CC(=O)NCc3cnn[nH]3)C[C@H]2OC)C1 1575061348 FZYUPZWNPXZLTR-ZIAGYGMSSA-N 390.444 -0.491 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC1(S(N)(=O)=O)CC1 1581855433 AECDAOUKHPXEST-GFCCVEGCSA-N 375.414 -0.514 30 20 GBED N#Cc1cnccc1N1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1581882977 GDQWRWJDODMYCW-KRWDZBQOSA-N 379.384 -0.167 30 20 GBED C#CCN(C(=O)Nc1cnc(OC)c(-c2nn[nH]n2)c1)[C@H]1CCS(=O)(=O)C1 1588348358 RYCSLSNDSDLQHG-NSHDSACASA-N 391.413 -0.076 30 20 GBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 1588353564 WWNKHWUDFQRCBB-TYNCELHUSA-N 382.428 -0.521 30 20 GBED C#CCOCCC(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nn[nH]n2)C[C@@H]1O 1588361700 ROYCOHREOXGBGB-CABCVRRESA-N 385.428 -0.334 30 20 GBED C#Cc1ccc(C(=O)N(CCO)CCN=c2cc(C)[nH]cc2-c2nn[nH]n2)cn1 1588365738 CWOBOFGHYZCOOP-UHFFFAOYSA-N 392.423 -0.085 30 20 GBED C=CCN1CC[C@H](N2C[C@H]3[C@H](NC(=O)c4c[nH]c(-c5nn[nH]n5)c4)[C@H]3C2)C1=O 1588654260 CJVVTSKFZGFLAS-MYZSUADSSA-N 382.428 -0.358 30 20 GBED C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC(=O)O)CC(=O)OC)s1 1588847513 BONMSTUAITWWCU-UHFFFAOYSA-N 390.439 -0.159 30 20 GBED CN(C[C@H](O)c1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)N1CCO[C@@H](C#N)C1 1591052320 WSAJOFMHRAAZSP-KBPBESRZSA-N 385.384 -0.891 30 20 GBED Cc1ccc(C(=O)N2C[C@@H](O)C[C@@H](C(=O)O)C2)cc1S(=O)(=O)NCC#N 1600331789 DELRIUUMRJOHBB-OLZOCXBDSA-N 381.410 -0.296 30 20 GBED C#Cc1cncc(C(=O)N(CCO)CCNc2cnc(-c3nn[nH]n3)cn2)c1 1602742625 HRPMQDIFPWVJPH-UHFFFAOYSA-N 379.384 -0.420 30 20 GBED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)COCCO)CCO2 1779067060 MJRUBZXGSSIZPM-FQEVSTJZSA-N 394.468 -0.476 30 20 GBED CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1782641728 OKYSGOWHNPYGIW-QGZVFWFLSA-N 381.502 -0.150 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)CC)C[C@@H]21 1783530534 BKAIGIFAWOOTCS-BQYGTXGQSA-N 377.441 -0.196 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)C3CN(C)C3)C2)C1 1784780981 RZAHVFQKADSUHC-HMECNJMJSA-N 376.457 -0.764 30 20 GBED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786891951 KKCABWXYJFLUNU-NXOAAHMSSA-N 392.500 -0.248 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1793342226 BGOUZXHCHLYMHQ-WCXIOVBPSA-N 390.484 -0.104 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csc(N)n1)C2 1793342793 RYDFLRNEQWBMNE-NRWUCQMLSA-N 378.454 -0.033 30 20 GBED CNCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1795592834 AOXHVDPSSOKTRU-SCAQPMJSSA-N 379.505 -0.143 30 20 GBED N#CCCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804091610 QMVHZNCSUWZBQC-KSSFIOAISA-N 398.423 -0.057 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)Cn2cnnn2)[C@H]1c1cccnc1 1807610336 RHTGMCQSQHQDPI-QGPMSJSTSA-N 397.439 -0.188 30 20 GBED Cn1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)n1 1830054011 AZVSNWBJHGGFOD-KRWDZBQOSA-N 376.417 -0.565 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831563432 DZQQAPBWOOEFMY-GUYCJALGSA-N 399.469 -0.530 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1832112162 XZBWAAPHMZVCAN-PHSMMYOYSA-N 395.431 -0.341 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1834766945 GVVLTWDMZNBMFC-PXNSSMCTSA-N 387.436 -0.040 30 20 GBED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)o1 1836021760 JLPYYDFKKOGNEK-LJQANCHMSA-N 388.424 -0.210 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=COCC3)CCO2)C1 1840559054 OOLVMDDNTKHSTM-HNAYVOBHSA-N 378.425 -0.215 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1841601873 GLUOSYCPEIWXDJ-IAGOWNOFSA-N 376.501 -0.136 30 20 GBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](COC(C)=O)OC(C)=O)C1 1844284489 ANYKKWORGNLCRM-CJNGLKHVSA-N 394.424 -0.277 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1ccccc1=O 1847261497 RRGBKIYMXDYLLP-KQLNYGGHSA-N 384.436 -0.092 30 20 GBED CN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 109997953 ZFQHEJMLZIZADH-UHFFFAOYSA-N 394.453 -0.254 30 20 GBED CC1C[C@H](C(=O)N2CCN(CC#N)CC2)[C@@H](C(=O)N2CCN(CC#N)CC2)C1 186091072 ZUYHJFNNVJCQTA-ROUUACIJSA-N 386.500 -0.016 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1CCS(=O)(=O)CC1 268438278 ZIOLORCTJUVZRQ-CYBMUJFWSA-N 378.458 -0.884 30 20 GBED COCCc1nnc(SCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)n1N 271695117 QZTIJRWVHMEMKG-ZDUSSCGKSA-N 381.506 -0.035 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCN(c2cnn(C)c2)CC1)c1cc[nH]n1 278020354 PZRIGFKYHWKCSC-LTGZKZEYSA-N 389.416 -0.224 30 20 GBED C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)N1CCN(C)CC1 290483559 MAELUYYFGIGVOJ-AWEZNQCLSA-N 379.486 -0.411 30 20 GBED C[C@H](/N=C(/O)[C@@H]1COCCN1CC(F)F)C(=O)N1CCS(=O)(=O)CC1 329961295 ONEURXMKHOXCHC-QWRGUYRKSA-N 383.417 -0.446 30 20 GBED CC[C@H](/N=C(/O)N1CCC(NS(=O)(=O)CC)CC1)C(=O)N1CCOCC1 331266860 QWJUTKYAYWCEFV-AWEZNQCLSA-N 390.506 -0.059 30 20 GBED C[C@]1(O)CCCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)CC1 349475805 NQDDCCFQISVAFQ-ZDUSSCGKSA-N 379.504 -0.081 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 349482013 QCEZNLYEGIJWKG-KSMPYDNASA-N 397.478 -0.122 30 20 GBED CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NCC(=O)NCC#N)c2ccccc2O1 377207936 LRXJCNNOVMTBTG-AWEZNQCLSA-N 387.396 -0.937 30 20 GBED N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)cc1F 418888666 OYHDQCSIBWSICE-OAHLLOKOSA-N 387.415 -0.264 30 20 GBED COC(=O)CNC(=O)[C@H]1CCCN1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 419366942 ZVDCGWICAUMFCK-CVEARBPZSA-N 393.488 -0.568 30 20 GBED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)cc1 442354272 USWHIMVXPYXZAE-JTQLQIEISA-N 383.430 -0.274 30 20 GBED CCOC(=O)c1c(NC(=O)Cn2ncn(C)c2=O)c(C#N)cn1CCOC 497798588 CIUDGWXADYDOSR-UHFFFAOYSA-N 376.373 -0.283 30 20 GBED CN(CCC#N)S(=O)(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 523386013 HQTFQSHMESOQJS-UHFFFAOYSA-N 395.489 -0.475 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CCO1 558564206 QULKUVAJUYQIBJ-MRXNPFEDSA-N 394.453 -0.282 30 20 GBED N#Cc1ncccc1S(=O)(=O)NCCNS(=O)(=O)c1cccnc1C#N 576893223 AYGCQELYQZNYRI-UHFFFAOYSA-N 392.422 -0.523 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 594637869 LLOIOAKDQSYPAP-ITGUQSILSA-N 379.504 -0.560 30 20 GBED C=C[C@@H]1CN2C(=O)CN(CCN3CC(=O)N(C[C@@H](C)CC1=C)C(=O)C3)CC2=O 642880617 APDAGMJDMRHRBD-GOEBONIOSA-N 388.468 -0.274 30 20 GBED C=C[C@H](CO)NCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 662168100 UBYXJKRWHDWPDQ-GFCCVEGCSA-N 389.424 -0.066 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 728573134 KUAIEEDDDOSFLP-UHFFFAOYSA-N 389.412 -0.091 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NCC2(c3ccccc3)CC2)CC1 761031133 OICNIZHRSRMZOI-UHFFFAOYSA-N 390.509 -0.080 30 20 GBED CC[C@@H](C#N)Oc1cccc(CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)c1 781967907 RYONZRVCMUJQHC-YPMHNXCESA-N 382.442 -0.223 30 20 GBED C=C(C)Cn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 818295026 JSRVSTRTHWAMII-STQMWFEESA-N 382.490 -0.072 30 20 GBED CN(C)CC#CCNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 823674784 AGYJXEHFKALCAF-UHFFFAOYSA-N 381.234 -0.426 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cn(CC3(CC)COC3)nn2)CC1 826555193 QUMNGKUMTXKVJL-UHFFFAOYSA-N 388.472 -0.398 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CN(C)C(=O)c2cccs2)CC1 831556135 IUIUUCKDFABBBM-UHFFFAOYSA-N 384.483 -0.568 30 20 GBED N#Cc1ccc(OCC(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 916459460 ISCMSHYDXULRHA-GFCCVEGCSA-N 395.393 -0.507 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cc[nH]n2)C1 990843452 VNQIWENSTXWOGV-WCVJEAGWSA-N 385.428 -0.297 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(CCN(C)C)c2)C1 1023935550 VOGFZODGGWOYSL-VQHPVUNQSA-N 391.472 -0.663 30 20 GBED C[C@@H]1Oc2c(cccc2C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)NC1=O 1122496921 RYSZNLDBFTVPLM-CMPLNLGQSA-N 391.405 -0.015 30 20 GBED Cn1cc(C#N)c(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 1126633622 UHVPJGDMJYJJQC-UHFFFAOYSA-N 388.409 -0.335 30 20 GBED CC#CCN[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@@H]1n1ccnn1 1129910093 CLOBMYWKZARKFY-RQJABVFESA-N 387.362 -0.011 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H]2C1 1189144254 UNJLIPGDDQHDHU-CBBWQLFWSA-N 391.472 -0.568 30 20 GBED CC1(C)[C@H](NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@@H]2CCCO[C@H]21 1326932486 OZLFBLOLZAGYJA-CRNNXPQTSA-N 390.440 -0.051 30 20 GBED Cc1noc(CN(C)C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n1 1329142832 NKMRYUGXMCPPKI-NSHDSACASA-N 384.400 -0.265 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1336168707 OXAUXKFSSQCWLF-GFCCVEGCSA-N 394.428 -0.351 30 20 GBED N#Cc1cn(CCNC(=O)c2cc(F)c(-c3nn[nH]n3)c(F)c2)c(=O)nc1O 1571286098 XPOBFCAIZGEPAX-UHFFFAOYSA-N 388.294 -0.291 30 20 GBED C=CCn1cc(C(=O)NC[C@H]2CCCN2C(=O)CCOCc2cnn[nH]2)nn1 1575111258 APRJNMWERIHUSZ-CQSZACIVSA-N 388.432 -0.090 30 20 GBED C=CCn1cc(C(=O)NC[C@@H]2CCCN2[C@@H](C)C(=O)NCc2cnn[nH]2)nn1 1575111641 IMWIYCOFAVHHRK-JSGCOSHPSA-N 387.448 -0.519 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[nH]n4)n3)C[C@H]2O)cn1 1588370053 KPOVIJLCJFZKPE-HUUCEWRRSA-N 391.395 -0.679 30 20 GBED C#Cc1cncc(C(=O)NC[C@H](CO)N=c2cc(C)[nH]cc2-c2nn[nH]n2)c1 1588380293 ACBJARYNIBRDRW-CQSZACIVSA-N 378.396 -0.429 30 20 GBED C#Cc1cncc(C(=O)NC[C@H](CO)Nc2ncc(-c3nn[nH]n3)cc2F)c1 1588380336 BTTYJKSZPAJILZ-CYBMUJFWSA-N 382.359 -0.020 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC1CCN(c2nccnc2-c2nn[nH]n2)CC1 1602721862 ZHVPFDGXYWCWMD-AWEZNQCLSA-N 381.444 -0.161 30 20 GBED C=CCOCC(=O)N1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1602867862 AYLCEFPEJWHRHP-QGZVFWFLSA-N 389.416 -0.519 30 20 GBED Cc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C(=O)O)c1 1776052230 RVTSMGWSOJNJKD-UHFFFAOYSA-N 380.382 -0.597 30 20 GBED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1778951500 VFUKOYPATRJXCS-LIRRHRJNSA-N 376.457 -0.063 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)c4cc(O)nc(O)n4)CCO3)C2)c1 1780334082 GNKPYLTXABOGAL-GOSISDBHSA-N 398.379 -0.155 30 20 GBED C[C@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1781247025 KEAKQOBVVRRAJZ-LPMWRXPISA-N 376.413 -0.337 30 20 GBED CCOC(=O)C1(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783564629 BAKANEMKHYPSRO-QGZVFWFLSA-N 378.381 -0.752 30 20 GBED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785537983 HCWQBAVALFPUIA-OAHLLOKOSA-N 382.467 -0.410 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC=O)[C@H]2C1 1789878283 ZLRJMEYLUGBMTM-OLMNGRFOSA-N 381.473 -0.326 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2 1793340109 KWFXAZQFZFINIW-AYDFFVQHSA-N 379.413 -0.934 30 20 GBED CS(=O)(=O)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1817059784 VRKOBCCHSUIFPB-LLVKDONJSA-N 382.398 -0.466 30 20 GBED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1831191937 VHXGDOXZNUSJKE-PBFPGSCMSA-N 387.502 -0.324 30 20 GBED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840157216 IAHZXNXGZDHGSY-QEORTHHSSA-N 387.502 -0.324 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C)C(=O)C2)cc1 267471550 SHOLZYBFLNBUJD-UHFFFAOYSA-N 394.453 -0.268 30 20 GBED Cn1c(NCCOc2ccc(NS(C)(=O)=O)cc2)c(C#N)c(=O)n(C)c1=O 271368480 MDYAMHQSCLMJDC-UHFFFAOYSA-N 393.425 -0.182 30 20 GBED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 277110501 MJPSSUBZNDSGPF-UHFFFAOYSA-N 399.477 -0.603 30 20 GBED C=CCn1c(S(=O)(=O)CC(=O)NCc2ccccc2COC)n[nH]c1=O 284180855 XPKJFHNEEQVEGS-UHFFFAOYSA-N 380.426 -0.006 30 20 GBED C=C[C@@H](CO)NC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 290129299 SYTBHZITWLGSKP-BBRMVZONSA-N 389.408 -0.698 30 20 GBED C#CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 297934439 SOXWBSHAAFGGFO-UHFFFAOYSA-N 379.438 -0.380 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC(C)C)cc1 299431239 NIYRDHHSMYEMDZ-UHFFFAOYSA-N 396.469 -0.015 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N[C@@H](CC(C)C)C(=O)OC)c1=O 299490954 CRBKZFDPBNSFAO-ZDUSSCGKSA-N 394.428 -0.752 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(S(=O)(=O)CC1(C#N)CCCC1)C2 329821872 YVWIQWJFKCHAKC-UHFFFAOYSA-N 396.473 -0.638 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)NCC2(O)CCC2)nc1 349560460 BFROHOSOUMJNMY-UHFFFAOYSA-N 388.471 -0.081 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H]4COC(=O)N[C@H]4C3)CC2)o1 374169033 COHJSXSFMGTVGJ-HIFRSBDPSA-N 388.428 -0.066 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)s1 408405736 RUXHRFGYXZDDDI-UHFFFAOYSA-N 384.483 -0.215 30 20 GBED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CC(=O)OC)C1 508883967 DNGSDHAEIQUOOA-NEPJUHHUSA-N 387.462 -0.157 30 20 GBED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NCC)CC1 508938301 IQFGXXNALWAVQR-LBPRGKRZSA-N 385.494 -0.074 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)COC)cc1 523119160 QYEDDBPAHDBGCD-QGZVFWFLSA-N 399.469 -0.055 30 20 GBED C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCC(=O)NCC#N)n(C)c2)C1 553758243 BDXVKMSBQNEYRI-GFCCVEGCSA-N 381.458 -0.185 30 20 GBED CN(C)S(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)c1cccnc1C#N 577415798 JKXNZLLGMVVQPP-LBPRGKRZSA-N 387.487 -0.108 30 20 GBED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Cn2nnnc2CN)CC1 580832251 UOBQUNZLUZVCPV-UHFFFAOYSA-N 383.372 -0.400 30 20 GBED C=CCCn1cc(C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)nn1 581007277 KVHITRWYRRRCAE-HNNXBMFYSA-N 376.461 -0.141 30 20 GBED N#CC1(NS(=O)(=O)c2cccc(S(=O)(=O)N[C@@H]3COC[C@H]3O)c2)CC1 594629994 WAQJUPDBFJGIEA-CHWSQXEVSA-N 387.439 -0.941 30 20 GBED Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c1=O 608912002 ZAQKCYUQBMPFDL-UHFFFAOYSA-N 384.461 -0.269 30 20 GBED C=CCn1c(-c2cn(C)nn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 669038792 XHWOYOWYVRJUIF-UHFFFAOYSA-N 387.448 -0.567 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCCN1CCNCC1 746285831 ZDXBOJVZGMAUMP-UHFFFAOYSA-N 379.486 -0.473 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccnn2C)c1=O 758060416 AHWGTHHBHBICGI-UHFFFAOYSA-N 381.461 -0.162 30 20 GBED CS(=O)(=O)CCS(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 792785277 PPFAEYKDZQSBNK-AWEZNQCLSA-N 385.467 -0.377 30 20 GBED C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)c1 816891308 PDLQCKCLCVDGAX-CQSZACIVSA-N 378.454 -0.020 30 20 GBED C=CCNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 819750598 GVGKSZXZDYUUHP-JTQLQIEISA-N 394.413 -0.621 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@](C)(O)CCc2ccccc2)CC1 831574639 KOSSLUDTSSGAMG-SFHVURJKSA-N 379.482 -0.018 30 20 GBED C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cnsn2)CC1 848962595 GNTWRQIPEHKHFJ-UHFFFAOYSA-N 393.516 -0.750 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCOCCN(CC)CC)CC1 894163945 LTXVJIZZMZKAOV-UHFFFAOYSA-N 389.522 -0.860 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 958973855 POSMSJHYWQGWLV-ZMSHIADSSA-N 375.469 -0.318 30 20 GBED C#CCOc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3OCCO[C@H]3C)C2)cc1 968358632 FCKSGADSSDBTRH-NBMRYCAZSA-N 388.420 -0.196 30 20 GBED C#CCN1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@H]2COCCO2)CC1 995806667 WTWUVLHSZZHALU-VSZNYVQBSA-N 375.469 -0.005 30 20 GBED Cn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2cc(C#N)c[nH]2)c(O)nc1=O 1001887979 FDIQKSBDBXAUCM-QKCSRTOESA-N 382.380 -0.139 30 20 GBED Cn1cnc2c1c(=O)n(CC(=O)NCc1cccc(OCC#N)c1)c(=O)n2C 1116058259 DVVPOUOXGMNMLZ-UHFFFAOYSA-N 382.380 -0.348 30 20 GBED C=C(Br)CNC(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 1116236665 GAGSOFYGXZBHDH-UHFFFAOYSA-N 379.236 -0.109 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)nn1 1118178672 SZOMQCAIRGWAKZ-JKSUJKDBSA-N 387.444 -0.072 30 20 GBED C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N3CC[C@](O)(CC#N)C3)cn2)CCO1 1118210571 JLXRORANSFWBBB-AUUYWEPGSA-N 387.440 -0.200 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1nnc2n1CCOC2 1324062400 OXZJMKLFKPFTHH-UHFFFAOYSA-N 398.423 -0.029 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(C(=O)c3ccncc3)CC2)C1=O 1327170582 IHJOCHKKTLBNMW-UHFFFAOYSA-N 399.407 -0.221 30 20 GBED N#CC1CCN(C(=O)C(=O)N2CCC(N3C[C@@H](C(=O)O)CC3=O)CC2)CC1 1327390723 HYPXRKFUNQUYOE-ZDUSSCGKSA-N 376.413 -0.327 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 1328726902 BYDBKJREXNJLKA-UHFFFAOYSA-N 398.419 -0.142 30 20 GBED N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)[nH]1 1335394008 BPNNUKHSBJJVRQ-LBPRGKRZSA-N 386.455 -0.839 30 20 GBED C=CCn1c(CN2CCC(CO)CC2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1342149608 IFUITOXMGVTEAA-OAHLLOKOSA-N 375.477 -0.118 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CCO1 1345534552 SKBDYTCTKILEHZ-INIZCTEOSA-N 385.424 -0.798 30 20 GBED C[C@@H](C#N)C(=O)NCc1cn(C2CN(C(=O)CCOCc3cnn[nH]3)C2)nn1 1575179308 UDHYGADUQDAIHS-NSHDSACASA-N 387.404 -0.838 30 20 GBED C[C@H](NC(=O)CCOCc1cnn[nH]1)[C@H]1CCCN(CC(=O)NCC#N)C1 1575638770 CLGIRFFEZJETTM-KBPBESRZSA-N 377.449 -0.432 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2C(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H]2C1 1588355017 CDGHMRMUUTVRLW-LERXQTSPSA-N 383.412 -0.333 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@]1(C)CN(c2nccnc2-c2nn[nH]n2)CCO1 1588357307 KSVNENGJKOQAOT-YVEFUNNKSA-N 386.416 -0.594 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@@]1(O)CCN(c2nc(C)cc(-c3nn[nH]n3)n2)C1 1588504112 IZBHBYGVUFCNQU-IRXDYDNUSA-N 388.432 -0.650 30 20 GBED C=CCN(C(=O)C(=O)NCCNc1ncccc1-c1nn[nH]n1)[C@H](C)COC 1588625071 CSRRXIFFNHWKEH-GFCCVEGCSA-N 388.432 -0.161 30 20 GBED Cn1c(=O)[nH]c(N2CCN(c3ccc(F)cc3-c3nn[nH]n3)CC2)c(C#N)c1=O 1592544195 OMBRZMOLRAZVTF-UHFFFAOYSA-N 397.374 -0.409 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(-c2nn[nH]n2)cn1 1592871630 QVNGVNOHOLMIHF-UHFFFAOYSA-N 398.408 -0.383 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@]1(CC(=O)O)CCOC1 1604356285 JERZRZFGZDZYLA-ZBEGNZNMSA-N 381.410 -0.025 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779384574 XVPROENGVGSWFM-SJKOYZFVSA-N 391.384 -0.200 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cncnc3)C[C@@H]21 1791076126 QILLMVLZUOXRCG-JYJNAYRXSA-N 386.408 -0.523 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1 1792285128 OLPGCAHPJOEKNU-RFGFWPKPSA-N 383.449 -0.565 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCNC)C2 1792485122 CVMBWURHZCCSRK-GZHYHUHOSA-N 378.473 -0.566 30 20 GBED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](COC)NC(C)=O)C2 1793569141 UDJFRZKFJABPIF-RKOFLFEYSA-N 379.457 -0.186 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2 1795597856 HYGXJASPVQOSSZ-FQLMCAECSA-N 391.472 -0.864 30 20 GBED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1801166957 LEIPQXGMNYASJT-NBMJBFSESA-N 393.484 -0.580 30 20 GBED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(N)=O)c1 1802165461 PYQDGUOHKOBAOC-DRXBFXEBSA-N 389.387 -0.431 30 20 GBED N#CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819881042 RAMTXHDXBPSNEJ-MEBBXXQBSA-N 379.442 -0.381 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccn3C)C2)C1 1831390999 CXTUONOGTZWSLT-HNAYVOBHSA-N 390.440 -0.472 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1831424521 KYXIJSVGZPAVNP-CRAIPNDOSA-N 393.444 -0.674 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838509390 LYFGLHDDFBGAJX-KRWDZBQOSA-N 387.421 -0.211 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1839842720 FFBAXELMWLXYRW-ACJLOTCBSA-N 378.429 -0.469 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1840104066 FHDBCDNRGMHXPY-GOSISDBHSA-N 378.429 -0.631 30 20 GBED CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840195375 YAYCMOZTCXDUEW-QFBILLFUSA-N 396.509 -0.030 30 20 GBED Cc1cc2nnc(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)c(C)n2n1 1843698751 YHABYQAMPMFDRR-UHFFFAOYSA-N 382.380 -0.354 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1 47937445 SDQUNSJMNWPEHI-AWEZNQCLSA-N 376.438 -0.083 30 20 GBED COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(CC(=O)NCC#N)CC1 66494224 OZFHZANJJOUGKC-UHFFFAOYSA-N 398.441 -0.371 30 20 GBED Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1C#N 266517596 HDBBPLIKNMOTOD-UHFFFAOYSA-N 383.408 -0.245 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CCCN2C(=O)NC(C)(C)C2=O)c1=O 270240767 KKJKFDLBONVDMP-UHFFFAOYSA-N 377.401 -0.736 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCNC(=O)c1ccn[nH]1 272503688 HUWXHJKPSLEPSL-LBPRGKRZSA-N 383.416 -0.279 30 20 GBED COc1cncnc1NS(=O)(=O)CCCS(=O)(=O)N1CC(C#N)C1 348344156 KHEFBINVJFUVAD-UHFFFAOYSA-N 375.432 -0.598 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(C(N)=O)CCOCC1 371220109 PHPWJWWRGCIYTD-LLVKDONJSA-N 380.426 -0.624 30 20 GBED CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)NCC(=O)NCC#N)CC2)C1 377067762 OYZRWWDCVULNBM-AWEZNQCLSA-N 394.476 -0.037 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCc2cccc(C(=O)N3CCOCC3)c2)CCO1 409500786 KGZQVUJDYKNCRG-INIZCTEOSA-N 394.453 -0.282 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 425238996 RUAYNVNMFKHIPQ-GFCCVEGCSA-N 390.491 -0.558 30 20 GBED COC(=O)Cn1cc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)nn1 441535975 RUSMTCRMUCEKSY-GFCCVEGCSA-N 399.415 -0.467 30 20 GBED N#CCN1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2cnc[nH]2)CC1 568415192 KPAROGLUUNWARU-UHFFFAOYSA-N 390.491 -0.597 30 20 GBED C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCS(=O)(=O)C1 577789065 DLURGGQRJGNRTF-GFCCVEGCSA-N 385.467 -0.270 30 20 GBED C[C@H](O)CN(C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@H](C)CO 587648164 SCGOIDOCTAZPIE-KGLIPLIRSA-N 389.456 -0.372 30 20 GBED N#CC1(NS(=O)(=O)c2ccccc2S(=O)(=O)N[C@H]2CCNC2=O)CC1 595958892 TVBZVNKELHCLJO-JTQLQIEISA-N 384.439 -0.812 30 20 GBED COc1cc(NC(=O)C(=O)N(CCO)CCN2CCOCC2)c(F)cc1C#N 599974362 HSZYVROFZPNIEF-UHFFFAOYSA-N 394.403 -0.202 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 728531970 VOTGCCPTTUGMSQ-INIZCTEOSA-N 383.452 -0.676 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)Nc2cccc(S(C)(=O)=O)c2)CC1 728573148 RQUYTJOCLAOEEN-UHFFFAOYSA-N 392.481 -0.604 30 20 GBED N#Cc1ccsc1N1CC[C@H](OC(=O)CN2CCS(=O)(=O)CC2)C1=O 751645752 IWVQZNDOPPDGCT-LBPRGKRZSA-N 383.451 -0.001 30 20 GBED COCCS(=O)(=O)CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 757598566 LGRHNYGRHNYIOT-VXGBXAGGSA-N 375.447 -0.077 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(C2CCOCC2)CC1 787776374 UQHWYJDPZWFMDI-UHFFFAOYSA-N 386.456 -0.195 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CN(C)C(=O)c3ccccc32)CC1 831575013 VEMJIGAXQVGKBW-MRXNPFEDSA-N 390.465 -0.532 30 20 GBED C=CCN1CCN(CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)C1=O 839964709 RPVBTYYHOMOXBF-UHFFFAOYSA-N 397.457 -0.434 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@@H]1O 964614129 YQYFBCHEUPARLU-RZFFKMDDSA-N 391.424 -0.410 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2ccccc2C(N)=O)C1 969489333 OOPQWPWQASPDPB-NCOADZHNSA-N 387.436 -0.393 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](OCC)[C@H](CNC(=O)c2cn(C)nn2)C1 983336011 PVRNVVCTFSDJAZ-LUYZLQTOSA-N 377.445 -0.001 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3n(n2)CCCO3)C1 1024893706 AMDXPZTWACYFGD-CRNXPOROSA-N 390.440 -0.052 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)nn1 1024907022 HCJOZJKPPXEUMM-KLZNWCGWSA-N 389.456 -0.172 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 1074732254 OJLUUCOJOZCBIX-WCVJEAGWSA-N 393.484 -0.229 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1110833628 DVILIKHWJZXKNN-SUJAAXHWSA-N 376.457 -0.730 30 20 GBED CCCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 1116336348 LAGPTLUHFYTDOM-UHFFFAOYSA-N 382.446 -0.334 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)NC[C@H]2CCS(=O)(=O)C2)CC1 1118588492 VDMHTHKZYGZHFJ-GFCCVEGCSA-N 396.494 -0.181 30 20 GBED C=CCNC(=O)CN1CCCO[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1150006242 SVSOOOLVFQBJGD-UIBIWLFHSA-N 381.473 -0.453 30 20 GBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1218333458 RSLBGEPJYZJRRD-LTIDMASMSA-N 379.457 -0.639 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1 1323027334 PTMMRMZKCVUXQS-UHFFFAOYSA-N 379.438 -0.439 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)C1 1326049896 XYFBGHTWNBMSJQ-DJJJIMSYSA-N 384.392 -0.293 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(c2nnnn2CC#Cc2ccccc2)CC1 1335627440 WEYHVFSKLFJGIG-UHFFFAOYSA-N 381.440 -0.102 30 20 GBED C=C(C)COCCNC(=O)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 1336151907 XAKCJOFYBBARDQ-UHFFFAOYSA-N 390.506 -0.574 30 20 GBED C#CC1CCN(C(=O)C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)CC1 1350530028 ZLGZKXNZIBUZHC-GOSISDBHSA-N 376.501 -0.229 30 20 GBED C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCNS(C)(=O)=O 1541104728 ZQSQUBKFBJBCPA-LBPRGKRZSA-N 383.478 -0.341 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc(Cn2nc(C)cc2C)n1CC(=O)N(C)C 1574967182 OBITTXLXCLUGON-UHFFFAOYSA-N 396.459 -0.014 30 20 GBED N#Cc1c[nH]ccc1=NC[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1581883027 HOBILJHRBQLCPN-GFCCVEGCSA-N 379.384 -0.164 30 20 GBED C#CCN1CCC(C(=O)NCCN(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1588351667 DQMCBWSEDRHRCU-UHFFFAOYSA-N 384.444 -0.272 30 20 GBED CC#CC[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588738482 PJOOTQKEFBFGOT-LBPRGKRZSA-N 378.414 -0.965 30 20 GBED N#CCNC(=O)CN1CC[C@]2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCC[C@H]12 1592678486 YNEICNVLLNHAOW-SUMWQHHRSA-N 383.416 -0.439 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCCC(=O)O)cc1 1598376380 RZQJRCIBSHZWFX-UHFFFAOYSA-N 375.428 -0.026 30 20 GBED C[C@]1(CNC(=O)CSCC#N)CN(c2cnc(-c3nn[nH]n3)cn2)CCO1 1603802440 LUXPHQXYQDGFAW-HNNXBMFYSA-N 389.445 -0.375 30 20 GBED N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCn3cnc(-c4nn[nH]n4)n3)C2)nc1 1606379320 OSIIZZDPPJRWBB-GFCCVEGCSA-N 395.387 -0.412 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)O)cc1 1610622385 ZKDYEEORJIETKS-ZIAGYGMSSA-N 381.410 -0.071 30 20 GBED CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cn1cc(C#N)c(O)nc1=O 1643330298 JGVQUGZUJBHLGZ-OAHLLOKOSA-N 381.392 -0.090 30 20 GBED N#Cc1ccccc1NC(=O)CCN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1653728147 PGNUGLYXTADPJY-IAGOWNOFSA-N 392.481 -0.026 30 20 GBED O=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)CN1 1779020860 CYDHMGDBKLOBHR-QZLSCGPGSA-N 391.472 -0.576 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cn3ccccc3n1)CCO2 1783562026 YVKZCVQJIDHQBA-IBGZPJMESA-N 382.376 -0.134 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)CC)C[C@@H]21 1784477492 DZQOUHCZOQFGPZ-QEOTZNIISA-N 393.484 -0.081 30 20 GBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1785424689 HTVXLQKDMLTBDO-FXAWDEMLSA-N 376.501 -0.134 30 20 GBED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1 1788654274 BNSGZFQMVTXNQR-ZPFYTHJMSA-N 395.500 -0.171 30 20 GBED CCc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)co1 1788994495 XUAIZCCWQBSVAB-OBJOEFQTSA-N 375.381 -0.082 30 20 GBED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]3C2)C1 1790907778 PFPQQVPLGLROKU-SZMVWBNQSA-N 395.500 -0.781 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1c[nH]c(=O)cn1)C2 1792566700 WJSBHBZKSHVLEQ-GJLBMKCESA-N 385.424 -0.120 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCCS2(=O)=O)CCC1 1800395837 UEVSZEMUCSRJBE-LXTVHRRPSA-N 395.481 -0.153 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@@H]1c1cccnc1 1812877332 GFRWTFYBGBHFKW-FZKQIMNGSA-N 395.375 -0.428 30 20 GBED C#CC(=O)N[C@H]1CCc2nc(NC(=O)CN3CCN(C(C)=O)CC3)sc2C1 1818898292 FJKXAYSJYQQXEK-ZDUSSCGKSA-N 389.481 -0.148 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COC(C)C)CCO2)C1 1830010866 XRQKXGLRLROYKJ-LPHOPBHVSA-N 382.457 -0.094 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830048969 RNIWJJXLPDMGHC-LRDDRELGSA-N 388.490 -0.968 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnsn3)CCO2)C1 1833522868 GIWOOVZDUYXKBB-SUMWQHHRSA-N 394.453 -0.354 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncnn1C)CCO2 1833839952 AJTPLYBOCJNDNE-QGZVFWFLSA-N 395.485 -0.196 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3)CCO2)C1 1834025088 VSAJKJZJOCABHK-BEFAXECRSA-N 388.424 -0.415 30 20 GBED COc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834760172 IIBNZNVLQUQCLZ-QGZVFWFLSA-N 377.401 -0.588 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCOC)CCO2)C1 1835239442 FEJDKSUPBKGDNF-LPHOPBHVSA-N 398.456 -0.856 30 20 GBED N=C(N)SCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1835643440 CUPMFFHQVNGVOB-GOSISDBHSA-N 394.497 -0.127 30 20 GBED COC(=O)[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 7958023 JCCUNHDQKAAWKM-OAHLLOKOSA-N 395.437 -0.391 30 20 GBED CN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 23693806 FISQHPZFEXQOHM-UHFFFAOYSA-N 391.497 -0.361 30 20 GBED CC(C)N1C(=O)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1=O 268921169 QGCIFWYXODVDPO-RISCZKNCSA-N 392.437 -0.123 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 287531217 BCFPYKUFPMOEFO-ZZYXIFPLSA-N 391.428 -0.169 30 20 GBED COCc1nc2n(n1)C[C@H](N/C(O)=N/[C@@H]1CCCN(S(C)(=O)=O)C1)CC2 329792478 AESWVDPGCKSHOO-VXGBXAGGSA-N 386.478 -0.333 30 20 GBED CNS(=O)(=O)CC/N=C(/O)N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 331296470 NFZDOOIJAZIFNB-HUUCEWRRSA-N 375.539 -0.060 30 20 GBED N#CCC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)N=c2cc[nH]cc2)C1 349602818 AMTWSIJKJLGVEE-UHFFFAOYSA-N 388.471 -0.684 30 20 GBED Cn1c(N)c(C(=O)CN2CCO[C@H](c3cccc(C#N)c3)C2)c(=O)n(C)c1=O 371291632 KOEMKJNXZLWUGA-HNNXBMFYSA-N 383.408 -0.206 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)CCO1 409490119 DUUDRCLDQFLMDG-GJZGRUSLSA-N 379.442 -0.369 30 20 GBED O=C(NCC#Cc1ccccc1)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 469261350 RPSWVWCCXOOAEU-UHFFFAOYSA-N 395.419 -0.152 30 20 GBED C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(C#N)cn2)CC1 502664459 GNLNESNYGHXCGQ-DZGCQCFKSA-N 377.470 -0.233 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@](C)(C#N)COC)c1 532903596 IIYOKYXIKGDQRZ-MRXNPFEDSA-N 384.458 -0.076 30 20 GBED COc1cc2c(cc1S(=O)(=O)NCCn1cnc(C#N)n1)C(=O)NCCC2 594779180 YUNHDEAWNXLKJN-UHFFFAOYSA-N 390.425 -0.187 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)CC1 609458172 OVPQIAFDLDYFMD-LBPRGKRZSA-N 387.444 -0.013 30 20 GBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1 728570776 MVDIPTJUMNSSOL-LLVKDONJSA-N 377.367 -0.870 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)CC1 742065538 JLSAFTITRGUTSP-SFHVURJKSA-N 397.479 -0.173 30 20 GBED Cn1cc(C=NNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 746492417 SHDOHJOVONPTBW-UHFFFAOYSA-N 381.370 -0.554 30 20 GBED CS(=O)(=O)N1CCN(CCNC(=O)NCCNc2ncccc2C#N)CC1 749354749 WMRBHIUKKUGGIW-UHFFFAOYSA-N 395.489 -0.758 30 20 GBED C#CCOCCC(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 756305251 SCSJZLQDPUAXIX-CABCVRRESA-N 387.454 -0.236 30 20 GBED C#C[C@H](NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCCO1 776127897 GNBWAVJDSKGZCX-JKSUJKDBSA-N 386.456 -0.005 30 20 GBED CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2nnn(C)n2)C1=O 783007714 KVJQQYZCDJGZIN-NWLJZCLZSA-N 388.457 -0.216 30 20 GBED N#CC1(NC(=O)COC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCC1 785662513 YBOJWOQYBILRPA-CQSZACIVSA-N 378.429 -0.727 30 20 GBED Cc1nc(C#N)c(N2CCC(C(=O)NS(=O)(=O)N3CCOCC3)CC2)o1 793165281 ZQXSVZVGSWNEQQ-UHFFFAOYSA-N 383.430 -0.236 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@]3(CCO[C@H]3C)C2)c1=O 794666041 MIOAZZDUKPSWBY-KSSFIOAISA-N 378.429 -0.619 30 20 GBED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 815861052 OPMQBOHHAUTANM-UHFFFAOYSA-N 396.469 -0.122 30 20 GBED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCn1cnnn1 819459832 XIVJIGHHTUGYEB-CYBMUJFWSA-N 391.457 -0.057 30 20 GBED COC(=O)CN(CC(=O)O)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 831164990 XJPUKDHHOYHXRF-JTQLQIEISA-N 383.382 -0.689 30 20 GBED C#CC[C@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 837937836 BWKGAXRGYPTZAJ-ZDUSSCGKSA-N 383.382 -0.056 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1 872515438 NCHOIINCKMLZKZ-UHFFFAOYSA-N 379.410 -0.261 30 20 GBED Cn1cc(/C=C2\CC/C(=C\c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O 884003185 DDHDFJHJPASMKR-MKICQXMISA-N 384.392 -0.689 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2OC)nc1 944091012 MDIAMRYZMQNQNG-QKPAOTATSA-N 386.408 -0.949 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)[C@@H]1C 990145474 AYFWEUUDCUNDBE-MQYQWHSLSA-N 378.429 -0.375 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nn(CC)nc2C)C[C@H]1O 1023961852 KXUDVMZQRLJURW-TUVASFSCSA-N 377.445 -0.111 30 20 GBED C#CCN1CCC(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1043427302 PGPZDFUGSPELGE-WKULXVSPSA-N 387.480 -0.556 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCN2CCCC2=O)C[C@@H]1n1ccnn1 1070031394 VYJUYHKCCKLYGK-NCOADZHNSA-N 388.472 -0.167 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCCNC1=O 1109427184 RWRSFLLXQAGTBS-MQYQWHSLSA-N 377.445 -0.754 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1[nH]nnc1C 1110884378 BRJHCUMTOLUFIZ-LOWDOPEQSA-N 375.433 -0.151 30 20 GBED N#CCC1(O)CN(C(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)C1 1154589996 XKRUGAYSUYKXLM-UHFFFAOYSA-N 379.438 -0.067 30 20 GBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 1193850224 VXTKAQMOQMWLDK-MTNOOBJLSA-N 386.452 -0.045 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCS(=O)(=O)CC1 1319195046 GQAJLLSAZBGYNH-NSHDSACASA-N 385.467 -0.082 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)CC2)cc1 1326839573 KSBGYHCXDMTLMM-QGZVFWFLSA-N 396.451 -0.562 30 20 GBED C=CCn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@]1(O)CCOC1 1339912520 ZVKOMCQHRYOAJW-SFHVURJKSA-N 378.477 -0.281 30 20 GBED C#CCN(CC#CC)c1nnc(-c2cn(C)c(=O)n(C)c2=O)n1C[C@H]1CCOC1 1345239196 KVDHFEQVUFDPHT-OAHLLOKOSA-N 396.451 -0.158 30 20 GBED COCCOc1cncc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 1515145439 KPIIQQYFDIPFPK-CQSZACIVSA-N 381.410 -0.314 30 20 GBED N#Cc1cn(C2CN(C(=O)c3ccc(F)c(-c4nn[nH]n4)c3)C2)c(=O)nc1O 1571194193 IMYUZMBGRRBMQT-UHFFFAOYSA-N 382.315 -0.163 30 20 GBED COC[C@H](OC)C(=O)N(Cc1cnn[nH]1)C1CCN(C(=O)[C@H](C)C#N)CC1 1576964834 FMWJIHWQGDRELM-DOMZBBRYSA-N 378.433 -0.055 30 20 GBED CN(C[C@@H](O)CN(C)c1cncc(-c2nn[nH]n2)n1)C(=O)c1ccc(C#N)[nH]1 1579029573 GETBLZBIBDXHTD-NSHDSACASA-N 382.388 -0.574 30 20 GBED Cc1ccc(-c2nn[nH]n2)c(N2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)n1 1581084676 WLTQTAQCGWMANS-KGLIPLIRSA-N 379.384 -0.251 30 20 GBED N#CCSCC(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F 1581858815 WYHBCZMDYAAQRZ-LBPRGKRZSA-N 379.421 -0.171 30 20 GBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c(F)c1 1581878098 VJEBDRZCVPQIKJ-OLZOCXBDSA-N 383.347 -0.420 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CC(Oc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CCCO1 1588328005 WVCPBVYZCCMQDA-JKSUJKDBSA-N 396.407 -0.247 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1588351358 QCAVEYJXZKKETD-AWEZNQCLSA-N 382.428 -0.329 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCO[C@H](CN=c2cc[nH]cc2-c2nn[nH]n2)C1 1588355734 LWFLVFTZARCQRR-UONOGXRCSA-N 385.428 -0.249 30 20 GBED C=CCCO[C@H](C)C(=O)N1CCO[C@@H](CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1588609075 UCNWHVQQIPNYAX-OLZOCXBDSA-N 388.432 -0.301 30 20 GBED C=CCNC(=O)[C@@H](C)N1C[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C1 1588657232 IGXHOTPHFLYZRK-UPJWGTAASA-N 384.444 -0.111 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@]2(C(=O)O)C[C@@H](OCC)C2(C)C)C1=O 1588832110 BIWSCUNTGHWWGZ-QGHHPUGFSA-N 381.385 -0.262 30 20 GBED C[C@H](C#N)OCCOC(=O)CNS(=O)(=O)c1ccccc1-c1nn[nH]n1 1588934489 NPAUGQWFYFMFCB-SNVBAGLBSA-N 380.386 -0.383 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](C(=O)O)[C@@H]2CCOC2)cc1 1601111487 GBKPMACBQMJOMV-TZMCWYRMSA-N 381.410 -0.310 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C1 1602721575 OJBKKJDGKOZYHE-ZFWWWQNUSA-N 381.444 -0.209 30 20 GBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 1602722300 LESVWKNPVIFEEM-SLEUVZQESA-N 382.428 -0.521 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)CC1 1602862747 HFKCPSKHDCJJCQ-UHFFFAOYSA-N 384.444 -0.275 30 20 GBED C[C@@H](Nc1nccnc1-c1nn[nH]n1)[C@H]1CN(C(=O)CSCC#N)CCO1 1603687668 NRMBKGLADIGVSG-GHMZBOCLSA-N 389.445 -0.059 30 20 GBED NC(=O)c1nccnc1C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1779873479 QKIKUOOBISOYFS-IBGZPJMESA-N 383.408 -0.568 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1781390279 IROVSMRYCMOHCE-GLJUWKHASA-N 397.476 -0.790 30 20 GBED COc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)n1 1791074400 ZHCBGIFPKXKJDG-YDHLFZDLSA-N 387.392 -0.229 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(F)(F)C(=O)O)C2 1793342258 BYFKZECXSRKCLD-NRWUCQMLSA-N 388.367 -0.276 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCNC2=O 1795347661 MLQWXSHWGHIRFK-APIJFGDWSA-N 399.451 -0.083 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)CCn2ccnn2)[C@@H]1c1cccnc1 1813436869 TTWGAFBDFCTPOC-KXBFYZLASA-N 396.407 -0.143 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1831487074 JYHJNZYYVFYVAI-DOTOQJQBSA-N 397.501 -0.311 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1838801765 LQMARPQFVREVPA-QGZVFWFLSA-N 378.385 -0.459 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1839809142 GRUGENLXDLFWSS-FQEVSTJZSA-N 395.419 -0.030 30 20 GBED COCCOCCOCCC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196971 HESMFEYJFFPOQF-UHFFFAOYSA-N 382.413 -0.653 30 20 GBED C[C@H]1C(=O)NCCN1CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 263928934 TYRZCMLKVSAUCI-LBPRGKRZSA-N 393.469 -0.084 30 20 GBED N#C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCO1 264439300 ZDNSWCONDYCBFZ-LBPRGKRZSA-N 381.410 -0.123 30 20 GBED CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 275929817 NQOMEDADKVVEAJ-AWEZNQCLSA-N 383.408 -0.405 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)c1cc[nH]n1 276734788 UHSGLLXOVJUWPJ-VVLNONDKSA-N 386.430 -0.271 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCC1(CS(C)(=O)=O)CC1)c1cc[nH]n1 277871187 BSAGUVFXUWAHQN-CPNJWEJPSA-N 386.430 -0.366 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCO[C@@H](CNC(C)=O)C1)c1cc[nH]n1 278024626 QJIRIVYNKXMYEI-PQXWDWFGSA-N 381.389 -0.943 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCS(=O)(=O)N(C)C 290983686 POXHCIQVDQRIMH-GFCCVEGCSA-N 381.462 -0.540 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(Cc3cccnc3)CC2)C1=O 297934420 SKNBXDMDPINNHA-KRWDZBQOSA-N 385.468 -0.029 30 20 GBED C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 298108275 XDBKFDNCAZDYHW-MRXNPFEDSA-N 380.489 -0.198 30 20 GBED CC(C)(C#N)C(=O)NCCS(=O)(=O)N1CCN(C(=O)C(C)(C)C#N)CC1 299098857 PZWGLPQVEIDZRR-UHFFFAOYSA-N 383.474 -0.324 30 20 GBED CCc1nc2n(n1)C[C@@H](N/C(O)=N/CCC(=O)N1CCN(C(C)=O)CC1)CC2 329305167 OOVFUTWLDQKSIE-AWEZNQCLSA-N 391.476 -0.260 30 20 GBED O=C1CCCN1[C@H]1CCN(/C(O)=N/CCS(=O)(=O)N2CCSCC2)C1 330117781 XLWQJCLTBDICBI-ZDUSSCGKSA-N 390.531 -0.024 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(/C(O)=N/CCN2CCOC(C)(C)C2)CC1 330433358 KZIZTQPXJUGDJS-UHFFFAOYSA-N 383.493 -0.320 30 20 GBED C[C@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N)CCN1C 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385.490 -0.029 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCn2ccnc2C1 571297678 OKEQIDFYLRSPFQ-UHFFFAOYSA-N 375.476 -0.360 30 20 GBED COC(=O)c1cc(C#N)ccc1S(=O)(=O)NC1CC(NS(C)(=O)=O)C1 593591749 MQPKIQYMYOHHRR-UHFFFAOYSA-N 387.439 -0.297 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCCN1S(C)(=O)=O 610704933 FABMBCWLMLLXQM-OCCSQVGLSA-N 378.458 -0.191 30 20 GBED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1 670231685 YCPVBYWGVPUQDL-UONOGXRCSA-N 384.506 -0.015 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)NC2(C(=O)OC)CCCCC2)CC1 728570371 BGAIEFIAGMTIJR-UHFFFAOYSA-N 378.473 -0.655 30 20 GBED C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NCC#N 731234152 XSLNFTVJQKUSDH-TVQRCGJNSA-N 389.817 -0.449 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)OCC)CC2)c1=O 732409632 VGZVAODWAUBHOG-UHFFFAOYSA-N 379.417 -0.725 30 20 GBED Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN(CCC#N)CCC#N)CC2)o1 737467781 STWGJKTYFDPUPW-UHFFFAOYSA-N 398.431 -0.059 30 20 GBED N#CCc1ccccc1CC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 787998449 LMAJGMPNCRWPNC-IRXDYDNUSA-N 377.466 -0.403 30 20 GBED CCOC(=O)CN(C)C(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 795327320 MPFPLISVJHSAER-UHFFFAOYSA-N 397.409 -0.599 30 20 GBED CNS(=O)(=O)CCCOC(=O)CNS(=O)(=O)c1cccc(C#N)c1 795333826 NXHGJWADYNKYQP-UHFFFAOYSA-N 375.428 -0.681 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)[C@H]1CCCO1 809309577 NONRNGGOPQIZGZ-IXDOHACOSA-N 390.484 -0.562 30 20 GBED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)CCS(C)(=O)=O 809889356 ZQEJRNLZXCBCCR-LLVKDONJSA-N 379.508 -0.055 30 20 GBED C[C@H](C(=O)NCc1ccc(C(=O)NO)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 819552265 RSDKPNYLHBUPKB-NSAPBPOKSA-N 387.392 -0.027 30 20 GBED CC(C)(C)OC(=O)N1CCN(C(=O)c2cnn(C[C@H](O)CO)c2)[C@H](C#N)C1 829694584 RGUSDAKMLFRAIG-KGLIPLIRSA-N 379.417 -0.179 30 20 GBED Cn1cnc2c1c(=O)n(CC(=O)O[C@@H](C(=O)O)c1cccc(C#N)c1)c(=O)n2C 833058535 YDECBPMJFYXXRY-CQSZACIVSA-N 397.347 -0.326 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H]1COC[C@H]1n1ccnn1 847987408 LVOODZCCFDDLOI-KCPJHIHWSA-N 391.409 0.000 30 20 GBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1cncc(N2CCCC2)n1 848966815 CKKPRXGCEPNTGE-UHFFFAOYSA-N 387.487 -0.239 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCn3ncc(Br)c3C2)CCO1 851803728 WSPYGIOLRCAYPX-SECBINFHSA-N 376.236 -0.070 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(C3CC3)nc2O)C[C@@H]1O 970712136 VJCPFYLBIQJBLV-RZFFKMDDSA-N 388.424 -0.048 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@H](c2cnn(C)c2)C1 982442258 VVGHRWABONCLGX-CLWVCHIJSA-N 385.428 -0.146 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cn(C)cn1 993538589 XVNFIDILHZGKLJ-CLWVCHIJSA-N 389.456 -0.313 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1068819409 IVOOZICOVBIXJH-YQBONMRBSA-N 387.436 -0.965 30 20 GBED COc1ccc(CN2C[C@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)cc1C#N 1083784783 OBOVLOHZSAYZAZ-HZMVEIRTSA-N 386.452 -0.048 30 20 GBED CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)ncc1C#N 1092898797 UFFITFXSQWYPNY-RDBSUJKOSA-N 378.458 -0.459 30 20 GBED N#Cc1cncc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CCc2nnc(O)nc2O)n1 1092926639 IFKQJVQPEXKWIE-WXHSDQCUSA-N 382.384 -0.197 30 20 GBED C#CCNC(=O)CN1CC2(C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)c3nccn32)C1 1101633857 HQVILGYVXHDDTE-IDUQQSTBSA-N 395.463 -0.372 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1COCCN1CCCC 1110857443 BAYZUAPFAAOLQT-BDXSIMOUSA-N 376.501 -0.042 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 1220389518 NPMMFNYYPDMKRD-HZMVEIRTSA-N 388.472 -0.553 30 20 GBED CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC1CCN(CC#N)CC1 1257798254 RLXFZXRDOHWOBN-MRXNPFEDSA-N 392.504 -0.851 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)C[C@]1(O)CCc2ccccc21 1261472123 HEFOOCVDSBCCNW-GOSISDBHSA-N 380.466 -0.004 30 20 GBED CN1CCN(CC2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)CC1 1292942273 OBVFCJUUQPBRFJ-UHFFFAOYSA-N 388.472 -0.303 30 20 GBED C#CCNC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 1344705268 APLZCVBZVRVHKP-GFCCVEGCSA-N 381.458 -0.925 30 20 GBED C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CNC[C@@H]2C1 1574746899 RWWVGJRTXOWBSD-MCIONIFRSA-N 398.558 -0.090 30 20 GBED C=CCN(C)c1nnc([C@H]2COCCN2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1574925246 LDJOHDKSKOSRBE-ZIAGYGMSSA-N 384.506 -0.157 30 20 GBED C#CCOCCC(=O)N1CCC[C@H](CN(C)CC(=O)NCc2cnn[nH]2)C1 1575013585 RSIDSRWCTPHUKY-OAHLLOKOSA-N 376.461 -0.369 30 20 GBED CN(C[C@H](O)CN(C)c1ccnc(C#N)n1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1579027978 LASIKYQGGQMXJT-SNVBAGLBSA-N 382.388 -0.574 30 20 GBED CO[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1579863896 YFQYDIWEYKBCOF-CHWSQXEVSA-N 380.372 -0.510 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(N(CCO)[C@@H]2CCCN(C(=O)[C@@H](C)C#N)C2)n1 1580643615 VGCCULIUGGYAAC-WCQYABFASA-N 385.432 -0.086 30 20 GBED N#CCSCC(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1581858675 QEHGCOKJBWOWJS-OAHLLOKOSA-N 390.429 -0.855 30 20 GBED C#CCNC(=O)CN1CCN(c2cc(C)c([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 1588354199 HWHBCHFIORFPFS-UHFFFAOYSA-N 384.400 -0.045 30 20 GBED CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1604438747 NCGVSIHVMXTBQW-ZKYQVNSYSA-N 386.416 -0.052 30 20 GBED CC(=NNCCS(N)(=O)=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)O)cc1 1776047081 UMKVIYUSUIRNMV-JTQLQIEISA-N 392.459 -0.960 30 20 GBED COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1779315546 DHFASPIYDRQPCF-KSSFIOAISA-N 378.429 -0.729 30 20 GBED CS(=O)(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780332967 LYCMRDRAAUIFQI-MRXNPFEDSA-N 380.426 -0.626 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)cc1 1780699058 QIGAIDAWIYWSBM-ZWOKBUDYSA-N 384.436 -0.275 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1781268240 JVFXWPUHJMTQJG-GOSISDBHSA-N 391.428 -0.383 30 20 GBED Cc1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)n[nH]1 1782010022 AGYFZHYBQHZDBZ-DNVCBOLYSA-N 388.424 -0.137 30 20 GBED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CC(=O)NC1=O)C2 1782175291 RDCDXNNQMOIDAV-PSTGCABASA-N 398.485 -0.630 30 20 GBED CSCC[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782232061 WEACXJWXMAUQQR-PMUMKWKESA-N 398.481 -0.298 30 20 GBED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CNC(N)=O)C2)CCC1 1783290864 BNVDPCQUFIQGSF-FZKQIMNGSA-N 377.445 -0.138 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4ccncc34)[C@H]2C1 1788039185 ZWEHZZQFOGCMBY-NOLJZWGESA-N 397.391 -0.589 30 20 GBED CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)S)C[C@@H]21 1788565919 RYZDUDVLPLAVHM-DGTMBMJNSA-N 386.518 -0.008 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCSCC1 1792465011 HMRBQAQILRKYGY-XLMAVXFVSA-N 395.525 -0.337 30 20 GBED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOC1=O)C2 1792631374 QZJMPXSEFUAUDM-AGGWBTHJSA-N 378.429 -0.032 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1794012134 AMOZUOQBNXEQQQ-YIYPIFLZSA-N 393.444 -0.023 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2cccnc12 1797364915 HCYQPYKJPSMYDS-PNBKFKSVSA-N 397.435 -0.029 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(CO)on1)C2 1797711861 MLAPWJALCGVJIC-VZAMPYOESA-N 393.440 -0.057 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2 1797713502 QGCSTUSVVPGINM-WJNVRWDZSA-N 378.429 -0.975 30 20 GBED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H](O)CN2)cc1 1799141359 UYBFXTZNWDGADM-ADHGMGHFSA-N 384.436 -0.516 30 20 GBED CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808780287 XDEIEOKDIFDNQI-ZRGWGRIASA-N 398.419 -0.204 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830584105 DFJWUTCRGFKCNV-SAONEMICSA-N 396.484 -0.213 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNC(=O)c1ccc[nH]1)CCO2 1832881372 LMMKCOBNJLMICK-IBGZPJMESA-N 388.424 -0.776 30 20 GBED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834760929 MWQQCECERPGWOU-KBXCAEBGSA-N 388.428 -0.353 30 20 GBED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834761102 QFWUCNANGDKYIX-RDTXWAMCSA-N 380.445 -0.339 30 20 GBED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835359323 DBUINJLIYVVNDH-CRAIPNDOSA-N 390.444 -0.326 30 20 GBED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835564684 PGUYMQCTHHXGDQ-VCBZYWHSSA-N 396.488 -0.752 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccsc1)CCO2 1836101462 BGZJHDUBBLHIKQ-SFHVURJKSA-N 392.433 -0.165 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)CCO2 1838471841 YXSCCTTZKQVFCD-IBGZPJMESA-N 399.407 -0.966 30 20 GBED CSCC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840195373 YAYCMOZTCXDUEW-APWZRJJASA-N 396.509 -0.030 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)C1 1840227308 NPTURCHYUPYEID-QRWLVFNGSA-N 391.468 -0.065 30 20 GBED C/N=C(/NCCN1CCOCC1(C)C)N1CCN(c2cnn(C)c2)C(=O)C1 179125763 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GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@H](O)[C@@H]32)CC1 550657808 TZWQYOLEFKEYHU-GGNRJHQQSA-N 388.512 -0.261 30 20 GBED Cn1ccnc1[C@H]1CNCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 567916617 AVMIYLVWNWLLMJ-OAHLLOKOSA-N 388.453 -0.257 30 20 GBED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 588866440 XJVRWGQFXLCKJF-CZUORRHYSA-N 397.435 -0.093 30 20 GBED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(OC)c(C#N)cc2F)CC1 599935721 TVOAFEXWKWKOSJ-UHFFFAOYSA-N 391.403 -0.075 30 20 GBED N#CCCN1CCN(C(=O)C(=O)NC2CCN([C@H]3CCC[C@H]3O)CC2)CC1 602257905 FPOVFJIYAYBOTR-DLBZAZTESA-N 377.489 -0.462 30 20 GBED N#Cc1ccc(CNC(=O)CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 609204012 HVESWXHFCILWSE-UHFFFAOYSA-N 397.435 -0.532 30 20 GBED C#CCN1CCN(C(=O)CS(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC1 735381628 NXUZNLVJZBVQOK-UHFFFAOYSA-N 388.453 -0.441 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cc3c(N(C)C)ncnc3n2C)CC1 747379007 AEYODMMABNMUPG-UHFFFAOYSA-N 397.483 -0.068 30 20 GBED CN(C)C(=O)COC1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 752739179 FXMONQGTCNJLAW-UHFFFAOYSA-N 380.426 -0.959 30 20 GBED C#Cc1cccc(CNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1 836656179 KOGYBJRMGOXHLS-UHFFFAOYSA-N 382.424 -0.160 30 20 GBED COC[C@@]1(C(=O)O)CCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 843332612 VMSLZSIYNVAAKL-MRXNPFEDSA-N 381.410 -0.071 30 20 GBED C[C@H](CC(=O)NCCN1CC[C@H](O)C1)/N=C1/NS(=O)(=O)c2ccccc21 863832268 WTZWSBZSHYLMDU-OLZOCXBDSA-N 380.470 -0.314 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnn(C)n2)C1 990903875 WPYGULNINRJQFW-RZFFKMDDSA-N 386.416 -0.820 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C)cn1 994387197 UAILMHZRKAFLKG-QIJZBDPFSA-N 384.436 -0.080 30 20 GBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1C 1106660979 JDNNQOLJLMHNNY-LVQVYYBASA-N 380.489 -0.392 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccnc2nc(C)nn12 1109971960 QXIZYSYJONABEV-ATGSNQNLSA-N 381.440 -0.094 30 20 GBED CNC(=O)[C@@H](C)CN(C)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 1116715097 BEHRTZUGCGBXJZ-LBPRGKRZSA-N 383.412 -0.023 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCCS(=O)(=O)Cc2ccccc2)nn1 1118174485 ZKJSKPNPLRIQJN-UHFFFAOYSA-N 391.453 -0.189 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)CC1 1119546568 BLQAFAFYIUKHKB-CQSZACIVSA-N 399.451 -0.069 30 20 GBED CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1 1257383443 VJDWLZSVHSPWOI-AAEUAGOBSA-N 380.426 -0.477 30 20 GBED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1286966548 UMDKDRBUJDQVSQ-STQMWFEESA-N 375.433 -0.316 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)nn1 1328108344 XULUHMMKAQTMHO-HNNXBMFYSA-N 376.461 -0.349 30 20 GBED CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C(=O)O)CC2)c1 1573340215 MXFFOPTYGVGRJU-UHFFFAOYSA-N 378.406 -0.147 30 20 GBED C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N)[C@H]1CCS(=O)(=O)C1 1574673893 QWFLDVQCTDAXDD-STQMWFEESA-N 394.501 -0.407 30 20 GBED C#CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H](CC)N(C)C)CC1 1575004823 MRRXXCFVZXFDAT-QGZVFWFLSA-N 389.504 -0.313 30 20 GBED C#CCOCCC(=O)NCC1[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]12 1588361438 MXKGIYREJJSVDD-KBPBESRZSA-N 383.412 -0.331 30 20 GBED C=CCNC(=O)[C@@H](C)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588657747 VUFDCKBZLFRTMU-NEPJUHHUSA-N 390.448 -0.750 30 20 GBED C=CCNC(=O)NC(=O)CN(C)[C@@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588658241 DAXDZIAXFWRXRO-JTQLQIEISA-N 389.420 -0.743 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@](COC)(C(=O)O)C2)cc1 1602702117 JUPTZTRYKJLZJY-KRWDZBQOSA-N 396.421 -0.460 30 20 GBED Cn1c(=O)[nH]c(N2CCN(C(=O)COc3ccc(F)cc3)CC2)c(C#N)c1=O 1654975137 XFEIQRNISIAOLR-UHFFFAOYSA-N 387.371 -0.188 30 20 GBED CC(=O)N(CC(=O)O)C[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CCO1 1776201220 XPTXSRCYZCEHLN-ZDUSSCGKSA-N 382.398 -0.724 30 20 GBED C[C@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)N1CCN(C)CC1 1781094600 JZAAGESLMIKYNC-OXQOHEQNSA-N 389.500 -0.244 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4ncccc4n3)[C@H]2C1 1788016839 YZUZYOPWJYXWJW-YDHLFZDLSA-N 397.391 -0.589 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nnc1C)C2 1792488478 BZPJBCJUOKHJFM-LXBXGBMDSA-N 388.428 -0.825 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(=O)n2O)CCC1 1794361773 KTJPDGZFFMQUBE-YWVIFJGQSA-N 386.408 -0.017 30 20 GBED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC)C(=O)O 1795641364 OSAGBLBMPMFMLO-KRXQYRFLSA-N 397.472 -0.379 30 20 GBED O=C(CN(CCO)CCO)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#Cc1ccccc1 1795691470 HPVZMHXZORLJIH-ACDBMABISA-N 399.491 -0.037 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797817034 WYRPXQCTGQJVKY-BBSZGIATSA-N 393.396 -0.807 30 20 GBED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2)N1CCN(C)CC1 1799182332 MQEMZHPZIBYCDW-CUSZFKRNSA-N 377.489 -0.484 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cncn1 1801355124 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398.467 -0.115 30 20 GBED COCCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H](C)C(N)=O 436131040 OZTXDGHZCQXLPF-GFCCVEGCSA-N 378.433 -0.675 30 20 GBED C=CCC[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)OCC 456629058 OTUYDRMGQSUBHV-LLVKDONJSA-N 377.401 -0.552 30 20 GBED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 463693893 VNVNTLUSMPEOAH-UHFFFAOYSA-N 394.453 -0.076 30 20 GBED CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CCC#N)n1 507636891 AAIYPHISCSCQLM-CHWSQXEVSA-N 396.473 -0.041 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCC(C)(C)CCC#N)C2 513113779 RXVSYQONDKBETD-UHFFFAOYSA-N 377.449 -0.012 30 20 GBED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 539179329 VRLKEKALYFFPRB-UHFFFAOYSA-N 389.460 -0.271 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cn(CC(=O)O)nn2)c1 548262562 JFDSECUXTVWFTD-UHFFFAOYSA-N 379.398 -0.243 30 20 GBED COC(=O)c1cn(CCNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)nn1 551332465 IPXIHURZMVOBIX-UHFFFAOYSA-N 391.409 -0.332 30 20 GBED N#CCNC(=O)CNC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 558300614 MEUMQMSWMMFTBX-UHFFFAOYSA-N 399.404 -0.392 30 20 GBED COCCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 568252568 XHEHGLBPKLVHRD-UHFFFAOYSA-N 386.455 -0.009 30 20 GBED CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](CN)C1 569323433 VBKVMCBUSZVYHN-IAGOWNOFSA-N 398.467 -0.729 30 20 GBED COCCn1nnc2c1CCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C2 573818305 TXWUZEMKVFFMPS-SFHVURJKSA-N 389.504 -0.025 30 20 GBED CCOC(=O)C[C@@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 597677444 NBNFPERKRVXSIA-AAEUAGOBSA-N 383.426 -0.345 30 20 GBED C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(-c2nn[nH]n2)c1 735375209 VSTRIXNJVXUMOJ-JTQLQIEISA-N 399.429 -0.183 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nnnn1C1CC1 742851088 MOUBYWIOABALFH-UHFFFAOYSA-N 375.414 -0.247 30 20 GBED CNS(=O)(=O)CCCOC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 777040997 CFHAZXCWLQFLSF-UHFFFAOYSA-N 375.428 -0.681 30 20 GBED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cnc(OC)c(C(N)=O)c2)c1 783464956 OVVSIIMQRKARIF-UHFFFAOYSA-N 395.375 -0.136 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)OCc2nc(N)nc(N(C)C)n2)c1 792629499 QELYOMZGLDFJOW-UHFFFAOYSA-N 390.425 -0.212 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCOC 795186781 CYHJKAOJCCNQEX-UHFFFAOYSA-N 389.481 -0.373 30 20 GBED CC(C)(C)OC(=O)N1CCO[C@@H](CNS(=O)(=O)N2CCO[C@H](C#N)C2)C1 841528979 XKRYZDORVZEZNF-OLZOCXBDSA-N 390.462 -0.319 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCn2cncc2C1 848959244 FTWYWNORLAUKKQ-UHFFFAOYSA-N 385.471 -0.793 30 20 GBED C#CCN(CC(=O)O)S(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 849220196 JJVLOIKKMUXDKV-INIZCTEOSA-N 395.393 -0.542 30 20 GBED C#CCN1CCC[C@@H](NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 923597950 RSWBPXMDRCPDDV-ZIAGYGMSSA-N 380.470 -0.634 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)[C@@H]2C1 974575519 CKEMZQUSCSXEEM-TUVASFSCSA-N 390.440 -0.469 30 20 GBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)c(F)c1 1044832081 MMOBMSQZJSRNGL-LZNONINNSA-N 376.388 -0.190 30 20 GBED N#Cc1nccnc1N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCCS1(=O)=O 1055465429 KFHVVXAHLLUUBM-BZPMIXESSA-N 376.442 -0.390 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1057576921 RZBKEVXPDMTCNN-SUMCQTLJSA-N 393.484 -0.182 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)Nc2cc(C)nn2C)C[C@@H]1O 1083790600 RSLVZAAMCJJPRY-KBXIAJHMSA-N 377.445 -0.581 30 20 GBED C=CCN1CC[C@H](N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2CCCNC2=O)C1=O 1095681059 HCTCMMGNOZJVAH-UGUYLWEFSA-N 375.473 -0.090 30 20 GBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O 1110074506 XZVHQSQETLBVLN-MQYQWHSLSA-N 377.445 -0.707 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)CC1 1118533206 OCMUBZQDQBMTEA-JKSUJKDBSA-N 396.451 -0.271 30 20 GBED CN(Cc1cccc(NC(=O)C(=O)NCC(=O)NCC#N)c1)C(=O)C(F)(F)F 1324973195 ISARABQBXUVYHK-UHFFFAOYSA-N 399.329 -0.098 30 20 GBED C=C(C)CN(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 1328547411 JKMDGCYHWZRCME-UHFFFAOYSA-N 398.441 -0.754 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)CC1 1328987423 KGCWOSJBUWJXMO-OAHLLOKOSA-N 377.441 -0.224 30 20 GBED C=CCCOCC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573336134 JEFNBRFIAPIBLH-UHFFFAOYSA-N 375.389 -0.909 30 20 GBED C[C@@H](C(=O)NCc1cnn[nH]1)N1[C@H]2CC[C@H]1CN(C(=O)CSCC#N)C2 1575216187 GCBKKQLRWYBHFP-UBHSHLNASA-N 377.474 -0.259 30 20 GBED C#CCNC(=O)CN1CC[C@H](N(CCC)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353874 ACPISGICTFHOOR-AWEZNQCLSA-N 384.444 -0.129 30 20 GBED C#Cc1ccc(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nc1 1588368274 SLEPWCAGPRYLAP-NSHDSACASA-N 380.368 -0.908 30 20 GBED N#Cc1nc(N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cnc1-c1nn[nH]n1 1592704836 QIPXUWJOCZDLOW-JTQLQIEISA-N 389.445 -0.173 30 20 GBED CC(C)C#CC(=O)NCCCN1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 1603190090 VUINTILWXQFYRK-UHFFFAOYSA-N 383.460 -0.056 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1 1778002618 AMBOTRDWINFTFC-OIPACUDHSA-N 383.493 -0.413 30 20 GBED C[C@@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1781247030 KEAKQOBVVRRAJZ-ZUJLDJOKSA-N 376.413 -0.337 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncnn1C)CCO2 1781265964 YTRNLHSZFTYLAR-GOSISDBHSA-N 391.428 -0.232 30 20 GBED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)NC)C[C@@H]21 1789890404 RLAREHFCKXSJKH-KKUMJFAQSA-N 395.456 -0.388 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1C 1794584186 VYFBQWOILHTIQB-AFIMGQEJSA-N 387.436 -0.373 30 20 GBED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2 1801992474 MIVXMPPMPBFQIS-XOIINTDNSA-N 396.407 -0.041 30 20 GBED CC(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1825229872 YABZOESRDIYNKX-WCBMZHEXSA-N 378.410 -0.332 30 20 GBED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1830708916 PYPWYLUVSZNZRI-KHYOSLBOSA-N 393.440 -0.054 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1831485261 AHKYTLYLDZLOOO-XUWXXGDYSA-N 399.513 -0.324 30 20 GBED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)n1ccccc1=O 1834761359 ZLPAAOIEVCOSHK-DNVCBOLYSA-N 388.424 -0.221 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835311760 CUHYNHVJJSKTPO-KHYOSLBOSA-N 379.457 -0.066 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838060884 BWPRYZRKDRPAMF-KRWDZBQOSA-N 377.401 -0.265 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1839840905 NHUKIBMZAHXNCP-RHSMWYFYSA-N 378.433 -0.658 30 20 GBED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840852779 ZAZUSWMFQMWFRX-MAUKXSAKSA-N 380.445 -0.339 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)NC(=O)OCC)C1 1844158406 QLGCRJNQWREDGK-CHWSQXEVSA-N 383.445 -0.173 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1 1845810123 GRYWGSVMKYJIHO-GFCCVEGCSA-N 382.417 -0.466 30 20 GBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1846197460 PYAIEKOUWGSZOG-UHFFFAOYSA-N 381.435 -0.862 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2n(n1)CCNC2=O 1847801470 WJNRDTHVMNWKKO-QEJZJMRPSA-N 385.424 -0.520 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCN(CC(C)(C)O)C[C@@H]1C)c1cc[nH]n1 278333418 MHPPFFJMAXVLEZ-JEEMYIIMSA-N 395.460 -0.003 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 281868136 UMPSTSJXWKWZQY-CJNGLKHVSA-N 392.460 -0.361 30 20 GBED C=CCn1c(=O)/c(=C\c2cnn(C)c2)s/c1=C(\C#N)C(=O)NC[C@H]1CCCO1 297106610 ZPSDHFORMAUVHQ-ISJVLDMRSA-N 399.476 -0.372 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 410153228 DKYUMPGCFTXMPX-UHFFFAOYSA-N 387.506 -0.667 30 20 GBED CCOC(=O)CN(CC(N)=O)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 520863682 AYZAPCRXUPYMMQ-UHFFFAOYSA-N 396.425 -0.713 30 20 GBED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN2C(=O)NC(=O)[C@H]2C1 535667775 SXVHKAWMIFRWKO-CQSZACIVSA-N 379.380 -0.082 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)C[C@@H](C)N1C 563432006 UTARECUYFIZPGU-BETUJISGSA-N 380.536 -0.048 30 20 GBED CS(=O)(=O)N1CC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 578197369 IFVLIHYRZKHUAS-CQSZACIVSA-N 378.458 -0.181 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)ncc1C#N 581079826 GKPMDWMCNSMISZ-OAHLLOKOSA-N 384.440 -0.035 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCN4CCC[C@H]4C3)CC2)c1C#N 585725507 SFUKHMHDWKJWHD-CVEARBPZSA-N 399.499 -0.008 30 20 GBED C[C@]1(O)C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2ncc(C#N)s2)C1 594638590 YOTJTQMGSJIANS-WVSHTKLVSA-N 394.500 -0.021 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC(NS(C)(=O)=O)C1 600033143 SCPPYCWMWJVQPV-UHFFFAOYSA-N 396.425 -0.718 30 20 GBED N#CCN1CCC(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 609337585 AAYYHVZTDUCFDO-UHFFFAOYSA-N 376.461 -0.549 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@]1(C#N)CCSC1 610782316 QOJPNXHMWMXTQK-MEBBXXQBSA-N 382.467 -0.032 30 20 GBED C[C@@H](NC(=O)c1cccs1)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732909980 IGMOMZJFMGNDSB-GHMZBOCLSA-N 383.451 -0.168 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@H](C(F)(F)F)C2)c1=O 739875361 QNKHQGWORMWOOY-LLVKDONJSA-N 376.335 -0.236 30 20 GBED CNS(=O)(=O)[C@@H]1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 749788997 BWMNXQVAUNODLO-RHSMWYFYSA-N 391.453 -0.094 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(N)=O)C2CCOCC2)c1 752455717 GSRCZAQPDJYGEE-INIZCTEOSA-N 393.465 -0.002 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 769779291 WFMZXWRCCZVYHC-UHFFFAOYSA-N 380.382 -0.608 30 20 GBED Cn1ccnc1[C@](O)(CCNS(=O)(=O)N1CCO[C@H](C#N)C1)C(F)(F)F 800056303 LHOLZQKWKUMMSH-ZYHUDNBSSA-N 397.379 -0.381 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(n2cnnc2O)CC1 819581548 ZDQKRCVXZYVSKD-UHFFFAOYSA-N 390.425 -0.114 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2c2ncccn2)CC1 831556483 OVCWNXIKLRGCHB-AWEZNQCLSA-N 378.458 -0.943 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C(=O)NCCCc2ccccc2)CC1 831561526 YRNMTQYIGMXDNI-UHFFFAOYSA-N 392.481 -0.653 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2c(OC)cccc2OC)CC1 831565749 ZFJLWOBSAQUKMT-UHFFFAOYSA-N 381.454 -0.142 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)CC1 831584605 NBZZVUZMMVIUEB-RRFJBIMHSA-N 382.486 -0.707 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]21 960977921 MDCNYLDQRZPLQW-CBBWQLFWSA-N 391.424 -0.932 30 20 GBED Cn1c(=O)ccn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nn2)c1=O 1055465695 VFQLDOPMESTPNP-MCIONIFRSA-N 381.396 -0.865 30 20 GBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C(F)(F)F 1112166538 ZWXSMEQPIMTGKQ-FVCCEPFGSA-N 377.363 -0.352 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1ccc2c(c1)CCS2(=O)=O)[C@H]1CCCO1 1117585780 MMKIRRRTKMYKKC-LSDHHAIUSA-N 376.434 -0.070 30 20 GBED COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 1196812258 MDYSXNBCGRIJGV-DODZYUBVSA-N 386.452 -0.588 30 20 GBED C[C@H]1CN(C(=O)C(=O)NCCc2ccc(C#N)cc2)CCN1S(C)(=O)=O 1261620049 UJAWIVRVNFVUPM-ZDUSSCGKSA-N 378.454 -0.291 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NCCS(=O)(=O)NC(C)C)n1 1321975543 UADLHFBIKCMTLK-UHFFFAOYSA-N 383.474 -0.691 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(OCC(N)=O)CC2)c1 1322166867 DYGVCTKZVRNYBP-UHFFFAOYSA-N 379.438 -0.295 30 20 GBED C=CCN(C(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)[C@@H](C)COC 1329748368 DVXNFQXYNXSWOU-AWEZNQCLSA-N 389.456 -0.121 30 20 GBED COC(=O)CN(CC#N)C(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1339347350 QACXQRLGYWDYAQ-UHFFFAOYSA-N 397.457 -0.346 30 20 GBED CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cc1 1345857925 MNNHPYDPFLQFCN-QGZVFWFLSA-N 395.437 -0.538 30 20 GBED C#C[C@@H](NC(=O)C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1)[C@@H]1CCCO1 1347268947 JCWVARKVYZXBSK-CABCVRRESA-N 399.513 -0.008 30 20 GBED N#Cc1cn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nn1 1559420305 MJZUFOYDFCDHHC-UHFFFAOYSA-N 385.409 -0.445 30 20 GBED N#Cc1cc(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[nH]n4)nn3)C2)c[nH]1 1571153665 TUKYVPPHAQFCBD-LBPRGKRZSA-N 380.372 -0.190 30 20 GBED C#CCOCCC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 1573288569 WAMXJCATNRLTMC-IUODEOHRSA-N 383.412 -0.092 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(NC(=O)CC(=O)NCc2cnn[nH]2)CC1 1575054419 UDEYHWHNJRECDY-BBRMVZONSA-N 390.444 -0.443 30 20 GBED C=CCN1CC[C@@H](N[C@@H](CO)CNC(=O)c2ccc(-c3cnn[nH]3)nc2)C1=O 1575103649 HCSZLROOKKIBHB-UKRRQHHQSA-N 385.428 -0.666 30 20 GBED C[C@@H](OCc1cnn[nH]1)C(=O)N1CCCCC[C@H](NCC(=O)NCC#N)C1 1575823332 PPHNJNPJRWYUFI-KGLIPLIRSA-N 377.449 -0.290 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(C)CN(c2nccnc2-c2nn[nH]n2)CCO1 1588504394 KICKEGBGMGIZOP-SJORKVTESA-N 388.432 -0.305 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)N(C)CCNc1ccc(-c2nn[nH]n2)nn1 1588658455 LAVIGLDVKMXWOM-UHFFFAOYSA-N 388.436 -0.209 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H](OCC)[C@H](CN=c2cc[nH]cc2-c2nn[nH]n2)C1 1602726794 SYGIWWJFZMPTCN-JJRVBVJISA-N 399.455 -0.003 30 20 GBED C#CCOCCC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)c(C)n2)C[C@H]1OC 1602729238 LGMSQVNMHFLPIC-HUUCEWRRSA-N 385.428 -0.070 30 20 GBED C=C[C@@](C)(O)CC(=O)NCCN1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1602794485 UAORQNYQYTTXCG-GOSISDBHSA-N 386.460 -0.173 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)N1CCO[C@@H](CN)C1 1602854127 VFBATWUIIVWHEL-HNNXBMFYSA-N 385.428 -0.433 30 20 GBED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(N)=O)C1 1722543547 QSYOJOAUDJQPTH-NXEZZACHSA-N 376.870 -0.048 30 20 GBED O=C1CC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)N1 1779016924 VHOIHRRGZPBTAX-IOVBUETRSA-N 391.472 -0.433 30 20 GBED CN(C)CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779100288 ANJSEUJSLFOWOG-FHIITYSISA-N 382.461 -0.093 30 20 GBED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1779103871 CBBCPTRFMWPFJQ-JUHMNFSHSA-N 392.416 -0.223 30 20 GBED CN1N=C(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)CCC1=O 1780331015 KQWYDGRWERGUGP-IBGZPJMESA-N 398.423 -0.062 30 20 GBED CC[C@@H](C)[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010890 JLXAIBJPHRQILR-XNWVLMOPSA-N 380.441 -0.005 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784112447 NFIZYIWJNLIRGW-SFHVURJKSA-N 393.465 -0.340 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1784501373 QTDFGICNPHHQBE-GVRJEKJASA-N 396.488 -0.850 30 20 GBED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1784536199 PBNNBJAHCLGOIV-UHXUCMFUSA-N 382.486 -0.204 30 20 GBED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)C1(O)CCC1 1791073184 PSRWHISBYBSHPT-AJNGGQMLSA-N 378.425 -0.395 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)Cc1ccccc1)C2 1800779022 LVDNGGZZAMYAOM-RCJHGTSTSA-N 386.404 -0.732 30 20 GBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1cccnc1)C2 1800984695 FCGWMPUACKQLMW-FMSGJZPZSA-N 378.454 -0.072 30 20 GBED N#CCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813173098 SBMQWUXFIGJAQC-LIRRHRJNSA-N 381.392 -0.074 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCOC1=O)CC2 1825661040 FWELVDBEEUTTSZ-VIFPVBQESA-N 392.393 -0.405 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C)COC1)CCO2 1830026706 NKFMDTGEXNKDEV-DNVCBOLYSA-N 380.441 -0.482 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)CCO2 1831094550 SOKJYEFQOKCGPB-APWZRJJASA-N 379.457 -0.373 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1831391358 NYDDEEQXYYXAHR-KDOFPFPSSA-N 376.413 -0.482 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1831421772 QYKYGCAFLJQTDL-QFBILLFUSA-N 392.456 -0.069 30 20 GBED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1831670134 NUJJUEYALVUURO-CABCVRRESA-N 375.425 -0.027 30 20 GBED C[C@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1835523705 VEGRMVQFLSLKGX-DNVCBOLYSA-N 395.504 -0.681 30 20 GBED Cn1nncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838732398 OSPYSRHLQQETPD-GOSISDBHSA-N 399.411 -0.601 30 20 GBED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1839159146 UUKYYQJWWDKWLS-VQIMIIECSA-N 397.472 -0.440 30 20 GBED O=C1C[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CCN1 1840227497 SQIHUMSVUQCKMT-UZLBHIALSA-N 389.452 -0.618 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1840479816 DDIGVJDURYVSNG-YOEHRIQHSA-N 376.417 -0.896 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1840479873 JHLNKINWHIXZAD-TYNCELHUSA-N 384.462 -0.991 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@H](C)O)CC2)cc1 270868067 MSASYNHAQAZHTK-ZDUSSCGKSA-N 381.454 -0.184 30 20 GBED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 275702182 YSWZWLKJABWCIM-CQDKDKBSSA-N 395.437 -0.250 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCCC[C@@H]1CNC(N)=O)c1cc[nH]n1 278201003 SDPBMKPFWTYGFK-PZWTZLACSA-N 380.405 -0.257 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)Cc2ccccc2S(C)(=O)=O)CC1 283306968 DLQRWTNDDMYNCQ-UHFFFAOYSA-N 391.493 -0.084 30 20 GBED CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 349462271 SPKDQWXOHPEJPN-CYBMUJFWSA-N 379.529 -0.068 30 20 GBED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3C[C@@H](O)[C@H](O)C3)ccc21 434570666 BOWJPYRECRHVMW-HZPDHXFCSA-N 386.408 -0.228 30 20 GBED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C(N)=O 439888853 QMOPZSDILSOMBX-ZDUSSCGKSA-N 383.412 0.153 30 20 GBED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1 440286841 YYDKVPNPITYXDU-ZDUSSCGKSA-N 395.441 -0.178 30 20 GBED C=CCNC(=O)CS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cn1 507824069 NBNZDCVDLYJUOY-UHFFFAOYSA-N 389.455 -0.822 30 20 GBED N#Cc1ccc(N2CCN(C(=O)Cn3cc(S(N)(=O)=O)cn3)CC2)nc1 538419633 SSZQATOCCYITNU-UHFFFAOYSA-N 375.414 -0.854 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1 557542698 IQCVJFKSJOFCKD-DUVNUKRYSA-N 376.438 -0.051 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(OCCOC)nc2)C1=O 563903338 WQWZKHJIHMEZRQ-HNNXBMFYSA-N 390.440 -0.032 30 20 GBED C[C@H](O)CN(CCO)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 566469774 NLRBMBRTQZTQEW-RYUDHWBXSA-N 391.471 -0.759 30 20 GBED CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cnccc2C#N)CC1 581920187 KZMXUORXLVUCGV-UHFFFAOYSA-N 387.487 -0.656 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)CC1 590991449 OBNOEYJTHBYSHE-HITLURFISA-N 381.436 -0.170 30 20 GBED CCCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(C)c1=O 596167207 FHIPTACRGVXAIJ-UHFFFAOYSA-N 375.454 -0.681 30 20 GBED Cc1nc(=NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)n(-c2ccc(C#N)cc2)[nH]1 598685624 PRBXQPNKLHUTDD-OAHLLOKOSA-N 388.453 -0.073 30 20 GBED CN(CC(=O)Nc1ccc2c(c1)OCCO2)c1c(C#N)c(=O)n(C)c(=O)n1C 599196152 OCZXPJMRBCGRLE-UHFFFAOYSA-N 385.380 -0.198 30 20 GBED COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@](C)(C#N)C2)cn1 612269870 CBBARMAPPQGKSF-KRWDZBQOSA-N 376.417 -0.264 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1 728532709 HSSINYLVOWJCBQ-UHFFFAOYSA-N 393.447 -0.201 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745482998 PTNHVMHHUZMCPA-NJTOFLHLSA-N 377.397 -0.254 30 20 GBED N#CCNC(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 758094066 VIEDRFPFOKLFLV-LLVKDONJSA-N 375.790 -0.838 30 20 GBED C[C@H](CC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)/N=C1/NS(=O)(=O)c2ccccc21 759850243 OFJAAQOXUFIIHL-MDZLAQPJSA-N 394.453 -0.347 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COCc2cccc(OC)c2)CC1 761036932 IJNNDDLDEDASQN-QGZVFWFLSA-N 397.497 -0.342 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN4C(=O)OC[C@@H]4C3)n2)cc1 764294872 PTBNPJGRAIMVMU-AWEZNQCLSA-N 395.379 -0.200 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc3cc(C)nn3c2C)CC1 831556440 NGQBPQVXRXKUFU-UHFFFAOYSA-N 376.442 -0.428 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cccc(C(=O)OC)c2)CC1 831564701 DMTKPDYELLBBDT-UHFFFAOYSA-N 379.438 -0.373 30 20 GBED C#CCN(C)CCCNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 838623719 ITOGIAFZPHWWIF-INIZCTEOSA-N 386.518 -0.223 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2C)c(=O)n1CCOC 840711997 FANBJSZZVIUYMT-UHFFFAOYSA-N 391.449 -0.277 30 20 GBED Cc1cc(N(C)C)ccc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 841634565 ZQJVMKIZBAQLNZ-UHFFFAOYSA-N 379.442 -0.229 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N=c1nc[nH]n1C)C(C)(C)C 848962304 SLWFYPUQRDOMCD-LLVKDONJSA-N 377.492 -0.664 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CNC(=O)C[C@H]2C(F)(F)F)CC1 874382657 KAFYNKUPWLGOBZ-QWHCGFSZSA-N 388.390 -0.415 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccn(CCN(C)C)n2)C1 964605581 UHLUIABXSHEILE-SIXLDLHFSA-N 391.472 -0.663 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2nonc2C)C1 990901315 VSMFZXGETIDOJI-MQYQWHSLSA-N 387.400 -0.257 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnn[nH]2)C1 990906657 NAEWKPQFSBFTBN-RZFFKMDDSA-N 386.416 -0.441 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3nnc4n3CCOC4)C[C@@H]21 1083198840 SZGCPQQSHXHDPA-FXUDXRNXSA-N 389.456 -0.189 30 20 GBED N#Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1 1117218133 AKHASDSXGFTDSC-UHFFFAOYSA-N 385.424 -0.229 30 20 GBED Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)s1 1117515130 WXDHZENIWRBFGV-CQSZACIVSA-N 388.446 -0.085 30 20 GBED N#CCn1cc(NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cn1 1319359056 MQVNSESUWUNJJR-IMIFBBOLSA-N 382.380 -0.732 30 20 GBED CC1CCN([C@H](C)CNC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1321914699 ZKFXIKYYQBDQQR-UPTRSRDDSA-N 391.472 -0.134 30 20 GBED Cc1cc(CN2CCN(C(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)on1 1329716428 GMRQYKMJLHCUFW-MRXNPFEDSA-N 386.456 -0.174 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 1330521746 OIIVTKWUCNMMJN-QLFBSQMISA-N 377.422 -0.410 30 20 GBED CCN(C(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@H]1CCNC1=O 1348421626 IUSCPLHLKIQTEO-IRXDYDNUSA-N 383.452 -0.040 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2ccc(Cl)c(-c3nn[nH]n3)n2)CC1 1588354085 PWYMHSUESZDOTO-UHFFFAOYSA-N 382.837 -0.495 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(n3cc(C(=O)O)nn3)CC2)C1=O 1588832459 OUCIWIQLHCMMBS-UHFFFAOYSA-N 390.356 -0.883 30 20 GBED C[C@]1(C#N)CCN(C(=O)C(=O)N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)C1 1590055568 UPIWLRVNHOLXAU-GOSISDBHSA-N 395.427 -0.328 30 20 GBED N#Cc1ccc(CNC(=O)N2CC(n3cc(-c4nn[nH]n4)c(O)nc3=O)C2)cc1 1592693252 OLRXYFICUYPCMI-UHFFFAOYSA-N 393.367 -0.233 30 20 GBED CCOC(=O)c1c(NC(=O)N2C[C@@H](CO)[C@@H](O)C2)c(C#N)cn1CCOC 1623545895 STJTWBYFQBQXPE-STQMWFEESA-N 380.401 0.000 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCN1CCC2(C1)OCCO2 1633488952 QDLAIXFRNCJZRZ-UHFFFAOYSA-N 394.453 -0.710 30 20 GBED CCOC(=O)CC1(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)COC1 1648313526 LMWKXRYHYCDRCH-UHFFFAOYSA-N 395.437 -0.046 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)N(C)C 1761483313 WMWWHRNKLBCNCE-IINYFYTJSA-N 387.441 -0.582 30 20 GBED COc1ccc(C(=O)O)cc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 1776052068 DXZAFKWKTSPBBZ-UHFFFAOYSA-N 396.381 -0.897 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1778778762 BLUYANHAGQPCIF-SJKOYZFVSA-N 382.417 -0.569 30 20 GBED COC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019760 DWLXWTGCDMIRIB-TYJAPOHBSA-N 395.460 -0.356 30 20 GBED C[C@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066713 CHAHORPOBBFOBS-JXFKEZNVSA-N 391.468 -0.351 30 20 GBED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1 1781316835 DDJRHAMIGPMRGB-JHBOHYQCSA-N 379.413 -0.463 30 20 GBED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)N1CCOCC1)C2 1782196994 ADELYTWJWCQAAK-SZVBFZGTSA-N 381.473 -0.273 30 20 GBED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(O)O)[C@H]3C2)c1 1783867628 LURSFHKAMKWTDM-WHOFXGATSA-N 377.372 -0.399 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCOC3)C2)C1 1784714516 RJMBLSDLIAXWIZ-UWXNHABZSA-N 377.441 -0.289 30 20 GBED N[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)c1ccccn1 1786874919 TTZPCAARTIMPSN-ATZCPQFDSA-N 386.408 -0.851 30 20 GBED Cn1cc(F)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791075747 UYEGGIQGPRLUHE-WHOFXGATSA-N 377.372 -0.155 30 20 GBED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793258546 ITAMPPSURDNVBJ-FAYQHZLMSA-N 397.497 -0.683 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1794011571 BQUVDDVGUVBGEQ-CRWXNKLISA-N 392.456 -0.251 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnc[nH]1)C2 1795598595 LPLSQUWHTUXZNJ-XOIINTDNSA-N 388.472 -0.176 30 20 GBED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2 1797744387 JKASAVCMBJCQGI-SJRUWTAKSA-N 389.460 -0.661 30 20 GBED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1800544133 KXKYHWURKPZQGE-GFQSEFKGSA-N 388.415 -0.620 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC(=O)C1 1802004493 LFGVTUOAMSPQEU-BEXDMUFCSA-N 375.425 -0.587 30 20 GBED CC(=O)N[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825671700 MTRUOSVPWBCQLB-WPRPVWTQSA-N 378.410 -0.332 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CC)C2)C1 1829762999 XEQOGCONWUFILK-RVBASHTNSA-N 395.456 -0.928 30 20 GBED Cn1ccc(=O)cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831218094 LWNCIPNHHGQJRJ-NRFANRHFSA-N 399.447 -0.131 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1831394236 ZPAVEUSJBXZCFU-KDOFPFPSSA-N 391.428 -0.779 30 20 GBED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1831470777 IKFXNZOLSSXTHJ-IBGZPJMESA-N 392.456 -0.339 30 20 GBED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1 1833220174 XMWWFXRVSMASBP-UHFFFAOYSA-N 383.489 -0.149 30 20 GBED Cn1c(N2CCN(C(=O)Cc3ccccc3F)CC2)c(C#N)c(=O)n(C)c1=O 116006452 ISSXIYHMIPFTAG-UHFFFAOYSA-N 385.399 -0.014 30 20 GBED C/N=C(/NC[C@H]1CCCN1S(C)(=O)=O)N1CCN(C[C@@H]2CCOC2)CC1 261856642 XXNZPLPXEGGGGQ-JKSUJKDBSA-N 387.550 -0.360 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)c1 266276528 SXCIGFKFYVFNQU-KNCCTNLNSA-N 395.419 -0.236 30 20 GBED COC(=O)[C@]1(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCOC1 268008961 PGDYDTQMYFJJOT-INIZCTEOSA-N 381.410 -0.060 30 20 GBED CS(=O)(=O)N1CCCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 270230432 UDNNHRFTBVTBPQ-UHFFFAOYSA-N 376.438 -0.059 30 20 GBED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCN2CCNC(=O)C2)cc1 286985379 AJIDLUQXOQNXOH-GFCCVEGCSA-N 379.442 -0.074 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCO[C@]2(CCOC2)C1 349552126 JNDOLBSTTYPZOM-UONOGXRCSA-N 395.503 -0.581 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CCNC(=O)OCC(F)(F)F)CC1 365382322 ZNKSISVBGNOJNA-UHFFFAOYSA-N 392.378 -0.051 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 409507930 BTGOGIYBIOHXEZ-STQMWFEESA-N 377.430 -0.672 30 20 GBED C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C[C@H](CO)O1 460074851 HHBQJTATAYRBPW-DZGCQCFKSA-N 390.415 -0.046 30 20 GBED CCC(C#N)(CC)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 528603665 MCZMPONDBAOZOB-AWEZNQCLSA-N 384.502 -0.236 30 20 GBED N#Cc1ccc(NC(=O)CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 533060247 BYVFQRPBPVSIDY-JKSUJKDBSA-N 378.454 -0.416 30 20 GBED CN1CCN(S(=O)(=O)c2cccc(NC(=O)NCC(=O)NCC#N)c2)CC1 558308287 VHHZNXWOEKQKET-UHFFFAOYSA-N 394.457 -0.616 30 20 GBED C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 575935391 RQNOPFDNAYKVPJ-KPWVOAKYSA-N 393.512 -0.124 30 20 GBED CC(C)N(C[C@@H](O)CO)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 584182974 QOWHBMRTHZQYSJ-GFCCVEGCSA-N 391.471 -0.759 30 20 GBED CSCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(N)=O 600256335 ARCWIGJPUAMNKV-GWCFXTLKSA-N 384.483 -0.052 30 20 GBED C[C@@H](OC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)Nc1cccc(C#N)c1 748426415 CDQBXDPYYMCLHP-SNVBAGLBSA-N 377.382 -0.027 30 20 GBED COCCn1c(C)cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1C 771891220 KKGRNYFRQIGUEB-UHFFFAOYSA-N 397.457 -0.539 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1)[C@@H]1CCCO1 786662695 KNTAXNCSWVVELL-CABCVRRESA-N 379.438 -0.622 30 20 GBED C#C[C@H](NC(=O)C(=O)N(C)[C@H]1CCN(C2CCN(C)CC2)C1)[C@H]1CCCO1 809305405 CIAJZZICWDJBGY-OKZBNKHCSA-N 376.501 -0.090 30 20 GBED CCOC(=O)CON=C(C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1)c1cc[nH]n1 855681261 QUFXGXQRKJUHQM-VXGBXAGGSA-N 377.401 -0.179 30 20 GBED CN(C)CC#CCNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 913514339 MVBCWIGPCGXKGA-UHFFFAOYSA-N 385.511 -0.007 30 20 GBED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)N1CCNC(=O)C1 914818774 GOMVACIPKVDMAK-UHFFFAOYSA-N 384.396 -0.348 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)[C@@H]1C 988284224 QNGKRPYIMGOOMV-HOSILWTGSA-N 377.445 -0.331 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C[C@H]2O)nn1 1023769391 PPSFQMQTPXVQSE-XOUADPBQSA-N 375.429 -0.419 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1O 1023942904 ULTRXWZDGAIODU-DCDXPUDHSA-N 376.413 -0.937 30 20 GBED C#CCOCCC(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1061584441 HUUNDJLJSQLTPH-UIBIWLFHSA-N 380.441 -0.579 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)n(C)c(=O)n1C 1110495566 BHJOGDNHMMTALW-IBWPGLOJSA-N 376.457 -0.367 30 20 GBED C#CCN1CCC(c2nnc(N3CCN(S(=O)(=O)N(C)C)CC3)n2C)CC1 1121332018 YOHLYDSXKKIRNI-UHFFFAOYSA-N 395.533 -0.444 30 20 GBED CCN1CCN(C[C@H](C)CNC(=O)NCCn2cc(C#N)c(O)nc2=O)CC1 1311977234 SPAJFPVRLVCDLJ-CQSZACIVSA-N 391.476 -0.607 30 20 GBED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1315043730 UAVXOHRSUXVLJH-HNNXBMFYSA-N 397.439 -0.096 30 20 GBED N#Cc1ccc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)nc1 1321625549 IZPWKMGTSWJIRR-AWEZNQCLSA-N 392.437 -0.559 30 20 GBED C#CCSCCNC(=O)C(=O)NCC1CCN(S(=O)(=O)CC)CC1 1325243626 YVEWFZHYUVHLRM-UHFFFAOYSA-N 375.516 -0.353 30 20 GBED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1 1327818351 DBUXLDILWFZBSI-UHFFFAOYSA-N 379.442 -0.875 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 1329098356 FWFOKTMRTQUMOI-UHFFFAOYSA-N 396.451 -0.378 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC(O)(CO)CC1 1330372054 HWXYHJFTEPFDHD-UHFFFAOYSA-N 375.425 -0.121 30 20 GBED N#Cc1ccccc1OC[C@H](O)CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 1334973198 SCTJJHVWJHTKLZ-IXDOHACOSA-N 395.481 -0.927 30 20 GBED C=CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 1339494516 UKMDQOWRZTZUIZ-CHWSQXEVSA-N 382.490 -0.072 30 20 GBED O=C(NCC#Cc1ccccc1)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 1340321592 NPMPUMQUYWFUJV-UHFFFAOYSA-N 396.447 -0.553 30 20 GBED C=C(C)Cn1c(C[C@H](C)O)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1343642980 YBQGUDSBXLKGSK-INIZCTEOSA-N 392.504 -0.242 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 1352260806 IYSZFADMFVFGES-AWEZNQCLSA-N 382.486 -0.611 30 20 GBED CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CCS(=O)(=O)N(C)C 1508407387 QSKZBORDOUCHIN-GFCCVEGCSA-N 385.494 -0.096 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)O)[C@H](C(=O)OC)C2)c1 1573311802 YTDOTWSWEPFWNH-ZIAGYGMSSA-N 394.405 -0.456 30 20 GBED N#CCSCC(=O)N1CC[C@H]2[C@H](CCN2CC(=O)NCc2cnn[nH]2)C1 1577709974 KMVJKKSUFBURMM-OCCSQVGLSA-N 377.474 -0.400 30 20 GBED N#CCSCC(=O)NCC1(O)CN(C(=O)c2cncc(-c3cnn[nH]3)c2)C1 1577709989 LAOHHVWGKPLCFI-UHFFFAOYSA-N 387.425 -0.573 30 20 GBED N#Cc1ncc(N2CCC(N3CCS(=O)(=O)CC3)CC2)nc1-c1nn[nH]n1 1581881886 DFYOFRYDKVZZDE-UHFFFAOYSA-N 389.445 -0.772 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCO[C@H](CNc2ccc(-c3nn[nH]n3)nn2)C1 1588356600 YHJBVGPNVUTHDS-CHWSQXEVSA-N 386.416 -0.276 30 20 GBED C=CCOCC(=O)N1CC[C@@]2(C1)CN(c1ccc(-c3nn[nH]n3)nn1)CCO2 1588667104 RNXATKXSBUESIJ-KRWDZBQOSA-N 386.416 -0.333 30 20 GBED CN(C)CCOc1cc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)ccn1 1633122489 PNFPHPNJAIGBBL-UHFFFAOYSA-N 386.412 -0.138 30 20 GBED COC(=O)C(C)(C)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1639121482 RBJQTHPRIADBFZ-UHFFFAOYSA-N 377.401 -0.694 30 20 GBED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1783890611 SWIQVKRIKHCYBB-CRAIPNDOSA-N 384.546 -0.228 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](NC)C(=O)O)[C@H]2C1 1786893900 OWWNODCYIDYUTK-QXKUPLGCSA-N 397.472 -0.380 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1788575026 RPYUEVGJBJUJLD-NZBPQXDJSA-N 392.456 -0.585 30 20 GBED CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](S)C(C)C)C(=O)O 1793383258 OEXHYSHFNGBOMK-XXUMUBMXSA-N 387.502 -0.407 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](N)c1ccccn1 1795609794 QNKNSDLQNSHVNS-DMHIMHRUSA-N 386.452 -0.291 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccn2c(O)nnc12 1796727842 DEXZGQYHZWZAPQ-ZSBIGDGJSA-N 383.364 -0.225 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 1796955277 XDFJPVIZJNOAII-XQLPTFJDSA-N 398.423 -0.634 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC)C(=O)O)C2 1797708446 ZESZDSKRDMMFFT-YMSVYLFOSA-N 397.472 -0.788 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@H](N)C(N)=O)C2 1798393365 BZNUWUZOPUIYHQ-AICCOOGYSA-N 380.489 -0.210 30 20 GBED O=C(Cn1nccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1799411320 XBXXTVKBTDKMAS-VJDUQAHASA-N 386.412 -0.420 30 20 GBED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1830334566 IQNLUCXFIIFFKU-DXCKQFNASA-N 387.502 -0.324 30 20 GBED CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1831263692 FNUGIHGXDXZSNU-WBVHZDCISA-N 387.502 -0.467 30 20 GBED CN[C@@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1)C(=O)O 1831670365 UGPFBXDADYPWEL-LSDHHAIUSA-N 393.440 -0.243 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(C)[nH]3)CCO2)C1 1831847902 NAEUNFTVQNNJLV-KUHUBIRLSA-N 390.440 -0.174 30 20 GBED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1)n1cncn1 1835363820 APZHGAWHGCKAOW-PBHICJAKSA-N 376.417 -0.401 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4c[nH]c(=O)cn4)CCO3)C2)CC1 1838636254 VOXBMGYTENTMIK-GOSISDBHSA-N 387.396 -0.856 30 20 GBED CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1839860526 ZMVXOTVJNATMLD-KBXCAEBGSA-N 398.460 -0.620 30 20 GBED CCc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041335 HCCZOKJBRNDBQI-GOSISDBHSA-N 391.380 -0.605 30 20 GBED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840160475 ICDRXXZLAXGJTJ-IIYDPXPESA-N 387.502 -0.372 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1840165713 HRJWGSZUCTYKSO-CZUORRHYSA-N 383.474 -0.557 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 22281689 GVIUWAUQEMXRGQ-UHFFFAOYSA-N 392.437 -0.035 30 20 GBED C#CCNC(=O)[C@@H](C)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 264100940 HNGUVIGFZMGCAK-CQSZACIVSA-N 377.466 -0.014 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)CCO)cc2)C1=O 273436599 ZVVMWYIJYHFVSG-UHFFFAOYSA-N 395.393 -0.632 30 20 GBED C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 283684660 GHOMKMSJMTXOIC-OAHLLOKOSA-N 386.456 -0.561 30 20 GBED CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 286877972 HZYXNOIMOZODQN-RBUKOAKNSA-N 398.511 -0.415 30 20 GBED N#Cc1cccc(CS(=O)(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 298381865 BZRMZARZAMHYGY-UHFFFAOYSA-N 392.481 -0.136 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@]3(C2)N=C(O)N(C)C3=O)CC1 329165322 HKPOVPBYESHAQK-RDTXWAMCSA-N 376.461 -0.491 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N[C@H](C#N)C(C)(C)C)CC(=O)N1 349498949 JSUDGTYOCRKFGP-NWDGAFQWSA-N 394.519 -0.616 30 20 GBED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@H](C(N)=O)C2)CC1 367644633 LNCGZSZLDXKSPN-IRXDYDNUSA-N 389.431 -0.279 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCC(=O)N[C@H]2CCOc3ccccc32)CCO1 409791655 AVQDFIQJYFFXNS-JSGCOSHPSA-N 380.426 -0.315 30 20 GBED COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443107913 UTGHWKKKBIAGBO-LLVKDONJSA-N 382.354 -0.481 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nnnn1CC1CC1 474671297 JCBZPGWYSIMXSD-NSHDSACASA-N 389.441 -0.062 30 20 GBED C=CCOC[C@@H](NS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C)C(=O)OC 481595259 SZTWQMYRJZMRLC-LLVKDONJSA-N 398.397 -0.943 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCn4ccnc4C3)CC2)c1 519565160 CNCPEEDWOGXCLS-OAHLLOKOSA-N 379.424 -0.070 30 20 GBED N#Cc1cc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc(N)c1[N+](=O)[O-] 553307585 XEFYNMFGUZQNHE-UHFFFAOYSA-N 396.429 -0.252 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)n1 556390092 PNNPHCCGZDECDS-UHFFFAOYSA-N 378.396 0.351 30 20 GBED N#Cc1ncn(CC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H]3CO)cc2)n1 557459218 FYRSCUSHWACOLB-ZDUSSCGKSA-N 390.425 -0.066 30 20 GBED CN(C)CC(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 567969515 GHTRBLKXNIEWIN-UHFFFAOYSA-N 393.469 -0.931 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2COCCO2)cc1 568253170 GOWFNUICAWSSHM-RYUDHWBXSA-N 389.455 -0.429 30 20 GBED N#CCc1ccc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)cc1 576465049 BJKZFEPQLNMAGX-ZDUSSCGKSA-N 379.394 -0.921 30 20 GBED COCCOCCN1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 593118192 SWAYGRSYJZFQGE-IBGZPJMESA-N 395.548 -0.041 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2nnnn2-c2ccccc2)C1=O 604302145 CVZLOIJQYPVWPH-NSHDSACASA-N 383.368 -0.184 30 20 GBED COCC#CCN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 677818527 BAYPVSAVSLLTJK-UHFFFAOYSA-N 379.438 -0.026 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(CC(=O)O)cc2)CC1 736077093 XZAOIZWJWIDRJE-UHFFFAOYSA-N 379.438 -0.631 30 20 GBED Cc1cc(C(=O)O[C@H](C)C(=O)N(C)CCC#N)nc2c1c(=O)n(C)c(=O)n2C 738860426 MUETYLDDSPXXQZ-LLVKDONJSA-N 387.396 -0.142 30 20 GBED CCOC(=O)c1c(NC(=O)NN2CC(=O)NC2=O)c(C#N)cn1CCOC 770731607 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N#Cc1cc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)C4)C[C@@H]32)c[nH]1 960271142 ZASVIRYXSAZEKQ-GUYJKWIASA-N 385.424 -0.160 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@@H]21 960978562 PRPQMTLDNGGWPK-CBBWQLFWSA-N 384.454 -0.940 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@@H]1O 964476077 HALJFULLXFMRAZ-FSDCSDTHSA-N 389.456 -0.029 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)COC2CCOCC2)C[C@@H]1O 964490702 YWMLWTZYRKCOQY-DFGXFYAUSA-N 382.457 -0.149 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CN2CCCCC2=O)C1 968714741 DILCJRMZIIJNKJ-WCVJEAGWSA-N 379.457 -0.332 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3nn[nH]c3n2)C[C@H]1O 1023941949 IWCLLJXKIYHWNL-QOWREQOWSA-N 386.412 -0.364 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(CNC(C)=O)o2)C[C@H]1O 1025709592 RCHSBDAINGVLCI-FPCVCCKLSA-N 391.424 -0.192 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H]2OCCO[C@H]2C)C1 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380.489 -0.247 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c1cccs1)[C@H]1CCCO1 1329627000 SHBCHOQSZSDCDS-VXGBXAGGSA-N 385.467 -0.560 30 20 GBED C=CCn1c(C2CCN(CCO)CC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1340416053 ULHZDMCCRJLZRK-QGZVFWFLSA-N 392.504 -0.023 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)CC1 1342828450 BUERIACQQGOKTL-CVEARBPZSA-N 385.534 -0.098 30 20 GBED CN(CC(=O)NCC#N)[C@@H]1CCN(C(=O)C2CCN(Cc3cnn[nH]3)CC2)C1 1576762466 SEOIBQYVNRWCPW-MRXNPFEDSA-N 388.476 -0.811 30 20 GBED CN(C[C@H](O)CN(C)c1cncc(C#N)n1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1579030572 XABIUXOQYWXXTH-GFCCVEGCSA-N 382.388 -0.574 30 20 GBED N#Cc1c(F)cc(CNC(=O)Cn2cc(-c3nn[nH]n3)c(O)nc2=O)cc1F 1581861400 QPSNLGUIKQFIRH-UHFFFAOYSA-N 388.294 -0.405 30 20 GBED N#Cc1cc(C(=O)NCC2[C@@H]3CN(c4cnc(-c5nn[nH]n5)cn4)C[C@@H]23)c[nH]1 1581865635 MOJVJSBAKFMWKG-STQMWFEESA-N 376.384 -0.031 30 20 GBED C#CCNC(=O)[C@H](C)N1CC[C@@H](CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353135 HRZJSRLGGCKICW-QWHCGFSZSA-N 384.444 -0.226 30 20 GBED C=CCNC(=O)NC(=O)CNC1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1588658351 HHCYLTJYULSVIR-UHFFFAOYSA-N 387.404 -0.941 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)nn1 1602882246 DPRWYUBEUVDAKF-ZBFHGGJFSA-N 395.427 -0.381 30 20 GBED C#C[C@H]1COCCN1C(=O)C(=O)N1CC[C@@H](Oc2ccc(-c3nn[nH]n3)cn2)C1 1609020131 SBZIQFJILWITOW-UONOGXRCSA-N 397.395 -0.898 30 20 GBED COC(=O)[C@H]1C[C@@H](O)CN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1643934414 LCZYPFBOCIUBCJ-MPKXVKKWSA-N 381.410 -0.640 30 20 GBED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1782174726 BRQJXWFRKZZJEB-BDBYMAIGSA-N 398.485 -0.583 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncc[nH]3)C[C@@H]21 1783530374 VKFDDZHKCBFPRB-LSFZBXBFSA-N 387.440 -0.139 30 20 GBED Cc1ncc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)s1 1783567263 LJKCUVLGNDAWDS-QGZVFWFLSA-N 377.422 -0.088 30 20 GBED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1783681757 LVVVKRZHPBSLGH-IHRRRGAJSA-N 376.461 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GBED C[S@@](=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 735101714 GFTMQJAYKGVUEG-XMMPIXPASA-N 384.483 -0.047 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)O)c2ccc(OC)cc2)C1=O 736106735 JVIFQFVEQIQQKQ-CYBMUJFWSA-N 375.337 -0.086 30 20 GBED C=CCOCCCC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 742553968 SGXILDAEADBBNA-CQSZACIVSA-N 394.515 -0.370 30 20 GBED CCOC(=O)CON=C(C(=O)NC1(CCO)CCN(C)CC1)c1cc[nH]n1 772523871 LAZJODBAWYQCHN-UHFFFAOYSA-N 381.433 -0.344 30 20 GBED CCOC(=O)CON=C(C(=O)N1CC(n2cc([C@H](C)O)nn2)C1)c1cc[nH]n1 772539188 WYZIQFARBZHYBD-JTQLQIEISA-N 391.388 -0.578 30 20 GBED COCCOC[C@H]1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 787790421 MMTDVHVWMXXYNM-AWEZNQCLSA-N 375.429 -0.007 30 20 GBED O=C(O)C[C@@]1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCCOC1 823343125 PPNXGUXGHGCABW-INIZCTEOSA-N 381.410 -0.135 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N=C1C[C@@H](C)ON1 824885349 SDCHXFCWKHUIPZ-BDAKNGLRSA-N 379.402 -0.228 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C(=O)O)c(C)o2)c1=O 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379.417 -0.957 30 20 GBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1O 1024921437 FTKHHLZCSOZIHH-XZDPQHSOSA-N 389.408 -0.801 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccoc2CC(N)=O)C1 1025333188 ZGHHIGOBMAMNHG-CFAJVAMVSA-N 391.424 -0.410 30 20 GBED CN1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2C#N)S1(=O)=O 1055223431 FTZNKJGYPGKXQR-XWUBHJNHSA-N 376.442 -0.392 30 20 GBED CN1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2C#N)S1(=O)=O 1055461370 FTZNKJGYPGKXQR-MHDGFBEUSA-N 376.442 -0.392 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCc2nncn2C)C1 1070196427 XFCUGJGZSIRYMS-WCVJEAGWSA-N 386.460 -0.071 30 20 GBED NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(CC#Cc3cccc(Cl)c3)C[C@H]2O)O1 1077668886 XUQLAAZDRUHKNV-WCXIOVBPSA-N 391.855 -0.114 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CO)(NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 1081004414 BIVMBCGODAPZBL-QXSJWSMHSA-N 393.484 -0.229 30 20 GBED CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 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C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)OC)[C@H]2C1 1791475383 QJKHUFJKKBBRIV-QPSCCSFWSA-N 383.445 -0.087 30 20 GBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C3)c1 1799417713 HVEOUZNZYQEIOM-RNJOBUHISA-N 384.396 -0.264 30 20 GBED CN1N=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)CCC1=O 1801977397 BMCUFWZSEVCASG-YWVIFJGQSA-N 387.440 -0.122 30 20 GBED C[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2 1802290526 NVOSADIIJQSSMP-MMWGEVLESA-N 376.442 -0.012 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(CO)on1)CC2 1825670006 YULJKRGCEOMSNJ-MRVPVSSYSA-N 390.377 -0.063 30 20 GBED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831208224 JBEJGOFDWBMFBU-QRWLVFNGSA-N 391.468 -0.229 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831216375 NEBOSQZAGNBULY-FOIQADDNSA-N 389.452 -0.453 30 20 GBED CN(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1834940734 KYGJJOAHUYDUAR-DKLCPLSMSA-N 392.456 -0.284 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNC(=S)NC)CCO2 1837469136 LDCPSYKGTYTHHW-GOSISDBHSA-N 396.513 -0.660 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1839840351 DSHOVGIBWGWUFY-PXNSSMCTSA-N 395.500 -0.013 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1839871455 IOVIJDMPRPUNNP-KXBFYZLASA-N 377.441 -0.618 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1840166948 MRIDNWXPRDJNHM-GOSISDBHSA-N 375.429 -0.311 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]nnc4n3)C2)c1 1843235518 YGTBAEYWFJREMD-UHFFFAOYSA-N 393.367 -0.857 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=C\C(=O)NCC=C 1847260170 NAYQQLOHVISDDN-MFXSAKOXSA-N 386.452 -0.095 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2ccc(F)c(F)c2)CC1 113433448 YZNNPSNNKCUKJT-UHFFFAOYSA-N 392.406 -0.022 30 20 GBED CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 287680942 CJMCLVIXTGCSQL-UHFFFAOYSA-N 392.481 -0.247 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)c1 299556187 RKTCZSUCRXBWEV-CQSZACIVSA-N 375.406 -0.382 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)N2C[C@H](F)[C@H](F)C2)n1 349460188 GHJFCOCTYUBQOL-PHIMTYICSA-N 397.429 -0.255 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](Nc2ncccn2)C1 349461798 XEAIGDJOGXEZMT-LBPRGKRZSA-N 388.475 -0.874 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCSC2)nc1 349557791 ZSSQGJIZCLYBOP-GFCCVEGCSA-N 390.512 0.510 30 20 GBED C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2ccc(C#N)cn2)CO1 349581654 WCLBQTMEMNZFEO-DGCLKSJQSA-N 388.471 0.182 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@H](S(N)(=O)=O)C3)C2=O)cc1 409620189 HVGPDTAIBWKBQA-CABCVRRESA-N 391.453 -0.268 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(CCOC(C)C)CC2)C1=O 410882449 IBCQFQHIHOTTJG-INIZCTEOSA-N 380.489 -0.199 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccnn2CC(C)C)CC1 446736893 XJCXVNDSFQOCLC-UHFFFAOYSA-N 376.461 -0.076 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1=O 520445905 UJFFRMXWFRSPMM-IHRRRGAJSA-N 383.470 -0.733 30 20 GBED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N[C@H](C(=O)NC)c1ccccc1 569511039 BKALUBFGUXBUMR-ZDUSSCGKSA-N 393.425 -0.453 30 20 GBED C[S@](=O)C1(CNS(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)CC1 573816676 IWAFAXUWFRMGRX-QFIPXVFZSA-N 391.496 -0.322 30 20 GBED N#CC[C@]1(O)CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 591932726 CLYTZCNWAPZKGF-HNNXBMFYSA-N 397.413 -0.067 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCN([C@H]4CCOC4)CC3)CC2)nc1 595129598 DXNSVNLGSXDUTL-KRWDZBQOSA-N 398.467 -0.465 30 20 GBED N#CCCN1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 602207651 CASHAHIVSIEHCS-QGZVFWFLSA-N 377.489 -0.242 30 20 GBED N#C[C@]1(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCSC1 603885404 GPEPYRWUXMMKEH-MRXNPFEDSA-N 394.478 -0.064 30 20 GBED C#CCNC(=O)C1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 747816741 TXRAEDQJSHXJSL-UHFFFAOYSA-N 386.452 -0.372 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)n1ncc(-c2nn[nH]n2)c1N 820452137 ZYSVVPPGTKBERA-QMMMGPOBSA-N 387.385 -0.476 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@H](C(=O)OC)C2)cc1 840499803 IJOZNBZPBPRVOQ-HNNXBMFYSA-N 393.465 -0.225 30 20 GBED N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCS(=O)(=O)N2)[nH]1 996104963 XCRPYMNAYDKBAH-SAXRGWBVSA-N 377.426 -0.560 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn(CCN(C)C)n2)C1 1023955709 UHLUIABXSHEILE-DZUCGIPZSA-N 391.472 -0.663 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2nnc3n2CCOC3)C[C@@H]1O 1083847977 FUDVYIZXOYYBEQ-KRXQYRFLSA-N 391.472 -0.159 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)C1=O 1117963201 NIZBHYMNBKKLNI-HIFRSBDPSA-N 376.457 -0.251 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCN1CCCC1=O 1118365608 XUHPMQOMZDEIMQ-ZDUSSCGKSA-N 385.428 -0.876 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C[C@@H]1n1ccnn1 1129855420 KRCFHLOJKIHKHS-MLHJIOFPSA-N 393.451 -0.432 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCS(=O)(=O)C1 1248578477 GELGMDQPULIPJD-LLVKDONJSA-N 385.467 -0.334 30 20 GBED N#CCC1(CNC(=O)C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)CC1 1262136530 ZEVPRTUNKIMHHY-MRXNPFEDSA-N 377.489 -0.291 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCS(=O)(=O)CC1 1319195035 GQAJLLSAZBGYNH-LLVKDONJSA-N 385.467 -0.082 30 20 GBED CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCc1cccc(OCC#N)c1 1323495498 SRGJAGRCNGLDQI-CQSZACIVSA-N 394.453 -0.255 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1)[C@H]1CCCO1 1323819830 NRSGOXJALQRDPW-JKSUJKDBSA-N 397.497 -0.300 30 20 GBED COC(=O)N1CCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)CC1 1324838404 SJOGXCMYXGLGQV-UHFFFAOYSA-N 386.412 -0.488 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)NC)s1)[C@@H]1CCCO1 1325472953 DFKVSXKJQSYLRT-RYUDHWBXSA-N 385.467 -0.431 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1nncn1C 1359467418 RQJVOWXYORQDOV-QWRGUYRKSA-N 381.466 -0.339 30 20 GBED CN1CCN(C(C)(C)CNC(=O)NCCn2cc(C#N)c(O)nc2=O)CC1 1563599657 VIOKSBFYXFSIOQ-UHFFFAOYSA-N 377.449 -0.854 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[nH]n3)nn2)c1 1581863184 ZIJCTPWOMANZAK-NSHDSACASA-N 380.372 -0.508 30 20 GBED C#Cc1ccc(C(=O)NC[C@]2(O)CCN(c3ccc(-c4nn[nH]n4)nn3)C2)nc1 1588371657 PEOHZLOVKGRSLX-GOSISDBHSA-N 391.395 -0.596 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCC#CCN(C)C 1589974830 DIEDGABRYLXMFK-GFCCVEGCSA-N 391.457 -0.785 30 20 GBED CN(CCNC(=O)c1cc(C#N)cn1C)C(=O)c1cc(-c2nn[nH]n2)cn1C 1591099025 IJYKIGZUQZOSAJ-UHFFFAOYSA-N 381.400 -0.083 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cccn4cncc34)C2)C1 1778689035 WXZGQSLLDYYRBO-LJQANCHMSA-N 382.376 -0.134 30 20 GBED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)Cn1cnnn1)CCO2 1779137508 PPCGPUNTIBDLGH-MGABJAEBSA-N 387.400 -0.785 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](COC)NC(C)=O)C3)C2)C1 1779311349 PCNGDHNVBIOIJO-LPHOPBHVSA-N 379.457 -0.066 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)cc1 1780696174 MOWJAUVKSLEHME-OXJNMPFZSA-N 399.451 -0.405 30 20 GBED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781043564 QKFXAEJUUGMMBM-FECOBFBJSA-N 390.440 -0.749 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783982374 QEDZIWXFWJDWRB-TVQRCGJNSA-N 383.392 -0.187 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1784034917 GFAICLHBFDSEBZ-AVYPCKFXSA-N 393.484 -0.084 30 20 GBED CCC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785446360 GAXDPSNBXJSYKR-KSSFIOAISA-N 379.413 -0.791 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)N(C)C)[C@H]2C1 1786743519 VLBRZGCCUYXKKQ-AJNGGQMLSA-N 382.461 -0.145 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)ccc3O)[C@H]2C1 1790265290 OTRSMRFGFQYNTE-PJODQICGSA-N 388.376 -0.221 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C[C@@H]21 1790792759 QNCUXLBNKSNVHP-VGWMRTNUSA-N 380.397 -0.906 30 20 GBED CS(=O)(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1791768474 NSSOCKNQVXKHJM-JYJNAYRXSA-N 382.482 -0.186 30 20 GBED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]2C1 1791772125 SOMRTOGPYWGFDD-CYDGBPFRSA-N 378.516 -0.281 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@@H](N)C(N)=O 1796082787 IOYBIOAGUKMZPR-KHMAMNHCSA-N 380.489 -0.210 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)nc2cccnn12 1799189905 MGTDMKXWYLOQDK-CLLJXQQHSA-N 395.375 -0.571 30 20 GBED C=CCSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801731915 WJOQJAWPZBSNGP-MUJYYYPQSA-N 385.530 -0.170 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1 1802920245 LVUODQXQQMOBOS-ILXRZTDVSA-N 377.441 -0.029 30 20 GBED N#CCC(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1806286955 DQBOZVCQYPJUDS-VQIMIIECSA-N 389.456 -0.712 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1831401595 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N/C(CCO)=N\OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 274313566 BIEVULQCYUBFFX-UHFFFAOYSA-N 386.430 -0.683 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCC#Cc1ccccc1)C2 276061641 IRUWLRBXSKJKDA-UHFFFAOYSA-N 382.424 -0.290 30 20 GBED CNC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 277282491 SKUZFQNVOFCPBM-CVEARBPZSA-N 385.424 -0.184 30 20 GBED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@H](O)CC[C@H]2C1 349492027 KOBMGYWMSQZQRT-LJISPDSOSA-N 393.531 -0.123 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)ncc1C#N 349516630 KBWXBWJSNJYESO-ZDUSSCGKSA-N 388.471 -0.210 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)NCCN2CCNCC2)CC1 419865244 JPQGFIQSWZLURP-UHFFFAOYSA-N 388.447 -0.633 30 20 GBED CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 430464689 NROBVCTZWBQTIB-IBGZPJMESA-N 395.423 0.121 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCS(=O)(=O)CC3)CC2)o1 532980384 NGSWNIPIVQXZDH-UHFFFAOYSA-N 381.458 -0.376 30 20 GBED COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 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Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cn1C 726642104 SJUMPVIIUCCMKL-INIZCTEOSA-N 397.457 -0.251 30 20 GBED CN(CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)S(=O)(=O)c1ccccc1 731861785 NYNKZERTXOFAAV-MSUUIHNZSA-N 392.437 -0.050 30 20 GBED Cc1nn(C)c(N2CCOCC2)c1C=NNC(=S)NCCN1CCOCC1 755499921 UZHNKJHLKDFCEX-UHFFFAOYSA-N 395.533 -0.305 30 20 GBED C#CCN1CCC[C@H]1COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 756544039 TXBXLULDFVGLJM-UONOGXRCSA-N 381.454 -0.207 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1)c1cc[nH]n1 772231471 UBDVQSVJBBUBKS-GJZGRUSLSA-N 393.444 -0.249 30 20 GBED CCOC(=O)CON=C(C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)c1cc[nH]n1 832832352 YRWWMBHUHOIKEJ-ZIBATOQPSA-N 377.401 -0.194 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ncn(C)n1)[C@@H]1CCCO1 848963213 MKTSZYIIGUBWQT-NEPJUHHUSA-N 391.475 -0.953 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CN(C(C)=O)C1 960300002 QYDFEBFTVLZHIR-VSZNYVQBSA-N 391.468 -0.116 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2c(C)cc(C)nc2=O)C1 970113190 CAOQWANSZVINDG-WCVJEAGWSA-N 390.440 -0.861 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 970740849 XWKKNTGLEZXUHL-AEIGPULVSA-N 376.413 -0.937 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)Cn2nccn2)C1 990878001 SQTDCIHSUKSGMY-KBXIAJHMSA-N 386.416 -0.971 30 20 GBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2ncn(C)c2=O)c1 997943318 KYSRWSDQCNUSPH-PMPSAXMXSA-N 380.408 -0.480 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CCC1=O 1002542597 XKNZGVVAWYXUQJ-ZSAUSMIDSA-N 375.425 -0.025 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(OC)n(C)n2)C1 1024884523 UAICLIQOHOOPES-DCDXPUDHSA-N 378.429 -0.289 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(O)n2C)C1 1025013262 MWIGPVYOKLTSCE-MXYBEHONSA-N 378.429 -0.202 30 20 GBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 1070051915 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30 20 GBED C[C@H](C#N)C(=O)N1CC[C@@H](N2CCN(c3nccnc3-c3nn[nH]n3)CC2)C1 1602982119 OHLSDGCCFWYVHL-CHWSQXEVSA-N 382.432 -0.461 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cn1ccc(=O)n(C)c1=O 1609056415 IPNOQBANVFBFJB-UHFFFAOYSA-N 381.396 -0.058 30 20 GBED N#CC[C@]1(O)CCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)C1 1627463773 DRINYCIJAKHNRI-ZFWWWQNUSA-N 387.845 -0.144 30 20 GBED CNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1729723089 YZFQNCVPOYUQSE-ABAIWWIYSA-N 384.437 -0.242 30 20 GBED Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)no1 1779122440 CJSBGTFAJGGXEL-SFHVURJKSA-N 389.412 -0.154 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1781400382 LJJVLBWRXCBZRM-YOEHRIQHSA-N 378.433 -0.091 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782011271 SMHAOWIHTIFUQC-SPYBWZPUSA-N 376.409 -0.373 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1783113575 DAOZKNYSSPZTRT-SCLBCKFNSA-N 381.429 -0.429 30 20 GBED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C(F)(F)F 1783202976 QRTOLRGOWVFSHM-NHYWBVRUSA-N 392.378 -0.472 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc[n+]([O-])c3)C[C@@H]21 1784479183 ZNYHLTRKHVMPBH-DKIMLUQUSA-N 387.436 -0.048 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@@H]21 1791077688 DMLLRVMQRVNKMP-XFHWEBQZSA-N 376.409 -0.378 30 20 GBED CN[C@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2)C(=O)O 1815086496 MJRPHHFYNNLRFG-PSASIEDQSA-N 394.409 -0.794 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncon3)C2)C1 1831425717 DEQPOPRCTDHRTJ-SUMWQHHRSA-N 380.401 -0.269 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1C)CCO2 1833876215 ZBOSABLJOFZSRK-HXUWFJFHSA-N 387.436 -0.131 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncc[nH]4)C3)C2)c1 1838732451 SEJODKASWUASNZ-SFHVURJKSA-N 384.396 -0.007 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CC(=O)N1CCOCC1 268729797 NVJFRKBQEQXPBC-ZDUSSCGKSA-N 394.453 -0.458 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCN(C(C)(C)C(N)=O)CC1)c1cc[nH]n1 278070904 VUMYYWKXBORYLW-KGENOOAVSA-N 394.432 -0.898 30 20 GBED C=CCCOCCNC(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1 289410058 OLKAOWMKYCWSCI-UHFFFAOYSA-N 381.433 -0.431 30 20 GBED O=C1C[C@H](CN/C(O)=N/CCS(=O)(=O)N2CCSCC2)CN1C1CC1 329481410 DJJOOLMCMYDITA-GFCCVEGCSA-N 390.531 -0.121 30 20 GBED CN1CCN(S(=O)(=O)c2cccc(N=C(O)N3CC(=O)N(C)C3)c2)CC1 329671530 NFVXEXQAAXKTDL-UHFFFAOYSA-N 381.458 -0.100 30 20 GBED CN(C1(CO)CC1)S(=O)(=O)CCCS(=O)(=O)Nc1ncccc1C#N 349488058 YKKLACYZJDHSTF-UHFFFAOYSA-N 388.471 -0.128 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 437020434 KOSLLHGTBKWEEG-NVXWUHKLSA-N 391.472 0.251 30 20 GBED CCOC(=O)[C@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 469071752 QCCJDRIUMDWZQF-MEDUHNTESA-N 383.426 -0.345 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)c1=O 470827648 PEMAOOJMPCBBHI-UHFFFAOYSA-N 391.409 -0.504 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCCN2CCCC2=O)CCN1Cc1ccccc1 514871433 VJANKRXFXHEQFY-QGZVFWFLSA-N 383.452 -0.038 30 20 GBED COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 574801923 YFLZDBKHKKOYMO-AWEZNQCLSA-N 391.409 -0.540 30 20 GBED N#Cc1ccc(S(=O)(=O)CCN2CCN(C(=O)CN3CCCC3)CC2)nc1 582688520 CQAFMYWNQFCXIW-UHFFFAOYSA-N 391.497 -0.033 30 20 GBED CS(=O)(=O)N1CCC(CNCCS(=O)(=O)c2ccc(C#N)cn2)CC1 591728868 ISQILZPVUTXHTO-UHFFFAOYSA-N 386.499 -0.012 30 20 GBED COC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 594626229 CLJGVQLTORPGRB-VXGBXAGGSA-N 389.455 -0.741 30 20 GBED Cc1cc(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C#N)CO)c(C)c1 597749960 RJBJBXHDDRYPGP-ZNMIVQPWSA-N 381.454 -0.264 30 20 GBED CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 600047635 JFWKITJIIINKNF-UHFFFAOYSA-N 389.387 -0.167 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCC1(NS(C)(=O)=O)CCCCC1 619707330 QALICJTZVCFULZ-UHFFFAOYSA-N 396.535 -0.065 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Cc2c(C)nc3cc(O)nn3c2C)CC1 729533285 CMIMCOVTURKNGM-UHFFFAOYSA-N 384.440 -0.512 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccnn1-c1nc(C)cc(C)n1 760281005 JBCMOPHABDCPQS-UHFFFAOYSA-N 392.441 -0.065 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@H](C)c2ccccc2OC)CC1 761025447 UJLBTJUBDJWSTD-OAHLLOKOSA-N 394.497 -0.042 30 20 GBED C#C[C@H](C)NC(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CCC)c1N 775375609 RSYVGFIAJPJWOG-LBPRGKRZSA-N 393.444 -0.161 30 20 GBED C[C@H](CC(=O)O[C@H]1CCC(=O)NC1=O)/N=C1/NS(=O)(=O)c2ccccc21 798627986 QHICVBIOGGRZEM-KOLCDFICSA-N 379.394 -0.148 30 20 GBED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C1 809502179 IVJUIGPAFVKIPV-CQSZACIVSA-N 394.453 -0.277 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@H](C(=O)OCC)C3(COC3)C2)C1=O 839366863 MFUSVGJYTXDSIR-KGLIPLIRSA-N 393.440 -0.730 30 20 GBED COC(=O)N1CC(NS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1 848918262 UKTPVFJLFDYZTN-UHFFFAOYSA-N 388.427 -0.783 30 20 GBED C#Cc1ccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 896432561 WMOLGUVFSSBKIP-KRWDZBQOSA-N 389.477 -0.271 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@H](OC)C2)cn1 946781428 SSNOKZIFAUAYTP-YLFCFFPRSA-N 384.436 -0.257 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1CC 985514502 FMZRHDUURKZZGG-RQJABVFESA-N 378.429 -0.375 30 20 GBED Cn1c(O)ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2ccc(C#N)[nH]2)c1=O 1002091626 SHPKBJZKOUCBQN-HONMWMINSA-N 382.380 -0.139 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCCS(=O)(=O)C1 1109175590 RUTLUFXMFFOTHY-FZKCQIBNSA-N 381.498 -0.328 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCOc1cccnc1 1257605079 VNZYEDJLCPCYOZ-CQSZACIVSA-N 395.423 -0.024 30 20 GBED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N(C)C)CCOC1 1296663501 ISGNACFLHZSKFD-CXAGYDPISA-N 378.433 -0.253 30 20 GBED C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1322764119 VCTGQWHDYGPADU-LBPRGKRZSA-N 379.442 -0.849 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCc1cccc(C(=O)NC)c1 1323787961 OPHZFXVRPHCCDB-UHFFFAOYSA-N 381.454 -0.578 30 20 GBED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3CC[C@@H]4NC(=O)OC[C@H]4C3)C2)nc1 1325960888 VZBCXQGEERXDLV-KFWWJZLASA-N 399.407 -0.110 30 20 GBED CC(C)(CNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)CN1CCCC1 1346277206 OEWHMNXLDXJQMW-NXVVXOECSA-N 391.472 -0.133 30 20 GBED CCN(CCC#N)C(=O)CN1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1577909350 NHMFLLJABJZMDW-GFCCVEGCSA-N 385.432 -0.239 30 20 GBED C#CCNC(=O)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588354444 NBTSGOFTVWHFIA-HUUCEWRRSA-N 382.428 -0.377 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nc1 1588368043 PJZBQGTYORELRT-LLVKDONJSA-N 380.368 -0.908 30 20 GBED C=C[C@H](C(=O)OC)N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 1588468815 XOENBOVZTSYTIG-CQSZACIVSA-N 392.441 -0.099 30 20 GBED Cc1nc(S(=O)(=O)N2CCC(C(=O)N(CC#N)CCC(=O)O)CC2)cn1C 1607967755 CKWKOXSUGPNUCG-UHFFFAOYSA-N 397.457 -0.044 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1778781479 DXVLTWGXEOJXRP-SJCJKPOMSA-N 380.401 -0.815 30 20 GBED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(N)=O)C[C@@H]32)cc1 1783606823 FYHQMPMTTGNLNL-ULQDDVLXSA-N 399.451 -0.251 30 20 GBED COC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1784259884 MPBVCUZIJNGWMN-GOSISDBHSA-N 395.460 -0.546 30 20 GBED CCn1nc(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791075689 MVJZXDMFWXYNAL-DZKIICNBSA-N 388.424 -0.107 30 20 GBED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(O)O)C3)c(C#N)c1 1799237742 GUGPDGMAOYGPSZ-XOIINTDNSA-N 389.408 -0.990 30 20 GBED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)[C@H]1CCCS1(=O)=O 1800390004 SAGCJVPANKMYLA-JYYAWHABSA-N 380.466 -0.433 30 20 GBED C#CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CNC(=N)N)[nH]n1 1815197365 NMSSYMFRAIQISB-AAEUAGOBSA-N 375.433 -0.077 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(CC)COC3)C2)C1 1831402091 NKZKDQIRRMKPMG-OXQOHEQNSA-N 394.468 -0.092 30 20 GBED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1831670136 NUJJUEYALVUURO-HUUCEWRRSA-N 375.425 -0.027 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccnc4)CCO3)C2)c1 1834385734 AADFHFCUTJHLPR-LJQANCHMSA-N 398.423 -0.147 30 20 GBED NC(=O)[C@@H](N)CCC(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1842945561 DWRMLMZCYUJEKX-OABHHXFQSA-N 395.460 -0.688 30 20 GBED CN[C@H](CC(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1)C(=O)O 1844313989 JDMAJEMXGOOOFL-UMXKZIAQSA-N 376.413 -0.035 30 20 GBED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)CN(CCO)CCO)C2)c1 1846034240 RUBATEISHYEAKI-UHFFFAOYSA-N 386.452 -0.338 30 20 GBED N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)n1 21914963 HQPJSXWLZJEDFJ-UHFFFAOYSA-N 396.379 -0.039 30 20 GBED C=CCN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)[C@@H]1CCS(=O)(=O)C1 57238158 YEPABZKEGYPKCJ-CYBMUJFWSA-N 385.467 -0.314 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC3(CC2)[C@@H](OCC)C[C@H]3O)C1=O 266045575 UUTQKMPYVCVHCU-OLZOCXBDSA-N 379.413 -0.258 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@@H](O)COCCOC(C)C)C1=O 267147448 RBZVHEVUWWTDBZ-CYBMUJFWSA-N 385.417 -0.776 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCS(=O)(=O)C[C@H]1C 268865336 SRIBUVSUPVWCIM-VXGBXAGGSA-N 385.467 -0.129 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCN(c2ccccc2)CC1 287111857 XKSXVLOETHLNJG-ZCXUNETKSA-N 397.435 -0.022 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)CCO1 410132828 YLRKMQRHINMHQU-OAHLLOKOSA-N 382.417 -0.061 30 20 GBED N#C[C@H](c1ccccc1)N1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)CC1 501883824 CIZXJNFJBPKLNG-MRXNPFEDSA-N 398.510 -0.156 30 20 GBED CCN(CCOCCO)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 506424430 HXASGGLCMAAELP-UHFFFAOYSA-N 386.412 -0.006 30 20 GBED C[C@@H]1CCS(=O)(=O)CCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 517789961 NAOJVSLLRYVOEO-GFCCVEGCSA-N 385.467 -0.128 30 20 GBED N#CCNC(=O)CNC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F 564532439 BXNLEFXNNVISSQ-UHFFFAOYSA-N 378.332 -0.260 30 20 GBED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)c1 572735882 GVKKXTAZHYVRCM-XCVBADHISA-N 397.478 -0.122 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](n3cncn3)C2)cc1 594622802 VFLXNRJQQGLQOB-GFCCVEGCSA-N 396.454 -0.284 30 20 GBED C=C(C)CN(CC)C(=O)[C@@H](C)n1cc(CNC(=O)CN2CCNCC2)nn1 640924382 UUSZFFAGHWNCIK-OAHLLOKOSA-N 377.493 -0.215 30 20 GBED CNC(=O)CNC(=S)NN=Cc1cc(C)n(CCN2CCOCC2)c1C 731927778 SQWFKFJQACYXOF-UHFFFAOYSA-N 380.518 -0.019 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CC=CC[C@H]1C(=O)O[C@H](C)C(=O)NCC#C 754257072 DQTFVZRSFVTWGQ-FPCVCCKLSA-N 388.420 -0.069 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCC([C@H](O)C(=O)OC)CC1)c1cc[nH]n1 772435798 RQTPRYWYTUXOLT-HNNXBMFYSA-N 396.400 -0.534 30 20 GBED C[C@@H](O)c1cn(C2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 779567251 NATBAFSPRHRGBX-SNVBAGLBSA-N 390.425 -0.547 30 20 GBED C#CCNS(=O)(=O)N1CCN(CCOc2ccccc2C(=O)OC)CC1 782486084 GPWRTYADXNRNSV-UHFFFAOYSA-N 381.454 -0.063 30 20 GBED C#CCNC(=O)CN1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 784147534 KNYGKPWMQGYLOL-HNNXBMFYSA-N 376.413 -0.299 30 20 GBED COC(=O)CN(CCN1CCN(C)CC1)Cn1cc2c(c(C#N)c1=O)CCC2 799145222 NSLDUGDAHQDKQL-UHFFFAOYSA-N 387.484 -0.111 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OCC(=O)O)cc2)c1=O 833368508 PKBPSRVBWTXDHA-UHFFFAOYSA-N 397.412 -0.745 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CNC[C@@H]2C#N)cc1 834506778 VYMPZFIWYYEXFJ-SWLSCSKDSA-N 379.442 -0.507 30 20 GBED C#CCC[C@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 848942774 XASAMEXICGNAPC-STQMWFEESA-N 385.467 -0.070 30 20 GBED COC(=O)[C@@H]1[C@H]2CN(S(=O)(=O)c3ccccc3S(=O)(=O)NCC#N)C[C@H]21 848956337 PEZMJGMNMGZKLZ-YABSGUDNSA-N 399.450 -0.472 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 850605944 NKWJKPDRQZCZPE-GXTWGEPZSA-N 384.385 -0.296 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NS(=O)(=O)c1nnc(NC(C)=O)s1 850912031 ZOOKMJCBJICLDI-VIFPVBQESA-N 375.432 -0.228 30 20 GBED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccnn2CC2CC2)c1=O 853457719 HJYJMAQGNABEQP-UHFFFAOYSA-N 382.449 -0.369 30 20 GBED Cc1cc(C#N)cnc1C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 854831564 SPSCELBFKWFWHJ-UHFFFAOYSA-N 385.471 -0.008 30 20 GBED CSCC[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(N)=O 862715021 PCHUTGCWZZZTMU-NSHDSACASA-N 384.483 -0.162 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(C)nc2O)C[C@@H]1O 970707860 XLBZBUXLUIWLNY-OJLVUWQFSA-N 390.440 -0.379 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCCCC2=O)C1 1024553452 DILCJRMZIIJNKJ-FPCVCCKLSA-N 379.457 -0.332 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@H]1O 1025711986 CNTLELKOOAHZOF-FPCVCCKLSA-N 375.425 -0.483 30 20 GBED CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1C#N 1092898373 GJIGNIAVOQOQBD-DGFSRKRXSA-N 381.433 -0.023 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)Cc2ccccc21 1109761770 ABVJNQCXUJVFSY-VYDXJSESSA-N 381.436 -0.063 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NC 1109804116 CUPLDYUCNAEVTO-QPSCCSFWSA-N 379.461 -0.366 30 20 GBED CC(C)N(C)C(=O)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CC1 1111200023 DLUHCJMIZQPKDW-KFWWJZLASA-N 375.473 -0.005 30 20 GBED CN1CCN(C(C)(C)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1118280575 NTUOECJHFNZYLM-UHFFFAOYSA-N 393.513 -0.021 30 20 GBED N#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 1129004176 NEUWZTPWQYLDMQ-JJTUDDRGSA-N 383.456 -0.138 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@@H]1O 1220524147 NMCNBPQRACCEPA-XGUBFFRZSA-N 375.491 -0.980 30 20 GBED CN1CCC(N2CC[C@H](N(C)C(=O)CCn3cc(C#N)c(O)nc3=O)C2)CC1 1293253388 MXPIAXYAJDTTPQ-INIZCTEOSA-N 388.472 -0.162 30 20 GBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCC[C@@H](N3CCNCC3=O)C1)CC2 1325628739 UFEMAJNNTNIRIX-MRXNPFEDSA-N 381.436 -0.130 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 1330494829 DLHIXFPXGAVWFB-OAHLLOKOSA-N 399.513 -0.195 30 20 GBED C#Cc1ccc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)nc1 1338573672 HBNJHENMKJTSQU-HNNXBMFYSA-N 391.449 -0.449 30 20 GBED CN(CCNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)CC(F)(F)F 1341222356 OAXCIGREWBOBKA-VAWYXSNFSA-N 391.350 -0.761 30 20 GBED CN(C)S(=O)(=O)N1CCN(c2nnc(-c3cc(C#N)cn3C)n2C)CC1 1347534206 FRGIMJJDOJYXID-UHFFFAOYSA-N 378.462 -0.379 30 20 GBED C#CCO[C@H](C)C(=O)NC1CC2(CC(N=c3cc[nH]c(-c4nn[nH]n4)n3)C2)C1 1573289010 ZTFNRSJARDKPDL-AZTHMUBRSA-N 382.428 -0.044 30 20 GBED C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNCC)CC1 1574707439 SBPGCGSAXNAXHH-HNNXBMFYSA-N 380.518 -0.455 30 20 GBED C#Cc1ccc(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3cnn[nH]3)cn2)cn1 1575021821 KHMBPNXATBGOJU-HNNXBMFYSA-N 391.391 -0.236 30 20 GBED N#Cc1ccc(N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H](O)C2)nc1 1581871314 POONGCXHAYVIEE-JSGCOSHPSA-N 379.384 -0.169 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[nH]n2)cn1 1588403975 AVYSQHDWUHRATA-KBPBESRZSA-N 388.432 -0.378 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N(CC)CCN=c1cc[nH]c(-c2nn[nH]n2)n1 1588405265 NGDMSRMRVYXQKG-CYBMUJFWSA-N 387.448 -0.190 30 20 GBED N#Cc1cccnc1NCCNC(=O)N1CCN([C@]2(C(=O)O)CCOC2)CC1 1601128073 GYOGNKHODLBMTP-GOSISDBHSA-N 388.428 -0.064 30 20 GBED O=C(C#CC1CC1)N[C@@H]1COC2(C1)CN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 1606457250 NWXVGXCAMHARBJ-ZDUSSCGKSA-N 381.396 -0.292 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782963307 ZWCFMTBCVSUJQW-HUBLWGQQSA-N 376.500 -0.288 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3nonc3c1)CCO2 1783561764 KMRLXRSBHNHGPR-SFHVURJKSA-N 384.348 -0.246 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cn3ncccc3n1)CCO2 1783561919 PVRCWVXTRAAFQT-SFHVURJKSA-N 383.364 -0.739 30 20 GBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC)NC(C)=O)[C@H]2C1 1788778797 HFXIBOFJACWLHU-QAETUUGQSA-N 379.457 -0.469 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCO)[C@H]2C1 1789917600 KXQCAQBFEKWXQD-UGUYLWEFSA-N 385.461 -0.224 30 20 GBED Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c(O)n1 1791079075 ZSSVNDOLYMGWAA-QEJZJMRPSA-N 387.392 -0.223 30 20 GBED O=C(Cn1cncn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1795852009 APTBSAVDONYGLL-MOGAYQLZSA-N 386.412 -0.420 30 20 GBED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](O)NC(=O)OCC)C1 1797583000 HOYAUJOXQBSGAH-FQLMCAECSA-N 381.429 -0.393 30 20 GBED C[C@@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797783149 FWESICSPQODIIO-CUSZFKRNSA-N 377.485 -0.131 30 20 GBED CC(=O)O[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)C(C)C 1800777169 JCCYDQCZAKUUPE-DLTLXFJOSA-N 380.397 -0.748 30 20 GBED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(C)=O)C2 1801167028 MIYTWOYUYYEHGH-ZMMAXQRCSA-N 393.484 -0.079 30 20 GBED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1829847953 ADAABISFRUULBY-PXNSSMCTSA-N 391.468 -0.229 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)COC)CCO2)C1 1831618161 JJVQATCNSRNPKC-FCEWJHQRSA-N 382.457 -0.236 30 20 GBED Cn1cncc1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1834245965 AUUMCTGWKQSFMG-UHFFFAOYSA-N 387.440 -0.307 30 20 GBED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2 1835437506 HOYCBUNSGHOSOV-LJQANCHMSA-N 379.457 -0.275 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835850143 UIJGCRAJEKTXNS-ACJLOTCBSA-N 394.428 -0.224 30 20 GBED C[C@H](CC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1836912426 RFBVOZGLHXKHAH-CYBMUJFWSA-N 393.440 -0.416 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1837693421 QSHDLXVBYPQTAI-QRWLVFNGSA-N 389.452 -0.453 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCn4cncn4)CCO3)C2)CC1 1840356666 IHJLXDZXMMKZJP-SFHVURJKSA-N 388.428 -0.572 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)C[C@@H](NC)C(=O)O)C2 1841054368 QHVAECLGEDTBDV-CFHLNLSMSA-N 378.429 -0.889 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)CN1CCN(C)CC1)C2 1845188456 VLRCNIHWVGRDKE-UHFFFAOYSA-N 392.500 -0.053 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)NCCC)c1 16558137 ZYFRBENBEGJXOU-UHFFFAOYSA-N 381.410 -0.009 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3nc(CC)ns3)CC2)C1=O 266302759 JWVOJBRALMTVTJ-UHFFFAOYSA-N 392.441 -0.274 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2ncsc2=O)CC1 275168089 BTILJHFUVGYCSY-UHFFFAOYSA-N 393.450 -0.290 30 20 GBED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1 293206126 AVNYHTKFMHHJLK-UHFFFAOYSA-N 385.428 -0.011 30 20 GBED O=S1(=O)CC[C@H](/N=C(/O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 329583159 XLIGZKRYURVFFS-QWHCGFSZSA-N 395.503 -0.786 30 20 GBED C[C@@H]1c2nncn2CCN1S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 349459644 OEOMWDIUEYXRPL-LLVKDONJSA-N 388.475 -0.650 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C)C[C@@H]1C 349478530 SJWWNMUJGSZFGU-RYUDHWBXSA-N 380.492 -0.910 30 20 GBED C[C@H]1[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)CC[S@@]1=O 349485539 URLMPVDSHAXEIF-IDFMNXDXSA-N 385.533 -0.667 30 20 GBED CC(C)(CC#N)CNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 422488313 MYZJBYNBVVHRQQ-UHFFFAOYSA-N 379.461 -0.955 30 20 GBED C=CCn1cccc1C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 488365902 JVOAGZKIALTXQN-UHFFFAOYSA-N 381.502 -0.076 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)OCC)[C@@H]2CCCOC2)C1=O 511655090 UTLRGKQGMTZHNS-DGCLKSJQSA-N 381.385 -0.562 30 20 GBED COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 560053300 VAJJAYVUPLKNNN-UHFFFAOYSA-N 397.395 -0.239 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC2CCS(=O)(=O)CC2)cc1 562171279 YCWOUUCLSLNTFP-UHFFFAOYSA-N 385.467 -0.222 30 20 GBED CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)C#N)cc1 566487306 QEOPDMHGGLATPH-SNVBAGLBSA-N 388.471 -0.320 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC(C)C)c(=O)n1C 592445598 RJWTXEKRELJFIC-UHFFFAOYSA-N 389.481 -0.435 30 20 GBED COC(=O)CC[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 593616315 ZFPXJOAOIWIJEQ-RYUDHWBXSA-N 391.446 -0.291 30 20 GBED CN(CC(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CCS(=O)(=O)C1 604195854 VWEZTEFJNUNRNS-HNNXBMFYSA-N 377.470 -0.279 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)CC1 609458164 OVPQIAFDLDYFMD-GFCCVEGCSA-N 387.444 -0.013 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)CCO1 619710074 AVCVNHBKQUYUMK-HNNXBMFYSA-N 378.454 -0.025 30 20 GBED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CCO[C@@H](C#N)C2)CC1 730065974 DMVYOTPIQBCDEO-ZDUSSCGKSA-N 381.433 0.000 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 741211307 GYYLNAUWORZRBD-IBGZPJMESA-N 384.480 -0.219 30 20 GBED CCNS(=O)(=O)CCNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 756936285 GMDKTFBBNLVNOL-GFCCVEGCSA-N 381.462 -0.492 30 20 GBED COC(=O)c1cn(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nn1 757600989 UZPBSGQAHQTPMS-QWRGUYRKSA-N 378.389 -0.060 30 20 GBED C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(=O)NC1CC1 791188635 ZKAMKTGVRJFUOH-SNVBAGLBSA-N 394.409 -0.244 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2ccc(C(C)(C)O)cc2)c(=O)n(C)c1=O 807979493 UJRHRJGPKLPRNE-UHFFFAOYSA-N 380.426 -0.376 30 20 GBED N#Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1-c1nn[nH]n1 822830193 WRXRYHBDWBGAKS-QHSBEEBCSA-N 393.363 -0.161 30 20 GBED CCOC(=O)c1cnn(Cc2cc(O)n3ncc(C#N)c3n2)c1-c1nn[nH]n1 825571356 ZNEVWFCBTDGPRL-UHFFFAOYSA-N 380.328 -0.092 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCCN2C(=O)C(C)C)CC1 831556104 HPPSYUAQMLFUNF-HNNXBMFYSA-N 384.502 -0.365 30 20 GBED CCONC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 845551064 OVYYAISKQMQNAT-UHFFFAOYSA-N 395.441 -0.358 30 20 GBED C#CCN(CC)S(=O)(=O)CCCS(=O)(=O)Nc1nc2ncccn2n1 848959375 HGBOAGMBRQGEGY-UHFFFAOYSA-N 386.459 -0.459 30 20 GBED C#CCn1ccc(CN(CCOC)S(=O)(=O)CCCN2CCN(C)CC2)n1 867204852 RRNGFTGWPDXPDX-UHFFFAOYSA-N 397.545 -0.068 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCC[S@@](=O)C(C)(C)C)CC1 893073893 QPWXGCCHGKZZFU-HSZRJFAPSA-N 378.520 -0.672 30 20 GBED C=CCNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 912684782 CKAFTFKSXZYZFR-UHFFFAOYSA-N 381.410 -0.734 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3CCC(=O)NC3=O)[C@@H]2C1 975170262 KMWQMCHGLSVDIU-TUVASFSCSA-N 390.440 -0.421 30 20 GBED C#Cc1ccc(C(=O)N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@@]34COC[C@@H]3C4)C2)nc1 990884467 RTHMCBOSJVLHIX-FORWCCJISA-N 392.419 -0.127 30 20 GBED C=CCn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 1039753789 XNAZDUWSVKWJFP-VSSKYZSCSA-N 387.440 -0.419 30 20 GBED Cc1nc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2cn(CC(N)=O)nn2)ccc1C#N 1055044461 LMMBHGWMKSKNDK-IPYPFGDCSA-N 380.412 -0.122 30 20 GBED Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n(C)c1=O 1136149632 RKEZRBDSPWQXNH-UHFFFAOYSA-N 389.437 -0.258 30 20 GBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 1193866746 RQHLEVJYLVBWFK-WCXIOVBPSA-N 392.500 -0.369 30 20 GBED O=C(CN1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1)NC1CC1 1318480101 NCWATFPNSRDZHI-ISLYRVAYSA-N 375.429 -0.674 30 20 GBED N#Cc1cccc(CN2CCC(NC(=O)C(=O)N3C[C@@H](O)[C@@H](CO)C3)CC2)c1 1332842845 NEZNQDIBUJYOQM-SJLPKXTDSA-N 386.452 -0.550 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@@H](C)[C@@](C)(CO)C3)CC2)c1C#N 1333416876 NOOOWWXXWZZWMB-BFUOFWGJSA-N 388.472 -0.274 30 20 GBED C#CCN1CCCC[C@@H]1c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1C 1338528760 DSYSRLHJDLBHHP-MRXNPFEDSA-N 399.499 -0.098 30 20 GBED CO[C@H]1CN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C[C@H]1OC 1344948784 XIPAYBJALZAOKF-YUELXQCFSA-N 388.428 -0.742 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CC1 1345510585 NGKFMWNQOXBLLN-UHFFFAOYSA-N 375.429 -0.475 30 20 GBED C[C@H](C#N)C(=O)N1CCCC[C@H]1CN(C)C(=O)CC(=O)NCc1cnn[nH]1 1575175560 BKTBCRABMMPULS-OCCSQVGLSA-N 375.433 -0.190 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H](n3cc(C(=O)O)nn3)C2)CC1 1590949276 NGIDPPNHOOLJQE-ZBFHGGJFSA-N 389.460 -0.085 30 20 GBED Cn1nccc1[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O 1594588012 ARMDLYNUOXSGGF-ZDUSSCGKSA-N 377.382 -0.599 30 20 GBED CCN(CCC(=O)O)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 1596318749 UXOKBKUGIDMBRW-UHFFFAOYSA-N 375.428 -0.026 30 20 GBED C#CC1(O)CN(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 1602691036 QBXJAMVAPGCLGH-CQSZACIVSA-N 381.396 -0.643 30 20 GBED CS(=O)(=O)Cc1ccc(F)cc1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 1660634661 HJKQUJIXCVTMNG-AWEZNQCLSA-N 391.446 -0.071 30 20 GBED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778936161 XFYXFRGLKVMISU-GOSISDBHSA-N 378.429 -0.325 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783164453 ZOAMTSUDETWTAK-CKFHNAJUSA-N 379.457 -0.475 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1783166694 KDIZMGRIXOBYKV-RJAVNMKASA-N 392.456 -0.801 30 20 GBED Cc1noc(C)c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1785978727 IIPYSNUTWJOSCG-IHRRRGAJSA-N 375.381 -0.027 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C)[C@H]2C1 1786478206 YBAFMKLYXHXMLW-FCLICNRPSA-N 378.473 -0.614 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cnnn4)[C@H]3C2)c1 1787092431 SJELQKZIRQQCJZ-ULQDDVLXSA-N 395.423 -0.162 30 20 GBED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1788639759 JCACEWUAZXTYJZ-VGWMRTNUSA-N 395.412 -0.625 30 20 GBED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21)C(F)(F)F 1790882419 BBHRPTGCDNKUCX-SRVKXCTJSA-N 388.350 -0.229 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnn1)C2 1795599094 SQAOEQSCTSPYFW-MIFYACCESA-N 386.456 -0.038 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)[nH]1)C2 1797712069 PELGPDXSIPHWQK-XCCSTKFXSA-N 378.429 -0.108 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(C)=O 1800535684 WKJMKJIQVVJMEQ-JJAZEVLHSA-N 395.456 -0.390 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccno3)C2)C1 1831391515 PPIXTDVMOATNNL-KSSFIOAISA-N 377.397 -0.217 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1831424488 KLKLSLDCXOTOPR-JTDSTZFVSA-N 379.457 -0.438 30 20 GBED N#CCCC(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1834602551 BSHJDDSZRYJLSP-HNNXBMFYSA-N 377.445 -0.030 30 20 GBED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342596 XRFJVRLZUVSEHY-LIRRHRJNSA-N 392.456 -0.387 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835426602 GLXRTZDSSNCJMU-KDOFPFPSSA-N 383.445 -0.878 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836064739 AHGRYKQVRUQEMP-DYVFJYSZSA-N 382.486 -0.263 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1836477088 WBOTUZKMZARTKW-JTDSTZFVSA-N 377.441 -0.991 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc[nH]n4)C3)C2)c1 1838733149 PKWRQVBKDUTSGE-SFHVURJKSA-N 384.396 -0.007 30 20 GBED CC(=O)C[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840133044 SYDFUMZVFORQEQ-ACJLOTCBSA-N 380.397 -0.854 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCOC3)CCO2)C1 1840533140 PQRLESFKHTUKPC-JTDSTZFVSA-N 380.441 -0.482 30 20 GBED CCn1c(=O)/c(=C/c2ccc(C#N)o2)s/c1=C(/C#N)C(=O)N1CCOCC1 174554098 CBUZOTFWPFLJHA-SOUBVSJWSA-N 384.417 -0.244 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCNC(=O)c1ccn[nH]1 272503685 HUWXHJKPSLEPSL-GFCCVEGCSA-N 383.416 -0.279 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C)c1cc[nH]n1 278062885 VCFMKZNSCPJWCE-RYMPHZRMSA-N 386.430 -0.273 30 20 GBED C#CCOc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)NC)CC1 298039280 DAPLUFKTPOOPGN-UHFFFAOYSA-N 380.426 -0.755 30 20 GBED CS(=O)(=O)C[C@@H]1CCN(/C(O)=N/CCS(=O)(=O)N2CCSCC2)C1 330163354 ATFFDKSDGOZBLN-GFCCVEGCSA-N 399.560 -0.355 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C#N)C(C)(C)C)CC1=O 349487637 DCTBAYKJHYRZBB-LBPRGKRZSA-N 394.519 -0.662 30 20 GBED CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CN(C)C[C@@H]2C1 349495231 OIBBYYYSDZMYTR-ZNMIVQPWSA-N 392.547 -0.237 30 20 GBED CN(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)N1CCO[C@@H](C#N)C1 409492919 GRTYVKVDSRXHDT-LBPRGKRZSA-N 378.410 -0.316 30 20 GBED C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 423718794 LQKAMJJWFAGWSF-ZDUSSCGKSA-N 393.469 -0.803 30 20 GBED CN(C[C@H](O)CO)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 441738873 DSQBBASSMMSBQS-NSHDSACASA-N 377.788 0.147 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)CN(C)[C@H]3CCS(=O)(=O)C3)CC2)c1C#N 473100322 RGVLVYVSFXZYKD-AWEZNQCLSA-N 394.501 -0.632 30 20 GBED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CC[C@H](S(N)(=O)=O)C2)c1 476388086 CHMYMCWEHITCJT-GJZGRUSLSA-N 376.438 -0.061 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](CO)c1cnn(C)c1 481778396 KWFFSBHNJBBLDM-ABAIWWIYSA-N 377.426 -0.192 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1C1CC1 497554901 NDTJJNGUSMXHJW-UHFFFAOYSA-N 376.463 -0.033 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc(N2CCNC(=O)C2)ccn1 526059266 QBDXRKHJQRYZAV-UHFFFAOYSA-N 382.428 -0.100 30 20 GBED N#CC[C@]1(O)CCN(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C1 592148313 UBYKTSPPVLAGBU-INMHGKMJSA-N 385.486 -0.468 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H](C#N)CO)o1 597743959 KMBRSAZQRMTSEK-MNOVXSKESA-N 385.398 -0.390 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@]4(N)C3)CC2)c1C#N 598731822 MNGGBEINDMNHHG-IFXJQAMLSA-N 385.472 -0.411 30 20 GBED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H](O)COc1ccccc1C#N 599257931 RELQYYVIVXZDLQ-HZPDHXFCSA-N 395.481 -0.077 30 20 GBED C=C(C)COCCNC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)O)CC2=O)CC1 652653243 IEUYOGITBQJJGQ-ZDUSSCGKSA-N 381.429 -0.381 30 20 GBED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C#N)n(CC(N)=O)c1=O 727160739 JGPUXQBJEUMDAN-UHFFFAOYSA-N 399.388 -0.271 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1CC=C 743727692 CNKJXALCSQRBKT-UHFFFAOYSA-N 399.476 -0.256 30 20 GBED C#CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cnn(C)c2)c1=O 758077393 POUYJDBQJHOAFY-UHFFFAOYSA-N 390.428 -0.187 30 20 GBED COc1ncnc(N(C)C)c1NC(=O)C(=O)NCCNc1ncccc1C#N 775142792 ZFOSWAIKBDTZSC-UHFFFAOYSA-N 384.400 -0.015 30 20 GBED COCC[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(N)=O 775975677 JRGIKRCTIWGZAF-GFCCVEGCSA-N 382.442 -0.488 30 20 GBED O=C1CC[C@H](OC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C(=O)N1 798565341 VNFIOSIKWRAOBX-NSHDSACASA-N 379.394 -0.146 30 20 GBED C[C@H](CC(=O)NCCn1cnc(C#N)n1)/N=C1/NS(=O)(=O)c2ccccc21 803554130 ZVKIHMUNVPMFHH-LLVKDONJSA-N 387.425 -0.217 30 20 GBED O=C(C#CC1CC1)OCC(=O)N1CCN(C(=O)COC(=O)C#CC2CC2)CC1 838371072 ZWZVPXKQAMTQPM-UHFFFAOYSA-N 386.404 -0.430 30 20 GBED C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1nnc([C@@H]2CCCO2)o1 848964527 AUCJVWSSBWAUMP-MNOVXSKESA-N 392.459 -0.006 30 20 GBED C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1ncc(C(N)=O)s1 848965743 WNBDJPPQFKNEET-QMMMGPOBSA-N 380.473 -0.685 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)NCC(=O)OC)ccc1F 914658969 VIQKIKFREINFOB-UHFFFAOYSA-N 388.373 -0.264 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CN1C(=O)CNC1=O 977199252 VQXLEFAMMFKJTK-SYQHCUMBSA-N 378.429 -0.327 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 1021942682 KKCSYOMTRFYUOL-JJXSEGSLSA-N 377.441 -0.504 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nonc2C)C1 1025429082 PHSDGCIFAKELGT-CRNXPOROSA-N 378.429 -0.020 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCNC(=O)C1 1097879616 YOVSRZIXALVKGE-SUJAAXHWSA-N 376.457 -0.743 30 20 GBED COC(=O)CCS(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1118048899 SJESZEAPSKWJOS-GFCCVEGCSA-N 379.394 -0.080 30 20 GBED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CN2CCN(S(C)(=O)=O)CC2)cc1 1122415870 QUQKXRHTCLALHN-HNNXBMFYSA-N 394.453 -0.080 30 20 GBED C=CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1129103834 TVJRLBLEDWCHPZ-RNGZQALNSA-N 388.472 -0.263 30 20 GBED C#CCN1CCC[C@H]1c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1C 1262870121 BBWRYENAIYBJHN-HNNXBMFYSA-N 385.472 -0.488 30 20 GBED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(CCO)CC3)C2=O)cc1 1319391567 PRGATVQHRHXRFG-MRXNPFEDSA-N 385.424 -0.100 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)C1 1328444778 MAVJEPYDDBVBFL-SUMWQHHRSA-N 398.485 -0.816 30 20 GBED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1332355000 AMBNMVHPWHPEMI-IYOUNJFTSA-N 380.445 -0.747 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)NC[C@H](N2CCNCC2)C(F)(F)F)CC1 1333427837 YSIODTOAGUMKCB-ZDUSSCGKSA-N 392.422 -0.132 30 20 GBED C#CCO[C@H](C)C(=O)OCCN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 1346986255 BQGHLBSQNHAUGZ-CQSZACIVSA-N 376.413 -0.880 30 20 GBED CC(C)NS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1541713101 QVGIGPVSTNYGMV-ZIAGYGMSSA-N 398.489 -0.161 30 20 GBED C=CCC1(C(=O)NC[C@H](O)CN=c2cc[nH]cc2-c2nn[nH]n2)CCOCC1 1573326660 SUUJWPOUDGVJLW-CYBMUJFWSA-N 387.444 -0.055 30 20 GBED CC#CCCCC(=O)N[C@H]1CCN(C(=O)CCOCc2cnn[nH]2)C[C@H]1O 1575117145 GHZFIMFMLLTTNN-JKSUJKDBSA-N 377.445 -0.017 30 20 GBED N#Cc1ccc(N2CCOC[C@H]2CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 1581871559 ZNSVJHBJZUZHOA-GFCCVEGCSA-N 380.372 -0.508 30 20 GBED C#Cc1ccccc1CC(=O)N(C)C[C@H](O)CN=c1cc[nH]c(-c2nn[nH]n2)n1 1588375372 RNTNQAUOXVZSFB-OAHLLOKOSA-N 392.423 -0.466 30 20 GBED C=CCCO[C@@H](C)C(=O)NC[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCO1 1588608149 GIHLFUVYVRKGIB-STQMWFEESA-N 388.432 -0.041 30 20 GBED C=CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1588659981 UVOVCPAEVJCUCO-DGCLKSJQSA-N 388.432 -0.684 30 20 GBED CC#CC[C@H](CO)NC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588738481 PJOOTQKEFBFGOT-GFCCVEGCSA-N 378.414 -0.965 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@H](NC(=O)CSCC#N)[C@H](O)C2)n1 1591886370 DOIDUDWRCRSDMB-ZYHUDNBSSA-N 389.445 -0.722 30 20 GBED C=CCCN1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1602841135 OLKMACQLBQORMX-UONOGXRCSA-N 391.457 -0.306 30 20 GBED Cc1cccc(C#N)c1S(=O)(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)O 1607838824 VTFARMXWURNGKB-RYUDHWBXSA-N 392.393 -0.365 30 20 GBED O=C1CC(C(=O)N2CC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)=NN1 1778937661 ISIMUSCSIRFNEJ-FQEVSTJZSA-N 380.404 -0.256 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=S)NCC)C2)C1 1782640452 REULCZPJXOTQSG-KSSFIOAISA-N 398.529 -0.109 30 20 GBED Cc1nnc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)s1 1783562232 JPYPOUMLOOUKDC-MRXNPFEDSA-N 378.410 -0.693 30 20 GBED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790911597 HDEXFTYEYNBGGS-OWSLCNJRSA-N 397.516 -0.535 30 20 GBED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2C1 1791396528 CEIDRWNHONJWDT-CYDGBPFRSA-N 381.454 -0.791 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)NCCC)C2 1793340370 UHYCNRHAUONHDD-OAFZBRQQSA-N 393.484 -0.079 30 20 GBED CC(=O)N(C)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1793747847 GRYCKDVDNMKMAT-JLVBRIDZSA-N 387.440 -0.042 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2 1795598700 XPMHEQJLTIZQLN-MIFYACCESA-N 389.460 -0.850 30 20 GBED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cc(O)n[nH]1 1795692870 OLHRKLGNVFFHQE-WKHJEXAOSA-N 390.444 -0.210 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccncn1 1796517978 VFUBJIHRURWNEE-BEXDMUFCSA-N 385.424 -0.462 30 20 GBED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H](O)C1)C2 1797812014 JVQKPUNFVINMCP-OAAFXVIBSA-N 395.456 -0.124 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)C=C 1797940196 SRRDFCGFBSHYAO-JGFGOLAASA-N 379.457 -0.142 30 20 GBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1800987557 UEISCEPTAFPUQP-UJPOAAIJSA-N 376.500 -0.529 30 20 GBED N#CC1(C(=O)N2CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@@H]2c2cccnc2)CC1 1807190643 HJABQNGMGQUWJH-INMHGKMJSA-N 398.467 -0.016 30 20 GBED C[C@H](S)C(=O)N[C@@H]1CCc2nc(NC(=O)CC[C@@H](N)C(N)=O)sc2C1 1815067502 BJZJWWDBGBOXOH-DJLDLDEBSA-N 385.515 -0.034 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1839809061 OUJFLQXVOHLFJP-HXUWFJFHSA-N 398.419 -0.018 30 20 GBED CC1(C)CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840226003 BKXCNIDLHWNMJG-LJQANCHMSA-N 378.425 -0.033 30 20 GBED CN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)Cc1ccc(C#N)cc1 46054188 MTKQRWRCRCFANQ-UHFFFAOYSA-N 399.495 -0.007 30 20 GBED CCNS(=O)(=O)[C@@H]1CCN(/C(=N\C2CC2)NC[C@H]2CCS(=O)(=O)C2)C1 262329836 ASOIXWAGAFZROP-TZMCWYRMSA-N 392.547 -0.457 30 20 GBED COC(=O)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 268757969 YOBIXLGUMHXZJI-ZWNOBZJWSA-N 397.409 -0.554 30 20 GBED COCCS(=O)(=O)CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 277838281 MSKHTHUDFVVZEG-HNNXBMFYSA-N 379.438 -0.163 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](S(C)(=O)=O)C1 282320506 CPFCHUFIJCYJDV-SMDDNHRTSA-N 385.467 -0.129 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCn2cc(Br)cn2)C1=O 286335400 GMRBGPLSHISSAD-UHFFFAOYSA-N 384.190 -0.261 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1C[C@H](C)S(=O)(=O)[C@H](C)C1)c1cc[nH]n1 292602937 WTQUQSUMRMGKJU-OLSHCIOGSA-N 386.430 -0.273 30 20 GBED COCc1nc2n(n1)C[C@H](/N=C(/O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)CC2 329481553 PRAPGGKHUPZTQL-NWDGAFQWSA-N 386.478 -0.381 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 330391331 HOJUPUBUWZDORO-IFXJQAMLSA-N 391.472 -0.277 30 20 GBED C#CCCCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 378137052 DFEZEOMPQWQWRY-OKILXGFUSA-N 375.429 -0.013 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409483149 IGOVHNNDFMGNKJ-ZQDZILKHSA-N 396.469 -0.510 30 20 GBED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424441068 SLVNWPJVDNLINS-NSHDSACASA-N 396.425 -0.237 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3N)CC2)nn1 424551927 XABMCHZSYUPSJK-HZPDHXFCSA-N 376.461 -0.175 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3N)CC2)nn1 424551928 XABMCHZSYUPSJK-JKSUJKDBSA-N 376.461 -0.175 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCC(=O)N(C)C1=O 425093735 SMNIHSOEPYCIPA-GXFFZTMASA-N 378.410 -0.511 30 20 GBED CN1CCN(C(=O)c2cc(NC(=O)NCCn3cnc(C#N)n3)ccn2)CC1 480739576 XKZWYYFRNANPGB-UHFFFAOYSA-N 383.416 -0.246 30 20 GBED C=CCN1CC[C@H](N(C)CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)C1=O 500009982 FKUAGZKMRWTFIU-CABCVRRESA-N 387.502 -0.633 30 20 GBED N#CC1(NS(=O)(=O)c2ccccc2S(=O)(=O)NC2(C(N)=O)CC2)CC1 515500700 YBXCSAVIMWOOBO-UHFFFAOYSA-N 384.439 -0.683 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CN(C)S(=O)(=O)c1cccnc1 537153476 HMQVDUTVDDWFEE-UHFFFAOYSA-N 391.457 -0.030 30 20 GBED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1 550592454 XACQZWXBBZLDRQ-AWEZNQCLSA-N 383.452 -0.014 30 20 GBED CC(C)N1CC[C@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1=O 554194538 NOBGLLVJMLLHSS-ZDUSSCGKSA-N 375.433 -0.620 30 20 GBED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NCC(=O)N1CCNCC1 570619604 UAFJWJAHBYYTAX-IRXDYDNUSA-N 383.452 -0.167 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1 573695152 CVHDYEUTFLXWSJ-KGLIPLIRSA-N 376.438 -0.097 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)C3CC3)CC2)c1 575154592 TYUUVKMWBJXITI-UHFFFAOYSA-N 376.438 -0.083 30 20 GBED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C(=O)OC)C1 593758697 NZBLDOCIMUSFPZ-TUAOUCFPSA-N 387.462 -0.159 30 20 GBED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2nc(C(N)=O)cs2)CC1 595127301 JUNLHMUMZDAUBN-UHFFFAOYSA-N 399.436 -0.526 30 20 GBED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)cn1 595240570 HWWLYYFBPCQRIU-KZULUSFZSA-N 396.363 -0.363 30 20 GBED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CC(N)=O 608911904 VTTKHYOXSMOOEM-UHFFFAOYSA-N 390.490 -0.124 30 20 GBED C[C@@H](C#N)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611643476 PSGOEVRDSZWLLL-GVXVVHGQSA-N 382.398 -0.005 30 20 GBED C#CCNCC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 727238711 QXEGXTQLWDPUQC-UHFFFAOYSA-N 380.426 -0.041 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 728759160 VRGUGUMCHMFWCT-UHFFFAOYSA-N 387.396 -0.265 30 20 GBED C=CCOCC(=O)OCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 729765982 WVFBPRNVFRBVTO-ZIAGYGMSSA-N 375.443 -0.073 30 20 GBED N#CCCCS(=O)(=O)NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 776115950 BBTNVVSJUMXBTJ-UHFFFAOYSA-N 394.457 -0.345 30 20 GBED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]1CS(N)(=O)=O 784819359 RMHUNZAFOOIVQW-NSHDSACASA-N 384.389 -0.054 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 798325371 UQLHNANKLWFINM-UHFFFAOYSA-N 398.872 -0.505 30 20 GBED CC(C)(C)OC(=O)N1CCN(CCCNC(=O)NCC(=O)NCC#N)CC1 805180550 LHVMMWOBVPJQIV-UHFFFAOYSA-N 382.465 -0.132 30 20 GBED N#C[C@H](c1cccs1)N1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 826379758 AKVPYHSPQKCEJC-LLVKDONJSA-N 384.429 -0.071 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCNC(=O)[C@@H]1CC(=O)O 827756374 ZMRCGHUCQRAWBL-MFKMUULPSA-N 394.409 -0.973 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)NC1CCC2(CC1)OCCO2 848966851 DSTOUXZHPGJECQ-UHFFFAOYSA-N 395.503 -0.233 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2COc3ccccc32)CC1 894902241 XTGNOUSFXOVJAS-AWEZNQCLSA-N 378.454 -0.043 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)CN1CCNC(=O)C1 983960202 URUOXFVXQIJXIB-TWMKSMIVSA-N 392.500 -0.247 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCOCCNC(C)=O)nn1 1109813007 ZXZILYLJIFQWQO-VYDXJSESSA-N 376.461 -0.048 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)NC(C)(C)C1=O 1110062178 INECSRVFUOPLJL-AGIUHOORSA-N 377.445 -0.660 30 20 GBED N#CCNC(=O)CNC[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C2 1112530345 PMMDBNLRDZCSRG-QZNHQWIBSA-N 375.473 -0.254 30 20 GBED N#CCOc1ccc(CC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1116027443 DLTZWSWQHCYUHS-AWEZNQCLSA-N 379.438 -0.059 30 20 GBED CN1CCN(CCNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1116911805 VKEUKJGESJZTJI-NXVVXOECSA-N 378.477 -0.162 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCO[C@H](C(F)F)C1 1119071414 LNYZJVVLTUIVJL-AAEUAGOBSA-N 394.382 -0.122 30 20 GBED CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)NCc2cc(C#N)ccc2F)C1 1119663249 TVBXXURCYAHFHA-CYBMUJFWSA-N 382.417 -0.146 30 20 GBED C=CCn1c(CC(C)(C)O)nnc1N1CCN(CC(=O)NCCOC)CC1 1121588055 ZYKQGCOUEQQBJB-UHFFFAOYSA-N 380.493 -0.338 30 20 GBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)[C@H](OC)C1 1212293593 YQIYZWZZGNJUFC-MTNOOBJLSA-N 386.452 -0.276 30 20 GBED C#CCCN1CCC(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 1252256243 MMYBTDVMSOLSOB-HOCLYGCPSA-N 381.498 -0.374 30 20 GBED Cn1cc(N2CC[C@H](NC(=O)C(=O)NCCNc3ncccc3C#N)C2)cn1 1257059275 GZMMCWUHAZFCEB-AWEZNQCLSA-N 382.428 -0.390 30 20 GBED CCCN(C)C(=O)[C@H]1CSCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1292553206 RZSKVEKHIMOLLI-GFCCVEGCSA-N 379.442 -0.019 30 20 GBED N#CC1CCN(C(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 1321478896 ZVZAMYDZUZRLII-UHFFFAOYSA-N 397.435 -0.363 30 20 GBED C[C@H](NC(=O)C(=O)N1CCO[C@@H](C#N)C1)c1cccc(S(=O)(=O)N(C)C)c1 1322678485 SRLXUTXUQAEHLG-JSGCOSHPSA-N 394.453 -0.135 30 20 GBED C[C@@H](NC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O)C(=O)N(C)C 1327552815 WDCZVYNDPHJVLJ-CYBMUJFWSA-N 375.429 -0.855 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCc1ccn(C)n1 1329581573 LGPDCLVXWIZFAT-ZDUSSCGKSA-N 382.428 -0.522 30 20 GBED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 1330146188 VAQRDAPDHXFFOC-UHFFFAOYSA-N 391.453 -0.602 30 20 GBED Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2=O)n1 1330411356 VZBUSZNXOVDQKN-HUUCEWRRSA-N 399.455 -0.770 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CCO1 1330935213 PVAQCAAHWLQQLF-QGZVFWFLSA-N 399.451 -0.802 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 1332476780 LBMCCQSRZSHJEH-ZDUSSCGKSA-N 376.479 -0.966 30 20 GBED CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 1342750035 QMAHWZLUYUNDKH-UKRRQHHQSA-N 376.438 -0.188 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCC(OCCN3CCCC3)CC2)C1 1349343143 MMSDUDANSCVLPT-IBGZPJMESA-N 378.473 -0.033 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccccc2)C1 1356153315 KFAAUGAROKNTEX-MRXNPFEDSA-N 382.417 -0.314 30 20 GBED CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)CN(C)S(C)(=O)=O)cc1 1516655703 AYUYNOOFANOZAT-ZDUSSCGKSA-N 380.426 -0.073 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC1(S(N)(=O)=O)CCC1 1571293811 SIOFRLWIZHUDJQ-CYBMUJFWSA-N 389.441 -0.124 30 20 GBED C#Cc1ccccc1CC(=O)NC[C@H](CO)Nc1cnc(-c2nn[nH]n2)cn1 1573289814 DGOSJQVLKDUAKN-CQSZACIVSA-N 378.396 -0.230 30 20 GBED C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1 1574921244 VOFKTJGAGJFGHN-CRWXNKLISA-N 384.506 -0.113 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2CCCN2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1574935930 DPYAIPODAGAZNE-ILXRZTDVSA-N 387.488 -0.033 30 20 GBED C[C@@H](C#N)C(=O)N(C)C[C@H](O)CNC(=O)C1(Cc2cnn[nH]2)CCOCC1 1575177861 MQICRNICLUJYAQ-GXTWGEPZSA-N 378.433 -0.761 30 20 GBED C#CC[C@H](COC)NC(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 1588330802 FGBKPDQYMMABGT-CYBMUJFWSA-N 398.427 -0.935 30 20 GBED C=CCCO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588609247 VUEGYEUHGPYAKI-ZLKJLUDKSA-N 389.416 -0.523 30 20 GBED C=CCn1cc(C(=O)NC[C@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 1588713458 LPIPZOMTCVIBOB-SNVBAGLBSA-N 384.404 -0.232 30 20 GBED Cn1c(N2CCC(C#N)(c3ccccn3)CC2)c(-c2nn[nH]n2)c(=O)n(C)c1=O 1609476599 MUZXHQNPEVZKBX-UHFFFAOYSA-N 393.411 -0.279 30 20 GBED N#CC1(CNC(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CCC1 1609494231 ZOJSVXXQOCEVNK-UHFFFAOYSA-N 375.414 -0.045 30 20 GBED CCCC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779255778 JZWZGHKHIJXGPO-SCLBCKFNSA-N 379.413 -0.791 30 20 GBED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783155973 AQFNASAXDQXHQX-KXBFYZLASA-N 379.457 -0.065 30 20 GBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)COCCOCCOCCOC)C2)C1 1783686248 JNBTUTRGFPEHCB-IBGZPJMESA-N 398.456 -0.854 30 20 GBED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3nc4ncccn4n3)CCO2)C1 1783895595 YAZSSQSSSFNZRS-BZNIZROVSA-N 376.442 -0.114 30 20 GBED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2 1784194645 CLPCIGXCGIGRNM-IBGZPJMESA-N 390.440 -0.438 30 20 GBED CC(=O)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)n[nH]1 1791074396 YYHDHJASWWOPKM-HUBLWGQQSA-N 388.380 -0.706 30 20 GBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C(C)=O)CC1)C2 1801000023 AMBDQNHPIAXXON-HGKCTWBKSA-N 378.473 -0.684 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC1(O)CCC1 1801581474 QDUJDOPWJIRCEU-KQLJBOCNSA-N 391.468 -0.261 30 20 GBED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cc(O)n[nH]3)CC2)CC1 1837904113 UVZWJDKIOHRPQG-UHFFFAOYSA-N 390.396 -0.185 30 20 GBED Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)no1 1840159193 YQOVFHUQWBVVNX-BDJLRTHQSA-N 384.458 -0.305 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1840843136 WXZWSZDWQFAWNM-HXUWFJFHSA-N 387.436 -0.131 30 20 GBED CN(C)C(=O)NCC(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842918724 RCNTVEQNVBEXEU-UHFFFAOYSA-N 378.477 -0.257 30 20 GBED C[C@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 52716351 QAJKMVZDJUEOID-GFCCVEGCSA-N 397.457 -0.555 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccccc2)CC1 108518273 JXYUMACLNREKQW-HNNXBMFYSA-N 394.497 -0.200 30 20 GBED Cn1cnn(CC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1=O 179417312 YVFNWWQCGIJFAV-UHFFFAOYSA-N 380.412 -0.030 30 20 GBED N#Cc1cc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)ccc1F 263998548 CRVULZHIIYEBTJ-UHFFFAOYSA-N 387.371 -0.415 30 20 GBED C[C@H](N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)Nc1ccccc1C#N 265430903 FQXLJIQCAYPTKD-IAOVAPTHSA-N 392.481 -0.027 30 20 GBED N#Cc1ccc(CS(=O)(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 272979574 CXFWEVCCJWDQNF-UHFFFAOYSA-N 392.481 -0.136 30 20 GBED N/C(=N\OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1CCCO1 284092465 KYJYRWMYOMJWIN-OAHLLOKOSA-N 396.469 -0.013 30 20 GBED C#CCNc1nc(N2C[C@@H]3CN(C)C[C@@H]3C2)nc(N2C[C@@H]3CN(C)C[C@@H]3C2)n1 287825279 QOJSLSUZMULDAR-WNKDZCFJSA-N 382.516 -0.088 30 20 GBED CCN1CCC(/N=C(/O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 329690011 CXAGGDUTLLHVOM-UHFFFAOYSA-N 379.465 -0.653 30 20 GBED O=S(=O)(N1CCOCC1)N1CCN(/C(O)=N/CCc2ccncc2)CC1 330006929 FOTHHXNPRUFSEB-UHFFFAOYSA-N 383.474 -0.267 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)NCc1ccon1 348392739 UTBXXMCNNMCDBE-GFCCVEGCSA-N 394.500 -0.245 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)ncc1C#N 349569491 HSLRTWHLEIDVNE-ZDUSSCGKSA-N 388.471 0.102 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)CCO1 409495852 ZGHZEOOJCKVXQS-KURKYZTESA-N 394.497 -0.072 30 20 GBED CCOCCCN(C[C@H](C)C(=O)OC)S(=O)(=O)N1CCO[C@@H](C#N)C1 410161959 NMTBGXQUXAJWIT-KBPBESRZSA-N 377.463 -0.007 30 20 GBED CNC(=O)N[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 410666175 YILYEHNGCYXOLQ-UONOGXRCSA-N 386.412 -0.537 30 20 GBED CC(C)(N)CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 420084983 YTYSYKLZYGRWCS-UHFFFAOYSA-N 393.469 -0.755 30 20 GBED C=CCNc1ncc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)s1 433086908 GOHPQDUFODIOPY-UHFFFAOYSA-N 391.453 0.174 30 20 GBED COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)C2)nn1 442491334 XODGADOBJLDWMX-UHFFFAOYSA-N 386.372 -0.264 30 20 GBED CC(C)CS(=O)(=O)N1CCC(NC(=O)NCCn2cnc(C#N)n2)CC1 553966476 KLTSMKPSBHQYQM-UHFFFAOYSA-N 383.478 -0.101 30 20 GBED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC(O)C1 563783638 LOWASSNGCFJSBS-UHFFFAOYSA-N 392.481 -0.154 30 20 GBED CCC[C@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1 565229090 OSQZNZNOZFCUIL-WDEREUQCSA-N 388.471 -0.191 30 20 GBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCC(N3C[C@@H](C(=O)O)CC3=O)CC2)C1 593770476 RNRZSKXYAOFHRU-GTNSWQLSSA-N 380.376 -0.625 30 20 GBED CNC(=O)CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 594597709 QXNFQNIQDBSFIH-UHFFFAOYSA-N 386.455 -0.612 30 20 GBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H](O)COc1ccccc1C#N 599313882 PXAIHRUEUGVQTG-CABCVRRESA-N 381.454 -0.467 30 20 GBED COC(=O)CCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 599476066 JGBOBARQHXLKEL-UHFFFAOYSA-N 384.370 -0.186 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)Nc2cccc(C(=O)NCC)c2)CC1 728572880 OMHYNPPEWGZREF-UHFFFAOYSA-N 385.468 -0.258 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)Oc2ccc(-c3nn[nH]n3)cc2)CC1 735382283 XKAHRBRIWNTJLF-CQSZACIVSA-N 397.439 -0.472 30 20 GBED CNCCCc1[nH]nc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1C#N 760307997 RRMWWQKWUVUAFK-UHFFFAOYSA-N 389.441 -0.131 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2cc(=O)n3cccc(C)c3n2)CC1 761030435 HTFAFODWXUCMDG-UHFFFAOYSA-N 375.454 -0.412 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NCCc2ccccc2C)CC1 761036305 CXEZPDMQTJNZBO-UHFFFAOYSA-N 378.498 -0.261 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC1(C(=O)O)CCOCC1 762185578 UHFUSHDGVKAGEU-UHFFFAOYSA-N 381.410 -0.277 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2)CC1 831556632 RKPOVVFLWCRLIA-ZDUSSCGKSA-N 396.435 -0.128 30 20 GBED COc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cc1S(=O)(=O)N1CCOCC1 834511545 MDVWHHMMKBHQHH-UONOGXRCSA-N 394.453 -0.443 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCC[S@@](C)=O)cc1 848941096 CUKOQWIPJHQVMS-KPWVOAKYSA-N 393.512 -0.076 30 20 GBED C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1cnsn1 848962463 YDIPNUREPFECOP-ZJUUUORDSA-N 382.489 -0.067 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 850725253 FNEZORLLJHZLLC-UHFFFAOYSA-N 391.428 -0.821 30 20 GBED N#C[C@@H]1CN(C(=O)COc2nsnc2N2CCOCC2)CCN1C1CC1 874461310 WGCDPAOTSRIBAU-CYBMUJFWSA-N 378.458 -0.048 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3nnc(O)nc3O)[C@@H]2C1 1022256689 OBBVDLAUFVOPHS-LOWDOPEQSA-N 389.412 -0.063 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c(C)ncnc2O)C[C@H]1O 1023961698 IHNRXQDUFJSGEQ-SYQHCUMBSA-N 376.413 -0.227 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN(C)S(C)(=O)=O)n1 1092923104 CJXZIOBIQQFTHR-RDBSUJKOSA-N 378.458 -0.226 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1coc(S(N)(=O)=O)c1 1110732419 CQZHDRYXWPZCTM-UPJWGTAASA-N 380.426 -0.989 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@]1(C)CNC(=O)C1 1110841053 OHAMNQCZUUBLQA-CUYVQJCZSA-N 375.473 -0.004 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NC 1111106975 CUPLDYUCNAEVTO-TUVASFSCSA-N 379.461 -0.366 30 20 GBED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@]1(O)CCS(=O)(=O)C1 1158214160 JOXYEKJQRHSXGE-KRWDZBQOSA-N 391.453 -0.184 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN(CC(N)=O)C3CCOCC3)CC2)o1 1197385540 VAPFHQSYEMFFRI-UHFFFAOYSA-N 390.444 -0.530 30 20 GBED COC(=O)CN(C)CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1319585279 HKCCAMAXQSINFW-UHFFFAOYSA-N 382.442 -0.287 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C)nn1-c1ncccn1 1320412493 HHJSWAUDHIBINM-UHFFFAOYSA-N 378.414 -0.374 30 20 GBED CCCN1CC[C@H](CNC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1322961644 IOBHZKYCSBUKKI-UWZWCOGJSA-N 377.445 -0.523 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCC(=O)NCC3CC3)C2=O)cc1 1323344394 WULAABCZOJNBIH-INIZCTEOSA-N 397.435 -0.582 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCCn2cc(CO)nn2)cc1 1325939190 RNVMVNNXMBFVOM-UHFFFAOYSA-N 377.426 -0.237 30 20 GBED CN(CCNC(=O)C(=O)N1CC[C@@](F)(C#N)C1)S(=O)(=O)c1cccs1 1327323421 RXUXYCDFASIPKU-CQSZACIVSA-N 388.446 -0.051 30 20 GBED CN1CCN(C2CCN(C(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)CC1 1332006107 GAXCMRHWOVPZAF-SFHVURJKSA-N 388.516 -0.576 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@@H](C)[C@](C)(CO)C3)CC2)c1C#N 1333416888 NOOOWWXXWZZWMB-YJYMSZOUSA-N 388.472 -0.274 30 20 GBED NC(=NOCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(Br)cn1 1335367796 OZHOBQWRPPEALT-VIFPVBQESA-N 391.247 -0.216 30 20 GBED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC(CC#N)CC2)CC1 1344803412 YZSKNVABXJGOCI-MRXNPFEDSA-N 375.473 -0.096 30 20 GBED N#Cc1cnn2cc(CN[C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)cnc12 1349410444 VKSOCPOZSHZZPV-GJZGRUSLSA-N 376.442 -0.812 30 20 GBED CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cc(C#N)c(O)nc1=O 1464694408 KBQZUMQRQXGEQU-OAHLLOKOSA-N 376.461 -0.305 30 20 GBED C[C@H](C#N)C(=O)N(C)CCN1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1573561723 MJDLPFUWRPESRV-GFCCVEGCSA-N 385.432 -0.429 30 20 GBED C=CCC(C)(C)C(=O)N[C@@H]1CCN(C(=O)CC(=O)NCc2cnn[nH]2)C[C@H]1O 1575078687 MYXSJRIISFZBSE-ZIAGYGMSSA-N 392.460 -0.509 30 20 GBED CC#CCN1CCC(N(Cc2cnn[nH]2)C(=O)CN2C(=O)CN(C)C2=O)CC1 1575123827 WQLWZYOGETUVTI-UHFFFAOYSA-N 387.444 -0.485 30 20 GBED C#CCNC(=O)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588353969 CJMHNFMRJRMYQH-CABCVRRESA-N 382.428 -0.377 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)c2[nH]c(C)c(C(=O)O)c2C)CC1 1602726837 UVWXZNCBAIDOSF-UHFFFAOYSA-N 382.442 -0.402 30 20 GBED CC#CC[C@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1602889916 OZGNOFRSPYKTJM-DGCLKSJQSA-N 392.441 -0.576 30 20 GBED CC#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1602896138 CXJHWWBMAUGZPR-CYBMUJFWSA-N 391.457 -0.563 30 20 GBED N#CCN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2)CC1 1606350407 VJTPLCGHMSDUGE-CQSZACIVSA-N 380.412 -0.113 30 20 GBED Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)no1 1779125150 PEVLNVULCQHELL-YVEFUNNKSA-N 396.469 -0.139 30 20 GBED CN[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(=O)O 1780332929 JAINCWSMDMITFJ-KDOFPFPSSA-N 389.412 -0.607 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)COCCOC)CCO2)C1 1781267043 JUKIBHRLNAMUBF-LJQANCHMSA-N 398.456 -0.011 30 20 GBED CN(C)c1cncc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1783556688 BZWMHMFKMKBOOY-LJQANCHMSA-N 386.408 -0.321 30 20 GBED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1783898574 QYDKYVUIPZDIEE-MGPLVRAMSA-N 379.442 -0.663 30 20 GBED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1783930543 YPJLVEVTHRQIET-RTBURBONSA-N 378.425 -0.155 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCNC(=O)C3)[C@H]2C1 1791343058 NHDWVBJVPJOIDK-WOYTXXSLSA-N 391.468 -0.469 30 20 GBED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)NC(=O)OCC)C[C@@H]21 1792172463 KGGCVVNEYUEBLP-YXWQFLTLSA-N 381.429 -0.556 30 20 GBED CN(C)C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797811944 UTZCUMMSRASCAK-XKHVOEOCSA-N 396.444 -0.807 30 20 GBED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O 1800395502 JGIIVFBIGYJGEP-IVSAIRAKSA-N 382.482 -0.043 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)Cc1ccccc1 1800636958 FPZRURXEYFGKCQ-YYAJDYIMSA-N 386.404 -0.732 30 20 GBED NC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2 1804476910 ZTFBDMAPKBMNDJ-NWTWHZDGSA-N 381.433 -0.178 30 20 GBED C[C@@H](S)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2 1826012598 FBCUMPFRWCJHCX-SFYZADRCSA-N 397.482 -0.075 30 20 GBED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)CCn3cncn3)sc2C1 1826610825 LOYNMUIOFOGJRH-JTQLQIEISA-N 388.409 -0.175 30 20 GBED CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830053322 NSNRMXWTUJCIGK-IBGZPJMESA-N 394.472 -0.139 30 20 GBED CC(C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1830870964 YRJLSLVTIRTXQS-VQIMIIECSA-N 390.440 -0.027 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN(C)C(C)=O)CCO2 1832298746 NDEFCLFZVKYMLH-LJQANCHMSA-N 379.457 -0.275 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833124477 VWOZCNKPGKRORQ-GUYCJALGSA-N 380.470 -0.206 30 20 GBED NC[C@H](N)C(=O)NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1835066295 PBDABUJSENTDBH-FQEVSTJZSA-N 397.523 -0.104 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4cncn4)C3)C2)CC1 1835347723 DWMDYIMLLDOMIR-GOSISDBHSA-N 388.428 -0.572 30 20 GBED C[C@@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682756 UZRIFCOJFOBYEL-RDTXWAMCSA-N 382.461 -0.895 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCN(C)CC1)CCO2 1836676588 KUEDATDHNIOGOF-LJQANCHMSA-N 380.489 -0.734 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839235434 VCBSZJWOLWTELV-QGZVFWFLSA-N 376.417 -0.716 30 20 GBED COC(OC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812128 AMYIASIMRPRZDE-SFHVURJKSA-N 381.429 -0.244 30 20 GBED CCS(=O)(=O)NCCN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 68801866 NOXPSGRVBIWSGB-UHFFFAOYSA-N 386.499 -0.196 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCC(=O)NCC(F)(F)F)c1cc[nH]n1 276613763 PUPHFEFZKKNZKY-SRZZPIQSSA-N 379.295 -0.512 30 20 GBED COCCCNC(=O)/C(C#N)=c1/s/c(=C/c2cc(C#N)n(C)c2)c(=O)n1C 276827338 GZJYBQJXAPOKGQ-FPTVPCQBSA-N 385.449 -0.687 30 20 GBED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 279473908 SJHITJWKYJHOIV-GFCCVEGCSA-N 386.412 -0.778 30 20 GBED COC[C@H](NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[C@H]1CCCO1 289642063 JOCITJGJCFUVMM-JKSUJKDBSA-N 387.440 -0.088 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C 290752190 YRJYZLACYPDTIO-MISXGVKJSA-N 385.467 -0.226 30 20 GBED CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 297870535 UBHQVZLDLHEGAQ-AUUYWEPGSA-N 385.424 -0.082 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCNC(=O)C2)cc1 298957364 QFKVADUJPFRKNX-UHFFFAOYSA-N 380.426 -0.610 30 20 GBED O=C(CC/N=C(/O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1)N1CCOCC1 329010489 DKYLFGPJOQVIBN-SFHVURJKSA-N 382.461 -0.401 30 20 GBED COCCN1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 377904985 PSWNVKTZKZLRGG-UHFFFAOYSA-N 383.412 -0.132 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C)CN1CCCC1=O 445769551 RNGBOXGQPBRBRD-ZDUSSCGKSA-N 395.423 0.513 30 20 GBED COC(=O)CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)n2cnc(C#N)n2)c1 467076161 SQWRZTJVVOPCEV-JTQLQIEISA-N 392.397 -0.199 30 20 GBED COC(=O)CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)c1 467076162 SQWRZTJVVOPCEV-SNVBAGLBSA-N 392.397 -0.199 30 20 GBED CN(C(=O)CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1)C1(C#N)CCCCC1 507937528 DHPVQUMCLGFKAC-CVEARBPZSA-N 398.529 -0.553 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](N3CCNCC3)C2)cc1 515174419 NEBRAVBNQQDCDA-HNNXBMFYSA-N 377.470 -0.657 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 535227619 ZZRIMRXYVORZDR-GXFFZTMASA-N 386.455 -0.886 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](n2cncn2)C1 594636449 FNNPZTACYBNOPF-LBPRGKRZSA-N 396.454 -0.284 30 20 GBED CS(=O)(=O)NC1CC(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 619762803 LXUBQTBMRKLSTN-UHFFFAOYSA-N 378.458 -0.135 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Oc2ccc(S(=O)(=O)N(C)C)cc2)C1=O 727999270 RCSSKJDITCEAGH-UHFFFAOYSA-N 395.393 -0.181 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1 728536321 VAKFSBPDRXHOER-UHFFFAOYSA-N 397.435 -0.754 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCCN2C(=O)CNC2=O)C1 758469809 GCDCFKZUHCSELC-NWDGAFQWSA-N 394.432 -0.013 30 20 GBED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccn(C)c3)c2=O)cn1 763460885 OIFPPZRXQXSHSF-UHFFFAOYSA-N 382.449 -0.297 30 20 GBED C#CCNC(=O)CN1CCN(Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 766244380 VFVDAYUJQXXPNL-UHFFFAOYSA-N 378.498 -0.196 30 20 GBED CN(C)C(=O)Cn1cc(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)nn1 781601608 AEIZIMVQYFHVTG-UHFFFAOYSA-N 380.361 -0.504 30 20 GBED C#CCN(CC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1)C(=O)OC(C)(C)C 822266535 ZWAXZIMUTLEIBO-CYBMUJFWSA-N 388.490 -0.112 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cccc(OCCOC)c2)CC1 831564619 CMWHVRMCCOLROC-UHFFFAOYSA-N 395.481 -0.134 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 844202858 OXOWXRPBVUQWEO-ZBEGNZNMSA-N 395.441 -0.058 30 20 GBED Cn1ncc(CCCNS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)n1 848942373 KAOJCFWMHZTNGQ-UHFFFAOYSA-N 398.470 -0.472 30 20 GBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1cc([C@H]2CCCOC2)[nH]n1 848967152 RSYKNCQVYIKRQW-LBPRGKRZSA-N 390.487 -0.012 30 20 GBED CN1CCN(C(=O)C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)[C@H](CN)C1 868385238 NHYOBHMVUMVJFR-MRXNPFEDSA-N 388.447 -0.553 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 875596028 GTEMSKNJPOUJGM-LSDHHAIUSA-N 385.486 -0.443 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)nn1 940504916 KWUDLWMVWGJOCZ-KNCOVGOOSA-N 375.429 -0.154 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3nccnc3C(N)=O)[C@@H]2C1 972104460 VMJPHMIUGCDFGK-SYQHCUMBSA-N 385.424 -0.161 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@H]3C2)[nH]1 975664516 IIYJRMZJQPOFPC-VCOSZWKGSA-N 385.424 -0.018 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@@H]21 977217321 MZFJWGICRLVJPB-VMKQKJKBSA-N 391.468 -0.214 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1ncn(C)c1=O 1000564533 YONROTQCRCMDMR-OWYFMNJBSA-N 389.456 -0.189 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@H]1O 1025709776 ZSWISDHYFMWEGH-GBOPCIDUSA-N 376.413 -0.983 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ncc3cccnc32)C[C@H]1O 1025710212 CTESWLZDBUIILH-FPCVCCKLSA-N 385.424 -0.290 30 20 GBED C#CCOCCC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1056028785 AHWVAAIGBDAJNE-ZMSPIWPASA-N 376.453 -0.081 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CN(CC(=O)N3CCNC(=O)C3)C[C@@]2(C)C1 1092029794 IEBIHDKWPAYTES-DICRZQGBSA-N 390.484 -0.684 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@]1(C)CCNC1=O 1109714738 UVILNRLIGMGDLD-OVSNFEJUSA-N 377.445 -0.754 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCNC(=O)[C@@H]1CCCO1 1110200805 ZACICOOTLYAQCW-UGUYLWEFSA-N 378.473 -0.305 30 20 GBED CC(=O)N1CCC(NC(=O)CN2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H](C)C#N)CC1 1110395795 FDHJTNOYSMUUCV-YYQUZTFQSA-N 375.473 -0.005 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCc2cccc(C(N)=O)c2)CC1 1117280085 SBKVOSJOBNFWAA-UHFFFAOYSA-N 384.436 -0.568 30 20 GBED C=CCn1c([C@H]2CC(=O)N(C)C2)nnc1N1CCN(CC(=O)NCC)CC1 1121282554 CSGGMPIGNJOZJI-AWEZNQCLSA-N 375.477 -0.332 30 20 GBED CN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1298003222 FYKDRAYWQRTRAY-ZIAGYGMSSA-N 386.460 -0.506 30 20 GBED CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1319204111 SKJLBQWRXSFECK-DNZUHHBVSA-N 389.456 -0.332 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCNC(=O)c2ccc(F)cc2)C1=O 1324463448 VABJCLGRFBKMNV-OAHLLOKOSA-N 390.415 -0.083 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1326799857 FIZAQWDKEZIPBX-UHFFFAOYSA-N 397.428 -0.575 30 20 GBED COCCOc1cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)ccn1 1343355556 SNHQBUOWLHOFFB-ZDUSSCGKSA-N 381.410 -0.314 30 20 GBED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCCN(c3ccccc3C#N)CC2)CCO1 1348162457 BPXCOJMKQFWHLV-QGZVFWFLSA-N 399.451 -0.430 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1cncn1 1360684280 MYDKRIZLMGCCLT-SMDDNHRTSA-N 397.440 -0.378 30 20 GBED C=C[C@](C)(O)CC(=O)N1CCCO[C@H](CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1573309964 QIWJVIHXZIWZMM-PXAZEXFGSA-N 388.432 -0.565 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)nc3)C[C@@H]2O)c1 1581863101 WTKAYOVGJLSIRW-DOMZBBRYSA-N 379.384 -0.169 30 20 GBED N#Cc1ccc(N2CC[C@@](O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nc1 1581871549 ZIIOXHFNAKIJAU-QGZVFWFLSA-N 379.384 -0.167 30 20 GBED N#Cc1cccc(C2(C(=O)NCCn3cc(-c4nn[nH]n4)c(O)nc3=O)CC2)c1 1581875094 VGGCMRIGJISZIB-UHFFFAOYSA-N 392.379 -0.151 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 1588351497 XAUXSCTZCQTIJR-AWEZNQCLSA-N 383.460 -0.345 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588351971 BEDCIRQIRIXAEH-HNNXBMFYSA-N 382.428 -0.519 30 20 GBED C#CCOCCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[nH]n3)nc2)C1 1588359413 NRHHWTCFHMEVOW-SFHVURJKSA-N 385.428 -0.251 30 20 GBED C=C[C@@](C)(O)CC(=O)N1CCC(O)(CN=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1588499542 JSFXKSNYNNRUMI-MRXNPFEDSA-N 388.432 -0.829 30 20 GBED N#CCSCC(=O)N[C@@]1(CO)CCCN(c2ccncc2-c2nn[nH]n2)C1 1592679169 HUZGAGDUOUXESB-INIZCTEOSA-N 388.457 -0.034 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1602886865 XBHVLLFYNANUJC-YPMHNXCESA-N 387.400 -0.911 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCO[C@H](c2nn[nH]n2)C1 1609492784 APTDTLMJICFYIX-OLZOCXBDSA-N 380.372 -0.338 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1778979671 PMAPRSCXAPJDJM-KDOFPFPSSA-N 377.445 -0.319 30 20 GBED COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1779557493 MGFJWUKSBCLGPP-IIDMSEBBSA-N 380.445 -0.435 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc[nH]n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c2ccccc2)C3)CN1 1800521209 JWJLMNMIDIRLQW-LJCCNALRSA-N 381.432 -0.236 30 20 GBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2 1802022186 KYEFRKYZPFWAMC-HBCWATKFSA-N 395.419 -0.294 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSCC(=O)OC)CCO2 1831449335 JXFVWAMSZYHVHR-QGZVFWFLSA-N 386.470 -0.075 30 20 GBED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 1833451693 XXFNAKUCGRHERR-CQSZACIVSA-N 398.529 -0.481 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840051266 TZGSIUFQCXXSAA-CUYVQJCZSA-N 392.408 -0.902 30 20 GBED O=C(CN1C(=O)C=CC1=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844315637 OLCAINAZRHTFNY-AWQFTUOYSA-N 384.392 -0.173 30 20 GBED COC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1844385351 PZJWKYQORHAJBM-MBTVCVBTSA-N 393.488 -0.187 30 20 GBED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 24149648 IAINRNNJQLNKPR-LBPRGKRZSA-N 391.428 -0.210 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCNC2=O)ccc1F 31222553 GHUKAUXUWCNLSP-UHFFFAOYSA-N 385.373 -0.001 30 20 GBED C[C@H](N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)Nc1ccccc1C#N 265430910 FQXLJIQCAYPTKD-RRQGHBQHSA-N 392.481 -0.027 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CC(=O)N1CCOCC1 268721876 KSXVPVKMWMQBGY-ZDUSSCGKSA-N 394.453 -0.458 30 20 GBED C=CCn1c(=O)/c(=C/c2ccnn2CC)s/c1=C(/C#N)C(=O)N1CCOCC1 270042757 FDZCCPIOQDFEDI-MENHKMRYSA-N 399.476 -0.326 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NC[C@H](O)CN1CCCCC1)c1cc[nH]n1 278810026 TUZOQHBWPOVELY-JEEMYIIMSA-N 381.433 -0.344 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@](C(=O)OC)(C(F)(F)F)C2)C1=O 286156830 BVNQHMLMJFSABD-AWEZNQCLSA-N 391.302 -0.083 30 20 GBED CNS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 298029298 BYZAEAFSTCGBAG-UHFFFAOYSA-N 385.833 -0.241 30 20 GBED C[C@H](C(O)=N/C(O)=N/C1CC1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 328760848 XNYGGUGEMLMVNW-LLVKDONJSA-N 379.417 -0.299 30 20 GBED CN(c1cnn(C)c1)S(=O)(=O)CCCS(=O)(=O)N1CC(C)(C#N)C1 349469561 BHOAYVZUWXKYDG-UHFFFAOYSA-N 375.476 -0.249 30 20 GBED Cc1nc(=NS(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CC#N)n(C)[nH]1 349520645 KFHBLIPXQXKUEA-JTQLQIEISA-N 378.480 -0.759 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)CC[C@H]2C1 349521185 LHQLJXPLSIDMID-STQMWFEESA-N 392.503 -0.766 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCN(CCC(=O)OC)C[C@H]1C 409486740 OURYPIUWWIJXLX-CQSZACIVSA-N 376.479 -0.338 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@@H]1CC(N)=O 457063034 QHFLGLUCKJTEJY-YPMHNXCESA-N 380.426 -0.672 30 20 GBED C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 590981585 QZWRNDIEIVYMFG-LLVKDONJSA-N 386.412 -0.581 30 20 GBED N#CCCN1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)CC1 602279421 SLPLAGFGUBSLRI-UHFFFAOYSA-N 393.488 -0.958 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 609152427 FRDLZLZBMKNQQG-OAHLLOKOSA-N 384.440 -0.062 30 20 GBED CC(=O)NC[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCO1 609794063 VRJLAVZWULIZMC-OAHLLOKOSA-N 394.453 -0.458 30 20 GBED CN(C)S(=O)(=O)CCCOC(=O)CNS(=O)(=O)c1ccccc1C#N 782605721 RSCWOPZRSODNOT-UHFFFAOYSA-N 389.455 -0.339 30 20 GBED Cn1ncc2c(=O)n(CC(=O)OCc3cc(O)n4ncc(C#N)c4n3)cnc21 782624096 GWFQPOZZQHJLSH-UHFFFAOYSA-N 380.324 -0.507 30 20 GBED CNS(=O)(=O)N1CCC(C(=O)OCC(=O)NCc2cccc(C#N)c2)CC1 803935217 OFTGRBPEMXQKJG-UHFFFAOYSA-N 394.453 -0.106 30 20 GBED C=C[C@@H](O)C(=O)OCC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 814548212 QSHQMCKTEARWQS-PXAZEXFGSA-N 377.353 -0.417 30 20 GBED N#Cc1nc(NC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)[nH]c1-c1nn[nH]n1 822813970 AESJGTMJXFMZCZ-JTQLQIEISA-N 391.351 -0.081 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(OC(=O)N(C)C)CC2)c1=O 840091195 QAERTSZWCDDACI-UHFFFAOYSA-N 393.444 -0.336 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCCCCN)CC2)c1C#N 843265742 HZOHZQDHBBWUNZ-UHFFFAOYSA-N 375.477 -0.116 30 20 GBED C/N=C(/NCCN1CCOCC1)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 848994623 RTNZPXAVXKMTOT-CAOSSQGBSA-N 375.473 -0.709 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 887557183 ABILFMRAVCCJJC-JTQLQIEISA-N 382.398 -0.573 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccc(O)nc2)C[C@H]1O 1023960450 MCVRDCWMTUJREV-FPCVCCKLSA-N 375.425 -0.001 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nn(CC)nc2C)C1 1024440166 NCXZLTTWBVOIFU-NHIYQJMISA-N 377.445 -0.111 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CC(=O)N(C4CC4)C3)CC2)c1C#N 1117375996 XVCGJPNCFVHCSA-ZDUSSCGKSA-N 399.455 -0.872 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(CCC)[C@@H]1CCS(=O)(=O)C1 1117587602 XUOGALXHKARGFA-GFCCVEGCSA-N 380.488 -0.871 30 20 GBED CS(=O)(=O)N1CCC(NC(=O)Cn2cc3c(c(C#N)c2=O)CCC3)CC1 1189234098 JLZUEPJRFWHZCF-UHFFFAOYSA-N 378.454 -0.251 30 20 GBED CN1CC[C@](O)(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1254877596 ZBBPVCMXZRIIKK-BEFAXECRSA-N 385.424 -0.054 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1)[C@@H]1CCCO1 1323379344 UYXRRARAYBXNPC-HOTGVXAUSA-N 393.465 -0.481 30 20 GBED COC(=O)C[C@H]1CCCN1C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1323419629 INPKAXZXLCVCKH-BFWGRDPESA-N 378.385 -0.817 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1)[C@@H]1CCCO1 1323820989 YXJTUAGKEHZLQB-SJORKVTESA-N 385.420 -0.026 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)CCN1Cc1ccccc1 1325833424 WTLAKYHJPINFJM-SJORKVTESA-N 396.451 -0.541 30 20 GBED CO[C@@H]1COC[C@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 1326518555 IVXYBNRKOGMLQA-ZLKJLUDKSA-N 381.410 -0.159 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CC[C@H](N2CCCCC2)C1 1326597720 UHFVJKDNFGVDBK-HYEKCJMVSA-N 389.456 -0.284 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)CC1 1326613170 VKSZIRRGNPSVGY-CVEARBPZSA-N 390.484 -0.262 30 20 GBED CN1CC[C@@H](NC(=O)C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1=O 1326646292 PKECYOOWMIJZJV-QGZVFWFLSA-N 383.452 -0.014 30 20 GBED COC[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CCO1 1331226880 LJRTZTQYXORMBW-KBPBESRZSA-N 388.428 -0.741 30 20 GBED CCN(C(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@@H]1CCNC1=O 1348421624 IUSCPLHLKIQTEO-DLBZAZTESA-N 383.452 -0.040 30 20 GBED C[C@H](C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1)n1cnc(C#N)n1 1451228431 YYCJZQOYYWAFLK-YPMHNXCESA-N 383.478 -0.218 30 20 GBED C#CCNC(=O)CN1CC[C@@H](NC(=O)[C@@H](C)OCc2cnn[nH]2)C(C)(C)C1 1575004942 QGLOVXJUQNUPCK-UKRRQHHQSA-N 376.461 -0.324 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@@H](C)C1CN(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575075135 ZOLPVVOOQGEFIQ-APPDUMDISA-N 378.433 -0.899 30 20 GBED N#Cc1ccc(N2C[C@H]3[C@H](CNC(=O)c4ccc(-c5nn[nH]n5)[nH]4)[C@H]3C2)nn1 1581871501 XQCGJJPRXIJYOC-CNDDSTCGSA-N 376.384 -0.031 30 20 GBED N#Cc1nccnc1N1C[C@H]2C(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C1 1581884924 HCXRBRNADUMVPK-RYUDHWBXSA-N 376.384 -0.031 30 20 GBED C#CCCS(=O)(=O)NC(=O)CCc1c(C)nc(O)c(-c2nn[nH]n2)c1C 1588347555 RSASFGFIOOZDIM-UHFFFAOYSA-N 378.414 -0.014 30 20 GBED C#CCO[C@H](C)C(=O)NC1(CNc2cncc(-c3nn[nH]n3)n2)CCOCC1 1588356618 YPQKDHXIVUARJE-GFCCVEGCSA-N 386.416 -0.228 30 20 GBED C#CCOCCC(=O)N1CCC(O)(CN=c2cc[nH]cc2-c2nn[nH]n2)CC1 1588359483 PXZFLTMVQJRELE-UHFFFAOYSA-N 385.428 -0.511 30 20 GBED C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)n1 1609022064 SXLILIMIICEKPG-LBPRGKRZSA-N 384.404 -0.476 30 20 GBED CC(C)(C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1722919178 QYQWTVFQLANIHV-BLLLJJGKSA-N 383.474 -0.146 30 20 GBED Cn1nc2c(c1C(=O)N1CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C1)CCC2 1782442438 ZKWYVKUZQFWBRS-IBGZPJMESA-N 386.408 -0.560 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)n(C)n3)C[C@@H]21 1784478959 QFLFAWGJORILEZ-YXWQFLTLSA-N 390.440 -0.243 30 20 GBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1793428857 CCAXDYBIQZCJTC-AYDFFVQHSA-N 393.488 -0.631 30 20 GBED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCN1C(=O)C=CC1=O)C2 1793561559 DIPFUKQBNANFOE-LVQVYYBASA-N 387.436 -0.022 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccnnc2O)c1 1798384593 IHUPTFMJDVGMHX-JJLQDPRZSA-N 382.380 -0.101 30 20 GBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)C2 1802022131 HYUWTPJKTBUXQN-XOIINTDNSA-N 397.435 -0.052 30 20 GBED N#CCCC(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1806863256 NSQPSEBHFIFHMR-RVKKMQEKSA-N 386.456 -0.016 30 20 GBED COCCOCC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812876101 BJXFOVFCFOPLQW-DNVCBOLYSA-N 389.408 -0.162 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)CCn2cncn2)[C@H]1c1cccnc1 1812882367 MXPQPUHRYWASSK-KXBFYZLASA-N 396.407 -0.143 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831499668 XZNGEYLXVJJKRB-WBVHZDCISA-N 384.454 -0.515 30 20 GBED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)COCCO)CC2)CC1 1833466744 NNBIFFVGLVSYTQ-INIZCTEOSA-N 395.500 -0.395 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc[nH]2)CCO3)c1 1834104862 QZQIGXAXYOPFEI-SFHVURJKSA-N 384.396 -0.007 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccon3)CCO2)C1 1834483843 YQISDIJLMIRZGA-RDTXWAMCSA-N 377.397 -0.217 30 20 GBED CNC(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096091 OOMDKGHIKWBTIY-OAQYLSRUSA-N 399.447 -0.369 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCNC)CCO2)C1 1835658689 RHSPBKSEBYHVQY-VQIMIIECSA-N 381.473 -0.519 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1837396553 JELHMWYRLQYUME-ASKKUZCQSA-N 396.484 -0.213 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1840172405 LCIGESGUHNIGJH-LJQANCHMSA-N 381.473 -0.259 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840381795 CPXUIQRHPXWIFM-KRWDZBQOSA-N 393.469 -0.233 30 20 GBED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)n1cnnn1 1840474382 QFJZTZWYZPPJKA-KDOFPFPSSA-N 388.428 -0.896 30 20 GBED N#Cc1ncn(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 14144254 VOWCOUJLFJXOES-UHFFFAOYSA-N 390.425 -0.513 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2ccc3c(c2)NC(=O)CO3)c1=O 24417626 XCWTYMMKDYOXJE-UHFFFAOYSA-N 398.375 -0.243 30 20 GBED CCn1nccc1/C=c1\s/c(=C(/C#N)C(=O)NCCCOC)n(C)c1=O 270063363 LOJKRJNYYFVTRW-YEJJPGKBSA-N 375.454 -0.681 30 20 GBED Cc1noc([C@H]2CN(/C(O)=N/CCC(=O)N3CCN(C)CC3)CCN2C)n1 329044640 PINHBUACTAGIMW-CQSZACIVSA-N 379.465 -0.255 30 20 GBED CO[C@H]1C[C@H](/C(O)=N/CCS(=O)(=O)N2CCSCC2)N(C(C)=O)C1 329881532 OQBGOBBBZDFETD-QWHCGFSZSA-N 379.504 -0.043 30 20 GBED CC(C)C/N=C(/O)N1CCC[C@H](C(=O)NCCNS(=O)(=O)N(C)C)C1 330820598 QHQFIWYMETXKND-ZDUSSCGKSA-N 377.511 -0.219 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CC(O)(CC#N)C1 349444705 DCSXUCIUCYCLSB-NSHDSACASA-N 384.439 -0.474 30 20 GBED COC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2n[nH]c(C)c2C#N)C1 349511913 UGQSEAPLOBPGBC-UHFFFAOYSA-N 377.448 -0.618 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)N(C)CC#N)CC[S@](=O)C1 349605919 IIWGZDMAPVLWAF-DMZKTXOQSA-N 399.560 -0.418 30 20 GBED N#Cc1ccc(F)c(CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)c1 469572017 DETLDBCLVAEGDG-UHFFFAOYSA-N 380.357 -0.016 30 20 GBED COC(=O)CN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 480424575 AMVVWQRVUREPBE-UHFFFAOYSA-N 394.453 -0.272 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 535025041 IHSKDUJFBIMYQZ-UHFFFAOYSA-N 396.411 -0.486 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 543757424 CMHHKBPOYOQQDV-CQSZACIVSA-N 385.432 -0.023 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)C1=O 570071122 LBOXQQMCMGANSP-NWDGAFQWSA-N 376.379 -0.016 30 20 GBED CNC(=O)CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NC(C)(C)C#N)c1 571417750 OQXJCFFPFXGURJ-UHFFFAOYSA-N 388.471 -0.366 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C(F)F)cc1 571776793 LPFDBBPOALYAQE-GZMMTYOYSA-N 383.398 -0.219 30 20 GBED C[C@@H](O)CN1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1 592792219 DNTVSKLYQKZIEV-ZIAGYGMSSA-N 380.470 -0.250 30 20 GBED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)cc1 608911654 ODFPJMUUUZAAIZ-UHFFFAOYSA-N 382.445 -0.515 30 20 GBED CN(CC(=O)NCCCN1C(=O)CNC1=O)S(=O)(=O)c1ccc(C#N)cc1 609380688 SZDNJXKIWRTQJH-UHFFFAOYSA-N 393.425 -0.763 30 20 GBED CC#CC[C@H](CO)NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 649187522 RLVLSIDFXSQUGG-GFCCVEGCSA-N 387.483 -0.447 30 20 GBED CN(CCOC(=O)COc1cccc(C#N)c1)S(=O)(=O)N1CCOCC1 731292363 WJAVZEOCKRUICU-UHFFFAOYSA-N 383.426 -0.011 30 20 GBED C=CCNC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734034019 COMGQZZMPMNBEL-NEPJUHHUSA-N 395.437 -0.079 30 20 GBED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N(CC#N)CC(=O)O)CC2)cc1 738652884 JGSZIPQBRJCYAI-UHFFFAOYSA-N 394.453 -0.262 30 20 GBED Cn1c(N)c(C=NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c(=O)n(C)c1=O 749809244 COZUNMHXFXEJFF-LJQANCHMSA-N 398.423 -0.057 30 20 GBED Cc1cc(C(=O)OCC(=O)NC2(C#N)CCC2)nc2c1c(=O)n(C)c(=O)n2C 784228390 JGAALVWNRRJDHU-UHFFFAOYSA-N 385.380 -0.340 30 20 GBED N#CCc1ccccc1CC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 787998448 LMAJGMPNCRWPNC-IAGOWNOFSA-N 377.466 -0.403 30 20 GBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 818151987 PWQGFQJMGLIYJH-HNNXBMFYSA-N 387.488 -0.188 30 20 GBED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCn1cnnn1 819459833 XIVJIGHHTUGYEB-ZDUSSCGKSA-N 391.457 -0.057 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CCCC3(C2)OCCO3)CC1 839315007 ZSLJRVNTHKZKJR-UHFFFAOYSA-N 385.424 -0.033 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cccn2CCN2CCOCC2)CC1 906553821 ANFRDUGLRJWDCD-UHFFFAOYSA-N 387.484 -0.673 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 962528465 MFFIBVHKSBWOIW-YVSFHVDLSA-N 379.457 -0.476 30 20 GBED C=CCn1cccc1C(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 970614137 UNECLTYXFLNPOM-UQOMUDLDSA-N 376.413 -0.992 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1nc(C)n(C)c1=O 1000566477 GZROIMABIQCGOI-OWYFMNJBSA-N 389.456 -0.271 30 20 GBED C#CCOc1ncccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnnn1 1001253104 ZGXSDBHRGNHGEP-YUELXQCFSA-N 381.396 -0.358 30 20 GBED C#Cc1ccccc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1025692079 GZKPTDDGEYKKJH-BSDSXHPESA-N 383.448 -0.377 30 20 GBED C=CCN(CC=C)C(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C 1106663443 KDMFLXOBJTWXEE-WCXIOVBPSA-N 392.500 -0.096 30 20 GBED Cc1sc(=O)n(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)c1C 1111457498 ATDSQLSXCIXAGO-MCIONIFRSA-N 377.470 -0.112 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@H]1CCN(C2CC2)C1 1117046246 OECPCOUOKYIIBN-HUUCEWRRSA-N 397.483 -0.014 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2nnc3n2CCOC3)c1 1117641603 CRZXCGUEPYRPHF-UHFFFAOYSA-N 376.398 -0.725 30 20 GBED C=CCn1c([C@@H]2SCCNC2=O)nnc1N1CCN(CCOC)C(=O)C1 1262944110 IBSYFILZGQXIGE-ZDUSSCGKSA-N 380.474 -0.337 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)CN2CCCC2=O)c1 1319139909 ZYLFQHVQIVGTLI-CQSZACIVSA-N 381.454 -0.136 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CC[C@@H](N2CCCC2)C1 1322694477 NTHRBTPWVKINTM-UWZWCOGJSA-N 375.429 -0.674 30 20 GBED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCc2ccc(C#N)cc2)C1 1327720524 IMYSPLGARDUKDU-HNNXBMFYSA-N 378.454 -0.243 30 20 GBED C=CCn1c(CN2CCC(CO)CC2)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1340450507 PQLFFNCHBIJVFK-HOTGVXAUSA-N 390.488 -0.238 30 20 GBED COC(=O)N1CCN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 1344646306 UQQNFUDXXGHDBP-UHFFFAOYSA-N 386.412 -0.488 30 20 GBED C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 1348688242 HFPMYPGARLVMAU-HNNXBMFYSA-N 389.378 -0.286 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCc1ccc(OCC#N)cc1 1350726106 HRQFSHYIIURESX-KBPBESRZSA-N 381.410 -0.867 30 20 GBED CS(=O)(=O)C1(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CCOCC1 1532114462 SCFCJJXDKJQKEB-UHFFFAOYSA-N 383.430 -0.350 30 20 GBED C#CCN(C(=O)CCOCc1cnn[nH]1)C1CCN([C@H](C)C(=O)NC)CC1 1574894797 HKVQDPQKAJABHR-CQSZACIVSA-N 376.461 -0.228 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[nH]n4)nn3)C2)c1 1581861952 FYDPVPMGHAHHHS-LLVKDONJSA-N 380.372 -0.190 30 20 GBED C#CCNC(=O)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588354442 NBTSGOFTVWHFIA-CABCVRRESA-N 382.428 -0.377 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1OC 1588505585 SDRGKBDBTUJAJM-PBFPGSCMSA-N 389.416 -0.523 30 20 GBED C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1C[C@@H]2[C@H](C1)C2(F)F 1588709490 SWNXFDTUFMIDPU-DTORHVGOSA-N 375.347 -0.015 30 20 GBED C=CCn1cc(C(=O)N[C@@H](C)CN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)nn1 1588713911 YVFLRYYCCFTWGM-JTQLQIEISA-N 384.404 -0.137 30 20 GBED Cc1c(C#N)c(=O)n(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)c(=O)n1C 1599974057 JBBHYLJDLYFYRJ-OAHLLOKOSA-N 382.376 -0.235 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)c2cc(-c3nn[nH]n3)cc(N(C)C)c2)CC1 1602863794 PSEBOALVGFAVOP-UHFFFAOYSA-N 398.471 -0.007 30 20 GBED C#C[C@H]1COCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1609020277 WXXJQWGATBLXBT-YPMHNXCESA-N 390.425 -0.606 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](CO)CC1OCCO1 1644726625 JSTUCXPSZVHMDM-YPMHNXCESA-N 383.426 -0.535 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(CO)on3)C2)C1 1780391053 ALSXGXMIMYJUAZ-FZKQIMNGSA-N 377.397 -0.351 30 20 GBED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2)[C@@H]1C[C@H](O)CN1 1780596765 FGXFVDSZOLNYGM-MIALQEHNSA-N 375.469 -0.364 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781424330 LLIIYJHRKUVYNY-RHSMWYFYSA-N 378.433 -0.091 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1782587856 KMCNPNICQATQNC-GOSISDBHSA-N 383.364 -0.511 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSC(=N)N)C[C@@H]21 1784479932 LUGFTWUIBYMFBI-XUXIUFHCSA-N 382.486 -0.369 30 20 GBED NC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1785628975 GQNSUXBXUIKWNB-GQJMBIMPSA-N 397.432 -0.986 30 20 GBED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)CNC(N)=O)C3)C2)c1 1785630749 ZBKFZOGRESBFFB-IBGZPJMESA-N 385.424 -0.022 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncnn3C)[C@H]2C1 1785847448 XMZRNVNFTOCRDG-AJNGGQMLSA-N 375.429 -0.553 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CO)o3)[C@H]2C1 1788905450 NRONCFATACWRKJ-WHOFXGATSA-N 376.365 -0.547 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C[C@@H]21 1790792760 QNCUXLBNKSNVHP-YHUYYLMFSA-N 380.397 -0.906 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C3)[C@H]2C1 1790856408 MHIFNXLQOQBOAK-QMHWVQJVSA-N 377.441 -0.860 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(O)cn3)C[C@@H]21 1791079557 RQEYBJNMHZBNRP-RCBQFDQVSA-N 387.392 -0.603 30 20 GBED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1791267740 RTHHXRAZJPDSES-VGWMRTNUSA-N 378.473 -0.638 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 1792581644 XINGBLCZAWZORC-XGYYKPKNSA-N 393.484 -0.325 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)CC 1793244821 VUQXJQXJWZZFMQ-SVZOTFJBSA-N 379.457 -0.471 30 20 GBED C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2 1793587259 WMTNRBVINMQQDT-WCXIOVBPSA-N 383.489 -0.498 30 20 GBED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)c1cc2n(n1)CCNC2=O 1794973102 ZMONEKJDNRBVGJ-ZSBFGKGUSA-N 397.435 -0.757 30 20 GBED CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)S)C3)CC1 1797305984 JRPGXMFZJAOKNV-JJAZEVLHSA-N 398.529 -0.942 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800389963 OQAQWTFELVQWRB-IBEHDNSVSA-N 398.481 -0.809 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)C(O)O)CC1 1824019983 BLRMIJRIHOALCD-IDTUSYRASA-N 379.457 -0.225 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1831393036 JGGACBCDQFLBMS-DNVCBOLYSA-N 390.440 -0.553 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1831402288 SZEHQDUWGXVGRP-DNVCBOLYSA-N 395.456 -0.993 30 20 GBED Cn1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)c1=O 1835354980 MQLYRAVLXCVDDB-IBGZPJMESA-N 388.424 -0.241 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835359365 GAAGSWYUKMTFAJ-KDOFPFPSSA-N 378.429 -0.563 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)Nc1cccnc1)CCO2 1837626804 PSOXXYSAXJIZER-SFHVURJKSA-N 387.396 -0.610 30 20 GBED CC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838732980 HMIJLUNHQHEPMC-QAPCUYQASA-N 376.413 -0.273 30 20 GBED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1839165878 YETVGASQPHPGHC-APWZRJJASA-N 379.457 -0.229 30 20 GBED C=CCOCCCC(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2 1841606192 PXTACTVQXQKYDT-UHFFFAOYSA-N 381.429 -0.284 30 20 GBED O=C1NC(=O)[C@H](CC(=O)N2CCCC23CN(C(=O)C/N=C/c2ccco2)C3)N1 1841960342 SKPQYZWYHRTZLV-UJHWAJGWSA-N 387.396 -0.500 30 20 GBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](COC(C)=O)OC(C)=O)C1 1844284490 ANYKKWORGNLCRM-CZUORRHYSA-N 394.424 -0.277 30 20 GBED C=C(C)CN(CC)C(=O)CN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 51768120 HJLIOZPPIHAFLZ-UHFFFAOYSA-N 387.550 -0.479 30 20 GBED C/N=C(/NCCS(=O)(=O)C(C)(C)C)N1CCN(c2cnn(C)c2)C(=O)C1 261782963 QEGNSVYQGIYEHB-UHFFFAOYSA-N 384.506 -0.143 30 20 GBED CS(=O)(=O)N[C@H]1CCC[C@H]1C/N=C(/N)N1CCN(c2ncccn2)CC1 262474378 ZMXIUQSMACNFOV-KBPBESRZSA-N 381.506 -0.369 30 20 GBED C=Cn1cc(/C=c2\s/c(=C(\C#N)C(=O)NCCOC)n(C3CC3)c2=O)cn1 278092288 YJOMAJOGNHWQQE-VKDHKHAMSA-N 385.449 -0.193 30 20 GBED COCc1nc2n(n1)C[C@H](/N=C(/O)N1CCCN(S(C)(=O)=O)CC1)CC2 329800095 IDLUVJDLVHVNJY-GFCCVEGCSA-N 386.478 -0.379 30 20 GBED COCc1nc2n(n1)C[C@@H](/N=C(/O)N1CCCN(S(C)(=O)=O)CC1)CC2 329800097 IDLUVJDLVHVNJY-LBPRGKRZSA-N 386.478 -0.379 30 20 GBED C[C@H]1CN(C(=O)Cn2cc(N=C(O)N[C@]3(CO)CCOC3)cn2)C[C@@H](C)O1 329824247 HUKFOQJUTXZWPK-AHIWAGSCSA-N 381.433 -0.195 30 20 GBED CN1CCN(CC2(C)CCN(/C(O)=N/CCNS(C)(=O)=O)CC2)CC1 330844507 KYTBZQLQBKMMSJ-UHFFFAOYSA-N 375.539 -0.201 30 20 GBED CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](O)C1 349514642 AAGHNANIIYIRAE-GFCCVEGCSA-N 391.475 -0.697 30 20 GBED CN([C@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 349520718 KPCQSKOFNCMDBI-STQMWFEESA-N 397.544 -0.302 30 20 GBED CCN1CCCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)CC1 349531415 IMSBCQZUCQHLCO-UHFFFAOYSA-N 378.520 -0.291 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)CC1 408274696 NMQRKMSEKULJBX-UHFFFAOYSA-N 395.460 -0.053 30 20 GBED CN(C)CCOCCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 441849061 VZLCBPWVPXONRV-UHFFFAOYSA-N 385.428 -0.169 30 20 GBED N#Cc1ccc(CNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)cc1 446790927 RJSULCGZBZZKKR-UHFFFAOYSA-N 382.424 0.342 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 465467817 QRBDXIWNDJSIGR-KBPBESRZSA-N 392.485 -0.496 30 20 GBED C=CCn1c(COCC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 508846211 FWQGSXOHGHWGSZ-UHFFFAOYSA-N 378.477 -0.019 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1Cc1ccon1 527030269 KIWZUSHRSMPBMT-UHFFFAOYSA-N 398.448 -0.027 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCn3ncnc3C2)cc1 565312598 CTQAAKNZZXRZCE-UHFFFAOYSA-N 396.454 -0.373 30 20 GBED CC(C)(CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)NS(C)(=O)=O 611360748 FGDVMZYFALWOMJ-UHFFFAOYSA-N 384.462 -0.108 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 646954796 ADDODAHSVOSNGF-LBPRGKRZSA-N 397.453 -0.226 30 20 GBED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1ccc(C#N)cc1 728762274 BVAJXPUQZYLBNN-CQSZACIVSA-N 378.410 -0.510 30 20 GBED N#CC(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1CC(N)=O 760384618 FWTZKOFXCWGVJN-UHFFFAOYSA-N 376.401 -0.393 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN2C(=O)OC[C@H]2C1 764146033 GJGMXGQOKYUMRT-LLVKDONJSA-N 378.410 -0.222 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN2C(=O)OC[C@@H]2C1 764146044 GJGMXGQOKYUMRT-NSHDSACASA-N 378.410 -0.222 30 20 GBED Cn1cc([C@H](CO)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 778404059 QVJQQUKCYPCGJO-ZDUSSCGKSA-N 377.426 -0.302 30 20 GBED Cn1c(=O)c2c(ncn2CCN2CCN(c3ccc(C#N)nc3)CC2)n(C)c1=O 791051765 GYCXDGQRGFQFCH-UHFFFAOYSA-N 394.439 -0.477 30 20 GBED COc1ccc(CNC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)cc1C#N 809502001 ZHWKTGAYJMNUML-UHFFFAOYSA-N 387.440 -0.409 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCNC2=O)cc1 811833508 FRJXHARXUZXCRP-NSHDSACASA-N 379.394 -0.305 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)OC)cc2F)CC1 831568654 NEDQTAQNYGDEBD-UHFFFAOYSA-N 383.401 -0.162 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)SCC(=O)N3)CC1 831574229 BKFSNUWROBVQKV-UHFFFAOYSA-N 394.478 -0.044 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 846085858 REVFVFMGOZGILM-GFCCVEGCSA-N 383.401 -0.074 30 20 GBED C#CCN(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)N=c2nc[nH]n2C)cc1 848467910 XHZPJMRVYBBOQY-UHFFFAOYSA-N 395.466 -0.176 30 20 GBED Cn1c(=O)c2c(ncn2CCOC(=O)c2cccc(C#CCO)c2)n(C)c1=O 860078699 OXGGZOFLOYDNLP-UHFFFAOYSA-N 382.376 -0.366 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2ccc(C)cc2=O)C1 963214255 LVYZBLUBALLLBX-WCVJEAGWSA-N 375.425 -0.564 30 20 GBED N#Cc1ccncc1N1CCN(c2nnnn2CCCN2CCOCC2)CC1 1119721321 ZCUFAMNWOFARSX-UHFFFAOYSA-N 383.460 -0.011 30 20 GBED Cn1nc(CNC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c2ccccc21 1258326256 RPSCMGZLDZFZSZ-MSUUIHNZSA-N 396.407 -0.168 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1 1319089767 LCZGTTZHKIDMGZ-CYBMUJFWSA-N 376.394 -0.764 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)CC1 1322796432 AGBUKWXVEKOSCW-UHFFFAOYSA-N 394.472 -0.043 30 20 GBED CCCN1CC[C@@H](CNC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1322961642 IOBHZKYCSBUKKI-PVEMMZBWSA-N 377.445 -0.523 30 20 GBED Cc1nsc(N2CCN(C(=O)Cn3ncn4nccc4c3=O)CC2)c1C#N 1324247841 ROVASPZQMDJLSM-UHFFFAOYSA-N 384.425 -0.124 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1)c1nncn1C 1326871981 JMTIPODELVCOJH-LLVKDONJSA-N 398.470 -0.001 30 20 GBED CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCc2ccc(C#N)c(F)c2)C1 1327765843 JDUDZEYXIWBKDE-ZDUSSCGKSA-N 382.417 -0.146 30 20 GBED CO[C@]1(C)C[C@H](NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1(C)C 1328818543 YBFUAKHSAUUAPG-PIFWNBIOSA-N 378.429 -0.051 30 20 GBED CC(C)C(=O)N1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1329345086 UAUZNGVHECGXGJ-INIZCTEOSA-N 375.473 -0.098 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)CC1 1349253405 VZXDQAABKXPIJG-UHFFFAOYSA-N 398.529 -0.221 30 20 GBED C[C@@H](C#N)C(=O)N1CC[C@@H](N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 1571205718 KYHRCBVQAKRCMZ-QWHCGFSZSA-N 382.432 -0.461 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2cncc(-c3cnn[nH]3)c2)C1 1575107847 BNVJPBFKULIJLE-LBPRGKRZSA-N 386.412 -0.239 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)cn3)C[C@@H]2O)CC1 1588351767 JDPIFSFNRYMTEY-CVEARBPZSA-N 396.455 -0.727 30 20 GBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@]2(C)C1 1588353368 POCVQAVIZKUOPX-VPZZIHKRSA-N 396.455 -0.273 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)C1 1779873367 MTWKEVGGOCBNEP-LJQANCHMSA-N 385.424 -0.015 30 20 GBED Cc1nccn1CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1781558985 CXGYFSJAIOSXPC-DNVCBOLYSA-N 388.424 -0.207 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1782751697 HBXOIIWAIWGBFW-HDMKZQKVSA-N 375.429 -0.293 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1783566317 TXCDXBRYIAWLQE-GOSISDBHSA-N 383.364 -0.511 30 20 GBED CN1N=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)CCC1=O 1784975920 NZSLYDSKGJFNNA-YDHLFZDLSA-N 387.440 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CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1829856570 MNLQGWPFWVILRB-BEFAXECRSA-N 392.456 -0.339 30 20 GBED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1831207942 BLTKTFQWRLVMSX-LJQANCHMSA-N 386.408 -0.334 30 20 GBED Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1O 1833401478 YVQJXVWDASKXOV-LJQANCHMSA-N 388.424 -0.391 30 20 GBED CC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838732981 HMIJLUNHQHEPMC-YJBOKZPZSA-N 376.413 -0.273 30 20 GBED Cc1onc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1C 1840040423 ZVPAAIUPBQOZMK-GOSISDBHSA-N 391.380 -0.551 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840564208 MNIONIBYKCTGBZ-XLIONFOSSA-N 395.500 -0.179 30 20 GBED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196650 ZLNKKWIGUNCRSJ-ZDUSSCGKSA-N 381.385 -0.879 30 20 GBED CN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 68972676 JTCKORNZJKDKMS-UHFFFAOYSA-N 381.414 -0.117 30 20 GBED Cn1c(N)c(C(=O)CN2CCN(c3ccccc3C#N)CC2)c(=O)n(C)c1=O 101554987 DYSLLIDQNDSYPD-UHFFFAOYSA-N 382.424 -0.457 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)NC)c2C)C1=O 268993221 HLVJBPHPMNFIDX-UHFFFAOYSA-N 394.409 -0.182 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 283105533 XQUVTYFQROKJEE-CQSZACIVSA-N 395.489 -0.416 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cccnc2OCCOC)C1=O 284410275 JUFRNNRWZRBGSD-HNNXBMFYSA-N 390.440 -0.032 30 20 GBED CCC(=O)N1CC[C@H](/N=C(/O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 330000468 WLKHRHCLLDTPMR-HNNXBMFYSA-N 381.477 -0.612 30 20 GBED C[C@H](C/N=C(/O)N1CCC[C@H](n2cnc(C(N)=O)n2)C1)CN1CCOCC1 330336734 SRQIYJYFJALYEW-KGLIPLIRSA-N 379.465 -0.104 30 20 GBED C[C@H]1CC(=O)NCCN1S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 349482808 TUZHTCAYAANRGN-NSHDSACASA-N 386.455 -0.612 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C[C@@H]1C 349504247 MEJKWTUGEZVPJJ-RYUDHWBXSA-N 380.492 -0.910 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C[C@@H](CO)O1 410586011 CDLNFCFKQBWGHT-NJAFHUGGSA-N 386.452 -0.169 30 20 GBED C=C(C)CN(C)C(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 410814622 RVEZGDZLIMZNNG-CQSZACIVSA-N 375.491 -0.080 30 20 GBED CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC)C1 443681772 FIQXOHOOLKFGFG-UHFFFAOYSA-N 380.426 -0.097 30 20 GBED COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1cc(C#N)ccc1F 445076198 YXANYTSTBRCBAR-ZDUSSCGKSA-N 390.414 -0.201 30 20 GBED COC[C@H]1CN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CCO1 460581697 HHEFSTLXZXPLKK-CQSZACIVSA-N 384.396 0.260 30 20 GBED COCC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 461651556 XDHAPBOLOGJKHS-CQSZACIVSA-N 383.426 -0.127 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)CC2)c1C#N 472076973 UMKMDGYGHKCROR-JSGCOSHPSA-N 375.433 -0.535 30 20 GBED COc1c(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c(C)nn1C 480066282 IEBDNNOYCKLGRR-UHFFFAOYSA-N 397.439 -0.031 30 20 GBED Cn1c(=O)c2cc(NC(=O)C(=O)NCc3ccc(C#N)cc3)cnc2n(C)c1=O 511454998 AXWSFSAHUMGWRT-UHFFFAOYSA-N 392.375 -0.241 30 20 GBED C[C@H]1C(=O)NCCCN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N 515671584 ODUGMKFMVTUDKN-NSHDSACASA-N 380.492 -0.862 30 20 GBED CNCCCc1n[nH]c(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c1C#N 536301275 UKWFJZSCARDRAY-UHFFFAOYSA-N 398.427 -0.425 30 20 GBED COc1ccc(CCNS(=O)(=O)N(C)CCC#N)cc1S(N)(=O)=O 537656233 CDVHODBBQKCRTP-UHFFFAOYSA-N 376.460 -0.435 30 20 GBED N#CC1(NS(=O)(=O)c2ccccc2S(=O)(=O)NC[C@H](O)C(F)F)CC1 566488389 YPOLMKJURYOSCX-VIFPVBQESA-N 395.409 -0.075 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 596748287 KWNRCOGIDFCNJK-HZSPNIEDSA-N 380.426 -0.072 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCC1=NNC(=O)C1 597664200 HOXFYTKSAPMVPE-LLVKDONJSA-N 377.426 -0.003 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)n1 600010758 AJRISWRCESVSNS-UHFFFAOYSA-N 380.430 -0.628 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 728534997 UXDVKVMOYWOPKI-UHFFFAOYSA-N 397.395 -0.317 30 20 GBED COC(=O)CN(CC(=O)OC)CN1CC(=O)N(Cc2ccccc2C#N)C1=O 728560600 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C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cccn2c(O)nnc12 1111272664 ZSABYFLRNYWBID-MXYBEHONSA-N 382.424 -0.092 30 20 GBED CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1c1ccncc1 1212293371 JOXHIXOZUFLUFV-KONPQCLYSA-N 387.440 -0.386 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)CCO1 1261611190 KLRSEHYUIUPXPN-KURKYZTESA-N 384.436 -0.151 30 20 GBED CC1(C#N)CCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 1323674653 XZGPLABFEFKTTM-UHFFFAOYSA-N 379.442 -0.372 30 20 GBED CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)[C@@H](C#N)C1 1327876136 RASRDEVVVOCYAT-OLZOCXBDSA-N 386.474 -0.265 30 20 GBED C=CCN(C(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@@H](C)COC 1329015390 OXDIFGVODMPJDU-RFBLXINOSA-N 389.452 -0.041 30 20 GBED CC#CCn1nnnc1N1CCN(c2ccccc2S(=O)(=O)NC)CC1 1334920025 RDFNWLOUCQPGHV-UHFFFAOYSA-N 375.458 -0.069 30 20 GBED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C(=O)N1c1cnn(C)c1 1336150728 PQQMPSKCMJHSLS-IVMMDQJWSA-N 399.455 -0.771 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1 1347038519 UCBZVTRRJQAYSW-UHFFFAOYSA-N 391.428 -0.274 30 20 GBED CC(C)CC(=O)N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1348536143 RHZWHQNDBUVUSC-INIZCTEOSA-N 375.473 -0.098 30 20 GBED CC(C)(CNC(=O)Cn1cc(C#N)c(O)nc1=O)[C@H]1COCC12OCCO2 1556980296 ZYIIIVPRRACCRW-GFCCVEGCSA-N 378.385 -0.648 30 20 GBED CC1(C)CN(CC(=O)NCC#N)CC[C@@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1575712158 FDJPXAHMFHNJTR-ZDUSSCGKSA-N 385.432 -0.335 30 20 GBED N#Cc1ncn(CC(=O)N2CCC[C@H](Nc3ccc(-c4nn[nH]n4)cn3)C2)n1 1581885519 CLXUVLADTAURQS-LBPRGKRZSA-N 379.388 -0.172 30 20 GBED C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1C[C@@H]2[C@@H](C1)C2(F)F 1588709492 SWNXFDTUFMIDPU-RKDXNWHRSA-N 375.347 -0.015 30 20 GBED C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CCO[C@H](CCF)C1 1588709827 WLQFUTQJEDNGRE-LLVKDONJSA-N 389.399 -0.151 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H](C(=O)O)[C@H]2CCOC2)c1 1601121314 KSATUEOQENNHTE-JSGCOSHPSA-N 381.410 -0.310 30 20 GBED C#CCOCCNC(=O)C(=O)NCCSCc1ccccc1-c1nn[nH]n1 1602729406 QNPRLLYQZYFNPY-UHFFFAOYSA-N 388.453 -0.018 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@@H]2O)c1 1602745720 QHLGDHRWFYOIAW-KGLIPLIRSA-N 377.368 -0.988 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)C2(c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 1609021354 ULMHDEIDCYEKBD-UHFFFAOYSA-N 393.451 -0.208 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](O)[C@H]3C(=O)O)CC2)o1 1610551690 RQMNEDMMXUYQON-ZFWWWQNUSA-N 377.401 -0.587 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC(C(=O)NCCO)CC2)cc1 1647973430 RTQTWQCJUOTSNR-UHFFFAOYSA-N 393.465 -0.180 30 20 GBED Cn1cnc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)n1 1729592178 ZUAARWIZDPAEDB-NHYWBVRUSA-N 394.436 -0.201 30 20 GBED CCN(CCC#N)C(=O)CN1CCOC[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1754969000 PFKACTPOEAMECP-PITCONLNSA-N 390.484 -0.011 30 20 GBED CS(=O)(=O)NCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 1771369132 XHJDSMSVUJQLIY-CQSZACIVSA-N 391.457 -0.458 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1778969460 MFZAIXVFBBGOCN-KBXCAEBGSA-N 377.445 -0.319 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](O)N4CCOCC4)C3)C2)CCC1 1779099036 OYCNECGCBRTKQA-HNAYVOBHSA-N 392.456 -0.839 30 20 GBED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1 1781317399 MBDFJKZMUNTTDN-FHIITYSISA-N 399.444 -0.646 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSCC(=O)O)C[C@@H]21 1784481950 ZUAFWOHYDKEFCG-AJNGGQMLSA-N 398.481 -0.178 30 20 GBED NC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)c1ccccc1 1786923651 DKOWUZMQHFGQOM-MHORFTMASA-N 399.447 -0.203 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)OC)[C@H]2C1 1791315168 JRYPYUJXPMWCOC-CVSIHACCSA-N 379.457 -0.141 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=S)NCC)C2 1793346411 PVKPOMYADPNFMW-HGTKMLMNSA-N 396.513 -0.902 30 20 GBED CN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1793638145 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C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 283659309 QGGCZYLRAFLBJN-HNNXBMFYSA-N 398.471 -0.137 30 20 GBED CN1CCN(C(=O)CC/N=C(/O)N2CCC[C@](O)(C(=O)N3CCCC3)C2)CC1 329037879 NKVKVCIQVDHERG-LJQANCHMSA-N 395.504 -0.486 30 20 GBED CN(C)S(=O)(=O)c1cccc(/C(O)=N/CC(=O)N2CCO[C@H](C#N)C2)c1 330660363 SCAAKFHJBIXFIL-CYBMUJFWSA-N 380.426 -0.008 30 20 GBED C[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)N(C)C1(C#N)CCC1 349456337 DMBMFAGRVPLSKT-QWHCGFSZSA-N 379.504 -0.131 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C#N)C(C)(C)C)CC1 349534132 FORXJNPQMWYFNU-ZDUSSCGKSA-N 380.536 -0.189 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCCS(=O)(=O)N[C@@H]1CC[C@H]1O 349585195 LKIVGFVIBSZKOF-YNEHKIRRSA-N 397.544 -0.520 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cn(CC(N)=O)nn2)cc1 487498618 LFSMZCZUEWGSCK-UHFFFAOYSA-N 378.414 -0.178 30 20 GBED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCOCC2)C1 508936838 UIZKLWPPKOUPSG-KBPBESRZSA-N 384.506 -0.015 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[C@H]2O)cc1 519837338 VBMRMWLUHCAFQB-ZIAGYGMSSA-N 384.439 -0.474 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)C2=O)cc1 546851719 ZZEKFCGTRVVATK-GJZGRUSLSA-N 396.407 -0.001 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CC(=O)N(C3CC3)C2)cc1 570462607 IUDVINOIIPCEBO-UHFFFAOYSA-N 384.439 -0.559 30 20 GBED CN1CC[C@H](N(C)S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1=O 572617145 SXXQFAZKGUPEKI-ZDUSSCGKSA-N 386.455 -0.660 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCc2ncnn2C1 583642171 QUGGGLUAPLFQCQ-LLVKDONJSA-N 390.491 -0.876 30 20 GBED CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)ccc1C 592304370 KIMDFYDTUUPHRZ-INIZCTEOSA-N 380.426 -0.281 30 20 GBED C[S@@](=O)C1(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)CC1 594626491 WFBGGPRWNKUMAW-JOCHJYFZSA-N 391.496 -0.322 30 20 GBED CO[C@](C)(CO)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 594628280 BSGNLTIUYCKROO-ZDUSSCGKSA-N 377.444 -0.836 30 20 GBED N#Cc1cccc(CNC(=O)CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 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375.429 -0.472 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)O 833376762 AZCTXONBOFRVEV-UHFFFAOYSA-N 390.396 -0.422 30 20 GBED C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)Nc2cccnc21 848965297 NAWBIKYHAOXUSS-LLVKDONJSA-N 386.455 -0.499 30 20 GBED COCCS(=O)(=O)CC(=O)OCC#CCN1C(=O)c2ccccc2C1=O 859503336 SCVYCYQEMXBBBH-UHFFFAOYSA-N 379.390 -0.110 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3nn[nH]c3n2)C[C@@H]1O 964614995 AMVHWAVTXDDWFU-RABLLNBGSA-N 386.412 -0.364 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cn(C)cn1 993534719 HPHHQLAZLPRORJ-OSRDXIQISA-N 375.429 -0.703 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1C(=O)CCC1=O 1006385732 NKRGQSGUYUMQPW-ZSAUSMIDSA-N 375.425 -0.025 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)C[C@H]1O 1023942378 VUUSXCOXJOSGGH-IYDIDCQVSA-N 391.424 -0.334 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2ccc(O)nc2=O)n1 1055139624 VFHYHWSYVRKNKM-RDBSUJKOSA-N 381.396 -0.155 30 20 GBED Cc1nc(N2C[C@H](O)[C@H](NC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)ccc1C#N 1091198098 YOTJQICTRZMNHF-WCVJEAGWSA-N 387.440 -0.260 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ncn(C)n1 1109234765 DIGOQUCQBIEARD-NDBYEHHHSA-N 375.433 -0.450 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(-n3cncn3)nc2)C1=O 1117011157 LKIJDJRTRJYBIL-AWEZNQCLSA-N 383.412 -0.476 30 20 GBED CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC2CCN(CC#N)CC2)CC1 1117085979 PATKXYQOGSBQTD-MRXNPFEDSA-N 378.521 -0.520 30 20 GBED CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CCn1cc(C#N)c(O)nc1=O 1142804137 YBILHXKSEHYHNN-UHFFFAOYSA-N 393.444 -0.057 30 20 GBED CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)CC1 1261807089 JPWHKZGCEPZJCC-GOSISDBHSA-N 377.445 -0.664 30 20 GBED CN(C)C(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1261860916 JTALMJADDHORDX-UKRRQHHQSA-N 376.461 -0.553 30 20 GBED Cn1nc(S(C)(=O)=O)c2c(=O)n(CC(=O)NC3(C#N)CCCCC3)cnc21 1320904918 GNDJBPLYSLAEDZ-UHFFFAOYSA-N 392.441 -0.124 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 1325961523 OZIKTOIURQQXGL-LJQANCHMSA-N 385.424 -0.181 30 20 GBED NC(=O)COC1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1330108314 OFCZZHORZBLKLP-UHFFFAOYSA-N 394.453 -0.392 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NCc1ccc2c(c1)CCO2 1345072833 JFNZIGNEFUYKDN-WUKNDPDISA-N 384.392 -0.120 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 1346553370 PIZYSVPNDSZVCI-SZGQWAQFSA-N 389.456 -0.238 30 20 GBED C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cncc(-c3cnn[nH]3)c2)C1 1575107844 BNVJPBFKULIJLE-GFCCVEGCSA-N 386.412 -0.239 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CCN(CC(=O)NCc2cnn[nH]2)C1 1575111506 FQYAQHVIJHBJKD-BMFZPTHFSA-N 376.461 -0.160 30 20 GBED Cc1cc(=NCCN(CCO)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)c(C#N)c[nH]1 1581028861 MKDUBVJYCOFONM-UHFFFAOYSA-N 381.400 -0.262 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C1 1588406344 TZSHDJXQIWALAM-CHWSQXEVSA-N 385.432 -0.178 30 20 GBED C#CCOCCC(=O)N1C[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C1 1602727803 STQLNDRWOCSZBG-BETUJISGSA-N 383.412 -0.235 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CN=c1cc(C)[nH]cc1-c1nn[nH]n1 1602794331 KEJXBEWVCYUXAY-PXAZEXFGSA-N 375.433 -0.450 30 20 GBED N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2cc[nH]n2)CCO1 1770748039 LRRYGKLEHRBBAL-QWHCGFSZSA-N 386.416 -0.336 30 20 GBED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)Cn1cncn1)CCO2 1779016874 RKKIRMXQMQNQFB-HGMDMCOWSA-N 389.460 -0.420 30 20 GBED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOCC3)[C@H]2C1 1786721069 FWMBFVIZLJAFFM-JYJNAYRXSA-N 378.473 -0.152 30 20 GBED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C(C)=O)CC3)C[C@@H]21 1791276530 HPFUPEFISZHOIL-BZSNNMDCSA-N 392.500 -0.294 30 20 GBED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1791284495 KUKBJOHCCCFCMB-NUXNZHGMSA-N 393.440 -0.114 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)NC2)c1 1792583213 LWHKVGPFQDQQFG-ZJOBFFGXSA-N 385.424 -0.384 30 20 GBED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2 1793566681 VTFFSEZGNPTLAD-RVMXOQNASA-N 399.411 -0.897 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1796324945 JWUJYXHEKZEQAS-XJFOESAGSA-N 377.445 -0.283 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ccccc3n1)C2 1800778349 NUZNQJFADNKGQT-IVWMJMPLSA-N 382.376 -0.375 30 20 GBED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)C(F)(F)F 1801033219 UOHOQLYZEODXNQ-DDFAGTSDSA-N 376.335 -0.442 30 20 GBED CN[C@@H](CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2)C(=O)O 1815086497 MJRPHHFYNNLRFG-SCZZXKLOSA-N 394.409 -0.794 30 20 GBED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=N)N)CC2)CC1 1833464407 GVODBRYJQAEOPY-CQSZACIVSA-N 392.504 -0.921 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)C1 1840171348 CDKVSPBMMZDSTP-WMLDXEAASA-N 388.486 -0.300 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2 1844158559 BALGIQUTJBYFPM-ZDUSSCGKSA-N 375.385 -0.232 30 20 GBED C[C@H](C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)[C@@H]1SC(=N)NC1=O 1846195380 KBESKQKWXZJDIU-CABZTGNLSA-N 378.410 -0.920 30 20 GBED CN(C)C(=O)CN1CCN(C(=O)CN2CCN(c3cc(C#N)ccn3)CC2)CC1 29447423 VXZDJUXJWXZEMJ-UHFFFAOYSA-N 399.499 -0.692 30 20 GBED N#C[C@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 266885202 ZZTSNBVEEJVJPE-HNNXBMFYSA-N 396.444 -0.117 30 20 GBED C=CCn1c(=O)/c(=C/c2c[nH]c(C(=O)OC)c2)s/c1=C(/C#N)C(=O)NC1CC1 267795270 HWIFRHKJGBTREE-LKWLHPLTSA-N 398.444 -0.008 30 20 GBED Cc1c(/C=c2/s/c(=C(\C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)cnn1C 270047489 LOBJHKQWOIXBBM-PZJGXPBYSA-N 387.465 -0.713 30 20 GBED CCc1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c(C#N)c1CC 276321122 OXHFVGJZKGCYHK-UHFFFAOYSA-N 384.444 -0.060 30 20 GBED Cc1cc(=NS(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)cc[nH]1 349464855 WXYBGAKTRXSIDA-UHFFFAOYSA-N 388.471 -0.766 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N(C)C2(CO)CC2)c1C#N 349478640 KLDLGYKOLLPXBC-UHFFFAOYSA-N 391.475 -0.492 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 349481729 ODMDIDHAHBZFPL-RWMBFGLXSA-N 385.467 -0.120 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C[C@H]1C 349511334 RZUMSQNHRKAUFX-NEPJUHHUSA-N 380.492 -0.862 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](N2CCCC2)C1 349525111 QQNJTRCOLIADMT-CQSZACIVSA-N 378.520 -0.338 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCc2c1cnn2C 349562553 FLOPVVSICKPVSV-CYBMUJFWSA-N 389.503 -0.108 30 20 GBED CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CC[C@@H](O)C1 349587549 HBJRBAARMHUIBF-TZMCWYRMSA-N 379.504 -0.225 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCc2nc(COc3ccccc3)n[nH]2)CCO1 409500577 KLIYGMCKYWIXGU-ZDUSSCGKSA-N 378.414 -0.058 30 20 GBED COCCN(CCC#N)S(=O)(=O)N(C)C1CCN(S(C)(=O)=O)CC1 409511927 RRBCIZAJBBFEEC-UHFFFAOYSA-N 382.508 -0.551 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 410134434 MQHXPHGLNPTIAO-INIZCTEOSA-N 375.539 -0.045 30 20 GBED COC(=O)[C@]1(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCOC1 446494510 WILKMMLISFHSCR-INIZCTEOSA-N 381.410 -0.373 30 20 GBED C[C@]1(c2ccc(CNC(=O)NCCn3cnc(C#N)n3)cc2)NC(=O)NC1=O 491067652 RJRFXDWTVSJLDZ-QGZVFWFLSA-N 382.384 -0.296 30 20 GBED Cc1ccc(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)cc1S(=O)(=O)NCC#N 498776041 FWFLFTKZCRHJNN-CYBMUJFWSA-N 394.453 -0.538 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)[C@@H](C)C1=O 571895542 RYTNKTQTRFDYIR-LBPRGKRZSA-N 394.519 -0.520 30 20 GBED Cc1nc(CN2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)n[nH]1 588964515 RGPXPCFUOODKFV-UHFFFAOYSA-N 375.458 -0.029 30 20 GBED Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC[C@@H](CC#N)C3)cnc2n(C)c1=O 595087278 QRWLQHQSGDBUBN-NSHDSACASA-N 384.396 -0.277 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCNC2=O)CCCCC1 595961029 IAYGRZYTHUGQNE-LBPRGKRZSA-N 392.503 -0.670 30 20 GBED COc1cc(NC(=O)C(=O)N2CCC[C@@H]2CS(N)(=O)=O)c(F)cc1C#N 599970353 MSUWQUGFBJKRTQ-SNVBAGLBSA-N 384.389 -0.076 30 20 GBED C=CCCOCCNC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)O)CC2=O)CC1 652652138 YWBJONBDDPXFQL-ZDUSSCGKSA-N 381.429 -0.381 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 685174974 XVRQZSVCISJASK-CJNGLKHVSA-N 388.472 -0.203 30 20 GBED COc1ccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OC 771890752 HQGCNRRDLRNBRI-UHFFFAOYSA-N 396.425 -0.196 30 20 GBED COC[C@@](C)(C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 821680144 AHBBWWYIASVQIP-MEBBXXQBSA-N 393.429 -0.422 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@H](C(=O)O)c2cc(OC)cc(OC)c2)CC1 833365740 QTVWLPYRUVGMGW-INIZCTEOSA-N 397.453 -0.085 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 875601149 XZPFIKJKBYEXGV-HRCADAONSA-N 381.473 -0.079 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1C 950929903 OBSZJHNTZNMWLR-TUVASFSCSA-N 390.440 -0.107 30 20 GBED C#CCOc1ncccc1C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 975225853 WOTZTDJTCCFNPS-DMRZNYOFSA-N 382.420 -0.112 30 20 GBED N#Cc1nccnc1N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1055066377 IYGQROHFEPRQPN-NRUUGDAUSA-N 377.368 -0.381 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(CC(=O)N2CCNC(=O)C2)[C@@H]1CC 1087758605 CCIAVSSTEITRCX-GGXPGOJBSA-N 392.500 -0.105 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1nnn(C(C)(C)C)n1 1109319766 FOSVBWJILAAMIJ-RDBSUJKOSA-N 375.477 -0.006 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnc2ccccn2c1=O 1109453081 QELUGZPWGJRRFF-KBMXLJTQSA-N 379.420 -0.221 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COC[C@H](C)N1CCCC1 1111038421 AGIRPSJJJUCFQK-MLHJIOFPSA-N 376.501 -0.042 30 20 GBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(CC(=O)N(C)C)nn1 1111459447 XCJWFCYOYHEKKE-FMKPAKJESA-N 376.461 -0.096 30 20 GBED N#C[C@@H](C(=O)C[C@H]1Oc2ccccc2NC1=O)C(=O)N1CCS(=O)(=O)CC1 1122408738 OLWKXTIJBWGMAS-XHDPSFHLSA-N 391.405 -0.258 30 20 GBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H]2c2ccccc2)C1 1196299936 PEKINPJSJFNGIX-FCGDIQPGSA-N 384.480 -0.758 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCNS(=O)(=O)CC)C[C@H]1OC 1213559475 HYTKTABSYHAFHQ-JJXSEGSLSA-N 389.518 -0.278 30 20 GBED C=C(Br)CNC(=O)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O 1261151138 MQUFKZTWHGJNBG-XPTSAGLGSA-N 387.234 -0.152 30 20 GBED CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CCO1 1261323183 ZDFXOUUTILXQKF-CHWSQXEVSA-N 382.417 -0.511 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1cnnn1C 1303823758 RADPGMDKDIRMHV-LLVKDONJSA-N 393.477 -0.195 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCn3cncn3)C2=O)cc1 1324035013 LLHBDGDQFCSCLX-HNNXBMFYSA-N 381.396 -0.422 30 20 GBED C#CCNC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)CC1 1324690945 SKIMECLUUCMLGM-UHFFFAOYSA-N 399.494 -0.297 30 20 GBED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1329217979 HVTNBABYHLPRMX-UONOGXRCSA-N 386.474 -0.695 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)CCNS(C)(=O)=O 1337663029 YVUCSUIYYKJCDW-UHFFFAOYSA-N 398.441 -0.470 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 1340426550 RKSIWKBHQLDCLQ-UHFFFAOYSA-N 394.431 -0.640 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F 1573288978 ZOHOZISTNJMBOE-RISCZKNCSA-N 376.392 -0.389 30 20 GBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCO2)C1 1573568246 ZYXDNBGCZLJNHU-GTNSWQLSSA-N 384.400 -0.202 30 20 GBED C=CCNC(=O)CN(C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575104972 YSQMZCGXRNVIGR-RDJZCZTQSA-N 389.504 -0.148 30 20 GBED CC(C)(C)C(=O)NCCn1c([C@H]2COCCN2)nnc1N1CCO[C@@H](C#N)C1 1575105904 BFLVTIGZUDRPSX-UONOGXRCSA-N 391.476 -0.170 30 20 GBED CC#CCN1CCN(C(=O)CCOCc2cnn[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1575121987 AGWJEYCQXJRQTO-LSDHHAIUSA-N 381.458 -0.956 30 20 GBED N#CCNC(=O)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1581858046 OGFIGBVDQPUWLR-ZIAGYGMSSA-N 383.416 -0.487 30 20 GBED N#C[C@@]12CN(C(=O)NCc3ccc(-c4nn[nH]n4)cc3)C[C@H]1CS(=O)(=O)C2 1581859423 HEUKUKQYAURAKA-BBRMVZONSA-N 387.425 -0.054 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OCCOC 1588728906 XPNSFFIWSLMVHX-LLVKDONJSA-N 376.373 -0.507 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)c(C(=O)O)c1 1601111538 AEXUMUOBNJSRRO-GXTWGEPZSA-N 379.394 -0.075 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C1 1602756737 WYIMJHMRVOXKTO-QWHCGFSZSA-N 385.432 -0.178 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1778970241 ASHKSZYIBXLBPT-ACJLOTCBSA-N 378.429 -0.735 30 20 GBED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccncc3=O)[C@H]2C1 1790579577 JLTXNEYSLIRCST-KKUMJFAQSA-N 387.440 -0.227 30 20 GBED CC[S@](=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077230 RVSKJZLHNCMILW-JKBMYWNGSA-N 384.454 -0.787 30 20 GBED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](NC)C(=O)O)C[C@@H]21 1791268554 HEJZUYDRFUUDEY-VGWMRTNUSA-N 379.457 -0.168 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ncccn13)C2 1793343286 QTFDQGBOWRTSLC-MPTYRVRUSA-N 397.435 -0.029 30 20 GBED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1 1797238291 MNXZLIIJQAQRSY-XEMDLRDOSA-N 376.501 -0.373 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OCC 1797585100 ZBDKCXMLYDNRNW-HAFSJTIUSA-N 399.444 -0.768 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnnc1O 1798379795 YAFNDTAILBNGEF-XPCVCDNBSA-N 376.413 -0.024 30 20 GBED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)n(C(F)F)n1 1798682008 NEDUGXWHRVKIAS-QHBPRCKVSA-N 396.350 -0.122 30 20 GBED CC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1800510371 LIEMRWDGHXHKHN-SPKLFNCASA-N 379.461 -0.816 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)[C@@H]1c1cccnc1 1812872866 IFCMXLDSSLAFMF-QMTMVMCOSA-N 398.419 -0.298 30 20 GBED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)C=CC2=O)n[nH]1 1822530923 AJQGYCKCUKILDR-GFCCVEGCSA-N 399.363 -0.585 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1835407565 FKVAUMOGDHSJMB-SFHVURJKSA-N 378.429 -0.631 30 20 GBED Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839713520 QKANLQNNWQMAIT-LJQANCHMSA-N 387.440 -0.048 30 20 GBED CN1CCCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039635 BCADEAHDGGHREM-KXBFYZLASA-N 393.440 -0.985 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)Nc2nc(CC(=O)OC)cs2)c1=O 42154933 ZPTROEZOGGQNFP-UHFFFAOYSA-N 377.382 -0.288 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC3(CC2)[C@H](O)C[C@H]3OCC)C1=O 266045571 UUTQKMPYVCVHCU-CHWSQXEVSA-N 379.413 -0.258 30 20 GBED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(CCS(N)(=O)=O)CC1 267542980 FMFDMDBCBCEQGJ-UHFFFAOYSA-N 383.405 -0.931 30 20 GBED C[C@@](C#N)(NC(=O)CN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O)C1CC1 268630704 OUPVWLWJYBGVJF-SFHVURJKSA-N 391.428 -0.692 30 20 GBED CS(=O)(=O)N1CCC[C@H](/N=C(/O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 328847550 YBTSVAYDKJOLAL-UONOGXRCSA-N 388.490 -0.352 30 20 GBED N#Cc1ncn(CCNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)n1 553189986 TYUTUCKXAZULMR-UHFFFAOYSA-N 390.425 -0.399 30 20 GBED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)NCc2ccccc2)CC1 567995442 KOEJZXMKIXAJSE-UHFFFAOYSA-N 395.485 -0.350 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[S@](C)=O)cc1 571581362 MVLQNSOCXIOVKJ-GANBNBROSA-N 393.512 -0.078 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1COC[C@H]1O 576359741 LBEIMQKAFGLNGA-QJPTWQEYSA-N 389.455 -0.743 30 20 GBED C#CCNC(=O)CN1CCN(CCC(=O)NC(=O)NCc2ccccc2)CC1 728570767 MJOZDTYVPTWOQQ-UHFFFAOYSA-N 385.468 -0.231 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCCN1C(=O)CNC1=O 731008056 DHGSUWNSOUEWPV-UHFFFAOYSA-N 393.425 -0.827 30 20 GBED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CC(N)=O 732564946 ULKQXGCWHNKXSN-LLVKDONJSA-N 387.465 -0.270 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C(=O)O)[C@H]1CCCOC1 762237503 PREAPIRCQZVJTB-HZMBPMFUSA-N 381.410 -0.279 30 20 GBED CC(C)[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(N)=O 767638745 WTEMDWRVPNIXSA-MFKMUULPSA-N 396.425 -0.012 30 20 GBED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCOC)c2=O)cn1 772280607 XTEOLXUPKRCKIC-UHFFFAOYSA-N 387.465 -0.119 30 20 GBED C#CCC[C@@H](O)CNC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 799082344 BOTNUKHRJVINMM-CYBMUJFWSA-N 380.422 -0.018 30 20 GBED C[C@@H](C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)NC(=O)OC(C)(C)C 799111943 NSKMMOKLGLWPOQ-VIFPVBQESA-N 389.434 -0.739 30 20 GBED COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 802411774 YLCIGMMTYUKUPU-HNNXBMFYSA-N 395.423 -0.390 30 20 GBED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(O)C2=O)cc1 816757411 RMZNRHUUOXEUQF-CYBMUJFWSA-N 383.426 -0.342 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CCNC(=O)Cc2ccccc2)CC1 831556846 VYWGFPNZIWVXPH-UHFFFAOYSA-N 392.481 -0.653 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 839526071 AHXLOSMCNUEVJL-QGZVFWFLSA-N 387.465 -0.251 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OCc3nc(C)no3)nc2)CC1 859180147 SOOMAZWDIRVGTH-UHFFFAOYSA-N 398.423 -0.141 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 872515726 TXLZFGDYRBRUMG-UHFFFAOYSA-N 379.410 -0.261 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 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C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 1117633698 HRYLLGPVGJXSGS-UHFFFAOYSA-N 394.453 -0.917 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 1118676877 SOVOIUSHPLKSCV-UKRRQHHQSA-N 380.422 -0.757 30 20 GBED CN(C[C@H](O)CN(C)c1ccnc(C#N)n1)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1125352569 GMJSWGHSEYZQSY-QDEZUTFSSA-N 375.429 -0.345 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1OCC[C@H]1C 1218650751 KOJYQWDKCUJGHD-CTASWTNQSA-N 380.445 -0.665 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1322416662 MCPJWMTUNZWFPY-UHFFFAOYSA-N 396.451 -0.883 30 20 GBED COC(=O)N1CC(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1323341308 FGVZKKGVAPORDG-HNNXBMFYSA-N 399.407 -0.263 30 20 GBED CN(C)[C@H](CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccco1 1324547104 OFMQLHOXAGHEPG-IUDBQGPFSA-N 389.412 -0.359 30 20 GBED COC(=O)[C@]1(C)CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1324578798 UXAHBZUTDZBQLB-MUSGIIIZSA-N 378.385 -0.959 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3nnnn3C3CC3)CC2)nc1 1342784075 LVODQCABLIBJPD-UHFFFAOYSA-N 381.400 -0.760 30 20 GBED CCCN(C(=O)C(=O)NCCNc1ncccc1C#N)[C@H]1CCS(=O)(=O)C1 1345023503 WHTRYNZCERMXEC-AWEZNQCLSA-N 393.469 -0.093 30 20 GBED O=C(COC(=O)c1cccc(C#CCO)c1)NC(=O)N[C@H]1CCS(=O)(=O)C1 1351495814 PXWWTLNDWLHUKL-AWEZNQCLSA-N 394.405 -0.800 30 20 GBED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCOC1=O 1360248276 OULPQCKJEZLLLI-ZDUSSCGKSA-N 391.432 -0.013 30 20 GBED CS(=O)(=O)NCCn1c(-c2cccnc2)nnc1N1CCO[C@H](C#N)C1 1555820159 YXGRSUKLLLCZCC-CYBMUJFWSA-N 377.430 -0.382 30 20 GBED C=CCN1CC[C@@H](N2CC[C@](O)(CNC(=O)CCCCc3cnn[nH]3)C2)C1=O 1575105061 ZUQHJCAZBUJCBJ-APWZRJJASA-N 390.488 -0.143 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCN2C(=O)CC(=O)NCc2cnn[nH]2)c1 1577712284 HOWCQDCFTHMKGS-ZDUSSCGKSA-N 384.400 -0.568 30 20 GBED N#Cc1cc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCN3Cc3cnn[nH]3)C2)c[nH]1 1577712479 OEBWDWYSYFMWOZ-BBRMVZONSA-N 382.428 0.000 30 20 GBED Cn1c(=O)[nH]c(N2CC[C@H](Oc3ccc(C#N)cn3)C2)c(-c2nn[nH]n2)c1=O 1581746391 DRRVNMSMLZZTGR-JTQLQIEISA-N 381.356 -0.822 30 20 GBED N#CCNC(=O)CNC1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCCC1 1581858158 SOQXTBLHXUIEFH-UHFFFAOYSA-N 385.432 -0.143 30 20 GBED C#CC[C@@H](COC)NC(=O)C(=O)Nc1cc(C(=O)O)cc(S(C)(=O)=O)c1 1588393874 LANRMRHHWVSMHN-NSHDSACASA-N 382.394 -0.119 30 20 GBED C=C[C@@](C)(O)CC(=O)N1CCC[C@](CO)(Nc2cnc(-c3nn[nH]n3)cn2)C1 1588502975 VOFDRXMTLZCWLS-SJORKVTESA-N 388.432 -0.251 30 20 GBED CN(CCC#N)C[C@@H](O)CN[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1=O 1591062349 WOIKFMKNENBCOR-DLBZAZTESA-N 398.471 -0.236 30 20 GBED COC(=O)[C@H](COC1CCC1)N(C)C(=O)CCn1cc(C#N)c(O)nc1=O 1636221074 QQFFLGXHXGAAAO-ZDUSSCGKSA-N 378.385 -0.220 30 20 GBED N#CCCN1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 1642916310 WKVJIIOQGMJHNH-CYBMUJFWSA-N 381.458 -0.790 30 20 GBED COCCN(C)CCCn1c([C@H]2CCC(=O)N2)nnc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-0.365 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1840479813 DDIGVJDURYVSNG-PBHICJAKSA-N 376.417 -0.896 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 24945036 XYVPIQRYLKVEAM-LBPRGKRZSA-N 399.473 -0.002 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(CC(=O)NC)CC2)cc1 25233458 MWORMNXEYVVMGV-UHFFFAOYSA-N 392.481 -0.462 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 293105761 WVTARKJARSYOIC-LBPRGKRZSA-N 390.487 -0.019 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3CCNC(=O)[C@@H]3C)CC2)c1C#N 298635136 KFYHEUQAYNMCHK-NSHDSACASA-N 376.442 -0.681 30 20 GBED Cn1cc([C@@H]2CS(=O)(=O)CCN2CC(=O)N/C(O)=N/CC(F)(F)F)cn1 331163172 FYSMYNJMFUKUJY-JTQLQIEISA-N 397.379 -0.216 30 20 GBED COc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)nc1 348338096 FCCOWTXLIGNCEC-UHFFFAOYSA-N 389.459 -0.208 30 20 GBED CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)C(=O)[C@H]1C 349512923 WCFVAZLHFLMQMP-OLZOCXBDSA-N 394.519 -0.567 30 20 GBED CC(=O)N[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)C1 349516433 CZVPWPABMQLGLT-CYBMUJFWSA-N 394.519 -0.520 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H](C)C#N)ccc1C#N 349571754 GUIYKXFFODJTMH-NSHDSACASA-N 385.471 0.473 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 349621639 QMNTTXSBGURBCK-VQJWOFKYSA-N 391.515 -0.417 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2COC[C@H]2OC)cc1 411717883 PKIABMCGEUPNJN-LSDHHAIUSA-N 397.453 -0.038 30 20 GBED Cc1cc(C#N)cc(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)c1 415862390 PWDXKHRBIJGZQM-UHFFFAOYSA-N 391.453 -0.749 30 20 GBED C=CCNC(=O)CN1CCN(Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)CC1 506273828 ROVIFMGOEILVCT-SFHVURJKSA-N 395.529 -0.163 30 20 GBED C=CCOC[C@@H](NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12)C(=O)OC 552587287 AUILRLLJYIIJES-GFCCVEGCSA-N 396.425 -0.298 30 20 GBED N#CCc1ccc(CS(=O)(=O)N2Cc3nnc(O)n3C[C@H]2C(=O)O)cc1 566241308 XRSMTGPYWQSIDU-LBPRGKRZSA-N 377.382 -0.151 30 20 GBED N#CCNC(=O)CNC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 575856204 OLSJMCPYGUBSPR-LLVKDONJSA-N 385.471 -0.302 30 20 GBED COC(=O)CNC(=O)CNS(=O)(=O)c1ccc(C#N)c(Br)c1 584046369 BOAUJNLTLFKEPB-UHFFFAOYSA-N 390.215 -0.112 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cnn(C[C@H](O)CO)c3)C2=O)cc1 597563152 QKUNJOIRSBKKCK-DLBZAZTESA-N 383.408 -0.361 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1 646952108 YUPRVNPLMGDDDF-LBPRGKRZSA-N 383.426 -0.104 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)OCC(C)C)CC2)C1=O 749273101 SVGCKLLBSHULDF-UHFFFAOYSA-N 380.401 -0.100 30 20 GBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1n[nH]c(C)c1C(=O)OC 751029336 WLTYCJKGRSMBHW-SNVBAGLBSA-N 377.444 -0.131 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cnn(CCOC)c2)c1=O 758049670 IGJYSOBJCVHXLL-UHFFFAOYSA-N 399.476 -0.585 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc(C)nn2C(C)(C)C)CC1 761033329 UPUGKKYRTXPRQZ-UHFFFAOYSA-N 396.517 -0.030 30 20 GBED COc1cccc2c1CCC2=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771889644 BEOBJCUMBXQZGZ-UHFFFAOYSA-N 378.410 -0.279 30 20 GBED Cn1ccnc1[C@@](O)(CCNS(=O)(=O)N1CCO[C@H](C#N)C1)C(F)(F)F 800056301 LHOLZQKWKUMMSH-PWSUYJOCSA-N 397.379 -0.381 30 20 GBED C[C@H](CC(=O)NCC(=O)N1CCNCC1)/N=C1/NS(=O)(=O)c2ccccc21 832409326 GRCIFJCOZCMLLR-GFCCVEGCSA-N 393.469 -0.948 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN(CC(F)F)CC2)CC1 892508856 XMQXKQMAOTVRQL-UHFFFAOYSA-N 393.460 -0.489 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2cn3c(n2)SCC3)CC1 894258016 GMLIBHJFVGCRNK-UHFFFAOYSA-N 398.514 -0.674 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c(C)nn3cccnc23)C[C@@H]1O 970711357 CVSKLXBYEZAEEW-KBXIAJHMSA-N 385.424 -0.070 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 1057735412 UQTMOZMWMDLDAP-WCXIOVBPSA-N 383.489 -0.376 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCC(=O)N2CCN(C(C)=O)CC2)[C@H](C)C1 1082752308 BECYVFCUPRRTPY-DDBAPUKQSA-N 392.500 -0.295 30 20 GBED COCC#CCN1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1108476350 KEOGIWCWKBULJP-TXCZRRACSA-N 392.481 -0.527 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN(C)S(C)(=O)=O 1109414676 GELQKIXDUPQEDA-QZWWFDLISA-N 382.530 -0.303 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1CN(C(C)=O)C1 1110482020 PWOGZMBDHNQUJO-ZACQAIPSSA-N 375.473 -0.052 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2CC#Cc2ccccc2)CC1 1120124371 ZOGFZSWYGHXMIN-UHFFFAOYSA-N 385.453 -0.686 30 20 GBED C=CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 1129060922 YDEPCAXIWJHOTR-XOUADPBQSA-N 384.444 -0.551 30 20 GBED N#Cc1cn(CC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c(=O)nc1O 1137593126 MBJIIZIQMJNMAB-SJORKVTESA-N 397.435 -0.180 30 20 GBED CS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 1261117516 YJRITXPOIKQVPW-HNNXBMFYSA-N 376.438 -0.234 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NC2CCN(CC(=O)NCCC)CC2)nn1 1261445848 KRBNGQZBIDPDCG-UHFFFAOYSA-N 391.476 -0.813 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCCN(c2nccs2)CC1 1323714243 VPFKODFQUBFGMO-UHFFFAOYSA-N 386.499 -0.101 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 1325475000 VVIBKPFXWXAAIH-UHFFFAOYSA-N 382.468 -0.410 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N[C@H]1CCN(c2ccccn2)C1 1326598346 YDRHVQUSLZCWHI-WPCFGXOUSA-N 398.423 -0.581 30 20 GBED C#CCN(C)C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 1340071789 BMYAWOUMIFPCEG-UHFFFAOYSA-N 379.442 -0.807 30 20 GBED CNC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 1342621081 JLLDRZJRWHHQNE-HNNXBMFYSA-N 392.437 -0.392 30 20 GBED CO[C@@H](C(=O)NCC#CCNC(=O)[C@H](OC)c1cnn(C)c1)c1cnn(C)c1 1344549600 RFOCFWFVNZCROA-HZPDHXFCSA-N 388.428 -0.535 30 20 GBED C=C(C)COCCNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 1346200967 TZYQVESZEBPWGO-UHFFFAOYSA-N 375.491 -0.680 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2[C@H]2CC[C@H](SC)C2)CC1 1352558032 NDUPTJQVYXIENO-STQMWFEESA-N 385.519 -0.281 30 20 GBED C[C@@H](C#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 1571235594 KBTGOZJURUVRFH-GTNSWQLSSA-N 384.400 -0.202 30 20 GBED C#CCNC(=O)CC(=O)NCCC[C@@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1573285419 HTCXJWNZNZBGSI-LLVKDONJSA-N 386.416 -0.651 30 20 GBED C#CCOCCC(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[nH]n2)C[C@H]1O 1573286610 GEHHQUBQKJBVTI-NWDGAFQWSA-N 391.457 -0.273 30 20 GBED C#CCN1CCC(C(=O)NC[C@@H](C)N[C@@H](C)C(=O)NCc2cnn[nH]2)CC1 1574966409 BJZUHOYESZBPRX-KGLIPLIRSA-N 375.477 -0.751 30 20 GBED C=CCCOCC(=O)NC[C@@]1(C)CN(c2cncc(-c3nn[nH]n3)n2)CCO1 1588616114 WGMMUMAEYUGFMJ-KRWDZBQOSA-N 388.432 -0.039 30 20 GBED C=CCOCCCC(=O)N[C@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O 1588683226 ZPPFMGHEIHKNTR-JSGCOSHPSA-N 388.432 -0.305 30 20 GBED N#CCSCC(=O)N1CCC(O)(CNc2cnc(-c3nn[nH]n3)cn2)CC1 1592680052 CMZZTTOZSQFIRQ-UHFFFAOYSA-N 389.445 -0.321 30 20 GBED CN(CCC(=O)O)S(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1598471540 SNVVKNRKNJHYGG-CQSZACIVSA-N 380.426 -0.100 30 20 GBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC(C#N)(C(=O)O)CC1 1600771453 VUMWUCZJNRLVEV-NSHDSACASA-N 397.457 -0.079 30 20 GBED C=C[C@](C)(O)CC(=O)NCCN1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1602794486 UAORQNYQYTTXCG-SFHVURJKSA-N 386.460 -0.173 30 20 GBED N#Cc1ccc(OCC(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)cc1Br 1630581325 RVYAHEFNEWTZOW-GHMZBOCLSA-N 395.213 -0.255 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1778781481 DXVLTWGXEOJXRP-SJKOYZFVSA-N 380.401 -0.815 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccccn3n1)CCO2 1783561941 QXQJXTAEZNTCIQ-LJQANCHMSA-N 382.376 -0.134 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CC(N)=O)C[C@@H]21 1784477815 NYYPPSZOCKWVMW-OWYFMNJBSA-N 379.457 -0.484 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784593016 VSDVZSHHINQPHW-VBQJREDUSA-N 376.417 -0.898 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1793342276 CATBYASYJNVENR-MBMVNNNZSA-N 389.408 -0.266 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(F)cc1 1795198549 NTABFBRTKZCRLW-DBWKPXFBSA-N 390.367 -0.118 30 20 GBED CC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797810001 JVCRHXVRKYODRW-ZCIZESAZSA-N 383.445 -0.124 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C(=O)C(=O)O 1801328081 NFMNDHXCPZQPSQ-YIYPIFLZSA-N 381.429 -0.241 30 20 GBED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835346858 XNDRFCOMKBAOFQ-CECLQJIQSA-N 390.440 -0.214 30 20 GBED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1839649107 YGNDWBIGGSBYNC-SEZUTPLYSA-N 385.486 -0.199 30 20 GBED COc1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840157794 AWXCGCBOKUMFIO-PXAZEXFGSA-N 396.469 -0.127 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2 1845253853 HVVYHAPOHYEYLO-ZBFHGGJFSA-N 382.461 -0.359 30 20 GBED N#Cc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@@H]2NC(=O)NC2=O)cc1 1847307419 SEQNIVBCFPDFAF-JYJNAYRXSA-N 395.419 -0.099 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C(=O)NC)C2)ccc1F 273101360 MDQISSSYMLTATG-CYBMUJFWSA-N 385.417 -0.123 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](S(C)(=O)=O)C1 282106706 KNHCNZLPZNVYPT-FZMZJTMJSA-N 385.467 -0.129 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(/C(O)=N/CCC3(O)CCC3)CC2)CC1 328853679 CEEDHABBLJTSIH-UHFFFAOYSA-N 389.522 -0.685 30 20 GBED COCCN(/C(O)=N/[C@@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCS(=O)(=O)C1 329273300 IDBYXWCZVOCDTG-OLZOCXBDSA-N 397.519 -0.540 30 20 GBED COCc1nc2n(n1)C[C@H](/N=C(/O)N(C)[C@H]1CCN(S(C)(=O)=O)C1)CC2 330199173 UZKVDSWCEZGGCX-NEPJUHHUSA-N 386.478 -0.381 30 20 GBED CCNC(=O)CN1CCN(/C(O)=N/[C@H]2CCN(CC(F)(F)F)C2=O)CC1 330733538 KEIAYGHJRQJJKS-NSHDSACASA-N 379.383 -0.183 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 349516504 DGABOXVNHITQJN-LLVKDONJSA-N 388.475 -0.013 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CCO1 409552049 FXNVARYQHTVKTQ-LBPRGKRZSA-N 385.446 -0.700 30 20 GBED CCN1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@H](C)C1=O 410713383 INCRAJFIJVLECW-CQSZACIVSA-N 384.440 -0.319 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)NCCCN3C(=O)CCC3=O)CC2)c1C#N 472098411 RYIOCOZNYPLWSS-UHFFFAOYSA-N 387.444 -0.029 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]3CCO)CC2)c1C#N 521989929 HQPBIQMNZDUWMB-GOEBONIOSA-N 388.472 -0.084 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C(=O)NC)Oc3ccccc32)C1=O 523386537 BEHROPSKUMXHHO-ZDUSSCGKSA-N 386.364 -0.497 30 20 GBED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1 533320384 NUMPFPCJUKHEHK-UHFFFAOYSA-N 375.433 -0.676 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](CO)Cc2ccncc2Cl)C1=O 550105482 IPKJZPIODQPRJT-LLVKDONJSA-N 394.815 -0.021 30 20 GBED COCCN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)Nc1ccn(CCC#N)n1 594307818 JQZBHAISBHWYOT-SNVBAGLBSA-N 377.323 0.133 30 20 GBED CO[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 594622617 NQOJBWOKLWLLOR-CHWSQXEVSA-N 375.428 -0.819 30 20 GBED C=C(C)Cn1c(COC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 670219999 UQKWVDZZDFDUPV-UHFFFAOYSA-N 392.460 -0.492 30 20 GBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 756743894 ADSISFQMAZZEBU-NWDGAFQWSA-N 385.446 -0.362 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(C#N)o2)c1=O 758075453 IAHSEIUQYVAFQZ-UHFFFAOYSA-N 396.428 -0.337 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccn(C)c2)c1=O 763466532 RCCBNUWJRQPGLI-UHFFFAOYSA-N 398.488 -0.073 30 20 GBED N#CC1(NC(=O)COC(=O)/C=C\C(=O)OCC(=O)NC2(C#N)CCC2)CCC1 784188575 UKWMTBPNSODQDH-ARJAWSKDSA-N 388.380 -0.246 30 20 GBED CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(CC(N)=O)C(=O)C1 819562247 VOFCQXSNHCOSSQ-LBPRGKRZSA-N 381.433 -0.270 30 20 GBED N#Cc1cnn(C(=O)c2cccc(C(=O)n3ncc(-c4nn[nH]n4)c3N)c2)c1N 826387686 KYYIHAURWDELOV-UHFFFAOYSA-N 389.339 -0.327 30 20 GBED C[C@H]1CN(CCC(=O)O)CCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 833626309 PPPWIYJDOGFOOW-VVLLMFOMSA-N 379.417 -0.297 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H]2CNC[C@H]2C#N)c1 834504382 APOYWMKTYQVIMV-TZMCWYRMSA-N 381.458 -0.893 30 20 GBED CN(CCC#N)S(=O)(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 917929713 CXIGACYQMFLBPU-UHFFFAOYSA-N 389.478 -0.254 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@@H]1O 964193639 OJFIAJXEFITOAQ-RCJHGTSTSA-N 389.452 -0.093 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@@H]1O 964614016 TUZCSDBETWNYDH-WCVJEAGWSA-N 390.440 -0.698 30 20 GBED C=CCCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCO[C@H]3C=C)C2)nn1 970711375 DKVAXOCJKHMMAX-VDERGJSUSA-N 375.429 -0.253 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ncn(C)c1=O 1003143958 CLSKLXHSGITTJS-SUJAAXHWSA-N 389.456 -0.189 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1O 1023960838 WGZXXVDXTAVRDE-TUVASFSCSA-N 393.440 -0.805 30 20 GBED Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1Nc1ccc(C#N)nn1 1052750635 WYNYSVJFSSCRBN-XJFOESAGSA-N 380.412 -0.390 30 20 GBED N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)CN1C(=O)CCC1=O 1108951931 KWSCEVZZRBVVQH-RFGFWPKPSA-N 380.470 -0.525 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1nccn1 1110601239 OUHWAXMZFRAAMQ-SYQHCUMBSA-N 375.433 -0.600 30 20 GBED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1116608201 ZKHNSSWAYVWRGW-LBPRGKRZSA-N 380.426 -0.097 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1117315211 VGBKRFFLODDOMO-ZCXUNETKSA-N 396.403 -0.043 30 20 GBED C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1174913362 WEQZJPJELPPJFK-CQSZACIVSA-N 387.318 -0.120 30 20 GBED CN(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)cc1 1220046371 YORFVTDRXFAJHL-MLHJIOFPSA-N 385.468 -0.343 30 20 GBED N#Cc1ccc(S(=O)(=O)CCN2CCN(C(=O)N3CCOCC3)CC2)nc1 1261138985 CIMAOBRFWKRCNP-UHFFFAOYSA-N 393.469 -0.203 30 20 GBED COCC(=O)NC1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1317908817 KZDUPLBIXUHTIS-UHFFFAOYSA-N 394.453 -0.521 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)n1 1319914826 AMMBCZATTYNFTD-LLVKDONJSA-N 396.473 -0.154 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)COC)cc1 1323687677 DUUAQLZBCVWZEQ-UHFFFAOYSA-N 383.426 -0.073 30 20 GBED Cn1ncc2c(N3CCN(C(=O)C(=O)N4CC[C@@](F)(C#N)C4)CC3)ncnc21 1325048021 MEOBBUVGQMHGCB-QGZVFWFLSA-N 386.391 -0.524 30 20 GBED C#CCN1CCC[C@H](NC(=O)N(CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 1337015536 FOXGSJGIRIQMCN-LSDHHAIUSA-N 384.502 -0.581 30 20 GBED C#CCN1CCC(c2nnc(N3CCS(=O)(=O)CC3)n2CCOC)CC1 1343217732 TWZJLYBZOQWHAF-UHFFFAOYSA-N 381.502 -0.028 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1347639014 CBXFFHJICWOJSX-BZUAXINKSA-N 391.449 -0.020 30 20 GBED C=CCn1c([C@H]2CC(=O)N(C)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1350529366 BFZNMENXLXALEX-AWEZNQCLSA-N 375.477 -0.380 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2CCc2sccc2C)CC1 1352403073 NIUJNGPHQUCUHK-UHFFFAOYSA-N 395.514 -0.125 30 20 GBED COC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cn1c(=O)c(C#N)c(C)n(C)c1=O 1559448797 QHVDPBLJSNDRJA-MRXNPFEDSA-N 396.403 -0.146 30 20 GBED C=CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)[C@H](O)C(C)C)CC1 1575103510 FIGIREXSZMPQHD-QGZVFWFLSA-N 378.477 -0.083 30 20 GBED C#CCNC(=O)[C@@H](C)N1CC[C@H](CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353134 HRZJSRLGGCKICW-OLZOCXBDSA-N 384.444 -0.226 30 20 GBED CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](Cn2cncn2)C(=O)O)c1 1588932219 MDHVXSJOJLJBNO-AWEZNQCLSA-N 376.394 -0.042 30 20 GBED C#CCNC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 1602722571 YVGAJDBPQFMZLK-UHFFFAOYSA-N 375.414 -0.484 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCO)CCNc1nccnc1-c1nn[nH]n1 1602769654 DJYAVUDPCQVYLN-JSGCOSHPSA-N 388.432 -0.129 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@]2(O)CCN(c3ccc(-c4nn[nH]n4)nc3)C2)c1 1606357204 JRJRYMBILCVZDN-QGZVFWFLSA-N 379.384 -0.167 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@H]3C[C@H](C(=O)O)C3)C2=O)cc1 1608205255 YYAKVMLDMNNPFD-KKUMJFAQSA-N 384.392 -0.245 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)O)c1 1609162061 BJUJABUZBVCHPU-ZDUSSCGKSA-N 379.394 -0.987 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)CN2CCNC(=O)C2)C1 1757364381 MWOJCGAVRWQNNM-RCJHGTSTSA-N 392.500 -0.200 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1778129767 BZIDTZVFPORBIV-ZRGWGRIASA-N 378.473 -0.131 30 20 GBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(c1)n(C)c(=O)n3C)CCO2 1783050327 QSQFUMCZPMYMQF-FQEVSTJZSA-N 382.420 -0.046 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783152931 XLVYVRUOBVPWID-SFHVURJKSA-N 379.461 -0.636 30 20 GBED Cn1nc2c(c1C(=O)N1CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C1)CCC2 1783565215 KBGUPYIOICVANC-LJQANCHMSA-N 386.408 -0.560 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(F)n3)[C@H]2C1 1788870252 YVDJZBLKGNVYPD-OBJOEFQTSA-N 375.356 -0.098 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)C2)[C@H]1c1cccnc1 1812880401 NFUQDWFPVDKEAT-DEYYWGMASA-N 384.392 -0.689 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2 1831022931 DRSHPQHTOJLXQB-IBGZPJMESA-N 393.440 -0.302 30 20 GBED CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1832285715 KYLWWGDJYRAHRV-FQEVSTJZSA-N 391.468 -0.275 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1835441127 CJCNWZYJWVWWCJ-SFHVURJKSA-N 380.445 -0.921 30 20 GBED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2 1836476601 DJYKIUSPTXJQHN-PXNSSMCTSA-N 393.484 -0.046 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccc(OC)cc3)C2)C1 1839805114 CMJBLUINZOCRSK-AZUAARDMSA-N 388.420 -0.182 30 20 GBED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841237255 HNTCDMLJHZQWRK-LBPRGKRZSA-N 381.429 -0.583 30 20 GBED COc1ccccc1C(=O)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 25574026 BCPNLDGRQQIBEH-UHFFFAOYSA-N 383.408 -0.073 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)CC2)o1 29714641 AITOXGFUDQCAND-CYBMUJFWSA-N 381.458 -0.378 30 20 GBED C=CCN(C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)[C@@H]1CCS(=O)(=O)C1 264435827 RKBUYXVEAYXWBP-RISCZKNCSA-N 385.467 -0.082 30 20 GBED N#Cc1ccc(OC[C@H](O)CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 265370644 OLOHXPKLTXKIFE-NJAFHUGGSA-N 395.481 -0.615 30 20 GBED C=CCNC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C)c(C)c1 273103853 MQBYIUBJQXNAPT-ZBFHGGJFSA-N 395.481 -0.154 30 20 GBED CS(=O)(=O)NC[C@@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 290069802 VYMABOICKDBIAN-AWEZNQCLSA-N 386.499 -0.012 30 20 GBED CN(CCN1CCOCC1)C(=O)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 297908859 YTANYJQJQLWFKN-INIZCTEOSA-N 387.440 -0.276 30 20 GBED CN1CCN(C(=O)c2cc(N=C(O)N[C@@H]3CCS(=O)(=O)C3)ccn2)CC1 329298135 UKCCEGWUJBCSEU-CYBMUJFWSA-N 381.458 -0.209 30 20 GBED Cc1ccc(C(=O)N2CCN3CCOC[C@H]3C2)cc1S(=O)(=O)NCC#N 332488389 BLPXDGUYUPJRIH-OAHLLOKOSA-N 378.454 -0.047 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[S@](=O)C[C@@H](C)C1 349456935 JVWXFQCUTCLGJP-MZFXBISCSA-N 399.560 -0.372 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[S@](=O)CC[C@H]1C 349463418 VAPQUZOPKBSMCX-GIYNXVAASA-N 399.560 -0.277 30 20 GBED CN(C)C[C@@H](O)COc1ccc(NS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1 410136173 QNLADENHHWSEGA-ZBFHGGJFSA-N 384.458 -0.131 30 20 GBED C=CCOC[C@@H](NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)OC 435935698 KABDQVZANCAKFN-PXAZEXFGSA-N 397.428 -0.538 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3C(N)=O)n2)cc1 440956466 YJOPCLSKUAKKSR-GJZGRUSLSA-N 395.423 0.297 30 20 GBED COCC(=O)N1CCN(C(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CC1 459922333 YUFSJEDXSGKZPH-UHFFFAOYSA-N 399.451 -0.476 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)CC2)c1C#N 472076968 UMKMDGYGHKCROR-GXTWGEPZSA-N 375.433 -0.535 30 20 GBED COC(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC#N)c(OC(F)F)c1 509001293 WIHKVTLSIDZCAX-UHFFFAOYSA-N 384.295 -0.231 30 20 GBED C[C@@H]1CN(S(=O)(=O)N2CCN(CC(=O)NC3(C#N)CCC3)CC2)C[C@@H](C)O1 527128228 XWOTYSKBHNBINQ-HUUCEWRRSA-N 399.517 -0.480 30 20 GBED CNS(=O)(=O)N1CCN(C(=O)CCc2c(C)nc(O)c(C#N)c2C)CC1 557035728 IILUBJFCCGRMGL-UHFFFAOYSA-N 381.458 -0.183 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCNC(C)=O)C2CCSCC2)C1=O 558816348 SBKUUJRDXYFZDI-UHFFFAOYSA-N 396.469 -0.177 30 20 GBED Cc1ccc(C(=O)N2CC(N3CC[C@@H](O)C3)C2)cc1S(=O)(=O)NCC#N 593855995 TYNAVOBZXKEAPM-OAHLLOKOSA-N 378.454 -0.312 30 20 GBED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H](O)[C@@H]2CCCO2)c1 600760357 JIAUUQJTRJDGMN-KBPBESRZSA-N 389.455 -0.693 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 609457514 DTFZLYUOGPAABL-ROUUACIJSA-N 391.516 -0.141 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccncc2OCCN(C)C)C1=O 685198484 VNAAFPZRVGWBDM-UHFFFAOYSA-N 389.412 -0.385 30 20 GBED COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NCCNc1ncccc1C#N 787787781 ORGONBNOBVAPDV-HUUCEWRRSA-N 391.428 -0.582 30 20 GBED CCN(CCC#N)C(=O)COC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 789116993 IRFXDVVQQFGZRQ-KRWDZBQOSA-N 394.428 -0.093 30 20 GBED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1 795159954 JBICPZVQMANXCH-UHFFFAOYSA-N 396.512 -0.218 30 20 GBED CC(C)(C)OC(=O)N1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)[C@H](C#N)C1 819933353 OKKTZMJNZSLMSI-SNVBAGLBSA-N 388.392 -0.570 30 20 GBED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OCC(=O)O)cc2)c1=O 833379344 ANAOTBFBXMAYFT-UHFFFAOYSA-N 399.428 -0.192 30 20 GBED CC(C)(CN1CCOCC1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 840524782 VTECJDIFTUWBHY-UHFFFAOYSA-N 380.470 -0.048 30 20 GBED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cnc(N)nc3N)nc2)CC1 842520656 OFIJAWDHTPWQLB-UHFFFAOYSA-N 391.461 -0.582 30 20 GBED N#C[C@@H]1CNC[C@H]1NC(=O)CNS(=O)(=O)c1cccc(Br)c1 843461668 WCWQYEHXNWZLAO-BXKDBHETSA-N 387.259 -0.045 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3ccc(O)nc3=O)[C@@H]2C1 973056070 RBLBMFTZCKTILC-TUVASFSCSA-N 388.424 -0.401 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1 1023662635 XTLNRXAXNOARSG-TUVASFSCSA-N 380.445 -0.944 30 20 GBED CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncc(C#N)cc1F 1092898402 HEMPEBXRJPDILW-WXHSDQCUSA-N 382.421 -0.628 30 20 GBED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CCc2nnc(O)nc2O)n1 1093061505 XLCDQUFJEAPILX-JLLWLGSASA-N 382.384 -0.197 30 20 GBED C#CCNC(=O)CNCC[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C 1104430967 JHIQCVDJCDJCLF-VQHPVUNQSA-N 392.500 -0.377 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc(-n2cncn2)nc1 1110876273 GDLDOSVNOTWARK-KFWWJZLASA-N 380.412 -0.363 30 20 GBED C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCCN1C(=O)c1ccc(O)nn1 1320142041 BQAMMSCFLPWHEP-CYBMUJFWSA-N 382.442 -0.106 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)CC1 1322803071 XAQSNBCBNHJHBD-CQSZACIVSA-N 377.445 -0.752 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C)C1=O 1325676349 DARBGJBSALGVJD-GFCCVEGCSA-N 388.490 -0.934 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c1cccs1)[C@@H]1CCCO1 1329626997 SHBCHOQSZSDCDS-NEPJUHHUSA-N 385.467 -0.560 30 20 GBED CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C(=O)N1CCN(C3CC3)[C@H](C#N)C1)CC2 1332019451 PBFOVUQINLWDJR-IXDOHACOSA-N 390.484 -0.036 30 20 GBED N#Cc1ccc(CCNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 1333382521 SISPMTYPOZQSSH-UHFFFAOYSA-N 397.479 -0.016 30 20 GBED C=CCn1c(CN2CCC(O)CC2)nnc1N1CCN(C(=O)COC)CC1 1338957352 QUASDMRABHRXBJ-UHFFFAOYSA-N 378.477 -0.284 30 20 GBED C=CCn1c([C@H](C)CO)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1340489598 ATWBJPTXVOEVBY-CQSZACIVSA-N 376.461 -0.169 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NCCS(=O)(=O)CC2CC2)n1 1343167811 BOZKJKRCEDKSOM-UHFFFAOYSA-N 380.470 -0.194 30 20 GBED N#CCNC(=O)CNC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F 1346616819 DLWWWWIMGNSOMT-UHFFFAOYSA-N 381.339 -0.504 30 20 GBED Cc1c(C#N)c(=O)n(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(=O)n1C 1559448738 NOMHSSZJKDCGKM-UHFFFAOYSA-N 376.394 -0.231 30 20 GBED C#Cc1cncc(C(=O)NC[C@@]2(O)CCN(c3cncc(-c4nn[nH]n4)n3)C2)c1 1573291455 DKMWVAIHVBDQDP-SFHVURJKSA-N 391.395 -0.596 30 20 GBED C#CCNC(=O)CC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H](C)OCc1cnn[nH]1 1575004164 AOLDKWQALQQDEV-HIFRSBDPSA-N 390.444 -0.653 30 20 GBED C=C(C)[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O)OCC 1602753791 UKEHDKJWLHCTQK-MGPQQGTHSA-N 388.432 -0.306 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O 1602769662 DPTWEQWDTDVUNZ-OPDFLTKYSA-N 386.416 -0.696 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cccc(C(=O)O)c2)c1=O 1609470199 JEGICJSHBBCQLS-UHFFFAOYSA-N 386.364 -0.119 30 20 GBED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1 1729742514 OIGNTBHOSBAXGC-UHFFFAOYSA-N 389.441 -0.698 30 20 GBED COCC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1749614110 KKXGAVVNFKUAAF-KDOFPFPSSA-N 392.460 -0.083 30 20 GBED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1 1781317401 MBDFJKZMUNTTDN-RIYWLQNKSA-N 399.444 -0.646 30 20 GBED CN1CC(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)C1 1784783356 TXIMAUUKDXNIJI-CYGOOPLXSA-N 394.472 -0.093 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1788572647 MNPBFJRMPMBIDC-AJNGGQMLSA-N 392.460 -0.774 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2nc[nH]c12 1796145529 JZVSJSQJICDLML-DPIQGUFMSA-N 382.376 -0.146 30 20 GBED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1797646204 CYGYUSOWNSRRQC-WXQHOCMDSA-N 392.500 -0.063 30 20 GBED C[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)n1cnnn1 1830063940 AZJRLPSWPGKKNB-GUYCJALGSA-N 391.432 -0.760 30 20 GBED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)n1cncn1 1831225443 UGIGULQEKUTJOL-DNVCBOLYSA-N 387.440 -0.291 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1832451678 JIGLTVQAMQJPFD-RDTXWAMCSA-N 397.497 -0.359 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1832463238 ROAGDZJMLYBPFM-MRXNPFEDSA-N 386.474 -0.970 30 20 GBED COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cn1 1834760877 RMXWIQPCFOXWED-QGZVFWFLSA-N 375.385 -0.531 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1835364289 PHUYYTZJVKZOME-KRWDZBQOSA-N 376.417 -0.572 30 20 GBED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)N3CCN(C)CC3)CC2)CC1 1836375890 JMFMVFTYICAINB-QGZVFWFLSA-N 389.544 -0.173 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)OC)C2)C1 1839810950 YWCLMWDOADCMQV-GQIGUUNPSA-N 390.436 -0.169 30 20 GBED N#CC1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CCS(=O)(=O)CC2)CC1 1848069745 BBULPJFYTBOBIN-KBPBESRZSA-N 380.470 -0.778 30 20 GBED CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)cc2)CC1 264327912 BGLMLBJROBOKDK-QGZVFWFLSA-N 399.451 -0.307 30 20 GBED C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 282382128 VCIXPMKQLZUUQO-CYBMUJFWSA-N 389.460 -0.471 30 20 GBED COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NCCn2cnc(C#N)n2)c1 285604221 MFJLMPMVIHLTDW-UHFFFAOYSA-N 393.381 -0.299 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 286629733 MIGWOYJJQFYSQW-INIZCTEOSA-N 388.472 -0.202 30 20 GBED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 293209098 BBRLUBZSONMCFB-HNNXBMFYSA-N 384.436 -0.098 30 20 GBED C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(C)(=O)=O 298567412 AMXMVZYFKDGWHK-GFCCVEGCSA-N 385.467 -0.176 30 20 GBED Cn1cc(N2CC[C@H](N/C(O)=N/CC3CCN(S(C)(=O)=O)CC3)C2=O)cn1 328678350 MLUGLTKDBPVJGA-AWEZNQCLSA-N 398.489 -0.299 30 20 GBED COCc1nc2n(n1)C[C@H](/N=C(/O)N1CCN(C(=O)[C@H]3CCCO3)CC1)CC2 329784952 WOALCOYQEGTVGO-ZIAGYGMSSA-N 392.460 -0.024 30 20 GBED O=C(CC1(O)CCCC1)N1CCN(C/C(O)=N/[C@H]2CCS(=O)(=O)C2)CC1 329870730 BWKFFAHEUDKVHP-AWEZNQCLSA-N 387.502 -0.031 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(=O)N(C2CC2)C1 349464097 ZXYHGEPGEJUVGN-UHFFFAOYSA-N 398.466 -0.217 30 20 GBED CN1CC[C@H]2CN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)C[C@H]21 349465341 KQJNDPQCIDXRSM-UONOGXRCSA-N 392.547 -0.094 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCC(F)(F)[C@H]1O 349541834 WLLYTFUTBNIQCD-MNOVXSKESA-N 389.446 -0.370 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCOC2)c1C#N 349603165 MUOWYIMYJHQFNY-NSHDSACASA-N 391.475 -0.323 30 20 GBED COc1cc(C#N)ccc1S(=O)(=O)NCCNS(=O)(=O)NC(C)C 428413980 RUTSIPNCUNBZGN-UHFFFAOYSA-N 376.460 -0.322 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1ncc(C#N)cc1Cl)C2 530333935 ZIEHKUQPDVSXQG-UHFFFAOYSA-N 389.803 -0.291 30 20 GBED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)nc1 551194311 RZZAFCPZUJELIH-ZDUSSCGKSA-N 377.426 -0.082 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@@H](C(N)=O)C2)c1 594631487 LWVOAAIIQWHTHZ-GARJFASQSA-N 386.455 -0.581 30 20 GBED N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H]3CCCN(S(N)(=O)=O)C3)C2)nc1 597685363 RDFIKLLVBUAAHB-KBPBESRZSA-N 379.442 -0.152 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)CC2)nc1 612771666 DRHHNAFITHPNHP-CQSZACIVSA-N 383.412 -0.132 30 20 GBED N#C[C@@]1(F)CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 615591515 YBCLBHBYOOUERT-INIZCTEOSA-N 380.401 -0.115 30 20 GBED CCN(C[C@H](C)C#N)C(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745479208 RXZSULWHKCIBOG-QRUUQIEESA-N 377.397 -0.300 30 20 GBED C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 765904188 MDCBNNLLSDYWEF-LLVKDONJSA-N 378.360 -0.282 30 20 GBED COc1ccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1F 771898552 ZLXPSYQGOKUYOD-UHFFFAOYSA-N 384.389 -0.066 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 773190403 RAXNZGMVMYMAFR-VXGBXAGGSA-N 375.447 -0.010 30 20 GBED Cn1cc(S(N)(=O)=O)cc1C(=O)OCc1cc(O)n2ncc(C#N)c2n1 782202081 WXUKJXYJJAOQCC-UHFFFAOYSA-N 376.354 -0.351 30 20 GBED C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCNc1ncccc1C#N 787777302 LJGVXHPEHHARSE-AWEZNQCLSA-N 388.472 -0.215 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](N3CCCC3=O)C2)c1=O 790455288 APTXWWBOKQVRFL-CQSZACIVSA-N 375.429 -0.802 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@@H]1CCCO1 808470890 LYISIENIWGEYHJ-OSLXHZNNSA-N 385.420 -0.793 30 20 GBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 812992580 KJTMMVFQAXGCBO-CQSZACIVSA-N 385.380 -0.117 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCNC(=O)[C@@H]1CC(=O)O 827760304 IYKGFKBKPCTYEB-GWCFXTLKSA-N 394.409 -0.973 30 20 GBED CN(C)C[C@@](C)(C#N)NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 844528576 JJRUWZJSUBPVPI-CQSZACIVSA-N 396.249 -0.147 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)CO)cc1 848476265 ZMYYWOMMPZQTKA-CYBMUJFWSA-N 385.467 -0.165 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn(C)n1 960639487 YTJWMKBOHVGEBY-HNKHHVNMSA-N 375.429 -0.152 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCC(=O)NC1=O 1000386610 FOEQCDCHWNNBQZ-MRLBHPIUSA-N 390.440 -0.233 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3nnn(C)c3c2)C1 1024966058 GCRHIKINQTZLEC-WNOSKKOXSA-N 385.424 -0.139 30 20 GBED Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[C@](F)(C#N)C2)s1 1117515128 WXDHZENIWRBFGV-AWEZNQCLSA-N 388.446 -0.085 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCc1ccn(C)n1 1329581572 LGPDCLVXWIZFAT-CYBMUJFWSA-N 382.428 -0.522 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCCN2CCC[C@H]2C1 1330022456 RPGUEOAVEKFRLQ-AWEZNQCLSA-N 378.520 -0.338 30 20 GBED C=C(C)Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@@](C)(O)COC 1342304241 VYKFTYBHQDGSPN-SFHVURJKSA-N 380.493 -0.082 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)CCN1Cc1ccccc1 1345219999 GDCQHMUGRSYROW-JKSUJKDBSA-N 390.465 -0.474 30 20 GBED CCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 1349073525 IWXHVTJBGKYHLX-CVEARBPZSA-N 397.435 -0.093 30 20 GBED C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)NC)CC1 1574706253 AKGMZDSVEDAAHD-HUUCEWRRSA-N 380.518 -0.457 30 20 GBED N#Cc1ccc(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[nH]n4)nn3)C2)[nH]1 1581868044 FVOBWXDBRREZJF-LLVKDONJSA-N 380.372 -0.190 30 20 GBED C=CCOCC(=O)NCCCN1CCN(c2nccnc2-c2nn[nH]n2)CC1 1588675285 BHZILDWMSJIGAK-UHFFFAOYSA-N 387.448 -0.512 30 20 GBED C=CCOCC(=O)NC[C@@H]1CN(c2cc(-c3nn[nH]n3)nc(CC)n2)CCO1 1588676661 ZWYYQVJRVAGCSV-GFCCVEGCSA-N 388.432 -0.257 30 20 GBED CN(C[C@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)CSCC#N 1591044616 USQGYHVJHVURFZ-NSHDSACASA-N 392.445 -0.657 30 20 GBED N#CCSCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 1592680778 ZDBVRKWCTHMWEZ-BXKDBHETSA-N 390.429 -0.857 30 20 GBED C#CCSCCNC(=O)C(=O)Nc1cnn(-c2ncccc2-c2nn[nH]n2)c1 1609021625 NUKLOPZMRZNAID-UHFFFAOYSA-N 397.424 -0.132 30 20 GBED CN1CCN(CCN(CC(=O)O)C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1610133098 DFWUKGYWLIXEQL-ISLYRVAYSA-N 393.444 -0.937 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3noc(C)n3)C[C@@H]21 1784479039 VENFNNVSKGJZCY-OEAJRASXSA-N 390.440 -0.061 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@H]2C1 1786674476 DJVLXTMVWHINNI-CWVYHPPDSA-N 377.441 -0.717 30 20 GBED CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]2C1 1791264526 QWBSRSAJUMUDAF-VOAKCMCISA-N 388.559 -0.232 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(N)=O)[C@H]3C2)cc1 1792282523 JGSAGBLGQBWQIR-JYJNAYRXSA-N 385.424 -0.180 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)[nH]1)C2 1792490348 WYTRBUSZQXNWME-OAILTHCBSA-N 389.412 -0.823 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ncccn1 1794187007 HTBPZAYCSCEVEC-CXMDPZGFSA-N 399.451 -0.533 30 20 GBED Cn1ncnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1794569988 XUYMVOVYDCQANW-VCRCSVMGSA-N 389.460 -0.510 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3cc(C)ccn3c1=O)C2 1800452757 VBYCIXHOVCCDLM-ZSBFGKGUSA-N 380.404 -0.161 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3cnccc13)C2 1800777506 WJEZVBSLCKQANW-KSPBDQMDSA-N 382.376 -0.146 30 20 GBED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2)n1cnnn1 1801437562 HRAWEQHBIWFUIY-IKVITTDRSA-N 384.400 -0.663 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1 1802912836 FDERJUQMIUQAQG-SWFLQVRRSA-N 388.424 -0.744 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1808259196 PUXKMPIJYFBQHS-IWCQGFGOSA-N 375.473 -0.036 30 20 GBED NC[C@H](N)C(=O)N1CCCC2(CCN(C(=O)/C=N/N3CCCCC3)CC2)C1 1810860964 KGGUDRXUFZEUTN-SITPEIFSSA-N 378.521 -0.025 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815676014 TXUCQLOHJBKNIA-WDEREUQCSA-N 389.441 -0.220 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccno3)C2)C1 1831391516 PPIXTDVMOATNNL-RDTXWAMCSA-N 377.397 -0.217 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1831425289 SJFQHEGCQMCOJG-VQIMIIECSA-N 392.456 -0.069 30 20 GBED NC(=O)CC[C@H](N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831669436 HMAHBNLZZJJKNX-GJZGRUSLSA-N 392.456 -0.713 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(OC)cc1F)CCO2 1833635395 SENCGYZMYOOVTH-SFHVURJKSA-N 377.372 -0.068 30 20 GBED CCn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834417779 SNTHVJRAPHQFEF-SFHVURJKSA-N 390.396 -0.939 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2 1835640398 UOKSWUZPTJNCGS-LJQANCHMSA-N 391.472 -0.914 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1836297976 OWXVJXMXGVYGGR-KDOFPFPSSA-N 393.444 -0.226 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C)C2)C1 1837394734 IWWGLFPXOAKZQO-DNVCBOLYSA-N 383.489 -0.423 30 20 GBED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1839889945 XTMNYTYRIQULHP-XJKSGUPXSA-N 389.399 -0.211 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCS(C)(=O)=O)CCO2 1840551619 GYMDGSWXRZUWPR-KRWDZBQOSA-N 386.470 -0.709 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 272879261 ULVSEIFGTWYZGQ-UHFFFAOYSA-N 393.473 -0.204 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](S(C)(=O)=O)C1 282320489 CPFCHUFIJCYJDV-FZMZJTMJSA-N 385.467 -0.129 30 20 GBED C#CCONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 291269182 NRUANMJECSWHQW-UHFFFAOYSA-N 379.438 -0.019 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@H](O)CC[C@H]2C1 349488941 GJFSXINJRBSBPT-BFHYXJOUSA-N 379.504 -0.416 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@H](C)CO)ncc1C#N 349570954 SBFYXBUQCIICEI-LLVKDONJSA-N 376.460 -0.306 30 20 GBED CCN1CCN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)[C@@H](C)C1=O 410714068 LKIIDALCJGCLNW-AWEZNQCLSA-N 384.440 -0.319 30 20 GBED C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 459909077 DZSQZLBTZRYWLC-HNNXBMFYSA-N 399.517 -0.131 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 509979706 QOHVRQSLFQXFSB-CYBMUJFWSA-N 393.469 -0.173 30 20 GBED N#Cc1ccc(=NCC(=O)NCCCNC(=O)CN=c2ccc(C#N)c[nH]2)[nH]c1 515343961 LQCHXCGGQGTWLI-UHFFFAOYSA-N 392.423 -0.790 30 20 GBED Cc1ccc(C(=O)Nc2cnn(CC(N)=O)c2)cc1S(=O)(=O)NCC#N 521299090 TUYYHHAHSYXLNJ-UHFFFAOYSA-N 376.398 -0.269 30 20 GBED N#CCCN(CCC#N)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 536343250 KGXWSSMIZYVDIQ-UHFFFAOYSA-N 376.461 -0.881 30 20 GBED COC(=O)C[C@H]1C(=O)NCCN1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 538096270 HLDOYVKPTWNBQB-GJZGRUSLSA-N 379.461 -0.958 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)C1=O 564199592 WNMSGMHTGZLFFX-BFHYXJOUSA-N 376.413 -0.274 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cccc3nsnc23)CC1 761031343 QFQWRBWUJYNCGH-UHFFFAOYSA-N 394.482 -0.285 30 20 GBED Cn1cc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(=O)n(C)c1=O 780031765 NWVMHPGVADUDNU-OAHLLOKOSA-N 381.392 -0.119 30 20 GBED C#CCC[C@H](O)CNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 799228805 YNTTUSLNHKUEDC-ZDUSSCGKSA-N 382.442 -0.002 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)[C@H]1CCCO1 809314168 YXQWLKZUZWDKFN-QLFBSQMISA-N 385.486 -0.396 30 20 GBED C#CCCS(=O)(=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 810782704 WKNGVSJLSHEGSI-LBPRGKRZSA-N 387.458 -0.029 30 20 GBED N#Cc1cc(F)ccc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1-c1nn[nH]n1 822822889 GWIIELHJWGSUJJ-UHFFFAOYSA-N 398.362 -0.130 30 20 GBED C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 823844923 KFXAEUNFGFOXOA-SNVBAGLBSA-N 399.429 -0.183 30 20 GBED COc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CNC[C@@H]2C#N)cc1OC 834512012 QXWFUTROPUXNPC-AAEUAGOBSA-N 382.442 -0.400 30 20 GBED COCCN1C(=O)c2ccc(C(=O)N[C@H]3CCCN(O)C3=O)cc2S1(=O)=O 848139167 SCBUGNNEIWIZHC-LBPRGKRZSA-N 397.409 -0.413 30 20 GBED CCOC(=O)CON=C(C(=O)N[C@@H]1CCc2c(nnn2C)C1)c1cc[nH]n1 848312557 NQNJNGOKUQVLES-SNVBAGLBSA-N 375.389 -0.504 30 20 GBED C=CCn1cc(C(=O)N2CC3(C[C@@H](NC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)CO3)C2)nn1 965767480 RJSXFUGPIJFDHV-SGAAXARDSA-N 399.451 -0.013 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CN3CCC(=O)NC3=O)C[C@H]21 975262807 ZRULEELVLRYQLF-TUVASFSCSA-N 390.440 -0.421 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3n(n2)CCO3)C1 1024239468 SKHJTXLULVWNHA-DCDXPUDHSA-N 376.413 -0.442 30 20 GBED N#Cc1c[nH]c(C(=O)NCCN(CCO)C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)c1 1058353172 ZGZFSWMPRNPWQC-OFQRWUPVSA-N 376.413 -0.511 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1Cn1nnnc1N1CCN(S(=O)(=O)N(C)C)CC1 1120114398 JAKMXGUDTOMGKR-ZIAGYGMSSA-N 385.494 -0.417 30 20 GBED N#Cc1cn(CC(=O)NCCN2Cc3ccccc3OCC2=O)c(=O)nc1O 1177584838 XWXAYRVKSWLMNF-UHFFFAOYSA-N 383.364 -0.642 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCCNS(=O)(=O)CC)C[C@H]1O 1196276708 USHGETZBKMRALF-TUVASFSCSA-N 375.491 -0.932 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@H](C)C1 1207686961 UQBIMHLGMLCJTA-QBPKDAKJSA-N 379.505 -0.096 30 20 GBED CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 1253370625 XSYYMAWUKFVMOA-LBPRGKRZSA-N 382.446 -0.416 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1nc(-c2ccccc2)n[nH]1 1257595917 NBUFIKWWZFSZLS-UHFFFAOYSA-N 377.426 -0.195 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCn1c(O)nc2ccccc21 1261133956 IOLKTCZNTQUUOA-UHFFFAOYSA-N 380.426 -0.425 30 20 GBED COCCn1cnc2c1c(=O)n(CC(=O)NCCC#N)c(=O)n2CC(C)C 1317803898 YVIPAPIKJPPGTJ-UHFFFAOYSA-N 376.417 -0.308 30 20 GBED C=CCN(C(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1)[C@@H]1CCS(=O)(=O)C1 1325025358 GWQRRDDFGOTLNL-SNVBAGLBSA-N 395.441 -0.504 30 20 GBED C[C@H](NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1cnn(C)c1 1326550610 FYDRIZQUVTWEKF-OLZOCXBDSA-N 382.428 -0.004 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)C1=O 1327398101 JFODVKSDSKHTNC-KKSFZXQISA-N 398.463 -0.113 30 20 GBED N#Cc1ccc(S(=O)(=O)CCNCCS(=O)(=O)C2CCOCC2)nc1 1329140709 HIKNMOIUBXQDIY-UHFFFAOYSA-N 387.483 -0.090 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N[C@H]1CCc2cc(C#N)ccc21 1330521751 OIIVTKWUCNMMJN-RRFJBIMHSA-N 377.422 -0.410 30 20 GBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1332671875 FQJOGFUZUDKVKD-KZNAEPCWSA-N 386.452 -0.169 30 20 GBED COC(=O)C1(C#N)CCN(C(=O)C(=O)N2CC[C@@H](N3CCOC3=O)C2)CC1 1333465838 ATQJHFWQEDRQIT-GFCCVEGCSA-N 378.385 -0.655 30 20 GBED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccnc1C#N 1339027122 BOPROXODXMXUDV-LLVKDONJSA-N 386.455 -0.733 30 20 GBED CC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CCO1 1348390701 WXCHQLZPWYRMHV-MRXNPFEDSA-N 386.408 -0.489 30 20 GBED C=C(C)Cn1c([C@H]2CNC(=O)C2)nnc1N1CCN(CC(=O)NCC)CC1 1515173280 HFHAEXAJNFZSDT-CQSZACIVSA-N 375.477 -0.284 30 20 GBED Cn1c(=O)[nH]c(N2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)c(C#N)c1=O 1559147221 LLXFKDGUINTOBK-UHFFFAOYSA-N 379.380 -0.216 30 20 GBED C#CCN1CCC(C(=O)NC[C@H](C)N[C@@H](C)C(=O)NCc2cnn[nH]2)CC1 1574966407 BJZUHOYESZBPRX-KBPBESRZSA-N 375.477 -0.751 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3cnn[nH]3)CC2)C1 1575012631 FAGWTGQTWDYVFG-HZPDHXFCSA-N 388.472 -0.274 30 20 GBED C=CCCC(=O)NCc1nc(O)cc(CN=c2cc[nH]c(-c3nn[nH]n3)n2)n1 1588572635 MRZWPQDMXGNHMT-UHFFFAOYSA-N 382.388 -0.231 30 20 GBED CC(C)(C)OC(=O)N1CCO[C@](C(=O)O)(C(=O)N[C@H]2CCCN(O)C2=O)C1 1588693972 LZDDEFHCISPSNU-QFYYESIMSA-N 387.389 -0.427 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCOC)c1ccc(-c2nn[nH]n2)nn1 1588723402 MKWNNSPASSYOJL-OCCSQVGLSA-N 388.432 -0.183 30 20 GBED C[C@H](C(=O)OCC(=O)NCc1cccc(C#N)c1)n1cnc(-c2nn[nH]n2)n1 1589026405 JQGYFFDKDVEKFA-SNVBAGLBSA-N 381.356 -0.250 30 20 GBED N#CCOc1ccccc1C(=O)N1CC(n2cc(-c3nn[nH]n3)c(O)nc2=O)C1 1592680298 KUJWQINIPCSNEO-UHFFFAOYSA-N 394.351 -0.272 30 20 GBED C#CCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cc(C(=O)O)cs2)CC1 1602720575 ZLWGQOSHADHJMU-LLVKDONJSA-N 385.467 -0.110 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1602721827 YGACFSNMNJKHQW-WFASDCNBSA-N 384.444 -0.083 30 20 GBED C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CCN(CC2CC2)CC1 1602879673 LCFUEUFBOIQCOJ-UHFFFAOYSA-N 396.463 -0.184 30 20 GBED C[C@H](C(=O)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1)n1cnc(C#N)n1 1609068493 KAOXICGFXQAWMO-LLVKDONJSA-N 379.388 -0.365 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CCC(=O)OC)C(=O)O)c1 1609162172 KJLUUTOKPPJUNK-CYBMUJFWSA-N 382.394 -0.266 30 20 GBED N#Cc1cn(CC(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)c(=O)nc1O 1627818598 SAABLACSUDXHHM-SECBINFHSA-N 387.318 -0.262 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1OCC 1757385076 JAUCKYMGSKWROR-APIJFGDWSA-N 383.445 -0.087 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1783166687 KDIZMGRIXOBYKV-CPHPGDKFSA-N 392.456 -0.801 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)COc1ccc(O)cc1)CCO2 1783557216 YDCUCRZBTAMPQD-IBGZPJMESA-N 388.376 -0.311 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1783926679 IXIXZBBYHZQULM-NIKGAXFTSA-N 396.440 -0.530 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CNC(C)=O)C2 1793340433 WIEQRYYVIQTPCS-LLLHUVSDSA-N 393.484 -0.223 30 20 GBED O=C(CNC(=O)c1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1793956377 SASZHZUWCARGRE-XEMDLRDOSA-N 396.447 -0.186 30 20 GBED COc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c(F)c1 1794453474 KNULVBNVZRZKPD-CULMDFNYSA-N 391.355 -0.480 30 20 GBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 1796959005 FWDONOVGGVAGAN-YFKTTZPYSA-N 376.442 -0.354 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ncccn12 1797026485 PEWLZFTVBHDUQR-PNBKFKSVSA-N 397.435 -0.029 30 20 GBED C#CC(=O)N1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1811188404 GVQUCPYJNKJXFA-GUYCJALGSA-N 378.392 -0.077 30 20 GBED C#CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CNC(=N)N)[nH]n1 1815197367 NMSSYMFRAIQISB-WCQYABFASA-N 375.433 -0.077 30 20 GBED CN[C@@H](CC(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1)C(=O)O 1825665164 XGWFFXXETWGQTJ-WPRPVWTQSA-N 394.409 -0.794 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)C(C)(C)C)CCO2 1830616077 FZRSOQRZOAQMOQ-GUXCAODWSA-N 396.484 -0.112 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1831388014 OVAGWKZSJWGOOT-YLJYHZDGSA-N 393.484 -0.423 30 20 GBED N#CCC(=O)NC1CCN(C2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1834398309 NEKFAYYYYFROBW-UHFFFAOYSA-N 388.428 -0.013 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccsc1)CCO2 1836101461 BGZJHDUBBLHIKQ-GOSISDBHSA-N 392.433 -0.165 30 20 GBED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1)n1cncn1 1840416979 BIWUEHVFTNSHKJ-WMLDXEAASA-N 376.417 -0.401 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)N(C)C(C)=O 1847262448 YDVHANSZTWQFFA-VCDDEGKWSA-N 376.457 -0.087 30 20 GBED Cn1cc(S(=O)(=O)NCCN2CCN(c3ccc(C#N)cn3)CC2)cn1 173560248 ZEZILMPWSDLNJY-UHFFFAOYSA-N 375.458 -0.213 30 20 GBED Cc1nnc(CN/C(=N/C2CC2)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C 261969744 MLYPLDCXQBDAJP-INIZCTEOSA-N 388.520 -0.030 30 20 GBED COCCN(CC(=O)N(C)C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 290568707 RMHOMYTVZDUOOK-UHFFFAOYSA-N 382.442 -0.600 30 20 GBED CS(=O)(=O)N1CC[C@H](C/N=C(/O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 328746324 PSLJJSXXTVSVNU-ZIAGYGMSSA-N 388.490 -0.495 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O 349454385 GQTAVUVHMIORJC-RVMXOQNASA-N 392.503 -0.876 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N)C[C@@H]1C 349514147 ZFSBQFKHHIVBHP-KBPBESRZSA-N 380.536 -0.094 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 349525866 RZOZZPZKFSHJCD-CHWSQXEVSA-N 392.503 -0.766 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C1(C)C 349527380 VTOKNXLOOHZENW-UHFFFAOYSA-N 394.519 -0.520 30 20 GBED N#C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCO1 408093497 CAMMSHPOVMKKNW-CYBMUJFWSA-N 378.410 -0.828 30 20 GBED C=CCN(CCOC)C(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 410910235 NLOIPYNRXZLSLX-UHFFFAOYSA-N 380.489 -0.196 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)C1=O 412600612 JEFXQGXABFMMKV-IBGZPJMESA-N 384.392 -0.381 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CCN)CC1 419702198 AWPCRSFQWGADEK-KRWDZBQOSA-N 393.532 -0.011 30 20 GBED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCOC[C@@H](O)C2)n1 453825598 UCIACHCDIQYFBC-ZDUSSCGKSA-N 389.799 0.556 30 20 GBED C[C@@H]1CC(=O)C[C@@H](C(=O)N2CC(O)(CC#N)C2)[C@@H]1C(=O)N1CC(O)(CC#N)C1 476815699 HKDFMCXXKQRXLB-BPLDGKMQSA-N 388.424 -0.808 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NCCS(=O)(=O)NC2CC2)c1 515709621 SWIMDAVIPFSOPF-UHFFFAOYSA-N 387.483 -0.038 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCNS(C)(=O)=O 541401084 GIWHPOAOLURVSC-UHFFFAOYSA-N 384.414 -0.813 30 20 GBED CN(CC(N)=O)S(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)C2CC2)cc1 568412685 FTIYROPXESBQFL-UHFFFAOYSA-N 386.455 -0.531 30 20 GBED C[C@H]1c2nncn2CCN1S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 574339938 YOJAEVLCVGUZLQ-NSHDSACASA-N 396.454 -0.155 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1 576240607 BYEMZSOLYDOWSX-LLVKDONJSA-N 399.454 -0.863 30 20 GBED CN(C)CCOCCNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587654480 OUKHGOQAGFTAAO-UHFFFAOYSA-N 388.472 -0.267 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CCOCCOC)CC1 653430401 CZTWYBMHMJZUJH-IRXDYDNUSA-N 383.489 -0.109 30 20 GBED C[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(N)=O)C1 727007978 JGUZEMYGSHOEHB-WFASDCNBSA-N 386.408 -0.056 30 20 GBED COCCOc1ccc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)cc1 730564152 JNXKWDVNEGASOF-UHFFFAOYSA-N 384.417 -0.553 30 20 GBED C[C@@](C#N)(NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C1CC1 745478992 PXCBKYAWADHDIS-CFMPDUIESA-N 375.381 -0.500 30 20 GBED COC(=O)N[C@@H](C)C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 761525563 JATQDJNMUKESIJ-JTQLQIEISA-N 379.373 -0.209 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)N1CCNC1=O 767638500 TUSLUSCXNBVVFK-QWRGUYRKSA-N 394.409 -0.291 30 20 GBED C#CCN1CCN(C(=O)CN2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 775841897 HZKVJZDXZPDYTB-INIZCTEOSA-N 380.489 -0.011 30 20 GBED Cn1cc(S(=O)(=O)NN=C2CCCc3ccc(O)cc32)c(=O)n(C)c1=O 794522789 CWWACDFINRTNCW-UHFFFAOYSA-N 378.410 -0.192 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 812992579 KJTMMVFQAXGCBO-AWEZNQCLSA-N 385.380 -0.117 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1=O 853554788 DHOZNUPJFBAYMC-KGLIPLIRSA-N 375.429 -0.898 30 20 GBED C=CCNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 914668337 QICQKIZCOZDXKL-UHFFFAOYSA-N 381.410 -0.734 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C(=O)N2CCC(C)CC2)C1 963220998 KPCDHEHBHDGFLL-NCOADZHNSA-N 393.484 -0.086 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3nnc(O)nc3O)C[C@H]2C1 986696885 MCRYUDWZIPXCEY-XQHKEYJVSA-N 389.412 -0.206 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C 990337757 RZCJKOIYYROPFC-UXOAXIEHSA-N 390.440 -0.606 30 20 GBED N#Cc1nccnc1N1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1043835727 GOKOJAJUTRPMPQ-XSIBGMEISA-N 385.424 -0.184 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1O 1077821829 IXTGWUNAGOHFQG-JJXSEGSLSA-N 387.502 -0.836 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCC1([S@](C)=O)CC1 1117667434 IRKNKIUJFUBRPM-JWNZJDHWSA-N 390.469 -0.587 30 20 GBED CCS(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccc(OCC#N)cc2)CC1 1119661675 JAPDKUAZPYICHT-UHFFFAOYSA-N 394.453 -0.301 30 20 GBED COc1ccc(C(=O)N2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)cc1 1136168070 LNDCQRQMRDBRGA-UHFFFAOYSA-N 397.391 -0.186 30 20 GBED C=CCn1c([C@H]2CCC(=O)NC2)nnc1N1CCN(CC(=O)NCC)CC1 1262973960 RKQFFUIBFXFBGE-AWEZNQCLSA-N 375.477 -0.284 30 20 GBED CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1293113849 PCGHPEBQWBHMMC-YOEHRIQHSA-N 394.501 -0.433 30 20 GBED C#CCNC(=O)C1CCN(C(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 1321776138 WOSOLSCAXFYPIN-CWCFIDOXSA-N 387.436 -0.475 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 1326598344 YDRHVQUSLZCWHI-VLUKHXRESA-N 398.423 -0.581 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC(C(=O)Nc3nncs3)CC2)C1 1328424714 GKSUMDWEAJCULP-MRXNPFEDSA-N 392.441 -0.408 30 20 GBED CN1CCN(C(=O)C2CCN(C(=O)C(=O)N3CCC[C@H](C#N)C3)CC2)CC1 1335473569 JFPNDDGZRNCSSS-OAHLLOKOSA-N 375.473 -0.239 30 20 GBED C=CCn1c(CN2CCC[C@@H](O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1340449781 MDTIXPRKMCDLTJ-OAHLLOKOSA-N 398.533 -0.108 30 20 GBED CCN(CCC#N)S(=O)(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1344601026 YKVISJIMCPLRCU-UHFFFAOYSA-N 378.520 -0.338 30 20 GBED C=CCN(C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H](C)COC 1347004379 QHPVZLCHLLFHBV-MRXNPFEDSA-N 380.489 -0.198 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H](OC(=O)N(C)C)C2)C1=O 1348355640 LHZZCCMOEYDGIQ-ZIAGYGMSSA-N 380.445 -0.079 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCC[C@H]1C1OCCO1 1351584940 ZMBSIHPSAOCNMB-ZDUSSCGKSA-N 388.428 -0.130 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 1352260813 IYSZFADMFVFGES-CQSZACIVSA-N 382.486 -0.611 30 20 GBED Cn1c(-c2cccc(CC#N)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1525861323 ZNKQOBIPBPFFEL-UHFFFAOYSA-N 392.427 -0.117 30 20 GBED C#CCN(CC#C)c1nnc([C@H]2C[C@@H](N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1574632672 XLWPZUACSDQTKH-VBQJREDUSA-N 377.470 -0.895 30 20 GBED C#CCNC(=O)CC(=O)N(C)[C@H](C)CNC(=O)c1cncc(-c2cnn[nH]2)c1 1575004897 PEOLKHTZVDHCQX-GFCCVEGCSA-N 383.412 -0.417 30 20 GBED COCC#CCN(CCO)C1CCN(C(=O)CCOCc2cnn[nH]2)CC1 1576951969 DAJRGDIEAVSMJA-UHFFFAOYSA-N 379.461 -0.354 30 20 GBED N#Cc1c[nH]c(C(=O)NCCOCCCN=c2cc[nH]c(-c3nn[nH]n3)n2)c1 1592686746 RWRBVHPWPGXPMX-UHFFFAOYSA-N 382.388 -0.473 30 20 GBED C[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1)C(=O)O 1592722526 NSBDWTYPRJHYCL-JTQLQIEISA-N 375.428 -0.170 30 20 GBED CO[C@](C)(C(=O)O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1593922283 JQEWVXNQWJNIOC-INIZCTEOSA-N 381.410 -0.119 30 20 GBED C#CCO[C@H](C)C(=O)NC1(CO)CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 1602727436 XSWKFMQHZLVOMO-CYBMUJFWSA-N 385.428 -0.253 30 20 GBED Cn1c(COC(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)cc(=O)n(C)c1=O 1609476174 MIEPJIURXYEPNC-CYBMUJFWSA-N 395.379 -0.310 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NC2(c3cccc(-c4nn[nH]n4)c3)CC2)CCO1 1609495113 WRSQFZZIPDTLLO-CYBMUJFWSA-N 375.414 -0.085 30 20 GBED N#Cc1ncn(CCNC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)n1 1680972912 IZBULEBSZOXMES-OAHLLOKOSA-N 376.465 -0.754 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1778777651 SWRGCGFIPHXFHE-GOSISDBHSA-N 383.364 -0.511 30 20 GBED Cn1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1779016517 ZRTSCGFZLGQXCE-PQFHHTBUSA-N 389.460 -0.270 30 20 GBED CCN(C)[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015684 YNKDEJHNTMYHGE-QMTMVMCOSA-N 379.457 -0.072 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C)COC3)[C@H]2C1 1783664719 JQHFUPJZTNPKGT-PVPAMPSESA-N 391.468 -0.139 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 1784481088 GVTURUAGJMUSOK-QAETUUGQSA-N 389.456 -0.314 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C(=O)OC)CC3)C[C@@H]21 1784482487 CVMTZNDBHMMAPW-VGWMRTNUSA-N 392.452 -0.042 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 1788572392 DRJNTPZAEUAGCV-XUXIUFHCSA-N 377.445 -0.029 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)[nH]n1)C2 1792489650 DOENYARHLHVKSM-OLDVJPBNSA-N 387.440 -0.220 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 1795597858 HYGXJASPVQOSSZ-HLPPOEQASA-N 391.472 -0.864 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1797583058 LOQTXKDGDCIJKJ-OPDFLTKYSA-N 382.417 -0.810 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H](O)CN1 1799921760 WFXWAXPTRYSSGP-QRJUGERDSA-N 379.457 -0.143 30 20 GBED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)nn1 1800208568 NOCSXHRMMHUFCV-HBCWATKFSA-N 388.424 -0.046 30 20 GBED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(C)=O)C2 1800490444 YWCZYDKLNYJLNB-FMPTWSOUSA-N 381.473 -0.061 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCCCC1)C2 1800775823 INBBUOFQPCKHFH-CCWDJLKJSA-N 377.441 -0.460 30 20 GBED C[C@@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835101544 GNEMLSUJWCXMBT-UTKZUKDTSA-N 399.447 -0.371 30 20 GBED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835640151 LSAMGQCPQAJZIA-BEFAXECRSA-N 393.488 -0.505 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1836111224 LQXMZTMGWKDCQC-KRWDZBQOSA-N 391.453 -0.061 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc(O)nn1)CCO2 1839649651 AKTGDDDLDGRLEY-SFHVURJKSA-N 389.412 -0.515 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C2)C1 1839806718 WZIITRJBYOIYGX-APWZRJJASA-N 379.457 -0.373 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1839844566 OACOAAKLZQNDJH-QAPCUYQASA-N 377.445 -0.053 30 20 GBED CC(C)O[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042209 GRUORZANYZSDCV-KSSFIOAISA-N 382.413 -0.656 30 20 GBED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CC 255266602 VRRBDFPLCFDIHA-UHFFFAOYSA-N 389.481 -0.291 30 20 GBED C=CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)O 262889954 LJKLOIATYCEBFU-CQSZACIVSA-N 395.437 -0.044 30 20 GBED Cc1ccn2c(=O)c(/C(O)=N/[C@H](C)C(=O)N3CCS(=O)(=O)CC3)cnc2c1 329257182 DWQQTXCOVQJTIQ-GFCCVEGCSA-N 392.437 -0.047 30 20 GBED CCn1cc([C@@H]2NC(=O)CC[C@H]2NS(=O)(=O)N(CCC#N)CCOC)cn1 410385444 JJDDPRHIUUSJNQ-ZBFHGGJFSA-N 398.489 -0.081 30 20 GBED CN(CC(=O)N1CCN(c2cc(C#N)ccn2)CC1)[C@H]1CCS(=O)(=O)C1 501667327 UZEJGIRKNJAXHE-HNNXBMFYSA-N 377.470 -0.279 30 20 GBED CN(C)CCN(CCN(C)C)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 562149757 HCDFXTRQNIKYPM-UHFFFAOYSA-N 381.502 -0.212 30 20 GBED COC(=O)[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc(C#N)cc1OC 573646320 XZOMZMVMYJMXMV-ZDUSSCGKSA-N 383.426 -0.281 30 20 GBED CCn1cnnc1CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 580095052 GMJVFOLNLMQWPC-NSHDSACASA-N 398.470 -0.033 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1 728589361 CBRALHTYMFWIFI-UHFFFAOYSA-N 399.494 -0.854 30 20 GBED CCC1(CC)NC(=O)N(CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1=O 731861931 SSLVGENKNOYVCT-BUHFOSPRSA-N 377.401 -0.260 30 20 GBED CCCCNC(=O)CN1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 746099389 QRINIIDTNRPJDO-VHEBQXMUSA-N 391.472 -0.037 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2cc(-c3cccnc3)n[nH]2)c(=O)n(C)c1=O 771888526 DFMHQESJFQZNRZ-UHFFFAOYSA-N 389.397 -0.819 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2c(c1)CCO2 771888808 HFCZNJQYOQFIIB-UHFFFAOYSA-N 378.410 -0.279 30 20 GBED CCN1CCN(CC(=O)OC2(C#N)CN(C(=O)OC(C)(C)C)C2)C(=O)C1=O 774231056 IWQZMVXBRRMLDH-UHFFFAOYSA-N 380.401 -0.267 30 20 GBED Cn1nccc1CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 808015391 KRDKCPDUIIKIPU-KRWDZBQOSA-N 394.435 -0.132 30 20 GBED C=CCC1(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 810985705 QWBNYHKLILEHOG-NEPJUHHUSA-N 390.483 -0.423 30 20 GBED O=C(N[C@H]1CCCN(O)C1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 816755848 KIWLYFMBIAOSCP-AWEZNQCLSA-N 383.426 -0.183 30 20 GBED C=CCOCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 823925077 CXWKJOGUYXFEBG-LLVKDONJSA-N 380.430 -0.148 30 20 GBED CNC(=O)[C@@H](O)CNS(=O)(=O)c1cc(Br)c(C#N)cc1F 831270178 OMHDFHMOBZYOAZ-VIFPVBQESA-N 380.195 -0.155 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2Cc3ccccc3N2C(C)=O)CC1 831560973 LTEZWJNCVGQYIP-KRWDZBQOSA-N 390.465 -0.424 30 20 GBED COCCN1C(=O)c2ccc(C(=O)N[C@@H]3CNC[C@@H]3C#N)cc2S1(=O)=O 834493129 AYWKKVBKZASRDD-WCQYABFASA-N 378.410 -0.681 30 20 GBED CCOC(=O)CON=C(C(=O)NCC(=O)Nc1ccn(C)n1)c1cc[nH]n1 834530796 UQBDLOKDCCZWNE-UHFFFAOYSA-N 377.361 -0.818 30 20 GBED CCn1ncc(C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 842057352 UAGIZUKZEVSYQN-UHFFFAOYSA-N 377.382 -0.237 30 20 GBED C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccnn2C)CC1 848962835 ZTFZQQNISLGQRA-UHFFFAOYSA-N 389.503 -0.868 30 20 GBED N#Cc1ccccc1OCC(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 916461072 XCOMWCJUDWTXFH-LBPRGKRZSA-N 395.393 -0.507 30 20 GBED C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1OC 942198987 YKAHUHVZAJXRNY-SLBVQIDZSA-N 390.440 -0.337 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@@H]1O 964489502 HNXQJIVMAIUZOX-XRGAULLZSA-N 390.440 -0.593 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nnnc2C(C)C)C[C@@H]1O 964615367 OPYWCTUXSWXEGQ-KBXIAJHMSA-N 392.460 -0.534 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 968864962 GXIYCLOTTZJMGI-QOOGKBOQSA-N 391.424 -0.334 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CS(=O)(=O)C2)nn1 1002760107 VMMHIRBXSXCKSG-BZPMIXESSA-N 379.442 -0.630 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nn(CC)nc2C)C[C@H]1O 1023942177 OHLKFLHBIUGDGI-NHIYQJMISA-N 377.445 -0.111 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@H]1O 1025712529 PHHVKINJUWPRMM-LPWJVIDDSA-N 379.438 -0.260 30 20 GBED N#Cc1cc(CN2C[C@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)ccc1F 1083775514 XLYFIVXXIKJXOL-FXUDXRNXSA-N 376.388 -0.608 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CNC(=O)c2ccccc21 1109411946 XXXSFGFRVCJXPN-QCSYZSNVSA-N 380.448 -0.016 30 20 GBED C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N[C@H](C)C(=O)N(C)C 1110545032 QFSQJOMTXNGVCM-FPCVCCKLSA-N 378.473 -0.659 30 20 GBED C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1117144854 LNSRXGFBHHKQRD-ZIAGYGMSSA-N 399.455 -0.488 30 20 GBED C=CCOCCN[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@@H]1n1ccnn1 1129849989 ICFLAEUCYHAALR-FPCVCCKLSA-N 376.461 -0.263 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 1320873043 FYEOELUSELOFGA-UHFFFAOYSA-N 380.426 -0.128 30 20 GBED CN1CC[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 1324039625 QWXUJBDZVPUVNF-LSDHHAIUSA-N 383.408 -0.483 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 1324414675 WYCRFGOTHRUDAB-HUUCEWRRSA-N 398.485 -0.448 30 20 GBED C=CCn1c(C[C@H]2CCNC(=O)C2)nnc1N1CCN(C(=O)COC)CC1 1342207218 FFONNAPYRLUMAO-CQSZACIVSA-N 376.461 -0.172 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC(N(C)S(=O)(=O)CC)CC1 1349486909 QIEHZDSDHJPHEI-AWEZNQCLSA-N 387.502 -0.197 30 20 GBED CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1453832480 SYMBFNAAOZCKEC-INIZCTEOSA-N 381.392 -0.090 30 20 GBED C[C@@H](C#N)C(=O)N(CCO)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573562169 RNOCDBQTNSBJNP-WCQYABFASA-N 386.416 -0.220 30 20 GBED C#CCCCCC(=O)NC[C@]1(O)CCN(C(=O)CC(=O)NCc2cnn[nH]2)C1 1574867163 QLRBVRCWWNRVGD-GOSISDBHSA-N 390.444 -0.916 30 20 GBED COCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C(=O)N1CCO[C@H](C#N)C1 1591426556 GQHTZWDNEKHYAJ-OAHLLOKOSA-N 399.411 -0.407 30 20 GBED C#CCOCCC(=O)N1CCCO[C@@H](CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1602726295 CYFJJFQSORTALZ-ZDUSSCGKSA-N 386.416 -0.852 30 20 GBED C#CCOCCC(=O)N1CCCO[C@H](CNc2cnc(-c3nn[nH]n3)cn2)C1 1602727785 SDVABQIBPYRFOR-CYBMUJFWSA-N 386.416 -0.274 30 20 GBED Cn1c(N2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)c(C#N)c(=O)n(C)c1=O 1606217545 MPZKDZMDKNVEGQ-UHFFFAOYSA-N 393.411 -0.538 30 20 GBED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(CC(N)=O)C(=O)C1 1618446353 LILSXMYZSDNDHT-UHFFFAOYSA-N 381.396 -0.688 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778940897 YSZPOMIGPUQQTG-PXAZEXFGSA-N 379.417 -0.507 30 20 GBED COCCOCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779016773 OSQIKNNIXNNRGO-XAJRUKRBSA-N 396.488 -0.049 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=N)N)C2 1779332809 RCRPDDVYBXQMLD-IQUTYRLHSA-N 395.504 -0.444 30 20 GBED O=C1C[C@H](C(=O)N2CC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)CN1 1783163613 XBBYJPGWGVKRKT-ARBSKPPNSA-N 388.424 -0.336 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ccccn4n3)[C@H]2C1 1787265774 LKXDVIOINRTYRU-IHRRRGAJSA-N 397.391 -0.589 30 20 GBED COC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789347530 QRWJHIHVHWPPRU-YDHLFZDLSA-N 389.412 -0.164 30 20 GBED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]2C1 1791311124 QOSAOAUNDHABEV-SRVKXCTJSA-N 390.362 -0.052 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 1792577122 ACVSWBFLZNEBQT-SVZOTFJBSA-N 379.457 -0.307 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C(\C)NC(C)=O)C2 1793346424 QOILGWJPIXGNGG-LRIGPNIBSA-N 377.441 -0.346 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1ccnn1)C2 1793362572 YYOYLZBRRCSEGB-MPTYRVRUSA-N 377.445 -0.151 30 20 GBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCNC2=O 1794974856 LDEKOFXIXBJQKO-NJBDSQKTSA-N 393.469 -0.852 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ncccc12 1796274090 KYLQZBKOFBUOHB-AFIMGQEJSA-N 397.435 -0.029 30 20 GBED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1)n1cnnn1 1798695159 SPRXARQWGUQEHV-IKVITTDRSA-N 384.400 -0.663 30 20 GBED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1802126210 DRYYFGFKEUUJFM-FQLMCAECSA-N 394.472 -0.549 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1829961789 SZDUEACKRNAWPY-BEFAXECRSA-N 377.441 -0.618 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1834760654 GMTXCXZECLRVBW-GOSISDBHSA-N 384.396 -0.287 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834848650 YQLLXKPSOJSOAY-HNAYVOBHSA-N 396.440 -0.566 30 20 GBED Cn1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)n1 1835353936 HPZNOOZJFIPXPP-SFHVURJKSA-N 375.429 -0.277 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)C1 1835632239 GLAVIBMUOVKPAB-LJQANCHMSA-N 391.472 -0.751 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839863789 HEWQZEPYDBGUHM-IFXJQAMLSA-N 397.472 -0.719 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041215 YNJJIKIXSWRRSZ-KRWDZBQOSA-N 382.438 -0.550 30 20 GBED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)no1 1840041388 KHQFOJDDGYZGGA-QGZVFWFLSA-N 377.353 -0.859 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N(CC(N)=O)CC(=O)OCC)c1 63477425 CNSPBRXWMHWWAS-UHFFFAOYSA-N 381.410 -0.911 30 20 GBED CS(=O)(=O)N1CCN(c2ccc(NC(=O)N3CCO[C@@H](C#N)C3)cn2)CC1 70056570 XXCYYKJSFMSMKA-AWEZNQCLSA-N 394.457 -0.081 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@@H]2C(=O)N2CCCC2)C1=O 264153174 HFKNPWILFQGPBQ-LLVKDONJSA-N 380.426 -0.513 30 20 GBED Cn1c(NCC2CCN(S(=O)(=O)C(F)F)CC2)c(C#N)c(=O)n(C)c1=O 264841185 DMYYPGTUBTZPJX-UHFFFAOYSA-N 391.400 -0.368 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 282878655 PRDXXLHUFUKMBH-UHFFFAOYSA-N 396.473 -0.591 30 20 GBED C[S@](=O)C1(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 290114272 FSRUKOFVOSLFLP-SANMLTNESA-N 375.454 -0.371 30 20 GBED CC(=O)N1CCN(CC/N=C(/O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 329603329 GHNPTZIFNVGJIC-MUIFIZLQSA-N 392.456 -0.341 30 20 GBED Cc1c([C@@H]2[C@H](/C(O)=N/CCN3CCS(=O)(=O)CC3)CC(=O)N2C)cnn1C 330307227 RZXLEICXMKBORY-CJNGLKHVSA-N 397.501 -0.065 30 20 GBED N#CCCNS(=O)(=O)CCCS(=O)(=O)N1CC(=O)Nc2cccnc21 349585782 AGOKUYOQLAJZCF-UHFFFAOYSA-N 387.443 -0.607 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)C1=O 410882691 JEEYOOBZGMERGG-CQSZACIVSA-N 393.488 -0.116 30 20 GBED C=CCN(C)CCN(CC)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 411648163 ZOKIGDCBLPSDDT-QGZVFWFLSA-N 386.562 -0.243 30 20 GBED CC1(C)CN(C(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C[C@@H](CO)O1 422105113 JQMPTTOIOMHADL-GJZGRUSLSA-N 388.424 -0.069 30 20 GBED C=CCN(CC=C)C(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 459804089 AZBPBUHMCROUFI-HNNXBMFYSA-N 385.486 -0.160 30 20 GBED C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C[C@@H](CO)O1 460074864 HHBQJTATAYRBPW-ZFWWWQNUSA-N 390.415 -0.046 30 20 GBED CCOC(=O)[C@@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 468784575 BFHMGCVTCQBKMT-BZNIZROVSA-N 383.426 -0.345 30 20 GBED C=CCn1c(O)nnc1SCC(=O)c1c(O)nc(=O)n(CCOC)c1N 470828939 BGBASPBFNGAAEH-UHFFFAOYSA-N 382.402 -0.364 30 20 GBED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C)c2=O)n1 477001605 MHYXEDBVOSBCSG-UHFFFAOYSA-N 388.449 -0.494 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(NC(N)=O)CC1 482399302 FVZVCWVYFBLSBT-NSHDSACASA-N 379.442 -0.116 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H](CS(N)(=O)=O)C2)CC1 553179888 LTOQSLIXIYFJOB-HOTGVXAUSA-N 385.534 -0.321 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)C1=O 564199610 WNMSGMHTGZLFFX-HZSPNIEDSA-N 376.413 -0.274 30 20 GBED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 574674426 ULQVWHLWFZBJPY-HUUCEWRRSA-N 384.440 -0.367 30 20 GBED CC(C)N(C[C@H](O)CO)C(=O)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 584118233 OAEFLDPGVIMSGM-JSGCOSHPSA-N 397.453 -0.099 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)C)cc1 584790677 RQHUUUHTVOJZQO-LLVKDONJSA-N 388.471 -0.414 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[C@H]2O)s1 594637156 MWLHVBOCICQYED-GHMZBOCLSA-N 394.500 -0.021 30 20 GBED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)cc1 615635271 UOCQAFRVRDMUBV-SFHVURJKSA-N 390.371 -0.079 30 20 GBED C=CCNC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(OC)cc1 679822196 XPLMSLAZPLSKQK-DOMZBBRYSA-N 397.453 -0.763 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCOc2ccc(C(=O)O)cc2)C1=O 736106368 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C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn(CCOC)c2C)C1 963087283 MOBGRXMFIHOWKZ-SIXLDLHFSA-N 392.456 -0.269 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CCOC)nn2)C[C@@H]1O 964615048 CZPUSNQSQJINPI-VDERGJSUSA-N 393.444 -0.793 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nn(CC)nc2C)C[C@@H]1O 964615238 KXUDVMZQRLJURW-KBXIAJHMSA-N 377.445 -0.111 30 20 GBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 1070025894 PUDOQDHZFXAFDG-FXUDXRNXSA-N 387.444 -0.687 30 20 GBED C#CCNC(=O)[C@@H](C)NCc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 1105288880 XQZJFGGVTOYZSS-XTENKEOPSA-N 398.467 -0.688 30 20 GBED Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)CCn2cc(C#N)c(O)nc2=O)cn1 1154158189 NPGBSVKPRDLXKK-QWVSSGJLSA-N 390.425 -0.724 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](C)C1 1208580658 XFLLVXJPYWSIFG-APIJFGDWSA-N 379.461 -0.782 30 20 GBED O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCN/C(O)=C1\N=CC=CC1=O 1318695027 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381.404 -0.215 30 20 GBED C=CCCn1cc(C(=O)N[C@H]2CCCN(CC(=O)NCc3cnn[nH]3)C2)nn1 1575100330 PJVUFISMBQYYLT-ZDUSSCGKSA-N 387.448 -0.517 30 20 GBED C=CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)c2ccn(C)n2)CC1 1575104967 YOWQYPDRFMMERC-UHFFFAOYSA-N 386.460 -0.053 30 20 GBED N#Cc1ccc(C(=O)NC[C@]2(O)CCN(c3ccc(-c4nn[nH]n4)nc3)C2)[nH]1 1581867409 HCMLNOWKZMWKPL-QGZVFWFLSA-N 379.384 -0.167 30 20 GBED C#CCN(C(=O)C(N)=O)C1CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 1588347860 YKOMFGMULXSIFH-UHFFFAOYSA-N 385.403 -0.083 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588499266 HWXQHILBBDKDLU-BDJLRTHQSA-N 377.405 -0.929 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CNc1ncc(-c2nn[nH]n2)cc1F 1588500086 QOAQHGVXKZWDOG-BZNIZROVSA-N 379.396 -0.041 30 20 GBED N#Cc1ncn(CC(=O)Nc2ccc(N3CCC(O)CC3)c(-c3nn[nH]n3)c2)n1 1592709509 HGVVSEAFVCCVJP-UHFFFAOYSA-N 394.399 -0.070 30 20 GBED C#CCN(CC(=O)O)C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1602681994 CMTXEJCVZKWSIK-UHFFFAOYSA-N 381.410 -0.787 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1778780941 JJNZJZQZZZHFDY-QAPCUYQASA-N 379.413 -0.706 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1781392978 IADKHWYPKSVDPS-GDZNZVCISA-N 382.417 -0.274 30 20 GBED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)CNC4=O)C[C@@H]32)C1 1783459193 DYTYTFLMNRNIRF-QEJZJMRPSA-N 390.440 -0.516 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C)COC3)C[C@@H]21 1783528553 WVJTWHGIMSEMGP-PVPAMPSESA-N 391.468 -0.139 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccn3nccc3c1)CCO2 1783564780 MKXQOQDTJHKVPU-LJQANCHMSA-N 382.376 -0.134 30 20 GBED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1783887428 YMKWCWUPSFMJHD-SJKOYZFVSA-N 381.454 -0.550 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783982372 QEDZIWXFWJDWRB-NOZJJQNGSA-N 383.392 -0.187 30 20 GBED CN1CC(C(=O)N2CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1 1784783020 ALLGAKSXAGAPAP-ATASCALFSA-N 377.489 -0.150 30 20 GBED NC(=O)c1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1789090470 DBRSOCFGCRCBHM-KKUMJFAQSA-N 397.435 -0.418 30 20 GBED COc1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cn1 1791074401 ZMPMMXKPXBVMEJ-OBJOEFQTSA-N 388.380 -0.834 30 20 GBED CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)S)[C@H]2C1 1791260627 PDIORUKFELMBRO-CYDGBPFRSA-N 378.516 -0.281 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1794012132 AMOZUOQBNXEQQQ-FQUUOJAGSA-N 393.444 -0.023 30 20 GBED N#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 1795854606 OAIUBUSNCWBTKI-QDMKHBRRSA-N 382.486 -0.341 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cnc[nH]1 1796328634 YJFHEPAXWFYBHP-CNWIRUGESA-N 387.440 -0.600 30 20 GBED O=C(COCCO)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1799339152 OPSKIEIWKRKYMU-VJDUQAHASA-N 379.413 -0.703 30 20 GBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1ccco1)C2 1800985722 NFWPFAHAIMENOY-OHTBPHCPSA-N 381.454 -0.083 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3)CCO2)C1 1834025090 VSAJKJZJOCABHK-HNAYVOBHSA-N 388.424 -0.415 30 20 GBED COCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1835232531 LVABGFPGSCDLBW-GOSISDBHSA-N 376.413 -0.007 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338596 MYYGEXXLPUOFNU-DNVCBOLYSA-N 375.425 -0.215 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)CC1 1835338629 NYVSBDWCMISMBC-GOSISDBHSA-N 392.412 -0.801 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1837391173 JELHMWYRLQYUME-QMOQVAMLSA-N 396.484 -0.213 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1839713201 XKDLOXTZGMXQKD-QAPCUYQASA-N 375.429 -0.291 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1840173794 RQEOHTCVCWGFCB-YOEHRIQHSA-N 385.417 -0.917 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 15482726 VPNUILSXLSZOFJ-UHFFFAOYSA-N 393.465 -0.096 30 20 GBED C/N=C(/NCC1(N(C)C)CCOCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 262816039 VPHFFOFBEKOUGB-INIZCTEOSA-N 381.521 -0.004 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CN(C)CCN1C 268852604 YJKUOCUXKJAOHT-HIFRSBDPSA-N 379.486 -0.413 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NC[C@@H]1CCc2nnc(C)n2C1)c1cc[nH]n1 278076669 WOQPLHKYILXOKN-DWXAVSTPSA-N 389.416 -0.028 30 20 GBED C[C@@H](NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccc(C#N)cc1 283506676 BFNSBDVJFJYVHO-CYBMUJFWSA-N 396.411 -0.907 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCC(=O)N2CCOCC2)cc1 289813798 OJHFUYCYKFHDIJ-UHFFFAOYSA-N 380.426 -0.798 30 20 GBED CNS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 292449356 NLLSIDBXXZOQKB-UHFFFAOYSA-N 376.435 -0.096 30 20 GBED C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1ncn(C)n1 348395091 VYRVEZQQBHAABO-NEPJUHHUSA-N 393.491 -0.400 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)CO)ncc1C#N 349470662 CQXVTSSWBXDWDZ-GFCCVEGCSA-N 390.487 0.036 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2cccc(OC)c2)CC1 369989585 ZCAGNIYAKNBFLQ-UHFFFAOYSA-N 386.452 -0.291 30 20 GBED C[C@@H](C#N)CNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 537011750 MHQMJBNXTGJIEX-XJKSGUPXSA-N 386.408 -0.085 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)c2nc(N)nc(N3CCOCC3)n2)CC1 566324675 VPEUQHVCUKOENP-UHFFFAOYSA-N 394.439 0.124 30 20 GBED CNC(=O)CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)C#N)cc1 570528728 BWQAFBNOGFXMSJ-UHFFFAOYSA-N 388.471 -0.366 30 20 GBED C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 572016359 WKHDHISIFLNORI-LLVKDONJSA-N 386.455 -0.660 30 20 GBED C[C@H]1CC(=O)NCCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 588866438 XJVRWGQFXLCKJF-BBRMVZONSA-N 397.435 -0.093 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)O1 589478904 SOOURWUBYIDJHX-HIFRSBDPSA-N 394.453 -0.411 30 20 GBED Cc1cc(N2CC[C@H](CO)[C@H](O)C2)c(C#N)c(N2CC[C@H](CO)[C@H](O)C2)n1 596205677 FQIXRCKFWDBJIQ-DTTOXWODSA-N 376.457 -0.379 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 610425143 BLNDVEUTOQPRBO-CQSZACIVSA-N 396.473 -0.916 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCCS(=O)(=O)N2CCCC2)CC1 728530891 XVHYAANTMFLOOK-UHFFFAOYSA-N 384.502 -0.914 30 20 GBED CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(F)cc1OCC#N 784968219 CJBNEIJJOGSMBV-CQSZACIVSA-N 394.403 -0.182 30 20 GBED C[C@@H](OC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)NC1(C#N)CCC1 785659224 BQBYACFWAKUGLX-HUUCEWRRSA-N 392.456 -0.339 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 785663760 YLHAXQBUYZOYAI-UONOGXRCSA-N 396.444 -0.889 30 20 GBED CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)O)CC1 820032686 CHCMTZJMYPJVBJ-OAHLLOKOSA-N 375.447 -0.110 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2cnnn2C)cc1 848942477 MMTJWJFCFKQQHC-NSHDSACASA-N 398.470 -0.174 30 20 GBED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C3CCC3)c2)c1=O 901556920 ICSQJHXBNKQVJI-UHFFFAOYSA-N 399.476 -0.270 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)CCn3cncn3)C[C@@H]21 960981728 TVIRLZKAARGULH-FXUDXRNXSA-N 375.429 -0.303 30 20 GBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)nc1 970852376 LNFFQZZSGKZFNP-IDCNUPLLSA-N 379.420 -0.098 30 20 GBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2ccc(O)nc2=O)c1 1003833502 IPLCKUYKTIVPLM-BZPMIXESSA-N 382.380 -0.289 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3nnn(C)c3c2)C[C@H]1O 1025710354 KVHHFZYNDTYZOF-WNOSKKOXSA-N 385.424 -0.139 30 20 GBED CNS(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(C#N)n1 1092886216 GITDADJMGHLUSC-RDBSUJKOSA-N 378.458 -0.178 30 20 GBED N#CCn1cc(NC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cn1 1116857046 DYHOLEBWWDBCSW-CYBMUJFWSA-N 380.430 -0.628 30 20 GBED Cc1c(Br)c(C)n(NC(=O)[C@H]2CCS(=O)(=O)N2)c(=O)c1C#N 1118384323 SBLHQUFVVIPFJL-SECBINFHSA-N 389.231 -0.139 30 20 GBED C=C(C)Cn1c(CS(C)(=O)=O)nnc1N1CCN(CC(=O)N(C)C)CC1 1122465171 VNWVPMZZEUMTGX-UHFFFAOYSA-N 384.506 -0.391 30 20 GBED C=CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCCO[C@H]2C=C)C1 1128993614 HNXCZGXJDREYID-NCOADZHNSA-N 388.472 -0.097 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2CNCC(N)=O)n[nH]1 1130213058 RLZNCYPLWZXTDZ-CRWXNKLISA-N 392.460 -0.651 30 20 GBED C=CCNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 1319873146 HCTIOPVKTFSDBX-UHFFFAOYSA-N 388.471 -0.919 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(=O)n(CCOC)c2)C1=O 1322600806 IPDVIHWLJJLURU-AWEZNQCLSA-N 376.413 -0.322 30 20 GBED CC[C@H](NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C1CCOCC1 1323381250 RSQFZPRUKTVKBJ-PVEMMZBWSA-N 378.429 -0.050 30 20 GBED NC(=O)N1CCC[C@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1324326805 IKJBKDYQMAJTLX-LLVKDONJSA-N 379.442 -0.368 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CCO1 1325475488 YYVNWVRSOFVEOS-ZDUSSCGKSA-N 391.428 -0.502 30 20 GBED C#CCCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)NCCOC)cc1 1325759311 OWOWHBHADHDCQW-UHFFFAOYSA-N 381.454 -0.243 30 20 GBED CS(=O)(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1 1330202731 MPQIGAWJPMMEOW-CQSZACIVSA-N 376.438 -0.012 30 20 GBED N#Cc1ccc(N2C[C@H](C(=O)NCCN3CCS(=O)(=O)CC3)CC2=O)cc1 1338492145 CGMRBBSOVWZWOD-OAHLLOKOSA-N 390.465 -0.242 30 20 GBED Cn1cc(C(=O)NCC2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cn1 1339915074 RFWIJRLZFHKRJW-HNNXBMFYSA-N 396.473 -0.669 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OCC(=O)O)cc2)CC1 1573310998 GLXMNDDFDQGUMY-UHFFFAOYSA-N 381.410 -0.625 30 20 GBED CC(C)(C)C#CC(=O)NC[C@@H]1CCC2(CN(CC(=O)NCc3cnn[nH]3)C2)O1 1575245144 ASJHSEYXYVPAIK-HNNXBMFYSA-N 388.472 -0.180 30 20 GBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c(C#N)cn1 1580976270 ADHJVXVZNPJTFM-HIFRSBDPSA-N 379.384 -0.251 30 20 GBED C=CCNC(=O)NC(=O)CN(C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588658233 CPPJNZIZAQOWMK-SNVBAGLBSA-N 389.420 -0.743 30 20 GBED C=CCn1cc(C(=O)N2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2C)nn1 1588711879 XDCFAQXZMJZNDP-NSHDSACASA-N 381.404 -0.215 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2O)cn1 1602736815 HGSDPTCBMVCDGZ-UONOGXRCSA-N 391.395 -0.597 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1781272102 WPVPFUAOYFWTSG-IBGZPJMESA-N 395.456 -0.148 30 20 GBED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781421806 NOPFPAOPMSKPOV-JHBOHYQCSA-N 386.412 -0.180 30 20 GBED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2 1784198078 XHKIXXSCXZUCOZ-IBGZPJMESA-N 375.473 -0.150 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@H]2C1 1786677031 XCWIWURUDAKYFA-ARKGTOAJSA-N 393.484 -0.182 30 20 GBED CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1788562334 NGPBZCFUBVPLSJ-AJNGGQMLSA-N 391.472 -0.023 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOC 1795352861 RGDYJDPWLGSFMS-KQLJBOCNSA-N 395.456 -0.903 30 20 GBED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 1795466514 BRELWHSYPBMWKT-SCAQPMJSSA-N 378.473 -0.152 30 20 GBED Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1795977255 GNKVMVXGGRLINJ-AGGWBTHJSA-N 389.460 -0.402 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2n[nH]cc2c1 1796150095 OQFGPJMIZXQAQH-ZSBFGKGUSA-N 382.376 -0.146 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN(C)C1 1799113552 FPAHKNSXPPDSEZ-HSFUPAIVSA-N 377.485 -0.044 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S 1804335951 IBWGUNYILJATPQ-JGPRNRPPSA-N 395.462 -0.427 30 20 GBED CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812651537 CAZIRUHDMTVNST-MRAWALMUSA-N 386.408 -0.300 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cc(O)ncn2)[C@@H]1c1cccnc1 1812874607 WKXZLKHSWBSTNT-FZKQIMNGSA-N 395.375 -0.015 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(OC)OC)C2)C1 1831388391 RYZUEIPOHUXEAV-KSSFIOAISA-N 384.429 -0.900 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(C)=O)C2)C1 1831391709 UPQOABKBCLKZMF-VQIMIIECSA-N 380.441 -0.150 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1831487075 JYHJNZYYVFYVAI-NVXWUHKLSA-N 397.501 -0.311 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc[nH]3)CCO2)C1 1834097914 UPVGLKUALDSZNF-KDOFPFPSSA-N 376.413 -0.482 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835258242 MVHUSEWBGIUJNK-WMLDXEAASA-N 388.486 -0.300 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1839216209 HSJOBZVIMDZUEW-OXJNMPFZSA-N 391.468 -0.133 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N(C)CC)CCO2 1839637745 RZWLUKHXDFYMLS-HLIPFELVSA-N 395.500 -0.179 30 20 GBED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839890585 HRDKHQCONJWWCA-MRXNPFEDSA-N 386.351 -0.258 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CCc1nc(N)n[nH]1)C2 1841054865 OLIGYDPNSGUYON-ALCCZGGFSA-N 387.444 -0.619 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1841600142 IEUUHSWLOUDYDF-OAHLLOKOSA-N 397.497 -0.346 30 20 GBED NC(=O)[C@@H](N)CCC(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1842946262 XFDDHIWDOVGOPL-HNNXBMFYSA-N 390.484 -0.519 30 20 GBED CN1C(=O)C(=O)N(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 16877410 OGPYRXAQEYFZMX-UHFFFAOYSA-N 391.409 -0.757 30 20 GBED C/N=C(/NC[C@H]1CCCN1S(C)(=O)=O)N[C@@H]1CCc2nc(COC)nn2C1 262021873 ZARAVBYDMYEXBZ-CHWSQXEVSA-N 399.521 -0.672 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(C)C2=O)cc1 265684147 CPEKHJVOCIDISA-CQSZACIVSA-N 394.453 -0.222 30 20 GBED CN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 277188677 ZYKSQFXFMLJEQJ-ZDUSSCGKSA-N 383.364 -0.804 30 20 GBED COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NCCn2cnc(C#N)n2)c1 285685828 RLFUKDVUYYPYSV-UHFFFAOYSA-N 393.381 -0.299 30 20 GBED CNC(=O)CN1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 298775293 UIMPWUHOKRQLBJ-UHFFFAOYSA-N 378.454 -0.637 30 20 GBED C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1noc(C)n1 348390571 SOFPXSLRQLQBHO-MNOVXSKESA-N 380.448 -0.227 30 20 GBED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@@H](O)CC[C@H]2C1 349492228 KOBMGYWMSQZQRT-XGUBFFRZSA-N 393.531 -0.123 30 20 GBED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 349593698 SKSIPIIGGRYIMM-CHWSQXEVSA-N 392.503 -0.718 30 20 GBED CCOc1ccnc(N2CCCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)n1 409483766 JIGGWGTUKJFHAC-AWEZNQCLSA-N 396.473 -0.143 30 20 GBED C=CCOc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)c1 424439034 MWZCZRLWLWGTDJ-ZDUSSCGKSA-N 382.394 -0.100 30 20 GBED COC(=O)CN(CC#N)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 477015108 VMQVMBDNJIKNPP-UHFFFAOYSA-N 375.428 -0.707 30 20 GBED COC(=O)CN(CC#N)CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 485080435 XRKQBTJUSZCCPO-UONOGXRCSA-N 387.458 -0.820 30 20 GBED N#Cc1cccnc1N1CCN(C(=O)NC[C@H]2CS(=O)(=O)CCO2)CC1 509840030 OWXJGUIXUYYAMR-AWEZNQCLSA-N 379.442 -0.402 30 20 GBED Cc1cc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)n(CCC#N)n1 519440107 IFUFOBUTURWLKV-UHFFFAOYSA-N 384.400 -0.119 30 20 GBED Cc1nnc(SCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)n1CC(N)=O 537070853 VVOMXIYXKRKDQO-ZDUSSCGKSA-N 379.490 -0.144 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCc4n[nH]cc4C3)CC2)c1C#N 559892668 FAPDVRGYOHHDEO-AWEZNQCLSA-N 396.455 -0.354 30 20 GBED N#CCCC1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CC1 563139668 BJPXZBSMQYEETJ-MRXNPFEDSA-N 375.473 -0.048 30 20 GBED N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)nc1N 572542078 SEOVJRCNISGDPB-UHFFFAOYSA-N 376.398 -0.262 30 20 GBED CN(C)S(=O)(=O)CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 575378187 GEGQIPGIFYHWDN-HNNXBMFYSA-N 393.469 -0.150 30 20 GBED C=CCn1cc(CNC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)nn1 582238285 XHVGPCRBGUILRA-OAHLLOKOSA-N 398.489 -0.200 30 20 GBED C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 584297033 SHXFGHJYAXKSCB-SMDDNHRTSA-N 385.467 -0.272 30 20 GBED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)NCC[C@]2(O)CCOC2)c1 594629785 CPZMGHVCTSYDEE-AWEZNQCLSA-N 389.455 -0.692 30 20 GBED CS(=O)(=O)N1CCN(CCNS(=O)(=O)CC2(C#N)CCCCC2)CC1 613913819 VHWIRADZOPTLLX-UHFFFAOYSA-N 392.547 -0.043 30 20 GBED C=C(CNS(=O)(=O)C[C@@H]1CCCO1)CNS(=O)(=O)C[C@@H]1CCCO1 660130485 XKBPDPYCONCQLZ-KBPBESRZSA-N 382.504 -0.261 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 730276719 BBNRGFFWYHFZFJ-BBWFWOEESA-N 398.529 -0.418 30 20 GBED C[C@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCS(=O)(=O)C1 762673784 RJWRQTRDBCMVQE-NSHDSACASA-N 385.467 -0.382 30 20 GBED COC(=O)CNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767629137 IKEXDNCJVKPVKV-SNVBAGLBSA-N 383.382 -0.943 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)c1cc[nH]n1 772231473 UBDVQSVJBBUBKS-HUUCEWRRSA-N 393.444 -0.249 30 20 GBED CC#CCS(=O)(=O)NC(=O)Cc1c(C)nn(-c2cncc3nnnn23)c1C 810777911 KWBGZINMGCDEOQ-UHFFFAOYSA-N 388.413 -0.666 30 20 GBED C#CCCS(=O)(=O)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 810783130 GKZQYPABATVDCO-UHFFFAOYSA-N 389.411 -0.315 30 20 GBED N#CCCOCCOC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 815186089 KCQQXPYOLZOKCS-UHFFFAOYSA-N 381.410 -0.106 30 20 GBED Cc1cc(-c2nn[nH]n2)ccc1C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 826243337 DRLWTOLJAODHCH-CYBMUJFWSA-N 388.409 -0.245 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 826381276 FOMUPRPKUVMJNK-INIZCTEOSA-N 385.428 -0.025 30 20 GBED C[C@H](Oc1ccc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)cc1)C(=O)O 827890611 VSPIELFGDQNYIF-JTQLQIEISA-N 398.400 -0.726 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H]2C(=O)Nc3c(F)cccc32)CC1 828749121 FXXAWCYXTCONBC-CYBMUJFWSA-N 394.428 -0.137 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 875595304 ADQROJLRSHIEJH-HUUCEWRRSA-N 378.473 -0.658 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCO[C@H]3C(=C)C)C[C@@H]2O)nn1 963317608 MFBSSEASAUQZSA-XRGAULLZSA-N 375.429 -0.253 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2c(C)nn(C)c2C)C[C@@H]1O 970711365 DBTBKLLNKXPMGR-SIXLDLHFSA-N 376.457 -0.142 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2cncnc2)C1 990855297 DPTPEJDITNNSJV-WCVJEAGWSA-N 383.412 -0.159 30 20 GBED C#Cc1ccccc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1023952414 SHTKEHPCKMQHSG-BNEJOLLZSA-N 383.448 -0.187 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1043246267 HNSGCNDXDOSTFJ-QPSCCSFWSA-N 379.457 -0.441 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(CC(=O)N2CCNC(=O)C2)[C@@H]1C 1088914206 PCGVOQCQXDOXOF-LLDVTBCESA-N 378.473 -0.495 30 20 GBED C[C@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1)c1ccc(C#N)cc1 1117012454 IURJNKMTPCXPRX-ZDUSSCGKSA-N 394.453 -0.486 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCS(=O)(=O)C1 1248578479 GELGMDQPULIPJD-NSHDSACASA-N 385.467 -0.334 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O 1320230807 QPXVYGXPXVJXSJ-UHFFFAOYSA-N 394.453 -0.133 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cn(CC(=O)N(C)C)nn1 1322491383 ONZGASSKKVVFQB-GFCCVEGCSA-N 383.416 -0.621 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1323699261 RHJNZYCLHSQMNI-INIZCTEOSA-N 378.473 -0.702 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)S(=O)(=O)C2CCOCC2)CC1 1340515479 OGFWEGWTGIJFNZ-HNNXBMFYSA-N 399.513 -0.748 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 1342228896 NJRWBXCQQUPRLB-GFCCVEGCSA-N 381.410 -0.175 30 20 GBED C=CCN(C(=O)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1)[C@@H](C)COC 1350527655 LAFMRVKKVFULMW-ROUUACIJSA-N 396.532 -0.051 30 20 GBED C=CCn1c([C@H]2CCNC(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1520453427 OFRJYAJABISRNZ-AWEZNQCLSA-N 375.477 -0.332 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2O)nn1 1573351305 PYGQHECDZMTYHM-BXUZGUMPSA-N 382.388 -0.981 30 20 GBED C[C@H](C#N)C(=O)N1CCC(N(Cc2cnn[nH]2)C(=O)c2c[nH]c(=O)cn2)CC1 1575176157 FBBRZWRAOPHSNT-LLVKDONJSA-N 384.400 -0.319 30 20 GBED Cn1c(=O)[nH]c(N2CCC[C@@](C#N)(c3ccccn3)C2)c(-c2nn[nH]n2)c1=O 1581746859 OZXIHFJPBDVRPQ-KRWDZBQOSA-N 379.384 -0.290 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[nH]n3)C2)CC1 1588352271 XNJNCIGQISHYBD-CQSZACIVSA-N 381.444 -0.303 30 20 GBED C#CCNC(=O)CN[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588354779 ZAROAGUXFNBRRW-WFASDCNBSA-N 384.444 -0.083 30 20 GBED C#CCOCCC(=O)N[C@@]1(CO)CCCN(c2nccnc2-c2nn[nH]n2)C1 1588359638 VILCLLJCOSUMOX-KRWDZBQOSA-N 386.416 -0.856 30 20 GBED C#Cc1cccc(NC(=O)NC(=O)CN2CCS(=O)(=O)C[C@H]2C(=O)O)c1 1588439967 WUBYIJRKPVUFAY-ZDUSSCGKSA-N 379.394 -0.500 30 20 GBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nn1 1588713257 INEAORJWVALBAI-NSHDSACASA-N 382.388 -0.383 30 20 GBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCCO1)c1c[nH]c(-c2nn[nH]n2)c1 1593044041 DWJOXRURJPTACD-AWEZNQCLSA-N 383.412 -0.045 30 20 GBED COc1cc(C#N)ccc1S(=O)(=O)N(CCN1CCOCC1)CC(=O)O 1599350279 IWBORKPAQOXSGC-UHFFFAOYSA-N 383.426 -0.026 30 20 GBED COC[C@H](C#N)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1605042345 XZFUZQBCZCMNSZ-ONGXEEELSA-N 380.386 -0.385 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N2CCc3ccc(-c4nn[nH]n4)cc32)CC1 1606350126 QOUABRPCZNLNML-UHFFFAOYSA-N 380.412 -0.140 30 20 GBED N#Cc1ncn(CCNC(=O)N2CC[C@@H](Oc3ccc(-c4nn[nH]n4)cn3)C2)n1 1606398691 SIZMVFDUSDZHKS-GFCCVEGCSA-N 395.387 -0.412 30 20 GBED C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1750071131 WKRZUXCGVZVBHD-LRDDRELGSA-N 391.457 -0.119 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780247645 TUUMZAGUSCBILF-KUHUBIRLSA-N 390.440 -0.214 30 20 GBED C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010899 KGUCJJGNSIUXKW-VEVIJQCQSA-N 379.413 -0.900 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccn3)C[C@@H]21 1783530409 YRNVXPJCXGYOTC-RZXAPVBSSA-N 399.451 -0.072 30 20 GBED CN1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)CC1 1788191572 RSDOFHKOJAFRFZ-ULQDDVLXSA-N 377.489 -0.483 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CC)C2 1793340360 TWXWQTFSOUFKEO-LBKYZSNHSA-N 379.457 -0.471 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1C)C2 1793345620 RUBLXASCVBOXEY-LFYQSXPISA-N 377.441 -0.765 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1797590095 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-0.009 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 281211476 CKGSEWCROXITIQ-INIZCTEOSA-N 376.394 -0.103 30 20 GBED CNS(=O)(=O)c1ccc(CNS(=O)(=O)N(CCC#N)CCOC)s1 282959300 VVULQJQZMOOFEL-UHFFFAOYSA-N 396.516 -0.147 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@H]3CC(C(N)=O)=NO3)C2=O)cc1 297290832 LQUXTJMGLJVAJZ-ZIAGYGMSSA-N 384.396 -0.017 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3CC[C@](C)(C(N)=O)C3)CC2)c1C#N 297638315 DFMXLBUUAUYLTM-KRWDZBQOSA-N 390.469 -0.304 30 20 GBED CS(=O)(=O)N1CCC[C@H](N/C(O)=N/C[C@H]2CCN(S(C)(=O)=O)C2)C1 328774335 DYBXIQZLYFAGPS-NEPJUHHUSA-N 382.508 -0.805 30 20 GBED CC(=O)N1CCN(C(=O)CC/N=C(/O)CN2C(=O)[C@@](C)(C3CC3)N=C2O)CC1 329257827 DEZBFTWNYAOILV-GOSISDBHSA-N 393.444 -0.051 30 20 GBED O=S(=O)([C@@H]1CCCN(/C(O)=N/[C@H]2CCc3ncnn3C2)C1)N1CCOCC1 329321375 JDLZFGCAKJCROD-UONOGXRCSA-N 398.489 -0.367 30 20 GBED CC/N=C(/O)N1CC[C@H](/N=C(/O)Nc2ccn(CCN3CCOCC3)n2)C1 329952028 IOHOKFPWAQKYDI-AWEZNQCLSA-N 379.465 0.549 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N)C(C)(C)C1 349493307 ANBFPXXWKIQSCE-UHFFFAOYSA-N 391.519 -0.589 30 20 GBED C#CCCN1CCC(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 369758009 RSGVUMWLRIFZHN-QGZVFWFLSA-N 376.501 -0.229 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN([C@@H](CC)C(=O)OC)CC2)C1=O 410882214 GWRJDUUMJDNMCK-LSDHHAIUSA-N 394.472 -0.673 30 20 GBED C=CCN(C)CCN(CC)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 411648147 ZOKIGDCBLPSDDT-KRWDZBQOSA-N 386.562 -0.243 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)C1=O 440284424 RPVPTJXKPGZBGH-HNNXBMFYSA-N 382.424 0.510 30 20 GBED CN(C)S(=O)(=O)N[C@@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)C1CCCC1 450803144 AHPSTYICCYEUBT-ZDUSSCGKSA-N 398.489 -0.678 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@@H](O)[C@@H]32)CC1 550657810 TZWQYOLEFKEYHU-ZFKGVUTHSA-N 388.512 -0.261 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](CO)C3CCOCC3)CC2)o1 578355405 JWRFPCDUKKXSRB-INIZCTEOSA-N 377.445 -0.120 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NC2(C(N)=O)CC2)cc1 579003735 AEHHMQPKKMDPDY-JTQLQIEISA-N 386.455 -0.485 30 20 GBED CCOC(=O)C[C@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 597675110 DDDBJYVOXOAQFM-WCQYABFASA-N 383.426 -0.345 30 20 GBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@@H](O)COc1ccc(CC#N)cc1 610967640 MEEAJSUWRNLIMF-JKSUJKDBSA-N 395.481 -0.273 30 20 GBED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1cccc(C#N)c1 728765016 XZVLECOVZSRPDN-CQSZACIVSA-N 378.410 -0.510 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)C1=O 732786497 CQAYKIQIRAEZAS-SECBINFHSA-N 390.318 -0.415 30 20 GBED N#Cc1ccc([C@@H](C(=O)O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 739106778 UBUJSGZIRTXRCL-INIZCTEOSA-N 394.453 -0.121 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](CO)Cc2cnn(C)c2)cc1 773437945 IDQDFGLYGXOAAG-OAHLLOKOSA-N 390.465 -0.087 30 20 GBED Cc1cc(C(=O)NS(=O)(=O)CCCC#N)nc2c1c(=O)n(C)c(=O)n2C 776122189 AOSNTRNPXWWMCZ-UHFFFAOYSA-N 379.398 -0.696 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3NC(=O)O[C@@H]3C)CC2)o1 786063089 JVKBNUMSBJIRFM-NOZJJQNGSA-N 377.357 -0.457 30 20 GBED C[S@](=O)CCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 804998136 ZVLWLOSYJIXZIE-SANMLTNESA-N 379.442 -0.433 30 20 GBED C=C[C@@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 814547054 RFXACBRCBIMXBN-GFCCVEGCSA-N 387.414 -0.786 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C(F)(F)F)nn2C)CC1 831579800 QACIRXDMGLNSKG-UHFFFAOYSA-N 379.364 -0.336 30 20 GBED N#C[C@@H]1CNC[C@@H]1NC(=O)CNS(=O)(=O)c1cccc(Br)c1 843461679 WCWQYEHXNWZLAO-SKDRFNHKSA-N 387.259 -0.045 30 20 GBED CCN(CC(=O)NC)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 848943691 WXWWYKTYFSAZCJ-NSHDSACASA-N 388.471 -0.366 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)co2)C1 970598565 WSKSYVDKTFAGMU-XFMPKHEZSA-N 377.397 -0.339 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC(=O)NC(=O)C1 1006383746 HCAGEAODCLLDBH-ZSAUSMIDSA-N 375.425 -0.122 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 1022770774 JWNMWSWQSABDLI-ZJOBFFGXSA-N 390.440 -0.421 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cn(CC)nn2)C[C@H]1O 1023958174 JWHPTPSXEXJCJA-FPCVCCKLSA-N 377.445 -0.490 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(C)(C)N1CCOCC1 1109843616 USXUMWVUILOGKD-NCOADZHNSA-N 376.501 -0.043 30 20 GBED Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC(=O)N(C)C)n(CCC#N)n1 1261612574 WYVADPXYMUTXIE-UHFFFAOYSA-N 377.449 -0.478 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 1322760015 JEDZQLFAMONNQE-RNJZADNYSA-N 392.412 -0.965 30 20 GBED N#Cc1ccc(C2=CCN(C(=O)C(=O)NCCN3C(=O)CNC3=O)CC2)cc1 1322816389 YZFXHPDHARBWBP-UHFFFAOYSA-N 381.392 -0.158 30 20 GBED N#CCC1CCN(C(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 1322840625 GIKGFWQKQDZTTA-QGZVFWFLSA-N 377.489 -0.339 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCO1 1325212390 FAONIRKJJFKNFR-SNVBAGLBSA-N 398.363 -0.832 30 20 GBED COCCOc1ccc(CNC(=O)C(=O)NC2CCN(CC#N)CC2)cn1 1327529003 JUTIKLBSPJYDJW-UHFFFAOYSA-N 375.429 -0.173 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 1327800590 XJGWPFVINWNDCA-SNVBAGLBSA-N 396.831 -0.240 30 20 GBED C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)C(=O)N1c1cnn(C)c1 1340170796 MHJBKMBLWTZRLC-WCQYABFASA-N 384.400 -0.221 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCc2nnc3n2CC[C@H](C(F)(F)F)C3)CCO1 1464523210 LCKYVXJSUHINMM-UWVGGRQHSA-N 394.379 -0.038 30 20 GBED C#CCNC(=O)CN1CC[C@]2(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCC[C@@H]12 1573286151 UVEZRBRKIFRYGW-RDTXWAMCSA-N 382.428 -0.329 30 20 GBED C=CCn1cc(C(=O)NC[C@@H](O)CNCc2ccccc2-c2nn[nH]n2)nn1 1573351949 XZNRWNVAHPLRRD-ZDUSSCGKSA-N 383.416 -0.475 30 20 GBED C=CCOCCN1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H]2CN(C)C(=O)N2)CC1 1575109869 FJLARAUOZOXKAP-INIZCTEOSA-N 391.476 -0.176 30 20 GBED C#Cc1cncc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1 1588380836 NHKZCKWFBFBVBX-CABCVRRESA-N 392.379 -0.814 30 20 GBED C=CCCOCC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588616373 FMGFZFNRYFBJEW-LBPRGKRZSA-N 389.416 -0.255 30 20 GBED C[C@@H](NCC(=O)NCC#N)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1589959137 UFXQCSZLZGLQSR-VXGBXAGGSA-N 385.432 -0.335 30 20 GBED N#CCSCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O 1592679618 WFAVTMQMENCJHR-ZYHUDNBSSA-N 390.429 -0.857 30 20 GBED C#CCO[C@@H](C)C(=O)NC1(CO)CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 1602727437 XSWKFMQHZLVOMO-ZDUSSCGKSA-N 385.428 -0.253 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C3(C#N)CCOCC3)CC2)c1-c1nn[nH]n1 1606109519 KKCAHROOVKYFCB-UHFFFAOYSA-N 385.432 -0.122 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1786569140 NRLLOMPCABADEW-QXKUPLGCSA-N 379.457 -0.164 30 20 GBED CC(C)n1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)n1 1791075775 YHKNJCNBQKHKAS-IHRRRGAJSA-N 389.412 -0.460 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCOCCOCCOC)[C@H]2C1 1791134578 XWMGZTLHEZWZIC-ULQDDVLXSA-N 382.457 -0.331 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)n1cnnn1)C2 1792569964 VVFPWABWKQFWTM-DPMPDIIESA-N 387.444 -0.269 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OCF)cn1 1794409582 ITJBDWSPAVVXIJ-CULMDFNYSA-N 392.343 -0.926 30 20 GBED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795420307 GGMMSNPMQUIODN-JYYAWHABSA-N 395.412 -0.625 30 20 GBED COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1797965971 IQLUTQSXSJBRFJ-XGUBFFRZSA-N 380.445 -0.723 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2 1799394862 YKRCKDKINIRKIF-MCYUEQNJSA-N 379.417 -0.747 30 20 GBED CC(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1825229873 YABZOESRDIYNKX-WPRPVWTQSA-N 378.410 -0.332 30 20 GBED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831207644 VJAHHVBTEGMBLS-YLJYHZDGSA-N 391.468 -0.229 30 20 GBED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1831414532 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CCS(=O)(=O)NCCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758355728 YJKLXOYRXHNNAT-NWDGAFQWSA-N 389.478 -0.016 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)C)nc1 770450399 HLJVAPUUMQWGOA-SNVBAGLBSA-N 384.414 -0.111 30 20 GBED C#CCCN1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 776593860 NWMFHPNQVRYMJD-ROUUACIJSA-N 397.541 -0.178 30 20 GBED Cc1nsc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1C#N 807988446 MIYVHZDRTALBFA-NSHDSACASA-N 390.512 -0.038 30 20 GBED CN(C)CC[C@@](C)(O)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 842252120 AGBSQFXZXPPHOM-QGZVFWFLSA-N 382.486 -0.066 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](N2CCOC2=O)C1 852904518 LGOALMYCUVWYRL-RYUDHWBXSA-N 394.475 -0.936 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 855695911 WKPYMRXHOWXZAS-UHFFFAOYSA-N 394.497 -0.310 30 20 GBED CS(=O)(=O)N=S1(=O)CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 859165088 SVHCGEIOOHQTPJ-UHFFFAOYSA-N 377.469 -0.010 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CCc2scnc2C)CC1 872514858 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CCN1CCC(N2CCCN(C(=O)C(=O)N3CC[C@](O)(CC#N)C3)CC2)CC1 1349349171 RGMXUFLVJQZWOM-HXUWFJFHSA-N 391.516 -0.118 30 20 GBED C[C@H](C#N)C(=O)N1CCN(CCN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1573569780 FIVJDUOJZZAGLF-GFCCVEGCSA-N 385.432 -0.429 30 20 GBED C[C@@H](C#N)C(=O)N1CCC(N(Cc2cnn[nH]2)C(=O)[C@H]2CCC(=O)NC2)CC1 1575176265 FJHLGWYAZHIDAI-STQMWFEESA-N 387.444 -0.190 30 20 GBED N#Cc1ccc(C(=O)N2C[C@H]3[C@H](NC(=O)c4ccc(-c5nn[nH]n5)[nH]4)[C@H]3C2)[nH]1 1581868391 SJWIPHZIWZYUPX-MSRIBSCDSA-N 377.368 -0.105 30 20 GBED C#CCN(Cc1cc(O)n2ncc(-c3nn[nH]n3)c2n1)[C@H]1CCS(=O)(=O)C1 1588350853 STHGKKGTAXBXEB-NSHDSACASA-N 388.413 -0.763 30 20 GBED C=C(C)[C@@H](CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@H]1O)OCC 1588401724 XKRDKTWGRYOUBL-JHJVBQTASA-N 388.432 -0.306 30 20 GBED N#C[C@]12CN(C(=O)NCc3cccc(-c4nn[nH]n4)c3)C[C@H]1CS(=O)(=O)C2 1606354762 STEAFPARJLXQJJ-XJKSGUPXSA-N 387.425 -0.054 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 1609492887 CUPDPUAOQGWODT-KGLIPLIRSA-N 389.441 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378.360 -0.598 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(Cl)nc1)C2 1800774281 HFPRBDSYOQNUKR-GNXNZQSNSA-N 378.772 -0.579 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnc3ccccn13)C2 1800774561 MGTHGBOIJQRCGE-VTEUUUEMSA-N 396.403 -0.446 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3ncccc13)C2 1800778356 OPDNUOLBFIDBMV-DPIQGUFMSA-N 382.376 -0.146 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1829926922 VLFXLRMHCUHDTE-KSSFIOAISA-N 380.397 -0.900 30 20 GBED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(O)O)CCO3)c1 1830403231 PJROYKSIWMWSAV-IBGZPJMESA-N 389.408 -0.753 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC=CCC1)CCO2 1830566941 ACPJXFVZKMTFAB-DNVCBOLYSA-N 376.409 -0.113 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1831420518 WLGGLAKYJDMDIX-KSSFIOAISA-N 383.445 -0.830 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NN(C)C(=O)CC1)CCO2 1832380752 KTORSFRJTBUNKL-IBGZPJMESA-N 390.440 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C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 288993659 YOWCDQQEJXWHOG-GDBMZVCRSA-N 387.440 -0.088 30 20 GBED N#CCCCC(=O)NCCS(=O)(=O)N1CCN(C(=O)CCCC#N)CC1 292269655 IRUGPEMLZULXOB-UHFFFAOYSA-N 383.474 -0.036 30 20 GBED CCN1CCN([C@@H](C)C/N=C(/O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 329307437 ZDOLAIRAFSUYFS-ZDUSSCGKSA-N 391.476 -0.584 30 20 GBED N#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@](F)(C#N)C1 349490163 GHEPGUYCUCSTDS-LBPRGKRZSA-N 377.423 -0.677 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C2(C#N)CCC2)C[C@H]1O 349528914 VNJDWONGAANRPJ-CHWSQXEVSA-N 379.504 -0.273 30 20 GBED C#CCCN1CCC(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 369758008 RSGVUMWLRIFZHN-KRWDZBQOSA-N 376.501 -0.229 30 20 GBED CC(C)(CC#N)CS(=O)(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 425238244 QPYLAPHJBKIYPS-UHFFFAOYSA-N 375.476 -0.014 30 20 GBED CNS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(C#N)cc2OC)CC1 431592940 UIUJSXZRLJHYBT-UHFFFAOYSA-N 388.471 -0.226 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 460687972 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C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)N2CCN(C)CC2)cc1 675571902 QSRKYRSRSVBAGM-UHFFFAOYSA-N 394.497 -0.003 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Cc2c(C)nc3[nH]n(C)c(=O)c3c2C)CC1 730284654 PYJXBEDFOHLZCJ-UHFFFAOYSA-N 398.467 -0.685 30 20 GBED CCN(CC)C(=O)CN1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 733893303 KMERLYKVUAKHDE-HNENSFHCSA-N 391.472 -0.085 30 20 GBED C#Cc1cccc(NC(=O)CN(C)C(=O)CCn2cc(S(N)(=O)=O)cn2)c1 749405674 ZDMONPSRRAEKPV-UHFFFAOYSA-N 389.437 -0.001 30 20 GBED Cn1cnc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cccc(C#N)c2)c1 756450756 DNCQGAOQJFXSHV-UHFFFAOYSA-N 377.382 -0.248 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccccn2)c1=O 758076023 LEOUACDUCMBIAN-UHFFFAOYSA-N 382.445 -0.406 30 20 GBED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 773954169 MZFVWBBAYNAFKG-MCIONIFRSA-N 375.429 -0.063 30 20 GBED CNS(=O)(=O)CCNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 784707765 WOKONKJJNHVRNP-JTQLQIEISA-N 388.471 -0.831 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H]2C(=O)Nc3c(F)cccc32)CC1 828749123 FXXAWCYXTCONBC-ZDUSSCGKSA-N 394.428 -0.137 30 20 GBED C#CC[C@@H](NC(=O)c1cccc(C(=O)N[C@H](CC#C)C(=O)OC)n1)C(=O)OC 839799445 LPZKJQWJTCBSSZ-HUUCEWRRSA-N 385.376 -0.329 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(N(C)C)C1 848956228 OHYOHEYSHXWRRI-UHFFFAOYSA-N 396.494 -0.231 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCCN1C(=O)CNC1=O 913215227 UFJXIDBJZNVQHM-UHFFFAOYSA-N 380.382 -0.790 30 20 GBED CN(CCNS(C)(=O)=O)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 1116059823 RFZFQMVWWPEVAR-INIZCTEOSA-N 379.442 -0.236 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1118939275 VWLFILBWYLTXCY-AWEZNQCLSA-N 391.428 -0.775 30 20 GBED C=CCN(CC=C)C(=O)CN1C[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)[C@H](OC)C1 1212422029 GLWYJUKRJWAZMZ-LHHMISFZSA-N 381.473 -0.194 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)CCN1C1CC1 1261850084 YVPXKJAUFNESGF-HNNXBMFYSA-N 387.419 -0.537 30 20 GBED CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1297312544 YBYZOSRPUCXTRR-ZDUSSCGKSA-N 399.473 -0.517 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@](O)(c2ccc(F)cc2)C1 1323996484 BLEKZQGIAGDVBR-KRWDZBQOSA-N 384.429 -0.037 30 20 GBED C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)C(=O)N1CCS(=O)(=O)CC1 1338843360 DTUJQYXGEGLZJG-ZDUSSCGKSA-N 379.438 -0.107 30 20 GBED C=CCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@@](C)(O)COC 1338982650 VDAFLKQCQQFGKT-SFHVURJKSA-N 394.476 -0.108 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1 1343313465 YJJFDUSEAZQMBT-HNNXBMFYSA-N 393.465 -0.207 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC[C@@H]1N1CCN(C)CC1 1345974162 VZMDXOCAFAOUCU-GJYPPUQNSA-N 377.489 -0.652 30 20 GBED C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)C(=O)N1c1cnn(C)c1 1346987912 NPGIKWSWBAGJSN-IUODEOHRSA-N 387.444 -0.866 30 20 GBED C=CCn1c(N(C)CC(=O)N2CCOCC2)nnc1C1(CO)CCOCC1 1520277692 AALOWTLRZQLZRL-UHFFFAOYSA-N 379.461 -0.200 30 20 GBED CC(C)NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1541696907 NSSHDKLSGJKXBO-CYBMUJFWSA-N 375.433 -0.233 30 20 GBED CC(C)N(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1541945906 NATGNKLSUWBFRO-UONOGXRCSA-N 399.521 -0.043 30 20 GBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O 1573335936 GDAKUAMRJHUOQC-GDLCADMTSA-N 389.416 -0.523 30 20 GBED C=C[C@@](C)(O)CC(=O)N1CCN(C2CN(C(=O)CCCc3cnn[nH]3)C2)CC1 1575075176 ZYQVSHOFFGXVJQ-LJQANCHMSA-N 390.488 -0.191 30 20 GBED CCC(=O)NCC(=O)N1CCC(N(Cc2cnn[nH]2)C(=O)[C@H](C)C#N)CC1 1576171883 INLCHTMHCXFHLX-GFCCVEGCSA-N 375.433 -0.190 30 20 GBED N#Cc1nccc(N2CC[C@@H](NC(=O)c3cncc(-c4cnn[nH]4)c3)[C@@H](O)C2)n1 1577719026 FZIWVXJLGGPBMR-HIFRSBDPSA-N 391.395 -0.102 30 20 GBED CCN(CCC#N)C(=O)CN(C)CCN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1577909586 ZEWSEFJGZPOCNO-UHFFFAOYSA-N 387.448 -0.039 30 20 GBED Cc1cc(=NC[C@@H](O)CN(C)C(=O)c2c[nH]c(C#N)c2)c(-c2nn[nH]n2)c[nH]1 1581014756 KWWBEULLXVOQMC-CYBMUJFWSA-N 381.400 -0.263 30 20 GBED N#Cc1c[nH]c(C(=O)NCC2[C@@H]3CN(c4nccnc4-c4nn[nH]n4)C[C@@H]23)c1 1581863088 WNFGRZIFKTVHES-RYUDHWBXSA-N 376.384 -0.031 30 20 GBED C#CCN1CCC[C@H]1C(=O)NCCCN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588351397 SEKFQIYMMACFFD-HNNXBMFYSA-N 384.444 -0.129 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588499345 HWXQHILBBDKDLU-ZBEGNZNMSA-N 377.405 -0.929 30 20 GBED N#CCSCC(=O)NC[C@H]1[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]12 1592679693 ZMZHZYXSTPXBCJ-RTCCRHLQSA-N 386.441 -0.114 30 20 GBED N#Cc1cn(CC(=O)N2CC[C@H](C(=O)O)C[C@H]2[C@H]2CCCO2)c(=O)nc1O 1601128698 BDRVQRBAQYXPKE-WCFLWFBJSA-N 376.369 -0.309 30 20 GBED COC(=O)[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C[C@@H]1C(=O)O 1606425609 LRHXQYRRXTWSBE-RRFJBIMHSA-N 380.445 -0.516 30 20 GBED N#Cc1c(CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cccc1C(=O)O 1608190251 BIARTZMSQQQSKX-HOTGVXAUSA-N 379.438 -0.468 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](CO)Cc1cnn(C)c1 1639488614 ZZKINCUTKSNUEI-SWLSCSKDSA-N 391.453 -0.322 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cnnn1C 1761483068 RGXGVZIJATZHOL-HZMBPMFUSA-N 397.440 -0.493 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2 1781272114 WQIBHTUCXVUXBI-KUHUBIRLSA-N 395.456 -0.150 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1783563807 AHODDJQGHIDQPT-SFHVURJKSA-N 388.380 -0.803 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784112759 SGNISGTVUSTZEI-SJLPKXTDSA-N 395.481 -0.304 30 20 GBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]2C1 1784444589 PZUDRJHUWFGGAW-UGUYLWEFSA-N 399.513 -0.293 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1830059741 KMEPPEUTMGIDHN-IBGZPJMESA-N 388.424 -0.060 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ncccn4)CCO3)C2)CC1 1833163319 RHKRFGUICOCHFV-IBGZPJMESA-N 385.424 -0.221 30 20 GBED Cn1nncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1833222798 KMLJTSUNGVJBFR-QGZVFWFLSA-N 376.417 -0.565 30 20 GBED CN(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1834940087 WVEUWNSYZICOAQ-LJQANCHMSA-N 395.504 -0.714 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1837396617 HOKBFGMTZNFUGF-YRNRMSPPSA-N 393.484 -0.456 30 20 GBED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)Cn3ccnc3)CC2)CC1 1837534950 RVVGAEWZZSNPIW-UHFFFAOYSA-N 388.424 -0.030 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CN)C2)C1 1839174475 FIHGNRWJHLORJJ-DNVCBOLYSA-N 397.472 -0.453 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(C)=O)C(C)(C)C)C2)C1 1839806719 WZIITRJBYOIYGX-LPHOPBHVSA-N 379.457 -0.373 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839881643 DUSLUJJSNDGDLB-LIRRHRJNSA-N 392.456 -0.339 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1840421312 OLKQSCMXISWWBE-HEHGZKQESA-N 383.474 -0.386 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CCC(N)=O)C1 1842881096 PQUARVUPMHMSAJ-ZDUSSCGKSA-N 380.445 -0.708 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846460788 DDQIROFEWKCZRJ-CYBMUJFWSA-N 376.413 -0.084 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCCN2C(=O)c3ccccc3C2=O)C1=O 116294259 HJCNQMYEPFCWCJ-UHFFFAOYSA-N 385.332 -0.197 30 20 GBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C#Cc1ccc2c(c1)OCO2 268514017 DFNIGSJECQVZBT-ZDUSSCGKSA-N 378.406 -0.472 30 20 GBED CCn1nccc1/C=c1\s/c(=C(/C#N)C(=O)NCCOC)n(CC)c1=O 269848075 AXHPEKPTNHCMAW-YEJJPGKBSA-N 375.454 -0.588 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 275322050 QAHHPFGTLQRRKN-QZTJIDSGSA-N 399.451 -0.759 30 20 GBED Cn1cc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1C#N 276813834 YAQFLEIPLSQUEJ-HNNXBMFYSA-N 386.499 -0.469 30 20 GBED Cn1cc(/C=c2\s/c(=C(\C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)cc1C#N 276909778 OSEQQDVKTMDONX-RHDIXFJISA-N 397.460 -0.545 30 20 GBED N#Cc1ncn(CCNC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)n1 287513166 ZFXONXDMYWENPB-UHFFFAOYSA-N 382.428 -0.202 30 20 GBED CN(CCOCCO)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 289112666 QESCCQPGAMBCJG-INIZCTEOSA-N 388.424 -0.363 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(CC#N)CC2)cc1 299637292 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C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 482794489 ADVQAOGNIVTAMB-SUHUHFCYSA-N 380.426 -0.626 30 20 GBED Cc1ccc(C(=O)NCCCNS(C)(=O)=O)cc1S(=O)(=O)NCC#N 521274032 JOOLBOHOAHQEMX-UHFFFAOYSA-N 388.471 -0.534 30 20 GBED N#Cc1cccc(C2(C(=O)N3CCN([C@H]4CS(=O)(=O)C[C@@H]4O)CC3)CC2)c1 526072399 FXXKGYOCKSXPPU-IRXDYDNUSA-N 389.477 -0.108 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)CC1 553733810 KDBPFLAMSJVASI-OAHLLOKOSA-N 386.518 -0.317 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@H]3CC[C@@H](CO)O3)n2)c(F)c1 584104098 RETJYNKRBTYOCM-OLZOCXBDSA-N 387.371 0.478 30 20 GBED C=CCCSCCNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 595127699 YAKNUBITQCJKBJ-UHFFFAOYSA-N 398.529 -0.585 30 20 GBED CC(C)(C)NS(=O)(=O)CCNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 598983709 RKEUXHLCBHGAES-UHFFFAOYSA-N 398.445 -0.895 30 20 GBED Cn1cc(C=NNc2ncnc3c2c(Br)nn3C)c(=O)n(C)c1=O 726738933 MARQYVHOEIBEFQ-UHFFFAOYSA-N 393.205 -0.031 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 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20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@@H]1O 1588351342 PEXGFLHGYQADEP-KBMXLJTQSA-N 382.428 -0.975 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CC[C@H](n3cc(C(=O)O)nn3)C2)CC1 1588838643 HTLAXLYQONSDCU-ZDUSSCGKSA-N 376.417 -0.484 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[nH]n3)c2)CC1 1602722360 OAXXJHHEDIAFHL-DLBZAZTESA-N 393.451 -0.136 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@H]2COC[C@@]2(C(=O)O)C1 1605698851 LIYAEAURIRJWSG-QFYYESIMSA-N 379.394 -0.715 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CNC(=O)CC2CCCC2)C1 1757191993 FLIFZPUSFXFXKI-NCOADZHNSA-N 393.484 -0.038 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1784035992 YRFJRNSWULFQAS-VCBZYWHSSA-N 377.441 -0.619 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)C3CC(=O)C3)C2)C1 1785404096 WIUJKYYQOXQLQZ-ZRHASKPBSA-N 375.425 -0.346 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788681487 XMTYOFVEYMXXPJ-CPXQMSAISA-N 387.392 -0.234 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cnn(C)c3)[C@H]2C1 1791666559 ZKIZHYWJZAGLFO-UBDQQSCGSA-N 388.468 -0.019 30 20 GBED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C)CC3)C[C@@H]21 1792172538 QVYXBLLOHJPWKL-BZSNNMDCSA-N 376.501 -0.373 30 20 GBED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@](C)(O)CC(=O)O)C[C@@H]21 1792175250 JEIZYQSLEIUJSS-XLPNERPQSA-N 380.441 -0.005 30 20 GBED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@](C)(O)CC(=O)O)C[C@@H]21 1792175251 JEIZYQSLEIUJSS-XMDUPGNXSA-N 380.441 -0.005 30 20 GBED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1792175760 ITXFLLPBCVUOJE-YHUYYLMFSA-N 382.482 -0.043 30 20 GBED Cc1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)cs1 1794081838 BOANDKZSJMEBGQ-DPIQGUFMSA-N 377.422 -0.328 30 20 GBED N#CCCC(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804187820 SYLXEFCPACSEJI-RDTXWAMCSA-N 398.423 -0.057 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)ncn1)CC2 1825661257 MCZMLZGBNRMHIH-QMMMGPOBSA-N 387.377 -0.048 30 20 GBED N#CCC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827396426 INESUZNGMVRARK-CQSZACIVSA-N 398.427 -0.040 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCOC)CCO2)C1 1830473362 AAFXGGMVTCXKJA-VQIMIIECSA-N 382.457 -0.092 30 20 GBED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831214991 GABPHTSZKXXKGO-QRWLVFNGSA-N 391.468 -0.277 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(=O)C3)C2)C1 1837405568 VKMRWAQPJLQNOP-JXFKEZNVSA-N 394.468 -0.005 30 20 GBED CC[C@@H](NC)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838736029 FQSWLFCLUACKFL-DNVCBOLYSA-N 389.456 -0.046 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1840175991 QEHMOLMMAPKABY-ROUUACIJSA-N 384.429 -0.365 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC3(CCCN3C(=O)CNCP(=O)(O)O)C2)c1 1842874527 JICVWURSUYLBCI-UHFFFAOYSA-N 381.329 -0.572 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](CNC(C)=O)C2)cc1 265344449 ACHJIOVFFGJTPT-INIZCTEOSA-N 388.424 -0.096 30 20 GBED COCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC 291587023 QOODSJFGPRJHIP-SMDDNHRTSA-N 383.426 -0.081 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 349621637 QMNTTXSBGURBCK-RMEBNNNOSA-N 391.515 -0.417 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1=O 374062966 UBKUVEUDNLCFAE-JKSUJKDBSA-N 378.473 -0.588 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@](C)(O)CN2CCOCC2)c1 443244263 YMFAZOJHLXZCCD-GOSISDBHSA-N 397.497 -0.036 30 20 GBED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccnn2C)c1=O 502039190 HBNQFZMNWTYTKS-UHFFFAOYSA-N 389.481 -0.291 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O 510493994 XPDFORSJRYMUOK-WFASDCNBSA-N 387.462 -0.454 30 20 GBED C=CCN(CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 533524699 KZIMHPZKYODWKP-OAHLLOKOSA-N 395.481 -0.158 30 20 GBED CCO[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 570940978 BEQSQEFMLBZZHG-ZIAGYGMSSA-N 389.455 -0.429 30 20 GBED 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386.416 -0.357 30 20 GBED C=CCNC(=O)NC(=O)CN1CC[C@@H]1CN(C)C(=O)CCCc1cnn[nH]1 1575109386 YKLHPNSQQYOWQS-CQSZACIVSA-N 377.449 -0.328 30 20 GBED CN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@H]1CCN(CC(F)(F)F)C1=O 1585780786 OVBVIWLBRSZJLO-JTQLQIEISA-N 387.318 -0.168 30 20 GBED C#CCN(C(=O)CC(N)=O)C1CCN(c2cc(C)ncc2-c2nn[nH]n2)CC1 1588347961 CKQRUYLQDJWUGG-UHFFFAOYSA-N 382.428 -0.124 30 20 GBED C=CCn1cc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)nn1 1588713482 MVLPZGMLNWMCPK-NSHDSACASA-N 381.404 -0.167 30 20 GBED C=CCCSCCNC(=O)C(=O)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 1588814575 FKAQMJJWSGUXSG-KRWDZBQOSA-N 385.486 -0.200 30 20 GBED CNC(=O)CN1CCCN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)CC1 1591209149 YCOPHYVELNTTHO-MRXNPFEDSA-N 396.455 -0.171 30 20 GBED CC[S@@](=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1617443302 LHYUPUWBGFWWFH-WHDAMIPWSA-N 380.474 -0.102 30 20 GBED N#CCC1(CS(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 1661175684 SUUODONKYILAAP-STQMWFEESA-N 377.488 -0.903 30 20 GBED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C 1769845597 OVXPAWXCNHUNBN-ZDUSSCGKSA-N 398.489 -0.365 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1778963983 CTVVUYHUBRCYRB-KUHUBIRLSA-N 396.488 -0.339 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1779074921 FEVNJMSMSNLPFH-LPHOPBHVSA-N 394.424 -0.276 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(C)=O)C2)C1 1783180326 UTNVJPQWAGOASN-HMECNJMJSA-N 392.456 -0.799 30 20 GBED CC(C)n1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n1 1783561604 BPRBCOLQFPKTQJ-QGZVFWFLSA-N 375.385 -0.610 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1783563860 DCKMJMFGLSTZKD-GOSISDBHSA-N 383.364 -0.511 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N(C)C(C)=O)C[C@@H]21 1784482010 APWBEPSLNAYCBH-SSGTUYFUSA-N 393.484 -0.129 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4ncccc4n3)C[C@@H]21 1791076897 OZHNDGOHWCMJNN-YDHLFZDLSA-N 397.391 -0.589 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)C=C 1797940204 SRRDFCGFBSHYAO-WVCIDPQESA-N 379.457 -0.142 30 20 GBED C[C@H](S)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814810273 NOKYBYLPPQFNSW-CIUDSAMLSA-N 385.515 -0.034 30 20 GBED CC[C@H](NC(N)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825665359 HRMLBJLRSMWUBW-BDAKNGLRSA-N 393.425 -0.410 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)C1 1829673259 IFPGTLDVTWVUEP-DNVCBOLYSA-N 377.441 -0.455 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831433102 GGVRKKIGSVRUNK-RDTXWAMCSA-N 380.397 -0.878 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837164943 QDNQYEVKOXTXIG-GOSISDBHSA-N 384.396 -0.287 30 20 GBED CC(=O)C[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043992 GXQNZOHEOUJIPM-SCLBCKFNSA-N 380.397 -0.854 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1)CCO2 1840581296 SPOMYIJVEBKJJJ-CXAGYDPISA-N 382.438 -0.574 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCSCC1)CCO2 1840926065 CIPKPKOWTBVOQB-SFHVURJKSA-N 396.465 -0.326 30 20 GBED Cn1c(=O)n(C)c2cc(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)ccc21 1843735056 SOMOHSJKEHLFTD-UHFFFAOYSA-N 396.403 -0.218 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](COC)NC(C)=O)C2 1844237192 FMSHLIGQVBKNQI-CABCVRRESA-N 381.473 -0.086 30 20 GBED C=CCC(F)(F)C(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846034655 QBLGLCDIGSQOQG-UHFFFAOYSA-N 375.416 -0.312 30 20 GBED Cn1c(=O)n(C)c2cc(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)ccc21 1846195703 UJSGENILNJGEHW-UHFFFAOYSA-N 396.403 -0.218 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)NC(=O)CC 1847258891 JDJLJGLJKSPVLG-CRDCJKIUSA-N 376.457 -0.039 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=S)NCC 1847262542 SXHLPNJBNXICTF-LAWSMPECSA-N 393.513 -0.469 30 20 GBED O=S1(=O)CC[C@H](CN/C(=N\C2CCCC2)NC[C@@H]2CN3CCN2CC3)C1 262457511 WYEWJBUYFZJGHG-NVXWUHKLSA-N 383.562 -0.101 30 20 GBED Cc1oc(NC(=O)CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(C#N)c1C 265477195 RIFQXYFFAKRTOB-CABCVRRESA-N 396.469 -0.206 30 20 GBED CN(C1CC(O)C1)S(=O)(=O)CCCS(=O)(=O)Nc1cc(C#N)ccn1 349495042 LMZGAHXOKXORLC-UHFFFAOYSA-N 388.471 -0.130 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)C(=O)[C@H]1C 349501948 IYFCKTIUSVXOHB-GFCCVEGCSA-N 380.492 -0.956 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@H](CO)C2)nc1 349523821 MOAKTUFOEVVJQS-ZDUSSCGKSA-N 388.471 -0.271 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 349611174 SHEUQVPKFAMBSN-MELADBBJSA-N 378.520 -0.436 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCO[C@H](CN)C3)n2)c(Cl)c1 415601035 PEOOEMAZXIZVBI-GFCCVEGCSA-N 388.815 0.522 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cnc(OC)c(C(N)=O)c2)C1=O 440271727 AHMCSZUGFTVFCK-GFCCVEGCSA-N 375.385 -0.627 30 20 GBED Cc1cc(NC(=O)C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)nn1CCC#N 441429319 MWBSBOXPMDUFRX-OAHLLOKOSA-N 390.444 0.043 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)NCCN2CCc3ccccc3C2=O)n1 467347058 QZHXJLGHQXFLQT-UHFFFAOYSA-N 380.408 0.550 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CC(=O)N(C)C1 517396055 ZLSTULHYXNYRDX-WDEREUQCSA-N 386.455 -0.614 30 20 GBED C[C@](O)(CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CN1CCOCC1 558543980 XBYFQDSRXSERMK-KRWDZBQOSA-N 396.469 -0.964 30 20 GBED COCCN(CC(=O)N(C)C)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 579171329 IXQKSXICFZCVMM-UHFFFAOYSA-N 382.442 -0.600 30 20 GBED CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)ccc1F 592299473 JSTPZIDXAANSKW-HNNXBMFYSA-N 384.389 -0.451 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1COC[C@H]1O 594633695 ZCBFHOZZZIMYBJ-VXGBXAGGSA-N 389.455 -0.741 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 596838950 GXPBVPMVGOTRCU-OLZOCXBDSA-N 390.425 0.381 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 658917311 UCELIPWSTWIEAY-CYBMUJFWSA-N 397.453 -0.382 30 20 GBED C#CCNC(=O)CN1CCN(CCOc2ccc(S(C)(=O)=O)cc2)CC1 743846151 FPXKEEURATUHMD-UHFFFAOYSA-N 379.482 -0.164 30 20 GBED Cn1c(=O)ccn(CC(=O)[C@H](C#N)C(=O)NCc2ccc(F)c(F)c2)c1=O 786572284 XAVGHNJMKMJUSL-NSHDSACASA-N 376.319 -0.150 30 20 GBED C[C@H]1CCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](n2cncn2)C1 794524091 VKLZGWUOYVBQSF-CMPLNLGQSA-N 395.445 -0.629 30 20 GBED C#C[C@H](NC(=O)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CCCO1 809312006 KEOQPHQMBBHPJM-SDDRHHMPSA-N 375.347 -0.095 30 20 GBED NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@@H]2CCCN(O)C2=O)c1 820470967 JWIITZLZQDTCEM-CYBMUJFWSA-N 398.441 -0.719 30 20 GBED C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1-c1nn[nH]n1 823845792 XJCARMIJNGZZAP-NSHDSACASA-N 381.439 -0.322 30 20 GBED COC(=O)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)O 831128813 NSBQBQGVEPENDX-BXKDBHETSA-N 383.382 -0.642 30 20 GBED CN(CCS(C)(=O)=O)C(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 839244619 IHCLJRWNMSDBCX-UHFFFAOYSA-N 396.444 -0.151 30 20 GBED N#Cc1ccc(S(=O)(=O)NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 916774394 MILAQTQSKORAJR-UHFFFAOYSA-N 392.418 -0.139 30 20 GBED 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C=CCCn1cc(C(=O)N2CC[C@H](N(C)CC(=O)NCc3cnn[nH]3)C2)nn1 1575100528 RSLLVACRYJIOHY-AWEZNQCLSA-N 387.448 -0.565 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1nn(-c2ccc(-c3nn[nH]n3)cn2)cc1C 1588363473 IAYYZBIQNRHAOH-UHFFFAOYSA-N 395.383 -0.540 30 20 GBED C#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cn1 1588366792 BAGXKVSGEUXDBK-LBPRGKRZSA-N 380.368 -0.908 30 20 GBED C=CCNc1ncc(C(=O)NCCn2cc(-c3nn[nH]n3)c(O)nc2=O)s1 1588665892 SURPRNWAVWZTDT-UHFFFAOYSA-N 389.401 -0.387 30 20 GBED N#Cc1nccc(N2C[C@H]3C(CNC(=O)c4ccc(-c5nn[nH]n5)[nH]4)[C@@H]3C2)n1 1592708806 QOSURQBRBUPSLP-QWRGUYRKSA-N 376.384 -0.031 30 20 GBED O=C(CNCCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCC#Cc1ccccc1 1592873234 MRQLOOYXUZKZLD-UHFFFAOYSA-N 392.423 -0.318 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2snc(C)c2-c2nn[nH]n2)C1 1602724064 AEXDJJFYSZYGNY-ZBEGNZNMSA-N 391.457 -0.273 30 20 GBED C=CCC1(O)CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 1602822533 ARKCFLXRQBKVNO-LLVKDONJSA-N 392.441 -0.317 30 20 GBED C[C@H](Nc1nccnc1-c1nn[nH]n1)[C@H]1CN(C(=O)CSCC#N)CCO1 1603687671 NRMBKGLADIGVSG-WDEREUQCSA-N 389.445 -0.059 30 20 GBED N#Cc1cn(CC(=O)NCCN2CCN(Cc3ccccc3)CC2)c(=O)nc1O 1628832911 NSBNCXJHDHNBJM-UHFFFAOYSA-N 396.451 -0.245 30 20 GBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1781696082 INDWRZTTXBWYQV-AUUYWEPGSA-N 388.424 -0.596 30 20 GBED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1785014643 WRYNEGAAJFLONW-IHRRRGAJSA-N 380.474 -0.428 30 20 GBED O=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccccc2)C3)=NN1 1797681009 IOKOCSSBPSBQEP-CCWDJLKJSA-N 380.404 -0.496 30 20 GBED N#CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816670388 SKXXEGAJLFZKPW-ZETCQYMHSA-N 399.396 -0.591 30 20 GBED CS(=O)(=O)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822203790 PVNPFMQTXHSQBU-LBPRGKRZSA-N 396.425 -0.076 30 20 GBED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1829865072 IQNLUCXFIIFFKU-JDFRZJQESA-N 387.502 -0.324 30 20 GBED CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)(C)C#N)CCO2)C1 1830049861 GECKKOCJLSNILM-LJQANCHMSA-N 394.472 -0.093 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1832426524 VQAJMEVCVGGSQI-IBGZPJMESA-N 377.441 -0.521 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833877763 OTGGZXJGUNBMAH-CXAGYDPISA-N 397.501 -0.161 30 20 GBED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)nc1 1834378330 HWGYMCXOFKEAQO-IBGZPJMESA-N 387.392 -0.452 30 20 GBED CC[S@@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1837237939 BDZMWGLSCFZHGI-WGDIFIGCSA-N 385.486 -0.095 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1837391170 JELHMWYRLQYUME-JNKIDDAASA-N 396.484 -0.213 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1840159565 HJOZHJDIAIZWGC-IAQYHMDHSA-N 390.531 -0.222 30 20 GBED CC/N=C(/NC[C@@H]1CN2CCN1CC2)N1CCN(C(=O)[C@H]2CCCO2)CC1 262818559 XIGKZUMPMXSZDP-IAGOWNOFSA-N 378.521 -0.725 30 20 GBED COC[C@](C)(NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 268853415 GLJFKKZWYJSISE-ZBEGNZNMSA-N 383.426 -0.081 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2C(=O)NCc2ccco2)C1=O 299686821 KQFUIKRCNYZAKU-ZDUSSCGKSA-N 388.380 -0.136 30 20 GBED CC/N=C(/O)CN1CCN(C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 329645742 ZPISKAZYOXTNJN-KFZJALRRSA-N 392.456 -0.341 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 349480489 XVYMHRPEYRBIAL-VQJWOFKYSA-N 391.515 -0.011 30 20 GBED CCN1CCN(CC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C(=O)C1=O 371690649 YQDSNMNSOBZUEC-UHFFFAOYSA-N 384.371 0.512 30 20 GBED COc1ccccc1N1CC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1=O 409516323 WWIFYRZRYFMEGW-STQMWFEESA-N 380.426 -0.141 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@]4(CCCN4)C3)CC2)c1C#N 423447392 OWKNPSBOHVFFPA-LJQANCHMSA-N 385.472 -0.397 30 20 GBED C=CCOC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C)C(=O)OC 435141408 OJDVNXXSAMZRKT-JQWIXIFHSA-N 389.430 -0.181 30 20 GBED C=C[C@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 460124643 LPMZVXHXJGBMSJ-CQSZACIVSA-N 383.474 -0.621 30 20 GBED CCn1nnnc1-c1cccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 508337121 BCTQDCQEZRPCIR-UHFFFAOYSA-N 380.372 -0.422 30 20 GBED C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N1CCOCC1 521721196 PNSJVUPGBCQIQK-ZDUSSCGKSA-N 379.438 -0.163 30 20 GBED N#Cc1ccc(N2CCN(C(=O)CCn3cc(S(N)(=O)=O)cn3)CC2)nc1 523851935 DRLADMSQKXOUEL-UHFFFAOYSA-N 389.441 -0.464 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCC(=O)OC)C[C@H]2CCCO2)C1=O 524444035 YKVYWIJCEVLHCN-GFCCVEGCSA-N 381.385 -0.466 30 20 GBED C=CCN1CC[C@@H](N(C)CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1=O 532476177 ILYVEHLIFPWNMS-HZPDHXFCSA-N 398.529 -0.964 30 20 GBED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C)CCC#N)cn2)C[C@H](C)O1 578846492 KNEHLVFBTZNFAJ-STQMWFEESA-N 376.417 -0.171 30 20 GBED N#Cc1c(CCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)nn(-c2ccccc2)c1N 590420618 MULWGNQERSESRA-AWEZNQCLSA-N 381.396 -0.027 30 20 GBED C=CCOCCCNC(=O)C(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(CC)c1 595184160 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C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H]3NC(=O)CC[C@H]3C2)c1=O 853554789 DHOZNUPJFBAYMC-UONOGXRCSA-N 375.429 -0.898 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCNC(=O)C2)ccc1F 914659194 LTNPMMZCYZYOSZ-UHFFFAOYSA-N 399.400 -0.595 30 20 GBED CCN(CCC#N)C(=O)COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 918813340 AQOJCFRVWBPMPA-GFCCVEGCSA-N 398.441 -0.543 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@@H]1O 964615151 JDACVIOELWQJRT-KBXIAJHMSA-N 386.412 -0.593 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc3c(c2)nnn3C)C1 968608850 OXJAAQMECXYZGF-IRWJRLHMSA-N 385.424 -0.139 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccnn2C)C1 990831786 NFJZFBYFGXVXPR-VDERGJSUSA-N 385.428 -0.215 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1O 1023942755 OFHHCCRXZGECPY-BORJPKMPSA-N 375.425 -0.483 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@H]1O 1023958601 QVIMEGZCYIHHGY-NGFQHRJXSA-N 386.412 -0.593 30 20 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Cn1ncnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1794569945 RZTBMRJEIKPXBN-NURKDDNYSA-N 386.412 -0.270 30 20 GBED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccnn2)cc1 1795887817 KDCHGZQCVSGHJZ-XEMDLRDOSA-N 394.435 -0.018 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)no1 1798201017 ZALFFPHLHPFXRR-JJLQDPRZSA-N 391.428 -0.135 30 20 GBED CN(C)C(=O)NCC(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1805040331 XXTDAABZHUPBIC-UHFFFAOYSA-N 378.429 -0.423 30 20 GBED CC(C)(NCCC#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](N)CN)[nH]n1 1817314898 ALNJCBAXXRXHLN-JSGCOSHPSA-N 390.492 -0.030 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1831421344 IIHXAVHEZLGEAX-RDTXWAMCSA-N 393.444 -0.524 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832194027 WNPVCDWHSMPAQU-AWEZNQCLSA-N 396.293 -0.569 30 20 GBED Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)o1 1835341837 BKJFPWGVILWHJS-SFHVURJKSA-N 389.412 -0.319 30 20 GBED C[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531151 XQUQAWCLMVVOLH-JIPSRSKRSA-N 399.444 -0.647 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCO2 1837735581 SIEKOXLYOQCQPQ-QFBILLFUSA-N 395.456 -0.993 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(F)n1)CCO2 1837910382 ORQALFJGJXABGG-GOSISDBHSA-N 391.355 -0.621 30 20 GBED CC1(C)CC(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)C1 1840226002 BKXCNIDLHWNMJG-IBGZPJMESA-N 378.425 -0.033 30 20 GBED CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815706 GAOSPOMRCFBXOC-KUHUBIRLSA-N 392.456 -0.339 30 20 GBED Cn1cc(C#N)c(=O)n(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)c1=O 270609666 XWYWXLJRKSXQLO-UHFFFAOYSA-N 381.392 -0.373 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCc2cc(C(N)=O)no2)CCN1Cc1ccccc1 287160112 MIRSPVZUUDUVRG-CQSZACIVSA-N 396.407 -0.374 30 20 GBED C[C@H]1CN(C(=O)Cn2cc(N=C(O)N3CCO[C@H](CO)C3)cn2)C[C@@H](C)O1 330284959 YEKDGRHPKUSQSM-GUTXKFCHSA-N 381.433 -0.243 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCn2nc(C)nc2C1 349498159 AVQJSECIBHEZOP-LBPRGKRZSA-N 390.491 -0.656 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@H](O)[C@H](O)C3)n2)c(Cl)c1 434565287 JJAGICMRCHIUDR-BETUJISGSA-N 375.772 -0.100 30 20 GBED COc1ccc(S(=O)(=O)N2CC(NS(=O)(=O)N(C)CCC#N)C2)cc1 536254988 XMAZZXFQNDKCMC-UHFFFAOYSA-N 388.471 -0.252 30 20 GBED N#Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)nc1 550384225 ICTUSKLXLPSEEJ-UHFFFAOYSA-N 383.455 -0.613 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@]1(O)CCSC1 566488842 OOWBASDEVWYEPX-ZDUSSCGKSA-N 391.496 -0.365 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NCCCn2ccnn2)cc1 581261244 PFFGSOGDUNMQRH-UHFFFAOYSA-N 384.443 -0.551 30 20 GBED N#Cc1cc(Br)ccc1N1CC(C(=O)NC(C(N)=O)C(N)=O)C1 592748984 XPXPDVSDAUZDAH-UHFFFAOYSA-N 380.202 -0.788 30 20 GBED CCN1CC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1=O 594626715 BQWKZTUGTLGSFG-CYBMUJFWSA-N 386.455 -0.612 30 20 GBED C[C@@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(CC#N)CC#N)c2)C[C@@H]1O 594631989 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Cn1cc(S(=O)(=O)NN=Cc2ccc(C(F)(F)F)[nH]2)c(=O)n(C)c1=O 807978988 KLOIPGLBQUJXBS-UHFFFAOYSA-N 379.320 -0.257 30 20 GBED C[C@]1(C2CC2)NC(=O)N(CC(=O)NS(=O)(=O)c2cncc(C#N)c2)C1=O 813982290 HJNHFGYSDRAYGK-OAHLLOKOSA-N 377.382 -0.521 30 20 GBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)N1CCN(Cc2ccco2)CC1 826382371 BCOIRLMNIZSQDM-UHFFFAOYSA-N 382.388 -0.546 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CCOc2ccc(C=O)cc2)CC1 831560558 BHHWVNQNUBJGKX-UHFFFAOYSA-N 379.438 -0.120 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2c[nH]c(C(=O)O)c2)c1=O 833368956 XSZNIYICHZQHLM-UHFFFAOYSA-N 398.444 -0.155 30 20 GBED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccnn2C)c1=O 914564808 DUUWMTKAJAGSKK-UHFFFAOYSA-N 389.481 -0.435 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 940452975 ILLFYVWXXIYXGY-OEUWWYETSA-N 392.456 -0.127 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cccnc2C(N)=O)C1 965186649 FMSOWCLNKHMUIC-FQLMCAECSA-N 388.424 -0.537 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1c1cn(C)cn1 993546288 OWBSQZNLCLATTP-KOZAUXTDSA-N 385.428 -0.146 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CC(=O)NC2=O)c1 1005972736 XJKNYVRZLAAHJX-KFWWJZLASA-N 381.392 -0.524 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 1024368369 DMBOEYHUVUCJCR-DCDXPUDHSA-N 376.413 -0.937 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN(C)S(C)(=O)=O)n1 1093054000 CJXZIOBIQQFTHR-MCIONIFRSA-N 378.458 -0.226 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 1109596190 IOTAAXYWRUSAJS-QPSCCSFWSA-N 376.461 -0.506 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)C(=O)NC(=O)NC)nn1 1109814335 YQLITTHKZJZIND-OPDFLTKYSA-N 375.433 -0.357 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 1117178643 KTFIGYCZAUUQLV-HNNXBMFYSA-N 389.456 -0.446 30 20 GBED C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 1118307698 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C#CCO[C@@H](C)C(=O)NC[C@@]1(C)CCCN(CC(=O)NCc2cnn[nH]2)C1 1575012435 ATIRSECNNMNNCE-KBXCAEBGSA-N 376.461 -0.323 30 20 GBED C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O 1588495640 HIXQPZLKOQWJMG-IGCXYCKISA-N 388.432 -0.449 30 20 GBED C[C@H](NCC(=O)NCC#N)[C@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1589959071 SLJQKKGPXITMRS-SMDDNHRTSA-N 385.432 -0.193 30 20 GBED C#CCN(C)C(=O)C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 1602717036 YAPJKNFCBHDAMS-UHFFFAOYSA-N 381.440 -0.007 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(C(=O)O)C[C@@H]2c2ccccc2)CC1 1602726389 OYVYNJIFEHPCOT-CRAIPNDOSA-N 391.449 -0.143 30 20 GBED CO[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@@](C)(C(=O)O)C1 1606762311 BIHYPAFYBVIHAG-BLLLJJGKSA-N 381.410 -0.073 30 20 GBED COc1cc(C#N)ccc1C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1626573746 KMGOVDFRBCFQPD-GJZGRUSLSA-N 379.438 -0.206 30 20 GBED CC[C@@H](CNS(C)(=O)=O)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1627870729 NHJFKXAGVGISAN-AWEZNQCLSA-N 387.483 -0.083 30 20 GBED N#Cc1cn(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)nn1 1643968158 XCAPXOKVUNJSCQ-UHFFFAOYSA-N 396.379 -0.039 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCC1(O)CCC1 1723957630 OWJFUEKRQOPPJB-CHWSQXEVSA-N 398.489 -0.078 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CCc2c(C)ncnc2O)C1 1757189871 AQHWZYKYPOORAS-WCVJEAGWSA-N 390.440 -0.298 30 20 GBED CC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779137725 DISXDHDKHGANJK-KDCXGNEQSA-N 376.413 -0.336 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785366435 GNDVYQVKFNSBPU-FZKQIMNGSA-N 394.428 -0.425 30 20 GBED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21 1789958399 RCHODGKFMZZYMO-UGUYLWEFSA-N 385.461 -0.224 30 20 GBED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C)CC3)C[C@@H]21 1791261248 HOMLXGHUGLMBTG-UGUYLWEFSA-N 384.546 -0.468 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 1792577116 ACVSWBFLZNEBQT-JGFGOLAASA-N 379.457 -0.307 30 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C=CCNc1nnc(S(=O)(=O)[C@H](C)C(=O)N2CCN(C(C)=O)CC2)s1 479015097 OUYYBQHRAULSKS-SNVBAGLBSA-N 387.487 -0.011 30 20 GBED CCOC(=O)[C@]1(COC)CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 499705450 JYELKDAROMITAC-UKRRQHHQSA-N 375.447 -0.253 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(C#N)cc1C 546171373 ASFGGRHNYTWAMO-AWEZNQCLSA-N 395.437 -0.065 30 20 GBED CN(C)S(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)c1cncc(C#N)c1 564409891 NZLGRMMLPCLWRU-ZDUSSCGKSA-N 387.487 -0.108 30 20 GBED COCCc1ccc(OC[C@H](O)CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1 594797451 WMHQMFFJQJVLJL-NVXWUHKLSA-N 399.469 -0.326 30 20 GBED COC(=O)CCNC(=O)CCNC(=O)C(=O)Nc1cc(OC)c(C#N)cc1F 600071529 YDQMBKFPFCMVBZ-UHFFFAOYSA-N 394.359 -0.170 30 20 GBED CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)NC2(C#N)CCC2)c1=O 600608648 WAWJQXLPZWMNHK-UHFFFAOYSA-N 387.396 -0.214 30 20 GBED N#CCCN(CCC#N)C(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745480253 DFBVXQLKKTVQSZ-BHTHQVBYSA-N 388.380 -0.652 30 20 GBED CNS(=O)(=O)[C@@H]1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 749788995 BWMNXQVAUNODLO-PBHICJAKSA-N 391.453 -0.094 30 20 GBED Cn1c(N)c(C(=O)COC(=O)c2c(F)cc(C#N)cc2F)c(=O)n(C)c1=O 756596495 MQOSRQMSDUIRBR-UHFFFAOYSA-N 378.291 -0.144 30 20 GBED CN(CC(=O)N1CCOCC1)C(=O)C(=O)Nc1ccc(F)cc1OCC#N 783330204 MAXOREGTPXGOID-UHFFFAOYSA-N 378.360 -0.016 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3NC(=O)O[C@H]3C)CC2)o1 786063094 JVKBNUMSBJIRFM-ZANVPECISA-N 377.357 -0.457 30 20 GBED N#CC1(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCC1 786360908 OICWHOSYAHNWOZ-FIXIBIHLSA-N 375.381 -0.355 30 20 GBED C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1CC(=O)N[C@@](C)(C#N)C1CC1 820788925 RKFJLEFDDAFAML-SGTLLEGYSA-N 396.459 -0.024 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CN2CCC[C@@H](C(=O)OCC)C2)CC1 900560339 IGOIXKZBSHIILP-MRXNPFEDSA-N 378.473 -0.845 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)cc2)C[C@@H]1O 970711591 IGGFNZVJZZFUIC-NCOADZHNSA-N 387.436 -0.393 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2NC(=O)NC2=O)nc1 1004745210 RJHCQFHCLFTRFR-RZFFKMDDSA-N 381.392 -0.477 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccc(O)nc2)C[C@H]1O 1023941767 AMQFTYGNNGDCPG-BORJPKMPSA-N 375.425 -0.001 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1043256495 CDSNTIOPIUOXAU-KBXIAJHMSA-N 379.457 -0.619 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(c3ccc4nnnn4n3)C[C@@H]21 1043810703 BVZQDQDJMAPKLT-CBBWQLFWSA-N 385.428 -0.084 30 20 GBED CS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)o1 1109774988 UMGBEEHEJQYYJM-WOPDTQHZSA-N 380.426 -0.342 30 20 GBED CN1CCN(c2ncccc2CNC(=O)C(=O)Nc2cnn(CC#N)c2)CC1 1116336336 KVRLSWDKQMRTIO-UHFFFAOYSA-N 382.428 -0.192 30 20 GBED C=CCNC(=O)CNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 1116495537 XOVASCIOJIMTOV-UHFFFAOYSA-N 384.462 -0.825 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC)C1 1117341034 RNUZRBQOQOCEMX-CQSZACIVSA-N 379.438 -0.535 30 20 GBED 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-0.502 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1840843030 PIUDGXSOLVAFSH-VQIMIIECSA-N 395.456 -0.993 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCCOC3)CCO2)C1 1840871986 FCCSSKAPFJAALR-MBOZVWFJSA-N 394.468 -0.092 30 20 GBED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(N)=O)CCO2 1840918030 CCSXLDPSQLTWLW-GOSISDBHSA-N 398.460 -0.906 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1 1841961713 XTIZPXIIUICRJM-RYUDHWBXSA-N 379.417 -0.411 30 20 GBED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C#N)c1 21224650 BRGUJXPWPBJWHT-CYBMUJFWSA-N 385.467 -0.128 30 20 GBED CCN(CCC#N)C(=O)CN(CCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 52469893 WWOMHZISJDUBAI-UHFFFAOYSA-N 394.476 -0.010 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 171923968 OIQXZWVSTBWVDJ-CYBMUJFWSA-N 387.444 -0.874 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(NC(=O)C3CC3)CC2)c1=O 192803971 FKSSDPZZEGHYLT-UHFFFAOYSA-N 389.456 -0.508 30 20 GBED O=C(C#Cc1ccc2c(c1)OCO2)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 268525439 HDNCPQYVNVPVBU-GJZGRUSLSA-N 392.433 -0.619 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2CC(=O)c2cnn(C)c2)C1=O 269390870 AGIAUDCAAHIYFM-ZDUSSCGKSA-N 387.396 -0.039 30 20 GBED N#Cc1cc(F)c(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)c(F)c1 275157493 SPNJUKUJWCQRPJ-JTQLQIEISA-N 380.350 -0.291 30 20 GBED C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 284041202 PEDYRMYUUQBIGK-OAHLLOKOSA-N 386.456 -0.561 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1=O 298013585 ZMICFIPMAHNFOW-INIZCTEOSA-N 396.451 -0.153 30 20 GBED N#Cc1ccc(NC(=O)CCN2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 298068740 CTOHVBMKRIUJBE-UHFFFAOYSA-N 399.451 -0.110 30 20 GBED C[C@@H](CN1CCN(C)CC1)N/C(O)=N/CC1CCN(S(C)(=O)=O)CC1 328679009 MULBVBMRNQFZJR-AWEZNQCLSA-N 375.539 -0.203 30 20 GBED C=CCN(C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)[C@H]1CCS(=O)(=O)C1 328803280 JXTDNDNVHKABEV-HJORKGSMSA-N 396.465 -0.259 30 20 GBED CCN1CCN(CC(=O)N2CCN([C@H](C)/C(O)=N/C3CC3)CC2)C(=O)C1=O 328837710 NKCOJIDEYINPEX-CYBMUJFWSA-N 379.461 -0.671 30 20 GBED C/C(O)=N/Cc1ccc(S(=O)(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)s1 330260967 TWNAVEIALYSAOA-SNVBAGLBSA-N 386.455 -0.444 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCn2ccnc2C1 349558389 RPZALCAELQDVDQ-RYUDHWBXSA-N 375.476 -0.661 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCCNC1=O 349611826 HVBSBFOJXFRARN-VXGBXAGGSA-N 380.492 -0.862 30 20 GBED C#CCN1CCC(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 372935403 UYYZNNAQTCJLMV-QGZVFWFLSA-N 383.514 -0.015 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O 409510244 LYDLCIGTRANZCZ-STQMWFEESA-N 382.508 -0.599 30 20 GBED C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 420064576 OTPJSMZNRSXVIN-HIFRSBDPSA-N 386.456 -0.169 30 20 GBED COCCNC(=O)C1(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 458359538 KANPKIDPVHUJAZ-GFCCVEGCSA-N 394.453 -0.364 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCCN(C)C1=O 460688017 HOUPTDMAGQVHNQ-ZDUSSCGKSA-N 381.396 0.123 30 20 GBED N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)[nH]1 480651861 VJOIIEUSJYDWBS-UHFFFAOYSA-N 377.382 -0.275 30 20 GBED COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC)C1=O 500354322 CNYCICVUBYHUDP-LBPRGKRZSA-N 388.380 -0.214 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC(O)(CC#N)C2)cc1 516357087 QVNUTCDRXMZGNJ-UHFFFAOYSA-N 381.410 -0.371 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)OC)c1 540790931 FESNUGWWBXQBLK-UHFFFAOYSA-N 377.353 -0.383 30 20 GBED CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)c1 568255298 YEVFBBJXDNTFRP-CYBMUJFWSA-N 386.455 -0.531 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1C 569476459 MOGLTVNVOKFSRB-UHFFFAOYSA-N 387.465 -0.515 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@]2(O)CCOC2)cc1 577865854 QFFZKBMFGUQZMC-FZMZJTMJSA-N 389.455 -0.693 30 20 GBED C[C@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@H](CO)O1 587654808 SSYWHBOTGMQWFK-XJKSGUPXSA-N 387.440 -0.354 30 20 GBED C[C@]1(C(N)=O)CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 587659309 KWMOHDDYAMREIS-IBGZPJMESA-N 384.440 -0.238 30 20 GBED CC(C)(CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)NS(C)(=O)=O 589408138 QQOSCOLIOUYQRQ-UHFFFAOYSA-N 388.471 -0.719 30 20 GBED C[C@@H]1[C@H](O)CCN1S(=O)(=O)c1cccc(S(=O)(=O)N(CC#N)CC#N)c1 594629280 WUWFXHGSNZHXQQ-IUODEOHRSA-N 398.466 -0.132 30 20 GBED CC(=O)N1CCN(CCNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 603894220 SBHMOPKTNVYRPX-UHFFFAOYSA-N 392.481 -0.247 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CCO1 609282763 NMWJDNJMUKIDSR-CYBMUJFWSA-N 378.410 -0.183 30 20 GBED CC#CC[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 649187886 ZGJMTVHBIRMRMD-OLZOCXBDSA-N 379.438 -0.423 30 20 GBED C#CCNC(=O)C1CCN(S(=O)(=O)N2CCC[C@H](C(=O)OCC)C2)CC1 747849823 DJTZCEGHHSPLIZ-HNNXBMFYSA-N 385.486 -0.032 30 20 GBED N#Cc1cccc(OCC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 750657631 UYFGGDNNDQNZOD-CVEARBPZSA-N 379.438 -0.449 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC2=Nc3ccccc3S(=O)(=O)N2)CC1 761036175 DWYCRUUOYKBDMB-UHFFFAOYSA-N 397.482 -0.906 30 20 GBED COC(=O)Cn1cc(C(C)=NNC(=S)NCCCN2CCOCC2)nn1 772837607 VXMSXYJZLOXVMG-UHFFFAOYSA-N 383.478 -0.639 30 20 GBED Cn1cc(C(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 787062133 GUABCNWEIJFJHW-LBPRGKRZSA-N 385.336 -0.369 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)[C@@H]1CCCO1 809313792 VFBCHOFJGCHOSX-BPUTZDHNSA-N 376.457 -0.905 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)CC1 813439096 IDJBHXXJRLVJRB-CQSZACIVSA-N 382.420 -0.435 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F 823919739 OYTOAGTZIKIQOE-UHFFFAOYSA-N 395.326 -0.175 30 20 GBED C#CCO[C@@H](C)C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 827894129 KWZYKLVJAOZPQA-LBPRGKRZSA-N 380.422 -0.015 30 20 GBED CN1C(=O)CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 848050620 MKMXKIUAYCQFMA-UHFFFAOYSA-N 378.410 -0.668 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC[S@](C)=O)cc1 848941757 HGXYTLVBEQRMEL-NRFANRHFSA-N 379.485 -0.513 30 20 GBED CNC(=O)c1ccc(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 858129936 YWIKJKUFEBCTPM-UHFFFAOYSA-N 382.380 -0.053 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@@H]1O 964193971 SOQDTMIZOOHUSL-GUSZCTEKSA-N 390.440 -0.547 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@@H]1O 964476483 JEPPKDXMENHEQM-CRWXNKLISA-N 386.412 -0.593 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccn(CCOC)n2)C1 969263972 ASQAURDETKTMRE-OJLVUWQFSA-N 378.429 -0.578 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cc(OC)no2)C[C@@H]1O 970706120 BFSWFKPEJGTODD-KBXIAJHMSA-N 379.413 -0.105 30 20 GBED C=CCOc1cccnc1C(=O)N[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@@H]1O 970792425 USXALWDXBKWCAZ-LOUJCGABSA-N 391.424 -0.248 30 20 GBED C=CCCn1cc(C(=O)NC2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)nn1 991996964 WDWRLZZSABZXHK-DUVNUKRYSA-N 375.429 -0.154 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1046704997 UMGYYNWZJMJODP-JONQDZQNSA-N 393.484 -0.229 30 20 GBED N#CCNC(=O)CN(CCO)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1098431937 DJABRWAIRRUKJY-OCABDXPQSA-N 376.457 -0.665 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 1116908648 SOWVVZFSYMWOMO-AWEZNQCLSA-N 375.381 -0.582 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC1 1116944411 KJVSAFUJLGVVRH-UHFFFAOYSA-N 392.437 -0.588 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O 1118639175 NCLUCEUQAGUMMQ-ACJLOTCBSA-N 378.429 -0.679 30 20 GBED C=CCn1c([C@H]2CC(=O)N(C)C2)nnc1N1CCN(S(=O)(=O)CC)CC1 1262858588 IOMGUMLFPFBFHC-ZDUSSCGKSA-N 382.490 -0.119 30 20 GBED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 1321551338 KEWCDVNMEKKLQY-AWEZNQCLSA-N 399.451 -0.068 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(CC(=O)N(C)C)cc1 1323687363 AIPDCOWNHSSKDD-UHFFFAOYSA-N 381.454 -0.027 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC(NC(=O)COC)CC2)CC1 1326491136 JWSPXBSETBUIQE-UHFFFAOYSA-N 380.489 -0.103 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCN(Cc3cnn(C)c3)CC2)CC1 1334968010 ACMOIBREKQFUCH-UHFFFAOYSA-N 375.473 -0.006 30 20 GBED C#CCN1CCC[C@H]1c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC(C)C 1344454871 CSWHLOLXIZLHFH-HOTGVXAUSA-N 399.499 -0.149 30 20 GBED CS(=O)(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)Cc2ccccc21 1344963849 JEDOSFUAOKYCDA-AWEZNQCLSA-N 392.437 -0.454 30 20 GBED C#CCOCCC(=O)NC1(CO)CCN(c2nccnc2-c2nn[nH]n2)CC1 1588358806 BQOHKGWFJJVXCE-UHFFFAOYSA-N 386.416 -0.856 30 20 GBED C=C[C@@H](COC)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588525124 CKDKQUVTNIEYBO-JQWIXIFHSA-N 380.430 -0.149 30 20 GBED C#CC[C@@H]1CCCN(C(=O)C(=O)N2CCN([C@]3(C(=O)O)CCOC3)CC2)C1 1602700253 ULPZUSGVXIWCDB-DNVCBOLYSA-N 377.441 -0.364 30 20 GBED CC(C)(C(N)=O)N1CCN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)CC1 1609073392 OKPASCUNRDEFRP-OAHLLOKOSA-N 396.455 -0.043 30 20 GBED C#CC[C@H](NC(=O)[C@@H]1C[C@H](C)C[C@H]1C(=O)N[C@H](CC#C)C(=O)OC)C(=O)O 1609076835 ZZFOMAWFCRAJPU-VYDRJRHOSA-N 376.409 -0.078 30 20 GBED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cn[nH]c2)CCO1 1750388556 PWDPFMVRGQSAHS-KBPBESRZSA-N 391.457 -0.125 30 20 GBED NC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779069143 NMYHNSMAJGVHOW-IBGZPJMESA-N 392.456 -0.817 30 20 GBED Cn1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)n1 1782010311 JXTOTHREPJFLBT-DNVCBOLYSA-N 388.424 -0.436 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1782587874 KMCNPNICQATQNC-SFHVURJKSA-N 383.364 -0.511 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)S)C[C@@H]21 1788476535 YSMGUCWIOAJVNL-JNLQPACOSA-N 389.474 -0.651 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[S@@](=O)CC 1797604675 ZIFRAMIVEHTWKR-AECHECBCSA-N 384.498 -0.227 30 20 GBED N#CC1(C(=O)N2CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2c2cccnc2)CC1 1807190640 HJABQNGMGQUWJH-HLLBOEOZSA-N 398.467 -0.016 30 20 GBED C[C@@H](S)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1826015831 SZLLFCLCZWZAOH-HLTSFMKQSA-N 385.515 -0.034 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1831424217 FJLURSZVSHKURD-CXAGYDPISA-N 379.417 -0.534 30 20 GBED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=N)N)CC2)CC1 1833474078 URANZGJQFNMUQA-AWEZNQCLSA-N 394.520 -0.368 30 20 GBED Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)o1 1835341835 BKJFPWGVILWHJS-GOSISDBHSA-N 389.412 -0.319 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)C3CC3)C2)C1 1837390865 FCBZNBCIBWXDIA-FOIQADDNSA-N 394.468 -0.005 30 20 GBED C[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837531153 XQUQAWCLMVVOLH-MCGHTFFLSA-N 399.444 -0.647 30 20 GBED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839645714 QEBMHKQBKKYPAG-WLEBTQASSA-N 389.452 -0.104 30 20 GBED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)n1cncn1 1840415136 SDBOHJVCQNIICQ-KDOFPFPSSA-N 390.444 -0.155 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843388152 AYQLAAIAUIMWGQ-PLNGDYQASA-N 388.384 -0.007 30 20 GBED C#CCNC(=O)c1ccccc1NCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 63461981 NUROMLYKXOUGGK-GFCCVEGCSA-N 392.437 -0.526 30 20 GBED N/C(=N/CCNS(=O)(=O)c1ccccc1)N1CCN(c2ncccn2)CC1 262002879 QKOOPZAGLAGXPG-UHFFFAOYSA-N 389.485 -0.108 30 20 GBED N#Cc1ccccc1OCC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 264075045 ISFFPPFQXXAUCJ-CABCVRRESA-N 379.438 -0.449 30 20 GBED N#Cc1cccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 265619108 QJGXLIUKRHAWAA-HUUCEWRRSA-N 385.467 -0.666 30 20 GBED COc1ccc(/C=c2\s/c(=C(/C#N)C(=O)N3CCOCC3)n(C)c2=O)s1 268633192 PKKJIXUZXVQKBF-VNRXXRSOSA-N 391.474 -0.121 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)CN3CCS(=O)(=O)CC3)C2=O)cc1 272606105 PTBYTXJGLRZYMN-INIZCTEOSA-N 390.465 -0.100 30 20 GBED COC(=O)C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 290267371 BNBPHYJTCNEGCX-CYBMUJFWSA-N 381.410 -0.373 30 20 GBED CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 298215484 VDXACJNFHHTECJ-OLZOCXBDSA-N 395.489 -0.104 30 20 GBED COCC(=O)N1CCN(/C(O)=N/CCS(=O)(=O)N2CCSCC2)CC1 328658272 QSXGIUNHYMZKCC-UHFFFAOYSA-N 394.519 -0.930 30 20 GBED CN(c1cnn(C)c1)S(=O)(=O)CCCS(=O)(=O)N1CC[C@](F)(C#N)C1 349505897 UDJBSXMKEZCGDN-ZDUSSCGKSA-N 393.466 -0.156 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccc2C#N)C[C@H]1O 349528461 TYFHKKQTMZGQAB-WCQYABFASA-N 388.471 -0.273 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1CCn2cncc2C1 349605284 UUBAECRVXURFSF-UHFFFAOYSA-N 375.476 -0.406 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCCO[C@H](CN)C2)CCN1Cc1ccccc1 423341475 UNYYUJLRIAAJQZ-ZWKOTPCHSA-N 385.468 -0.201 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1 453595609 KDOKNCFBGAVSNF-UHFFFAOYSA-N 385.424 -0.113 30 20 GBED C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 491457072 HTRHRQPGNTWFOJ-AWEZNQCLSA-N 397.439 -0.027 30 20 GBED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)nc1 531630118 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CNS(=O)(=O)N1CCC(C(=O)OCC(=O)NCc2ccc(C#N)cc2)CC1 803938676 YOSFEINYHMNJRR-UHFFFAOYSA-N 394.453 -0.106 30 20 GBED N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 822802003 TZUZXGGZVJJMKM-AWEZNQCLSA-N 378.400 -0.133 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCNC(=O)[C@H]1CC(=O)O 827756376 ZMRCGHUCQRAWBL-ZWNOBZJWSA-N 394.409 -0.973 30 20 GBED Cn1c(=O)c2c(ncn2CC(=O)O[C@@H](C(=O)O)c2cccc(C#N)c2)n(C)c1=O 833038057 JXMMCIOTKKJHLA-CQSZACIVSA-N 397.347 -0.326 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC[S@@](C)=O)cc1 848941135 DKKLUNXDKMJOIZ-RKFFSXRUSA-N 393.512 -0.124 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@]12CCOC2=O 848958050 SHHCCKXZXWRAGW-TZMCWYRMSA-N 393.487 -0.339 30 20 GBED C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCCn2ncnc21 848961434 WXLLVDKQKOHUFK-LBPRGKRZSA-N 375.476 -0.509 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ccc(O)nn1)C(C)C 848963586 WCGQYAROUUGNSW-LLVKDONJSA-N 376.460 -0.109 30 20 GBED C/N=C(/NCCN1CCOCC1)NCc1ccc(S(=O)(=O)CCO)cc1 849092737 CMGSAOCMRGFMGJ-UHFFFAOYSA-N 384.502 -0.550 30 20 GBED CCN1C(=O)CO[C@H](C(=O)OCCn2ncc(C#N)c2N)[C@H]1c1nccn1C 860529897 NPBMIVAONGRVIW-KBPBESRZSA-N 387.400 -0.398 30 20 GBED CCNc1nc(NCC)nc(NN=Cc2nc3c(c(O)nc(=O)n3C)n2C)n1 920362906 NOTGFTRXNINQTR-UHFFFAOYSA-N 387.408 -0.133 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2c(C)ncnc2O)C1 969885579 APGAEJZBSVXHTR-XFMPKHEZSA-N 376.413 -0.227 30 20 GBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2cn(CC(N)=O)nn2)c1 997366145 XWFSVAMDJGPBAZ-SUNKGSAMSA-N 382.384 -0.861 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCc2nc(O)n[nH]2)[C@H](c2cncn2C)C1 1070690791 NWEXLDNGFLWJHJ-BHPKHCPMSA-N 387.444 -0.081 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1O 1077807103 ALMOBDWNAXZMPX-LHHMISFZSA-N 381.473 -0.622 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)OCCOC 1109790767 DTVJQLBEYKSFQM-XGUBFFRZSA-N 382.461 -0.229 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1(C(=O)NC)CC1 1111139662 AHGHJBCEZLVKGW-KFWWJZLASA-N 375.473 -0.004 30 20 GBED CN(C)C(=O)CN1CCN(C(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1 1117974537 AWYIHGSWOJYYSG-UHFFFAOYSA-N 399.451 -0.620 30 20 GBED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C)C2=O)cc1 1118245980 OOUJPLRNWDZCHB-BXUZGUMPSA-N 392.437 0.000 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(CO)COC2)cc1 1319368664 FXJPMAFWPORBTR-UHFFFAOYSA-N 397.453 -0.443 30 20 GBED CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)Nc1cnn(CC#N)c1 1319552453 IFCWESMSPFFIEE-UHFFFAOYSA-N 390.425 -0.088 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2)n1 1323015209 SSHYERRUWCHGKG-HNNXBMFYSA-N 383.456 -0.007 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1323820754 WXSHQSGTFFWGFI-IXDOHACOSA-N 394.516 -0.048 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 1329794633 HMACFHBFMKNSMF-UHFFFAOYSA-N 387.502 -0.243 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2C[C@H](C)[C@@](C)(C(=O)OC)C2)CC1 1330488767 ZGCPDQFCOFZHPI-DJJJIMSYSA-N 377.441 -0.368 30 20 GBED C=CCn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1C1(OC)CCOCC1 1338138175 IXRDRSDWCZRMCD-ZDUSSCGKSA-N 390.444 -0.737 30 20 GBED N#Cc1ccc(N2C[C@@H](C(=O)NCCN3CCS(=O)(=O)CC3)CC2=O)cc1 1338492138 CGMRBBSOVWZWOD-HNNXBMFYSA-N 390.465 -0.242 30 20 GBED N#Cc1ncn(CCNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)n1 1341828612 CEFBGAATDPYESL-UHFFFAOYSA-N 376.398 -0.725 30 20 GBED CC(C)NS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 1345340531 SMCDFMAZZJQQQJ-AWEZNQCLSA-N 394.453 -0.260 30 20 GBED Cc1cccc(-c2nn[nH]n2)c1S(=O)(=O)N1CCN(C(=O)CC#N)CC1 1581216290 JERIGUQILZKSSG-UHFFFAOYSA-N 375.414 -0.078 30 20 GBED C=C[C@H](O)c1nnc(N2CCN(c3c(-c4nn[nH]n4)c(C)nn3C)CC2)n1C 1588525820 LACKUFQSYYBZRD-NSHDSACASA-N 385.436 -0.417 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)N(C)CCOCCN 1588635073 CPIULSLCLWPTHA-UHFFFAOYSA-N 387.444 -0.185 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](CNc2ccc(-c3nn[nH]n3)nn2)C1 1588722457 XLDJAXNRLWZHGP-BZPMIXESSA-N 386.416 -0.113 30 20 GBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 1604921401 QNGIZULVGUVZRQ-KFWWJZLASA-N 384.396 -0.069 30 20 GBED C#CCNC(=O)C1CCN(Cn2cc3c(c(-c4nn[nH]n4)c2=O)CCC3)CC1 1609021199 IZUNOWUFEIYDNE-UHFFFAOYSA-N 381.440 -0.064 30 20 GBED C=CCN1CCC(NC(=O)C(=O)NCCNc2ncccc2-c2nn[nH]n2)CC1 1609057484 VIWLRUUXEMQFQC-UHFFFAOYSA-N 399.459 -0.444 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCCN1C(=O)CNC1=O 1609492876 CHWVDZJOLAHWSB-CYBMUJFWSA-N 382.384 -0.393 30 20 GBED Cn1cc(C[C@H](CO)NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cn1 1630356706 OHHODOYFIQJUJE-MRXNPFEDSA-N 376.438 -0.074 30 20 GBED COC(=O)C1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)CC1 1781813392 FDJLECOQUVCRIY-FZKQIMNGSA-N 392.408 -0.459 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC)NC(C)=O)C[C@@H]21 1784475200 XAGWDVGPVUENPA-XNJHUCFUSA-N 393.484 -0.081 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 1784481109 HRCDVGHEMYGYDE-QZWWFDLISA-N 389.456 -0.314 30 20 GBED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785149014 BHFYQWLTYVXMHV-CYDGBPFRSA-N 391.428 -0.886 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(F)c3)[C@H]2C1 1786146768 DUKYXKOXYYLYRQ-CQDKDKBSSA-N 375.356 -0.098 30 20 GBED COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1793365139 MSWHIKQBMGOMEK-NJBDSQKTSA-N 376.500 -0.200 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)C=C 1797939311 DYODGASGTKBJRK-LBKYZSNHSA-N 377.441 -0.695 30 20 GBED CCOC(=O)C1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CC1 1800367350 GIINAEVUNKLLNB-JJLQDPRZSA-N 378.381 -0.993 30 20 GBED N#CCCC(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1806860764 QREWUDJIRNWJHJ-KBXCAEBGSA-N 398.423 -0.057 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnsn3)C2)C1 1831386491 GWYGLQVRIVYSTN-GUYCJALGSA-N 394.453 -0.354 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)nn1C)CCO2 1833448749 LWQJQHXUWQZRSO-LJQANCHMSA-N 390.440 -0.088 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cocn3)CCO2)C1 1834504377 ZFFSZITVLYGUSN-KDOFPFPSSA-N 377.397 -0.217 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838535748 BQEUEUKYQZIVPF-FZKQIMNGSA-N 395.481 -0.226 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1839158468 KIKSLEVMEXLFNJ-JJRVBVJISA-N 387.502 -0.468 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1839809215 UVOPXONIAJSYLB-AWEZNQCLSA-N 387.318 -0.473 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1840161937 GRXKZBDZJIWXKA-BZNIZROVSA-N 385.442 -0.445 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCOC2)CCO3)c1 1840537496 CMEKVCMNHSJNAV-KXBFYZLASA-N 388.424 -0.007 30 20 GBED O=C1NC(=O)[C@H](CC(=O)N2CCCC23CN(C(=O)/C=N/N2CCCCC2)C3)N1 1841960258 ONNQNKDYJBFQCB-UZPSYVQNSA-N 390.444 -0.740 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842873049 HKJFPTQNLFAGMJ-LBPRGKRZSA-N 375.362 -0.494 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCCC23CN(C(=O)c2cc4n(n2)CCNC4=O)C3)c1 1844795247 OCRCHFSJBAMNFF-UHFFFAOYSA-N 393.407 -0.043 30 20 GBED CN(C)c1nc(N)nc(CO/N=C(/N)C2=C(N)C3(CCCC3)N(C)C2=O)n1 148759696 ISZNHNKBQSQPIW-UHFFFAOYSA-N 375.437 -0.694 30 20 GBED C/N=C(/NCc1nc(C)no1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261745777 LFQXNYFFSBJXPF-UHFFFAOYSA-N 383.434 -0.411 30 20 GBED C=CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc2c(c1)nnn2O 291960963 OZJMGEMMLBPDJD-VIFPVBQESA-N 383.386 -0.819 30 20 GBED CN(CCN1CCOCC1)C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 297819513 LNQLDPDXZMKBPB-UHFFFAOYSA-N 399.495 -0.007 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCN2CCS(=O)(=O)CC2)c1 298450642 JQOCIJBAEKVDLD-UHFFFAOYSA-N 399.494 -0.942 30 20 GBED C[C@H](/N=C(/O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)N1CCOCC1 329226430 HKEQJZPTIKWVTE-HOTGVXAUSA-N 396.488 -0.097 30 20 GBED CCN(CCC/N=C(/O)N[C@@H]1CCCN(S(C)(=O)=O)C1)S(C)(=O)=O 330450478 XYXXHQDUXZLSDF-GFCCVEGCSA-N 384.524 -0.414 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[S@](=O)C[C@H](C)C1 349456931 JVWXFQCUTCLGJP-IFMYKAFSSA-N 399.560 -0.372 30 20 GBED N#Cc1ncn(CC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)n1 425961847 VBSJTVRTWHYGOS-UHFFFAOYSA-N 377.412 0.020 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)C1=O 440676387 RNKVGNGHANCWMH-RYUDHWBXSA-N 383.426 -0.469 30 20 GBED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)n1 479369667 CBUJBMAZKHEXFY-UHFFFAOYSA-N 386.433 -0.788 30 20 GBED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 526055681 KZPLNJNUCGHVHD-HOTGVXAUSA-N 377.489 -0.198 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)n(CCC#N)n1 533317344 DHMJLUJPLSITGR-AWEZNQCLSA-N 388.428 -0.107 30 20 GBED COCCCS(=O)(=O)NCC(=O)N1CCN(c2cnccc2C#N)CC1 561429385 MHIRJAIYWDUJJF-UHFFFAOYSA-N 381.458 -0.442 30 20 GBED Cn1cc(S(=O)(=O)NCCN2CCN(c3cnccc3C#N)CC2)cn1 565575204 JRZVFHYZXAHPHF-UHFFFAOYSA-N 375.458 -0.213 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCCS2(=O)=O)cc1 566829936 UEQIEIKYYWHQMD-CQSZACIVSA-N 385.467 -0.080 30 20 GBED COc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@](O)(CC#N)C2)cc1OC 592840409 UZMFGDIBHIXMOR-INIZCTEOSA-N 383.426 -0.141 30 20 GBED C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C(C)(C)C#N)C(N)=O 594633267 BPMSWTGJDQIIRL-JTQLQIEISA-N 388.471 -0.239 30 20 GBED CCOc1ccc(N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)nn1 595393115 WSPIEGDGIJTMCZ-CYBMUJFWSA-N 382.446 -0.534 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 728589352 BQZZUXGSCCQDGZ-UHFFFAOYSA-N 380.426 -0.041 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 728590265 ZIFRRQJCZWTMNY-UHFFFAOYSA-N 378.454 -0.299 30 20 GBED C#CCN(C(=O)COc1ccccc1-c1nn[nH]n1)[C@@H]1CCS(=O)(=O)C1 735375023 RINAJAJHNAEREY-GFCCVEGCSA-N 375.410 -0.106 30 20 GBED Cn1cc(S(=O)(=O)NN=C2CCc3c(F)ccc(F)c32)c(=O)n(C)c1=O 749625496 CIEQLXVZBOARQZ-UHFFFAOYSA-N 384.364 -0.009 30 20 GBED N#Cc1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)cccc1S(N)(=O)=O 754979060 YLQASDPIFXLJTH-UHFFFAOYSA-N 391.453 -0.523 30 20 GBED COC(=O)CNC(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767628128 PVZYRJAWTDUIRI-MNOVXSKESA-N 397.409 -0.554 30 20 GBED COc1cccc([C@H](C#N)NC(=O)Cn2cc(S(N)(=O)=O)cn2)c1OC 798324442 VYKMGXIUNAAIGS-LBPRGKRZSA-N 379.398 -0.071 30 20 GBED C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 820451419 VMMHBXQZASYISK-LURJTMIESA-N 393.414 -0.172 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)CC1 859225721 UKLANPPFIDDALV-HNNXBMFYSA-N 386.456 -0.943 30 20 GBED CC(C)(C)OC(=O)N1CCOC[C@@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 859338984 ZGGKFNHSFWRROR-STQMWFEESA-N 390.462 -0.319 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(N(C)C)nc2)CC1 891884402 VJJOZWJVRJRTIK-UHFFFAOYSA-N 380.474 -0.558 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1n1ccnn1 990964055 XKQXALWHSKGULQ-RZFFKMDDSA-N 386.416 -0.820 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 994076699 SVUNRIJUJNIAGF-WVZRYYJFSA-N 392.456 -0.270 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3OCC[C@H]3C(C)C)C2)nn1 1023949854 ICTBNPVDLCZAMD-XNISGKROSA-N 377.445 -0.173 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc3[nH]nnc3c2)C1 1024241272 HUHYSGRRGASBEF-MYPMTAMASA-N 386.412 -0.364 30 20 GBED COC[C@@H](C)NC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C#CC1CC1 1109259437 CVACDDVXDKYXGL-OJLVUWQFSA-N 376.457 -0.018 30 20 GBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CCN(CCN3CCOCC3)C1)CC2 1255507929 MIMWADDYDAMJEX-GOSISDBHSA-N 397.479 -0.030 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2C[C@H](OCC)[C@]23CCCO3)CC1 1323741419 SRVGPNQGSLIIEW-GUXCAODWSA-N 391.468 -0.183 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3C[C@H]4CCCCN4C3=O)CC2)c1 1331767535 QMBYBIWYAAPJLF-HZPDHXFCSA-N 396.451 -0.129 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCC(NC(=O)OC)CC2)CC1 1333688003 NETPZQYAAHOHNI-UHFFFAOYSA-N 378.429 -0.679 30 20 GBED COC(=O)C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCC#N)cc2)CCO1 1341799876 NRTUQCVMVNUYOB-OAHLLOKOSA-N 375.381 -0.004 30 20 GBED CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 1342750030 QMAHWZLUYUNDKH-DZGCQCFKSA-N 376.438 -0.188 30 20 GBED Cn1c(-c2ccc(CC#N)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1525859048 NJKJBVOTEJDJIJ-UHFFFAOYSA-N 392.427 -0.117 30 20 GBED C#CCOCCC(=O)N1CC(O)(CNC(=O)c2cncc(-c3cnn[nH]3)c2)C1 1575013459 PEUDBRRUXMKHDW-UHFFFAOYSA-N 384.396 -0.790 30 20 GBED C[C@@H](C#N)C(=O)N1CCC([C@@H](C)NC(=O)CC(=O)NCc2cnn[nH]2)CC1 1575175564 BNKRKUCOFXYEDE-NWDGAFQWSA-N 375.433 -0.286 30 20 GBED C[C@H](OCc1cnn[nH]1)C(=O)NC[C@H](O)CNCc1ccc(C#N)cc1F 1575851468 ADTFODLJIIRQAP-XHDPSFHLSA-N 376.392 -0.013 30 20 GBED C=CCOCC(=O)NCCCN1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 1588675486 GKGWVPQATUTAIA-UHFFFAOYSA-N 387.448 -0.512 30 20 GBED COCCN(CC#N)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1591422056 SOFIOWZMJGVPMW-NSHDSACASA-N 393.429 -0.468 30 20 GBED Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)N[C@@H]3CCN(O)C3=O)CC2)o1 1609445895 ZFILZBWERUPQPB-SNVBAGLBSA-N 376.377 -0.514 30 20 GBED CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)(C#N)CC1 1769372974 ARMZQIMQWJXWND-GFCCVEGCSA-N 395.489 -0.092 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780247644 TUUMZAGUSCBILF-IFXJQAMLSA-N 390.440 -0.214 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1781253028 VNDOIXSBRNOXQJ-KBXCAEBGSA-N 381.429 -0.540 30 20 GBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cc(C)c(O)nc1=O)CCO2 1783920618 WUQHKEJLAFXTQX-GOSISDBHSA-N 376.413 -0.337 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1784035993 YRFJRNSWULFQAS-ZRGWGRIASA-N 377.441 -0.619 30 20 GBED CN[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1)C(=O)O 1785365391 VPZFMJQLKYGPOA-ACJLOTCBSA-N 378.429 -0.427 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Cn1cncn1)C2 1793343959 FATFSBYFSZYLED-OVYGPGRDSA-N 389.456 -0.458 30 20 GBED CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2)C(=O)O 1795643825 VJCFHQAICVODPF-LMWOUKEDSA-N 389.412 -0.848 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(N)s1 1795683544 GHAHJNMMNWCCNC-NRWUCQMLSA-N 378.454 -0.033 30 20 GBED Cn1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c(C(F)F)n1 1796705526 OUCPDEIWEOFOTH-WDAIWFPHSA-N 396.350 -0.351 30 20 GBED Cn1c(=O)n(C)c2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)ccc21 1796980455 FCXHMCMHOOZZDC-ZSBFGKGUSA-N 397.435 -0.006 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(CO)on2)c1 1798734426 WZRMHKSZMSCTFS-DRXBFXEBSA-N 385.380 -0.116 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)C1 1829667077 UDERDDLVYUCEOR-BEFAXECRSA-N 377.441 -0.312 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830048851 MBXZBBAPIPTYBL-KXBFYZLASA-N 396.488 -0.074 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831563726 JHJFEXZGCULSAU-QWQRMKEZSA-N 397.428 -0.858 30 20 GBED C#CC(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C)CC3)CC2)CC1 1835482753 PMGXMYJIQGDEGL-UHFFFAOYSA-N 375.517 -0.561 30 20 GBED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840043429 XXMHAAPWJNFDII-HXUWFJFHSA-N 397.387 -0.284 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCOC3)CCO2)C1 1840533139 PQRLESFKHTUKPC-GPMSIDNRSA-N 380.441 -0.482 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CSCC(=O)O)C2 1841056150 TZLYMRBZATUSNA-PLNGDYQASA-N 381.454 -0.134 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842920462 OMOQEPQNHBVMFR-CYBMUJFWSA-N 395.460 -0.464 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc(C)c(O)nc1=O 1847803903 BMCCFQYKJSAKCQ-ILXRZTDVSA-N 388.424 -0.503 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(CC(N)=O)CC2)cc1 14482597 AVRDHUZLVFRTMO-UHFFFAOYSA-N 380.470 -0.170 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21 16365034 XDLFBGYWESYPOU-UHFFFAOYSA-N 388.380 -0.262 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCO)CCOC)cc1 275850907 WZYJIOCBXMVFRF-UHFFFAOYSA-N 399.469 -0.101 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1 283328906 AHLLRTBKPUIDSU-UHFFFAOYSA-N 390.487 -0.427 30 20 GBED Cc1noc(C)c1C/N=C(/O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 328820474 PZDYBEFAYHOLBY-UHFFFAOYSA-N 387.462 -0.100 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@@]3(C2)N=C(O)N(C)C3=O)CC1 329165320 HKPOVPBYESHAQK-KDOFPFPSSA-N 376.461 -0.491 30 20 GBED C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)CCCS(=O)(=O)NCC#N)C1 349491475 HWOPIJOZQSKSIZ-AWEZNQCLSA-N 392.547 -0.045 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)n1 367671672 KKXIMRIFMMGKBI-UHFFFAOYSA-N 384.400 -0.117 30 20 GBED N#Cc1ncn(CC(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)n1 426442224 JRRZUZWEOZWEBW-UHFFFAOYSA-N 383.412 -0.150 30 20 GBED N#C[C@]1(NC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCOC1 478664407 YIHMAHGUUJCAIF-MEDUHNTESA-N 378.410 -0.514 30 20 GBED N#Cc1ccc(NC(=O)CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 533060240 BYVFQRPBPVSIDY-CVEARBPZSA-N 378.454 -0.416 30 20 GBED CC(C)C[C@@H](CN(C)C(=O)Cn1cnc(C#N)n1)NC(=O)Cn1cnc(C#N)n1 536430770 WKVDACJWMPXLKY-ZDUSSCGKSA-N 398.431 -0.698 30 20 GBED CNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cn1 551065236 UEEXPHCVGNZSMI-CQSZACIVSA-N 397.395 -0.486 30 20 GBED CS(=O)(=O)N1CCN(S(=O)(=O)NC2(c3cccc(C#N)c3)CC2)CC1 551574536 VYDPGOPEKWOHIR-UHFFFAOYSA-N 384.483 -0.041 30 20 GBED CC(=O)NCCN(C)C(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 568628203 OMXXVYHFJJASRB-UHFFFAOYSA-N 375.404 -0.060 30 20 GBED C[C@@H](CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)S(C)(=O)=O 588630779 ZSXLOYDZPCRRSI-AWEZNQCLSA-N 392.481 -0.248 30 20 GBED CCN1C[C@H](CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1=O 593934191 KEXKGJQULWYVJS-HNNXBMFYSA-N 384.440 -0.414 30 20 GBED C=C(CNS(=O)(=O)N1CC[C@H](C)C1)CNS(=O)(=O)N1CC[C@H](C)C1 660128109 JPVVZVZLHSVQMM-STQMWFEESA-N 380.536 -0.105 30 20 GBED Cn1cnc2c1c(=O)n(CC(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1)c(=O)n2C 734566712 DWFAWENUGDZBSZ-AWEZNQCLSA-N 396.363 -0.925 30 20 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C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(F)ccc2C(=O)O)CC1 833365480 KFFFQBRUQREDGL-UHFFFAOYSA-N 397.428 -0.030 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 850712779 RVAQQAXTFPOPBW-MSOLQXFVSA-N 378.517 -0.031 30 20 GBED CN1CCN(C(=O)C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)[C@@H](CN)C1 868385237 NHYOBHMVUMVJFR-INIZCTEOSA-N 388.447 -0.553 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(CCN(C)C)c2)C[C@@H]1O 970711709 KQKLAUCQEGAAFL-NCOADZHNSA-N 391.472 -0.663 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cnn(C)c1 982385130 ZGJYZUGXUBPBDT-BARDWOONSA-N 385.428 -0.146 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1O 1077811634 BKMNYNMJMOKFTB-NHIYQJMISA-N 380.445 -0.929 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CCN(C(N)=O)CC1 1110078441 MDCZYNYLCFJKOS-OJLVUWQFSA-N 375.473 -0.364 30 20 GBED C[C@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ncn(C)n1 1117489769 ZVERNXGLZISPQC-WFASDCNBSA-N 395.423 -0.219 30 20 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N#Cc1cncc(NC[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCO2)n1 1581882759 FEQIUCOPYJLPRT-GFCCVEGCSA-N 380.372 -0.190 30 20 GBED CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)NN2C(=O)Cn2cnc(C#N)n2)C1 1584014265 OFLKQQDGYWYNER-INIZCTEOSA-N 375.389 -0.207 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)nc1 1588366993 FENGVXAIKMCQBG-OCCSQVGLSA-N 391.395 -0.597 30 20 GBED C=CCn1cc(C(=O)N2CC(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nn1 1588711310 NTUHNNAFSJIKIJ-UHFFFAOYSA-N 382.388 -0.526 30 20 GBED CS(=O)(=O)N1CCN(CCNc2c(C#N)cccc2-c2nn[nH]n2)CC1 1591679019 NGOYKCSHJIHYST-UHFFFAOYSA-N 376.446 -0.273 30 20 GBED N#CCNC(=O)CNS(=O)(=O)c1ccc(C(F)(F)F)c(-c2nn[nH]n2)c1 1592677834 JZSZSGMOPLOJGE-UHFFFAOYSA-N 389.319 -0.196 30 20 GBED CC#CCS(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1 1609060540 PJCVFIHGVNGQFU-GFCCVEGCSA-N 388.409 -0.311 30 20 GBED Cn1c(N2CCc3c(cccc3S(N)(=O)=O)C2)c(C#N)c(=O)n(C)c1=O 1612802972 PCGAXNBASWAETJ-UHFFFAOYSA-N 375.410 -0.834 30 20 GBED COC(=O)CCN(C[C@H]1CCCO1)C(=O)CCn1cc(C#N)c(O)nc1=O 1633799458 ONRVPOILPYVSJE-CYBMUJFWSA-N 378.385 -0.219 30 20 GBED N#Cc1ccccc1NC(=O)CCN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1653728146 PGNUGLYXTADPJY-DLBZAZTESA-N 392.481 -0.026 30 20 GBED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778379721 JGFHKNSCGBUCJX-GOSISDBHSA-N 386.412 -0.626 30 20 GBED N#Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)cc1 1778930736 BNZUDAFVZQPWPE-FQEVSTJZSA-N 395.419 -0.193 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782658313 BABGPZFSJJFMKM-BEFAXECRSA-N 388.424 -0.889 30 20 GBED C#CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783262392 OFOARZHVICUKON-FQEVSTJZSA-N 395.500 -0.704 30 20 GBED C[C@@H](Nc1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566394 ABBGNWAEOFHCQR-KUHUBIRLSA-N 386.408 -0.200 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)[C@H]2C1 1783626237 TVIZKQFOWOJYMX-NRKLIOEPSA-N 391.468 -0.469 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C)C[C@@H]21 1784486130 YYCQVHGIRBJWSI-XAJHFOFHSA-N 391.468 -0.375 30 20 GBED CC(C)N1CCC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1784806718 GPSVUNGNGKILFO-HNAYVOBHSA-N 377.441 -0.223 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnnc(Cl)c3)[C@H]2C1 1785454975 RRGPQBWPXUPRIQ-DRZSPHRISA-N 392.799 -0.189 30 20 GBED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1792634520 IICMTVROGKOLMN-ABXQLRGKSA-N 381.429 -0.258 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2 1793358819 SURUOWKSXFZEBS-JFILPPLUSA-N 376.413 -0.436 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccn1 1794641218 IXMYSDXOZNTGLH-BEXDMUFCSA-N 385.424 -0.462 30 20 GBED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)cn2[nH]cnc(=O)c12 1795084347 XQHPSQTZRPYUQU-JJLQDPRZSA-N 384.396 -0.552 30 20 GBED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N)[C@H]1SC(=N)NC1=O 1795418442 RTWRXUSSGIAWCS-KHQUWSPVSA-N 393.469 -0.318 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O 1800194188 RHKQTOHGRYYYCP-AFIMGQEJSA-N 390.440 -0.576 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830055635 BILTZYAJCHGPHJ-SCLBCKFNSA-N 395.460 -0.561 30 20 GBED C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1831320887 BMOQNUOQMWBYNA-CQSZACIVSA-N 383.412 -0.321 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1831392995 SHBUKVBZIZRTJG-GGXPGOJBSA-N 380.441 -0.748 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1834756000 HMGSCLYOZPDPHC-GOSISDBHSA-N 387.396 -0.836 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc[nH]1)CCO2 1836018604 MORXPVXMNNVDKQ-IBGZPJMESA-N 389.408 -0.508 30 20 GBED CO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447439 OSLUECFPAGMNED-OTLWHIMFSA-N 396.488 -0.051 30 20 GBED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(N)=O)CCO2 1839865613 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C=CC[C@H](CO)CNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 537109884 FCRBPDMNFLKBGK-HNNXBMFYSA-N 376.461 -0.001 30 20 GBED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@H](S(N)(=O)=O)C2)CC1 539449864 KFDTZQADWQOBGT-KGLIPLIRSA-N 397.526 -0.180 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC2(CC(N)=O)CC2)cc1 568900427 BAXPVGPMQDNGQK-UHFFFAOYSA-N 386.455 -0.578 30 20 GBED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)nc1 570310818 LEYMEGPPNDFUDY-CYBMUJFWSA-N 387.487 -0.108 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@]1(O)CN2CCC1CC2 577123197 DYXKORUSBYQZRV-SCLBCKFNSA-N 392.481 -0.202 30 20 GBED CCNC(=O)N1CC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 582577240 LZRVSNLYYNMOOE-CYBMUJFWSA-N 379.442 -0.243 30 20 GBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 592904416 AMCGNYXYYZAHCU-CHWSQXEVSA-N 381.410 -0.781 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)CC2)cc1 593389948 FSHNXGIOTBERKE-AWEZNQCLSA-N 398.466 -0.917 30 20 GBED C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2ncc(C#N)s2)CO1 594640192 KHMFLDJKGIUWLV-NXEZZACHSA-N 394.500 0.243 30 20 GBED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 595983161 YYDDSOAOUTUUNT-RDJZCZTQSA-N 386.452 -0.020 30 20 GBED CN1C(=O)C(=O)N(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1=O 609581396 UXHYGJHIZFNFIB-AWEZNQCLSA-N 387.371 -0.045 30 20 GBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC1(C#N)CCN(C)CC1 610240285 KBPWZOAZXORARD-LBPRGKRZSA-N 382.490 -0.192 30 20 GBED COc1nc(=NC2CCN(CC#N)CC2)[nH]c(=NC2CCN(CC#N)CC2)[nH]1 610541667 JUXCVLKEQGEQIA-UHFFFAOYSA-N 385.476 -0.476 30 20 GBED C=CCNC(=O)[C@H](C#N)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727234180 YOLIOBUDBJFUEF-MRVPVSSYSA-N 393.201 -0.096 30 20 GBED COCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CC3)c2=O)cn1 743726822 VJMSERXAHICDTG-UHFFFAOYSA-N 399.476 -0.131 30 20 GBED COC[C@@](C)(CC(=O)OC)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 749428217 MFZCDJLTEUQOEZ-MRXNPFEDSA-N 383.426 -0.191 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)NCCc1cccc(C(N)=O)c1 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C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nc1 994614995 REXIEJGGTGWVFO-QIJZBDPFSA-N 384.436 -0.080 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1O 1023916538 YPJAMAIGGRDXHZ-VLXAULBPSA-N 379.413 -0.349 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@H]1O 1023957751 ACEMYBFIQDBDTC-NGFQHRJXSA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(C)nc2OC)C1 1024219006 BFMYLLMTRIVUJK-NGFQHRJXSA-N 376.413 -0.314 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1noc(CCOC)n1 1109175713 XQSUVPHXLLEISR-RDBSUJKOSA-N 375.429 -0.381 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1(C(=O)NC)CC1 1109837232 YWSABFKWAUJNDZ-AGIUHOORSA-N 377.445 -0.754 30 20 GBED COCC(=O)N[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N)C(C)C 1111110577 DUIIHRWOFSERLJ-WVZRYYJFSA-N 379.461 -0.865 30 20 GBED CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 1116243087 KUPMKGQIZAUDJU-UHFFFAOYSA-N 383.412 -0.052 30 20 GBED COc1ccccc1N1CC[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C1=O 1150735210 WQVDVQQAUZYXAZ-LBPRGKRZSA-N 383.364 -0.249 30 20 GBED N#CC1CCN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)CC1 1257286095 CZSZIQVSGCIWJD-UHFFFAOYSA-N 378.454 -0.016 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@@H]1CCN(C2CC2)C1 1257472881 OZXUIMRAEJNPIT-ZIAGYGMSSA-N 383.456 -0.262 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 1326801481 NOKLBUIZLQTMMR-UHFFFAOYSA-N 387.392 -0.534 30 20 GBED C=CCN(C(=O)C(=O)NC1CCN(S(=O)(=O)CC)CC1)[C@@H](C)COC 1327868706 CHDUKVMLCJNXSS-ZDUSSCGKSA-N 375.491 -0.034 30 20 GBED C=C(C)Cn1c(C2CC(O)C2)nnc1N1CCN(CC(=O)NCCOC)CC1 1515613416 UOAKBROYMLUPIZ-UHFFFAOYSA-N 392.504 -0.023 30 20 GBED C[C@@H](OCc1cnn[nH]1)C(=O)NC[C@H](CO)NCc1ccc(F)c(C#N)c1 1575854790 RFQCHCBOBIVDNP-BXUZGUMPSA-N 376.392 -0.013 30 20 GBED Cn1cnc(C(=O)N(Cc2cnn[nH]2)C2CCN(CC(=O)NCC#N)CC2)c1 1577673225 XVJBPDQNWRATIC-UHFFFAOYSA-N 385.432 -0.715 30 20 GBED N#Cc1nc(N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cnc1-c1nn[nH]n1 1581879697 UTHIXHXVXGCNQR-NWDGAFQWSA-N 376.384 -0.117 30 20 GBED C#CCOCCC(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nn[nH]n2)C[C@@H]1O 1588361701 ROYCOHREOXGBGB-GJZGRUSLSA-N 385.428 -0.334 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nc1 1588365111 RTCQDEUNCMYRMB-HUUCEWRRSA-N 392.379 -0.814 30 20 GBED C=CCC[C@H](NC(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O)C(=O)OCC 1588579455 MTZORLIFVBXOPL-JTQLQIEISA-N 377.361 -0.857 30 20 GBED COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCN(C)C[C@H](C(=O)O)C1 1598918181 SICLJXYRRGVTGT-LBPRGKRZSA-N 381.410 -0.018 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 1602630977 GCZHSRYMEGOHBC-JHPGURCUSA-N 378.385 -0.355 30 20 GBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@@H]1C 1602722545 XJWCMTAPSQBJOE-JSGCOSHPSA-N 384.444 -0.368 30 20 GBED C=CCCOCC(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1602845069 WAYFCRZKSZWKNS-KRWDZBQOSA-N 389.416 -0.519 30 20 GBED N#CCNC(=O)CN1CC=C(CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1606350087 PAELJYUCUGUOFF-UHFFFAOYSA-N 383.416 -0.413 30 20 GBED COC(=O)[C@@H]1C[C@H](C(=O)O)CCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 1606369751 GQFKYXWVRCZMDX-XWXLAHMZSA-N 379.369 -0.232 30 20 GBED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C2 1782188760 PONYEXIHOXGJIE-RZQQEMMASA-N 392.500 -0.103 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)c1 1784118292 RZEHWUFKEUYSCL-LJQANCHMSA-N 397.391 -0.745 30 20 GBED COC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1791476145 BHNNWIKBLLZWRO-YDHLFZDLSA-N 389.412 -0.164 30 20 GBED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(O)O)ccc1F 1792799236 UXQZPMMFMZUPHO-YWVIFJGQSA-N 377.372 -0.860 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2 1793341507 XGJHMCOYMWQQEA-JGFGOLAASA-N 377.441 -0.860 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(N)=O 1793430477 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CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831215454 NURVCTDZVLRNAR-KXBFYZLASA-N 392.456 -0.697 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccnc1OC)CCO2 1833511211 YCCDKBWXWDMUGV-IBGZPJMESA-N 388.424 -0.031 30 20 GBED C=CCC(=O)N1CCC(N2CCC(NC(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833765063 QJWGKAIWQAHRCN-OAHLLOKOSA-N 391.472 -0.268 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1834765949 NQVWJYHNYXGRIF-LJQANCHMSA-N 398.423 -0.358 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)CC1 1835394014 LQILBMORLMFEIA-IBGZPJMESA-N 392.456 -0.921 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3C=CS[C@H]31)CCO2 1839700113 GBZDRYPHFKXVCJ-YMCQQKJTSA-N 392.433 -0.594 30 20 GBED CCn1cc(C#N)c(=O)n(Cn2nnc3c(cnn3-c3ccccc3)c2=O)c1=O 125476752 OIFAFMKKGPHTTE-UHFFFAOYSA-N 390.363 -0.302 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)Sc2nnnn2C2CC2)CC1 264187391 PPJPLZKDAKTBEB-CYBMUJFWSA-N 391.501 -0.228 30 20 GBED COc1ccc(C#N)cc1NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1 275974827 HBYDSJJUABAAJI-AWEZNQCLSA-N 376.413 -0.343 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)CN3CCCS3(=O)=O)C2=O)cc1 276842349 IXICJTVVOSVRMM-HNNXBMFYSA-N 376.438 -0.189 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(S(C)(=O)=O)CC1 280678679 DMMXKUIRXUGCLK-LLVKDONJSA-N 385.467 -0.082 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 288773233 XXSKPRVZTWJMGD-YUELXQCFSA-N 375.429 -0.261 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 292368941 SBJZRRPJUGXIAV-ULQDDVLXSA-N 392.500 -0.151 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN([C@@H](C)C(=O)NC(=O)NCC=C)CC1 298168070 XKDWCFWLIKRHOD-KBPBESRZSA-N 394.476 -0.595 30 20 GBED N#CCSCC(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 298389335 DRYSRYJNAPEYSU-UHFFFAOYSA-N 395.466 -0.054 30 20 GBED CCN1CCC[C@H]1CN/C(N)=N/CCS(=O)(=O)NC[C@@H]1CCCCO1 304762246 VKXQRNSEYGVQIT-GJZGRUSLSA-N 375.539 -0.137 30 20 GBED CN1CCN(C)[C@H](C/N=C(/O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1 329227713 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-0.455 30 20 GBED Cc1ccc(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)cc1S(=O)(=O)NCC#N 425068595 BWKYTMGNCKDSAT-GFCCVEGCSA-N 378.410 -0.326 30 20 GBED Cc1ccc(C(=O)NCc2cc(C(N)=O)no2)cc1S(=O)(=O)NCC#N 426913479 GFJVJGWQBSIPIM-UHFFFAOYSA-N 377.382 -0.186 30 20 GBED COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 457251584 DDZWPFVABPRKNX-JKOKRWQUSA-N 381.410 -0.640 30 20 GBED CN(C)c1noc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)n1 505894237 DBENDABHTQJJEX-UHFFFAOYSA-N 378.414 -0.056 30 20 GBED CNS(=O)(=O)c1cccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 530269012 YSTOBJGEPUBNEX-UHFFFAOYSA-N 389.393 -0.574 30 20 GBED Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC(CC#N)CC3)cnc2n(C)c1=O 541971591 MZDUAXYVCTVZHE-UHFFFAOYSA-N 384.396 -0.277 30 20 GBED N#Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)nc1 555854069 SEDXNZJOHAECSQ-UHFFFAOYSA-N 379.380 -0.266 30 20 GBED N#Cc1ccc(C2=CCN(C(=O)C(=O)NCC(=O)N3CCNCC3)CC2)cc1 570308418 KASHBLYGEFMZOB-UHFFFAOYSA-N 381.436 -0.278 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2C[C@@H](C(N)=O)C2)cc1 594628292 CYEVQRBIRMGNOQ-GARJFASQSA-N 386.455 -0.581 30 20 GBED Cn1cc(C(=O)[C@H](C#N)c2nc(N)nc(=Nc3ccccc3)[nH]2)c(O)nc1=O 613295358 AIACABGTSXRIEV-JTQLQIEISA-N 378.352 -0.091 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 615633143 LRGPCTWRHCUJAO-MRXNPFEDSA-N 378.364 -0.855 30 20 GBED N#Cc1ccc(S(=O)(=O)NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 744008181 YPFCNEURCCTEFL-UXOAXIEHSA-N 389.389 -0.474 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745483000 PTNHVMHHUZMCPA-PGDSQXASSA-N 377.397 -0.254 30 20 GBED C#CCNC(=O)C1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 746326202 NYVYZCFYWUQADP-UHFFFAOYSA-N 393.469 -0.469 30 20 GBED Cc1ccc(-c2n[nH]cc2C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)o1 771889993 CYYVXSWDXHLBIY-UHFFFAOYSA-N 392.397 -0.312 30 20 GBED Cn1c(=O)nc(O)c2cc(C(=O)NS(=O)(=O)CC3(C#N)CCC3)cnc21 774501243 BXEJKNGDBSMNDN-UHFFFAOYSA-N 377.382 -0.212 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 785158317 TWIDQJBPXSUPOB-UHFFFAOYSA-N 379.438 -0.374 30 20 GBED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H]3CNC[C@H]3C#N)CC2)cc1 834488256 BCHGNUFHHDFBSU-WBVHZDCISA-N 391.497 -0.471 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1 838172853 NGGUZTCVWVOWFY-MRVPVSSYSA-N 394.409 -0.144 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CCc2ccc(F)cc2)CC1 872515781 VXGFZSXTNZXUAX-UHFFFAOYSA-N 389.474 -0.217 30 20 GBED C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 890373488 VFYPXHRVDDCEHM-OAHLLOKOSA-N 389.456 -0.913 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(C(=O)NCCNc2ccc(C#N)cn2)CC1 916520194 COLJJTKRMJFBLR-UHFFFAOYSA-N 387.444 -0.256 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(O)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1074733133 XDOSVKUOJQUUIN-FZKCQIBNSA-N 393.484 -0.051 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCN(C)C1=O 1109622271 IYULYVSHFCNOMT-UGUYLWEFSA-N 375.473 -0.052 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CNC(=O)c2ccccc21 1110677796 BJTNQJJLBHOBKC-YYQUZTFQSA-N 381.436 -0.125 30 20 GBED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 1116720145 IFWUAIXNWVMSPE-OLZOCXBDSA-N 395.437 -0.076 30 20 GBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 1193076284 PSGKFROQKLCUKE-BRSBDYLESA-N 386.452 -0.392 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@H](C)C1 1207686723 LVVKLKNGRYNFHR-KBUPBQIOSA-N 381.477 -0.846 30 20 GBED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCNC(C)=O)C1=O 1318174924 CLVOFEMBDLRCOR-ZDUSSCGKSA-N 391.453 -0.011 30 20 GBED CS(=O)(=O)NCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1322540540 MSMAUAWDVSDLBA-UHFFFAOYSA-N 397.432 -0.989 30 20 GBED N#Cc1ccc(N2C[C@H](C(=O)NCC3(O)CCS(=O)(=O)CC3)CC2=O)cc1 1324976808 NZJCCCZIKGMJTJ-CQSZACIVSA-N 391.449 -0.033 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)CC1 1326613173 VKSZIRRGNPSVGY-JKSUJKDBSA-N 390.484 -0.262 30 20 GBED C=CCN(C(=O)C(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1)C1CC1 1327214646 GMMRLKLFAUWNSY-HNNXBMFYSA-N 380.489 -0.151 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N(C)Cc1ccccc1S(N)(=O)=O 1327473486 PEUQJHFIRBWNTP-UHFFFAOYSA-N 381.454 -0.209 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC1CCN(S(C)(=O)=O)CC1 1330207919 KBYXHTABZDOWJO-CABCVRRESA-N 387.502 -0.128 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)n1 1331840487 LLDNRHRPEIFJKH-UHFFFAOYSA-N 386.416 -0.364 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CCO1 1345534553 SKBDYTCTKILEHZ-MRXNPFEDSA-N 385.424 -0.798 30 20 GBED C#CCNC(=O)CNC[C@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CCCC1 1588354391 LSCQDVLEYULDCD-HNNXBMFYSA-N 384.444 -0.178 30 20 GBED C#CCNC(=O)CN[C@H](C)[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588354594 QXBIODFSIDCMJH-OLZOCXBDSA-N 384.444 -0.226 30 20 GBED C=CCCn1cc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[nH]n3)nc2)nn1 1588620795 HJJUNARRHFNNPZ-LBPRGKRZSA-N 384.404 -0.368 30 20 GBED C=CCn1cc(C(=O)N[C@@]2(C)CCN(c3cncc(-c4nn[nH]n4)n3)C2)nn1 1588713754 RYDNLDZMIXSBPD-INIZCTEOSA-N 381.404 -0.167 30 20 GBED C=CCn1cc(C(=O)NC[C@@H](CO)Nc2ncc(-c3nn[nH]n3)cc2F)nn1 1602882312 HSTVAPAPSATVPM-JTQLQIEISA-N 388.367 -0.619 30 20 GBED N#Cc1cn(CC(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)c(=O)nc1O 1629823294 ZTJZZWBPYWRXGE-CQSZACIVSA-N 397.391 -0.383 30 20 GBED N#Cc1cn(CCNC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)c(=O)nc1O 1641034313 ZGSWPPIQBNBQJH-LJQANCHMSA-N 381.392 -0.215 30 20 GBED CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010407 SIIKHNDPYONJKQ-ZXYWRSMDSA-N 393.440 -0.545 30 20 GBED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785215248 LHZDADDNWMCWJL-UBHSHLNASA-N 376.373 -0.315 30 20 GBED CS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1786648848 PHMBJWZTPODWAT-YDHLFZDLSA-N 394.453 -0.476 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790177374 QTXJSIOYAOBDPC-QCQGSNGOSA-N 381.429 -0.558 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1793818942 IZXKSTADXAIOBC-OXIQGZBJSA-N 396.469 -0.907 30 20 GBED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795637683 NPSQIBUUUFUNHO-GFQSEFKGSA-N 388.415 -0.620 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796136443 CAODABDBUJLBNI-DPYKFYPSSA-N 389.408 -0.266 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC(N)=O 1796316681 HPLCBMVTWVCXMM-NIFZNCRKSA-N 382.461 -0.386 30 20 GBED N#CC1(C(=O)N2CCCC3(CCN(C(=O)CN(CCO)CCO)CC3)C2)CC1 1809505770 ZCSHMFMWYKSPJT-UHFFFAOYSA-N 392.500 -0.192 30 20 GBED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1 1822203764 NYLUZADZKQMKBV-LBPRGKRZSA-N 399.363 -0.585 30 20 GBED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1829855469 BLJGYRKBVUZCPA-QAPCUYQASA-N 380.445 -0.339 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NN(C)C(=O)CC1)CCO2 1832380753 KTORSFRJTBUNKL-LJQANCHMSA-N 390.440 -0.536 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1832453374 XXZIHEMJRLTYEL-INIZCTEOSA-N 381.458 -0.206 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835849530 VKHUDDUSKIRMQD-KRWDZBQOSA-N 377.401 -0.265 30 20 GBED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)nn1 1838347132 MEDGOVRWNPAJLA-SFHVURJKSA-N 389.412 -0.141 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCSC3)C2)C1 1840045110 RLTOCKGHCLRPJN-KSSFIOAISA-N 396.465 -0.326 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CC(=O)C2)CCO3)c1 1840833380 BAOJKWSKUBDSRX-IBGZPJMESA-N 386.408 -0.065 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1840842503 JZBHBHWRTYFLMX-GOSISDBHSA-N 396.513 -0.660 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)CCOC(C)C)CC1 267039423 OOPQTCRWJMGNGY-AWEZNQCLSA-N 390.506 -0.241 30 20 GBED CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)C1 270263530 ZRQBZVWHWJXJPS-CYBMUJFWSA-N 376.438 -0.155 30 20 GBED N#CCN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 331498919 SMDHUIZEPMYZLT-UHFFFAOYSA-N 378.454 -0.011 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCS(=O)(=O)CC1 364461572 WNUMVYJWGABFQI-LBPRGKRZSA-N 385.467 -0.128 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC3(CCOCC3)[C@H]2C)CC1 410839590 CWBXIGCNSXOBDX-MRXNPFEDSA-N 392.500 -0.150 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3CC[C@@H](C(=O)O)C3)CC2)c1C#N 422937287 JJCSMHHWCNAKFQ-LLVKDONJSA-N 377.426 -0.095 30 20 GBED Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1C#N 441648826 QLFNGZUHPFFPKB-UHFFFAOYSA-N 399.451 -0.192 30 20 GBED C[C@H](C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1)c1cccc(C#N)c1 462037723 JQMDZYPISDZYMI-RRQGHBQHSA-N 377.466 -0.036 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(S(C)(=O)=O)s2)C1=O 470731366 BPSTUELEFARUNR-UHFFFAOYSA-N 385.423 -0.255 30 20 GBED C=CCNc1nnc(S(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C)s1 479031266 UUHDREMVHPASKM-UHFFFAOYSA-N 375.476 -0.059 30 20 GBED CC(=O)NC[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCO1 482225245 ROPQGLFYEJFXFM-DOMZBBRYSA-N 394.453 -0.411 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NCCCN2CCNC(=O)C2)c1 486436532 QXFWCUWQEVNOAZ-UHFFFAOYSA-N 380.470 -0.297 30 20 GBED C[C@@H]1OCC[C@]1(O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 516194486 KALRGYRPINVYTP-FZMZJTMJSA-N 389.455 -0.693 30 20 GBED C[C@@H](C#N)CNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 542876950 HYZZJTDAYCTYQY-AWEZNQCLSA-N 380.474 -0.008 30 20 GBED C[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 563426153 GSZPHQJOULDCPT-STQMWFEESA-N 398.466 -0.132 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)CC(=O)N1C 568255855 JGFOCJCBODSUSK-LLVKDONJSA-N 380.492 -0.910 30 20 GBED CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 569591095 UMMXPHJEDILIKT-SNVBAGLBSA-N 386.455 -0.566 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCC(=O)OC(C)(C)C 583582092 UEVKZBDCVYACAI-UHFFFAOYSA-N 378.433 0.103 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N[C@@H](CO)c2nc(-c3ccccc3)no2)CCO1 619710416 GNSMZYNKXYHNRQ-STQMWFEESA-N 379.398 -0.171 30 20 GBED C#CCCCNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 743969855 DOVBREMUIGQOGM-UHFFFAOYSA-N 393.469 -0.369 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(CC(N)=O)CC1 764654757 NYZQQVYUOFTZNN-GFCCVEGCSA-N 393.469 -0.709 30 20 GBED C[C@@H](OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)C(=O)NC1(C#N)CCC1 787563855 FUOJEYBFSBOLDQ-SNVBAGLBSA-N 379.398 -0.550 30 20 GBED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnn(C)n1 787854410 XHSCHFJXPUHBBC-LBPRGKRZSA-N 391.457 -0.020 30 20 GBED COc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C)c1OC 807979848 YNAMVOOOQUVKBJ-UHFFFAOYSA-N 396.425 -0.278 30 20 GBED C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C)c1-c1nn[nH]n1 823844710 HCOSBBDDFBXZNW-LBPRGKRZSA-N 395.466 -0.014 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cnn(CC(=O)O)c1 828500905 YVRGIFWXXRLREC-NSHDSACASA-N 391.413 -0.471 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]32)CC1 831584606 NBZZVUZMMVIUEB-ZNMIVQPWSA-N 382.486 -0.707 30 20 GBED C#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)Nc1nnn(C)c1C 848957966 GIMCRKNZZWLIPH-UHFFFAOYSA-N 375.476 -0.317 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(F)c(F)c(F)c2)CC1 872514860 BKIWSCZHCHRBDE-UHFFFAOYSA-N 397.400 -0.122 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](C)C1 940215034 QMRHRFBZZFOSRI-TUVASFSCSA-N 392.456 -0.127 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C[C@@H]2NC(=O)NC2=O)nc1 997763516 VMYULUPPYJKOIW-UNQGMJICSA-N 381.392 -0.477 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2cnc(O)n(C)c2=O)n1 1055426437 NTUSZYDFZHBAIR-BNOWGMLFSA-N 381.396 -0.004 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnn(C)n2)C[C@@H]1n1ccnn1 1069929292 ABAKSDHUCKXESH-KBXIAJHMSA-N 387.448 -0.676 30 20 GBED C=CCNC(=O)CN1C[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@]2(C)C1 1101362793 DOICVPWFRGVSLY-ASKKUZCQSA-N 392.500 -0.295 30 20 GBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1103258556 FYOVXQBQALRXRV-KCYAQADSSA-N 378.473 -0.248 30 20 GBED O=C1CC2(CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)CN1 1116220883 FHYCRBSRRUEXCB-UHFFFAOYSA-N 376.438 -0.146 30 20 GBED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)N1CC[C@](O)(CC#N)C1 1118213530 AGTKCSFQLBCQCH-QGZVFWFLSA-N 381.400 -0.259 30 20 GBED N#Cc1ccc(CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1 1319169497 BZNOQNYSWUMTJZ-UHFFFAOYSA-N 396.407 -0.132 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CCO1 1322235448 QIZPUMIRCPAYNP-KRWDZBQOSA-N 399.451 -0.408 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 1322823753 OFNLSLROPUFBDY-LLVKDONJSA-N 389.378 -0.382 30 20 GBED CC(C)CN1CC[C@H](CNC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1323419669 IUIZZDGSFHQCLJ-UPTRSRDDSA-N 391.472 -0.277 30 20 GBED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(=O)N(C)C)cc1 1326763239 AHVFROQOHOTRKD-NSHDSACASA-N 380.426 -0.095 30 20 GBED CN(CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1)S(=O)(=O)c1cccs1 1329712421 VJUNRNBNCVGIQM-NSHDSACASA-N 386.455 -0.764 30 20 GBED C#Cc1cccc(Cn2nnnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)c1 1334424531 HIBLLVJQFSTBIK-UHFFFAOYSA-N 381.440 -0.124 30 20 GBED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1 1344758208 QVZFQDHGQVGSNJ-RDTXWAMCSA-N 397.451 -0.864 30 20 GBED C[C@@H](C#N)C(=O)N1CCC[C@@H](N(CCO)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573566921 HPMPRMZKQZPSPP-NWDGAFQWSA-N 386.416 -0.220 30 20 GBED C=CCn1cc(C(=O)N[C@]2(C)CCN([C@H](C)C(=O)NCc3cnn[nH]3)C2)nn1 1575112702 WRJZPXMQHVODJR-SJKOYZFVSA-N 387.448 -0.519 30 20 GBED COC(=O)C1(C#N)CCN(S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)CC1 1579438967 WMOZQZVMRKHBKN-UHFFFAOYSA-N 377.386 -0.271 30 20 GBED C=C[C@@](C)(O)CC(=O)N1C[C@H]2[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C1 1588499632 LEWUVCJQRCXOBC-ZIVKBKJYSA-N 385.428 -0.044 30 20 GBED CN(CCC(=O)O)S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1598471423 LGNCCJMOAKIHBE-QWRGUYRKSA-N 376.435 -0.014 30 20 GBED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(CC#N)CCC(=O)O 1600967456 GTBVJCZAMZIZTK-UHFFFAOYSA-N 384.414 -0.514 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CCCN(CC(N)=O)C1 1609493523 OCRFOICYACZKGQ-LSDHHAIUSA-N 382.428 -0.385 30 20 GBED Cn1nc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c2c1CCC2 1777964338 LMTINLPDXRLJGL-LJQANCHMSA-N 386.408 -0.560 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(=O)oc1)C2 1782011302 YJNPPPCLUMLHGC-AUUYWEPGSA-N 388.376 -0.145 30 20 GBED CCN(CC)C[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782702253 IMZRKDNIUITQCL-KXBFYZLASA-N 379.457 -0.118 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1783563862 DCKMJMFGLSTZKD-SFHVURJKSA-N 383.364 -0.511 30 20 GBED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1789959429 IJKZPMBULBCRMR-XUXIUFHCSA-N 383.449 -0.565 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OC)cn1 1794948684 XSFWUGVYYOGRPD-ZJOBFFGXSA-N 388.424 -0.273 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2 1797714462 TXEIJYHRPPRKRM-FQLMCAECSA-N 377.445 -0.559 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1799395181 JRUVMZXMGKHKAJ-VTMBPIDISA-N 382.461 -0.900 30 20 GBED CC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1800510462 VQYCHDIRYOKFNU-HGKCTWBKSA-N 391.468 -0.589 30 20 GBED N#CCCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814801858 LNGFFYDBNHLSHS-ZJUUUORDSA-N 378.458 -0.048 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2 1831022933 DRSHPQHTOJLXQB-LJQANCHMSA-N 393.440 -0.302 30 20 GBED COCC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1834972190 CQBTUKGRZWBSSE-ABQTWSPHSA-N 379.413 -0.199 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)CC1 1835342693 KXMYIEIQFBGRFA-IBGZPJMESA-N 392.456 -0.921 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839785704 ZTYWSRGGVXZTCP-WMLDXEAASA-N 386.470 -0.404 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)C1 1839866566 FEMOTYOJJFKTDE-HNAYVOBHSA-N 377.441 -0.455 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1840157285 KGJDSEVMMRTBOC-ZBEGNZNMSA-N 382.442 -0.430 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1840157992 FKAPZCKSQPJQLE-CXAGYDPISA-N 380.470 -0.206 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840360293 XTJYOMVMGBPXTI-XJKSGUPXSA-N 383.474 -0.557 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@](C)(O)CN(C)C 273401299 WYSNLVHTMZAFQI-SFHVURJKSA-N 378.429 -0.049 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCN(c2ncccn2)CC1)c1cc[nH]n1 276462377 CACFEWOSSDWEGU-PXLXIMEGSA-N 387.400 -0.168 30 20 GBED COCCOc1cccc(CNC(=O)CN(CC#N)S(=O)(=O)N(C)C)c1 289479913 XXNGPMYWSWBQIM-UHFFFAOYSA-N 384.458 -0.040 30 20 GBED COC(=O)C1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 290277985 CXIWCDZRKFLKAS-UHFFFAOYSA-N 381.410 -0.637 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@](C)(O)CNC(=O)OC(C)(C)C)c1=O 290833376 UWFICDUXSMHFSO-GOSISDBHSA-N 396.444 -0.181 30 20 GBED CN(c1ncccn1)S(=O)(=O)CCCS(=O)(=O)N1CC[C@](F)(C#N)C1 348358122 XRLMRIHDOILUCC-ZDUSSCGKSA-N 391.450 -0.100 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)ncc1C#N 349472681 GYWCSRQMYYGXGX-UHFFFAOYSA-N 397.482 0.569 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCN(C)C(=O)C1 349597268 CZXBCLLIUTYWFD-LBPRGKRZSA-N 380.492 -0.956 30 20 GBED C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 420049878 YOPDRBGGASXPDN-HIFRSBDPSA-N 386.456 -0.169 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCN2CCCO)cc1 452355019 WXEQRPCJSJWXAQ-OAHLLOKOSA-N 380.470 -0.200 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCNC(=O)c1cnccn1 464959318 HSMVFLKAOKMOSJ-CYBMUJFWSA-N 395.427 -0.212 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](CO)c1cnn(C)c1 481778763 KWFFSBHNJBBLDM-NHYWBVRUSA-N 377.426 -0.192 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1C(=O)CCCC1=O 482372447 NIOXVTPIIOLRLZ-GFCCVEGCSA-N 392.437 -0.120 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1C[C@H](O)COc1ccc(C#N)cc1 497574748 KZKBOLACALQRLY-RDJZCZTQSA-N 391.424 -0.322 30 20 GBED CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCCn1cnc(C#N)n1 510614024 JXCOKNHHTYRJSH-INIZCTEOSA-N 398.471 -0.262 30 20 GBED CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 538104923 AURUPHCTDDHEHE-GFCCVEGCSA-N 396.473 -0.012 30 20 GBED COCCOCCN(C)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 580241035 DGIOTYVUJSKZCA-UHFFFAOYSA-N 386.412 0.258 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1 598174876 HYDFQFOYWDOERY-HIFRSBDPSA-N 376.438 -0.036 30 20 GBED Cc1ccc(C(=O)N2CC(NS(C)(=O)=O)C2)cc1S(=O)(=O)NCC#N 600326427 PLZIWNVWWOWFLH-UHFFFAOYSA-N 386.455 -0.830 30 20 GBED C=CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 668883254 JUDDMLZPGHRDNN-ZFWWWQNUSA-N 382.438 -0.204 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC(=O)c2cccs2)C1=O 726043508 WZSOFTVVFZQDDH-UHFFFAOYSA-N 379.350 -0.476 30 20 GBED Cn1cc(C=NNc2ccc(S(=O)(=O)NC3CC3)cc2)c(=O)n(C)c1=O 726425457 RCAKLJJQNWWDNP-UHFFFAOYSA-N 377.426 -0.029 30 20 GBED N#Cc1c(F)cccc1S(=O)(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 751005698 WMETYTRNURQVPW-SNVBAGLBSA-N 389.430 -0.331 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCN(CC(=O)OC)CC1)c1cc[nH]n1 772591398 KKGCPUOHWKPPMY-UHFFFAOYSA-N 381.389 -0.989 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 783347526 NVZOMFYDCVPSBV-UHFFFAOYSA-N 377.426 -0.018 30 20 GBED COCCNC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 784217658 TUWIDHANYVYIKW-VXGBXAGGSA-N 383.426 -0.081 30 20 GBED CN(C)S(=O)(=O)c1ccc(NN=Cc2c(N)n(C)c(=O)n(C)c2=O)cc1 812231142 JPADTEADIJKURV-UHFFFAOYSA-N 380.430 -0.638 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 834457853 SQRSSDUTCYKEBP-CQSZACIVSA-N 393.465 -0.284 30 20 GBED C#CC[C@H](NC(=O)c1cccc(C(=O)N[C@H](CC#C)C(=O)OC)n1)C(=O)OC 839799438 LPZKJQWJTCBSSZ-GASCZTMLSA-N 385.376 -0.329 30 20 GBED CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCCNC(=O)C1 848959365 HEDUHXOUWOJQKJ-CQSZACIVSA-N 392.503 -0.860 30 20 GBED C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 848960839 KNWOZTWZKVCIRS-STQMWFEESA-N 379.529 -0.069 30 20 GBED C#CC1(O)CN(C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)C1 890519049 CVYNAOYSXFYZCJ-UHFFFAOYSA-N 391.449 -0.641 30 20 GBED C=CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)nn1 1025041813 JWLIFISNVWBBQZ-SRABZTEZSA-N 389.456 -0.029 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(C)cc2=O)C[C@H]1O 1025711367 PBMKFXGDEZGRCN-WNOSKKOXSA-N 375.425 -0.414 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3nc(O)[nH]c3n2)C[C@H]1O 1025712481 MQVCXJPIYKAAAD-JXJLXUTGSA-N 387.396 -0.444 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccnc(-n2cncn2)c1 1110196146 VTDULZYDVZYRER-ILXRZTDVSA-N 380.412 -0.363 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCOCC1 1110453883 OKSJKQNDHYBNNC-ZACQAIPSSA-N 377.489 -0.198 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N(C)C[C@@H]1COCCO1 1118457411 MCXRUUYSANNYIW-ZIAGYGMSSA-N 388.428 -0.741 30 20 GBED Cc1cc(CN2CCN(C(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)no1 1118944539 JRSIXFPKWGKWIU-KRWDZBQOSA-N 386.456 -0.174 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCCOCCO)[C@H](c2cn(C)cn2)C1 1130680183 DYBAPFYKPUPZGA-ATLSCFEFSA-N 378.473 -0.096 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1O 1196804048 SUARXMMVQGMPBD-JJXSEGSLSA-N 389.518 -0.590 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2nn3c(=O)cc(C)nc3s2)CC1 1253749861 NDZRLIMZBLEBHY-UHFFFAOYSA-N 382.471 -0.955 30 20 GBED N#Cc1cn(CCC(=O)NC[C@@H](O)COc2cccc(F)c2)c(=O)nc1O 1294766242 ZKVICXQDSDHEAB-CYBMUJFWSA-N 376.344 -0.094 30 20 GBED N#CCNC(=O)CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1327550300 XEGWKNTVTCBVLK-UHFFFAOYSA-N 379.442 -0.640 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1=O 1328296552 WWKDPUOIDXNTSL-HOTGVXAUSA-N 378.473 -0.399 30 20 GBED C=CCn1c(Cc2nc[nH]n2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1338993432 SNHANBJBJKEXCT-UHFFFAOYSA-N 385.476 -0.083 30 20 GBED C=CCn1c(-c2c[nH]c3nccn3c2=O)nnc1N1CCN2CCOC[C@@H]2C1 1340500226 DFGCVOGLLIZCMD-ZDUSSCGKSA-N 382.428 -0.012 30 20 GBED CO[C@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)C(F)(F)F 1342184265 MNISJRZTGNLRJX-SNVBAGLBSA-N 376.339 -0.052 30 20 GBED CC(C)[C@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)N1CCN(C)CC1 1344929562 DFEAOJREOYXPKG-KRWDZBQOSA-N 378.521 -0.521 30 20 GBED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 1346719019 UGEHWPUEGITGAE-UHFFFAOYSA-N 393.469 -0.533 30 20 GBED C=C[C@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1348383218 LJVXNFOPKSYBBR-AWEZNQCLSA-N 390.440 -0.627 30 20 GBED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C(=O)N1CCS(=O)(=O)CC1 1515065967 DAIBNWPAKNHMNP-KBPBESRZSA-N 381.454 -0.399 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nn[nH]n3)n2)C1 1573285355 GVWBFKPASFACOY-OLZOCXBDSA-N 386.416 -0.357 30 20 GBED CN(C[C@H](O)CNC(=O)OC(C)(C)C)c1cnc(-c2nn[nH]n2)c(C#N)n1 1579036362 WNUCBTXFMZEOCP-SECBINFHSA-N 375.393 -0.150 30 20 GBED N#Cc1ccc(C(=O)NC[C@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)[nH]1 1581867872 ZPWWZGARZGHLEC-NSHDSACASA-N 380.372 -0.508 30 20 GBED C#CCN(C(=O)c1cnn[nH]1)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 1588348912 SKUQPJOZYXTDDM-UHFFFAOYSA-N 379.388 -0.481 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@]1(CO)CCCN(c2nccnc2-c2nn[nH]n2)C1 1588355502 IZILNYGJMILDKV-PXAZEXFGSA-N 386.416 -0.858 30 20 GBED C#CCOCCC(=O)N1CCCO[C@H](CNc2ccc(-c3nn[nH]n3)nn2)C1 1588358772 BEWGQCQQEISGND-CYBMUJFWSA-N 386.416 -0.274 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588499343 HWXQHILBBDKDLU-MEDUHNTESA-N 377.405 -0.929 30 20 GBED Cc1cc(=NC[C@H](O)CN(C)C(=O)CSCC#N)c(-c2nn[nH]n2)c[nH]1 1605728235 CJXSPGBLLSTGTB-NSHDSACASA-N 376.446 -0.520 30 20 GBED N#Cc1cnccc1N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 1606389502 PFJQVRAWIMPYJU-XHDPSFHLSA-N 379.384 -0.169 30 20 GBED N#Cc1cc(F)ccc1CS(=O)(=O)N1CCN(CCS(N)(=O)=O)CC1 1661778771 LXYVWFLQYADORZ-UHFFFAOYSA-N 390.462 -0.567 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)c1 1780333266 WGPJQJGBFZYDNA-IBGZPJMESA-N 387.440 -0.338 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1784479455 BVQPMMJGVXSJFG-AJNGGQMLSA-N 386.470 -0.951 30 20 GBED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)n1cnnn1 1784598225 QORVOEVSLNFZFM-PXAZEXFGSA-N 384.400 -0.422 30 20 GBED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1791268076 LHXGIHIMUWFYRL-DWRORGKVSA-N 393.484 -0.580 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnccn1)C2 1792484779 PXGNCAHYLLXADS-GXDSFMDGSA-N 399.451 -0.533 30 20 GBED CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792631984 JAJSMRJGUYEBDO-DABQJJPHSA-N 381.502 -0.390 30 20 GBED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@@H]2NC(=O)NC2=O)C1 1793938805 HESCKSGNHGYMRP-XFMPKHEZSA-N 376.413 -0.860 30 20 GBED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NNC(=O)C2)C3)cc1 1798922331 MSWGOODCMYDTTA-XOIINTDNSA-N 381.392 -0.363 30 20 GBED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cc1ccc3ncnn3c1)C2 1801988763 NMHOSYPDOIOUSA-QDMKHBRRSA-N 381.392 -0.002 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)Cn2cncn2)[C@@H]1c1cccnc1 1812877783 AFBZSHMMUUSNTR-RDTXWAMCSA-N 382.380 -0.533 30 20 GBED CN[C@H](CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1)C(=O)O 1826947584 DXCPWIMABPVFCK-HUUCEWRRSA-N 393.440 -0.243 30 20 GBED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1829782148 OMUAUMVKLIRKOZ-IBGZPJMESA-N 395.504 -0.082 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1830064736 OVWLEPFRVVYPHY-GOSISDBHSA-N 390.444 -0.326 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc[nH]n4)CCO3)C2)c1 1831766383 GNITYCDWJYQGKE-GOSISDBHSA-N 384.396 -0.007 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccon3)CCO2)C1 1834483841 YQISDIJLMIRZGA-KSSFIOAISA-N 377.397 -0.217 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cscn1)CCO2 1836045439 PCZZDMNWFLHGMB-QGZVFWFLSA-N 393.421 -0.770 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1836114308 GRXOYSWBYFOVTD-KRWDZBQOSA-N 376.438 -0.342 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CNC(=N)N)CC2)CC1 1836857367 NDXUMJWLLJBSGB-AWEZNQCLSA-N 393.488 -0.494 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H]2CCCS2(=O)=O)C1 1845911026 RCGQZXROZIGXNJ-LMVHVUTASA-N 395.481 -0.375 30 20 GBED Cc1noc(C)c1S(=O)(=O)NCC(=O)OCC(=O)N[C@](C)(C#N)C1CC1 19610696 QVYQQBSZBPBTCD-OAHLLOKOSA-N 384.414 -0.079 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](N3CCCC3=O)C2)c1=O 111171040 KWAYELUAHDFHFD-OAHLLOKOSA-N 389.456 -0.412 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H](O)C2)CC1 263845234 BRQRNQBEUHZPDF-INIZCTEOSA-N 392.481 -0.152 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)NC)ccc2C)C1=O 264133706 FBQUXXUYMSCURX-UHFFFAOYSA-N 394.409 -0.182 30 20 GBED CCN1CCC[C@@H]1CN/C(N)=N/CCC(=O)N1CCN(c2ncccn2)CC1 264273762 MDFUBGGIWVDKEU-MRXNPFEDSA-N 388.520 -0.096 30 20 GBED COCCNC(=O)/C(C#N)=c1/s/c(=C\c2cccc(COC)c2)c(=O)n1C 266447334 CBFCAHXYUAIGFC-MXNRCVTJSA-N 387.461 -0.141 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)N1CCOCC1 272045422 SAQOOOWTYGXSSK-GFCCVEGCSA-N 380.426 -0.800 30 20 GBED C[C@H](O)CN1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 297608224 DJHZHZWXQFDQKE-PKOBYXMFSA-N 399.495 -0.252 30 20 GBED O=C([C@H]1CC[C@@H](/C(O)=N/CCN2CCCS2(=O)=O)O1)N1CCOCC1 329189502 CBZZUVDEBHANTP-QWHCGFSZSA-N 375.447 -0.615 30 20 GBED CO[C@@H]1C[C@@H](/N=C(/O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1(C)C 329796975 FGEXLAWCPMOHHN-VXGBXAGGSA-N 380.449 -0.324 30 20 GBED CC(=O)N1CCN(C(=O)CC/N=C(/O)N2CCN(C3CCOCC3)CC2)CC1 329998261 RZXAFXJXJMBFGB-UHFFFAOYSA-N 395.504 -0.222 30 20 GBED CN1CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(CC#N)C2CC2)CC1=O 349460619 WAMKKUQROJDFPW-UHFFFAOYSA-N 398.466 -0.217 30 20 GBED CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncncc1OC 349463384 UUNYTQXEKSPDIJ-UHFFFAOYSA-N 376.460 -0.098 30 20 GBED CN(C1CC(O)C1)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 349490874 GYTSITMKPGLHLC-CPCZMJQVSA-N 397.544 -0.568 30 20 GBED CC(=O)N1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)[C@H](C)C1 349496222 AXMFYEDCDMXJHU-GFCCVEGCSA-N 380.492 -0.956 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](O)C1 349535430 VXBYAHGMHPVQEL-RYUDHWBXSA-N 383.517 -0.956 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCO[C@]2(CCSC2)C1 349549820 GTTZSPJGFPKKNX-QWHCGFSZSA-N 397.544 -0.206 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)N(C)C(C)(C)C#N)C[C@@H]1O 349600321 LLFHRSRAIPSKQK-STQMWFEESA-N 381.520 -0.027 30 20 GBED CC1(C)CN(S(=O)(=O)CCCCS(=O)(=O)NCC#N)[C@@H]2COC[C@@H]21 349607172 LHTRWPVDASPKHK-QWHCGFSZSA-N 379.504 -0.104 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2NCCCC2(C)C)CC1 420167742 PRJTTWFRZJQXNV-HNNXBMFYSA-N 379.505 -0.673 30 20 GBED CC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 422391366 UZHGPUKMSCHUKA-WBVHZDCISA-N 397.435 -0.093 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@]3(CCCOC3)C2)CC1 459887333 QPMPDWRCHVNONY-IBGZPJMESA-N 378.473 -0.538 30 20 GBED CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 459910794 UHVAQBYLZCDYPV-LBPRGKRZSA-N 385.346 -0.017 30 20 GBED Cc1onc(CC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1C#N 498562932 XIWALERWJJWCPQ-UHFFFAOYSA-N 396.473 -0.966 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)NCCCCS(N)(=O)=O)c1 504267759 XMEPEBBQBCYRDX-UHFFFAOYSA-N 375.472 -0.051 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN([C@@H](C)C(=O)NCCCOC)CC1 507715161 DNEWTKIRVMJTBE-GJZGRUSLSA-N 383.493 -0.455 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN(CCO)CCN2CCOCC2)CC1 512411255 WZIAOCPZENOJKH-SFHVURJKSA-N 381.521 -0.695 30 20 GBED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cnn(CC(N)=O)c1 516416992 HLJYJCKTBYTVBJ-UHFFFAOYSA-N 397.439 -0.231 30 20 GBED CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 538103236 VXNYTLOBUBCYET-LLVKDONJSA-N 382.446 -0.402 30 20 GBED C[C@@H](Cn1cncn1)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 565228772 LRXNPJJWHSRQJV-NSHDSACASA-N 384.443 -0.553 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)NCC2(O)CCC2)c1 565903902 NMYGPXOXHMDWIO-UHFFFAOYSA-N 398.466 -0.082 30 20 GBED CC(=O)NCCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)C(=O)O 568762135 YACLOIOHMQJFJZ-NSHDSACASA-N 396.425 -0.726 30 20 GBED COC(=O)CCN1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)[C@H](C)C1 588123694 GLHCMGQFDALMSX-CQSZACIVSA-N 379.461 -0.814 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 590981580 PXRORVRURQXJDN-ZIAGYGMSSA-N 387.444 -0.476 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CCN([C@H]4CCOC4)CC3)CC2)c1 595127288 JEGFGOMKQSVVRC-KRWDZBQOSA-N 398.467 -0.465 30 20 GBED CN(C)CCN(CC(=O)N(C)C)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 598771626 YTCBTFKVFPOPKT-UHFFFAOYSA-N 395.485 -0.685 30 20 GBED C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 612268530 RMISEQVOZIGLSV-SFHVURJKSA-N 388.428 -0.167 30 20 GBED O=C(Cn1c(O)nc2ccccc2c1=O)NCCN/C(O)=C1/N=CC=CC1=O 731861493 CUTRZKZEJFQLIZ-NXVVXOECSA-N 383.364 -0.255 30 20 GBED COC(=O)CN(CC#N)C(=O)C1CCC(C(=O)N(CC#N)CC(=O)O)CC1 737606135 VVXFWGQRWNEYRZ-UHFFFAOYSA-N 378.385 -0.245 30 20 GBED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C#N)o2)c1=O 758054428 YRSUDPUQMOEOEZ-LBPRGKRZSA-N 396.428 -0.338 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1n[nH]c(CC(=O)O)n1 827755456 QOHAZKSYDMVOIR-MRVPVSSYSA-N 378.370 -0.391 30 20 GBED C#CC[C@@H](CCOC)NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 859027364 BPONHHXCUFRAFL-HNNXBMFYSA-N 380.445 -0.873 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 906732410 VGKKWISVKVYNPN-VYDXJSESSA-N 399.513 -0.585 30 20 GBED N#Cc1ccc(NCCNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)nc1 917880159 RPTASXMWWZVZIW-UHFFFAOYSA-N 381.439 -0.009 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)c3cnn(CC)n3)C[C@@H]21 960979375 ZQVSDWKNCZLZKG-SYAUCNOPSA-N 375.429 -0.059 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@@H]2O)CC1 966007122 OAJJRPHMBRDYLI-AHCXZYCDSA-N 385.468 -0.454 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(CC(=O)N3CCOCC3)C[C@@H]21 1083085198 FIUKISVHBOOYBK-VSZNYVQBSA-N 393.484 -0.262 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@@H]1CCC(=O)N1 1109830367 XBEZZANXPRBGOF-CRWXNKLISA-N 377.445 -0.612 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1C(F)(F)F 1112166244 KYJNRNVSJOOMEM-YVECIDJPSA-N 388.390 -0.384 30 20 GBED CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3cc(C)n(CCC#N)n3)CCN2C1=O 1116438792 PBMKRBJUZIJLFQ-LBPRGKRZSA-N 387.400 -0.461 30 20 GBED N#Cc1ccc(S(=O)(=O)CCN2CCS(=O)(=O)[C@@H]3COCC[C@H]32)nc1 1195002959 YFPGPRZXTCRBDQ-ZIAGYGMSSA-N 385.467 -0.385 30 20 GBED Cn1cc(N2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2=O)cn1 1252629564 RKTQNYCBHBKRJT-NXVVXOECSA-N 387.400 -0.695 30 20 GBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 1261486420 XNRBDQMSBLRLFU-ZIAGYGMSSA-N 387.392 -0.470 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ncccc2F)CC1 1323779573 GSZRMDNKSAOCHV-UHFFFAOYSA-N 384.433 -0.414 30 20 GBED COCCN1CCN(C(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)CC1=O 1325831275 PMUMUIQJJRECEW-UHFFFAOYSA-N 399.451 -0.217 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)Nc1nnn(Cc2noc(C)n2)c1C 1327806095 ORGYVMCLGGXJHE-UHFFFAOYSA-N 375.389 -0.237 30 20 GBED CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)N2CCC(C)(C#N)CC2)CC1 1328860538 INYJUEOBTCRFBV-UHFFFAOYSA-N 377.445 -0.664 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CC1 1332377109 MXTLZKTVSJJLHL-OAHLLOKOSA-N 378.473 -0.661 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 1334867933 NUYUGIGEBYOYAV-UHFFFAOYSA-N 375.385 -0.960 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CCO1 1342137998 HYXMPVLYQCQFFC-NSHDSACASA-N 394.400 -0.882 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCSC2(CCOCC2)C1 1343310174 FYJBAAQECKNLIG-UHFFFAOYSA-N 376.500 -0.172 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@@]2(C)C1 1573286050 SLHFGZQDCQAIBN-JCGVRSQUSA-N 382.428 -0.020 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[nH]n2)nn1 1588351210 JFECGZVMNLGAKV-HIFRSBDPSA-N 381.444 -0.161 30 20 GBED C#CCO[C@@H](C)C(=O)N(CCO)CCNc1ncc(-c2nn[nH]n2)cc1F 1588355234 DSKVTNMTWUKHMV-NSHDSACASA-N 377.380 -0.328 30 20 GBED C=C[C@@H](C(=O)NC[C@H](O)CN=c1cc[nH]c(-c2nn[nH]n2)n1)c1ccccc1 1588467686 MTSJQRNVILMBBF-ZIAGYGMSSA-N 380.412 -0.063 30 20 GBED C=CCCOCC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588616479 GZCCQFMOASLPOK-QGZVFWFLSA-N 389.416 -0.519 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H](C(=O)O)C2)cc1 1588843867 JXPYQZIWSAHDAN-OCCSQVGLSA-N 375.381 -0.165 30 20 GBED N#Cc1ccc(C(=O)NC[C@H]2[C@@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]23)[nH]1 1592690667 QYLCYOYMBTYOIU-CNDDSTCGSA-N 376.384 -0.031 30 20 GBED C=CCCO[C@H](C)C(=O)NC[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCO1 1602841468 YGQRTMYOPPXRLS-CHWSQXEVSA-N 388.432 -0.041 30 20 GBED CC#CC[C@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1602889917 OZGNOFRSPYKTJM-WCQYABFASA-N 392.441 -0.576 30 20 GBED CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)C#N 1617392967 ODXHWSXTKPIVOB-NEPJUHHUSA-N 383.478 -0.236 30 20 GBED C[C@H]1COCCN1C1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1628856969 JSKUULOAMOGDKW-ZDUSSCGKSA-N 375.429 -0.078 30 20 GBED Cn1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)n1 1767532091 LPBSGTZBGWEMSY-UHFFFAOYSA-N 378.400 -0.285 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NNC(=O)C3)C2)c1 1779307391 MTPPGEPDBQIKDY-DNVCBOLYSA-N 398.423 -0.110 30 20 GBED CC(C)CNC(=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782009997 DEAGTHWAFUFQNV-AUUYWEPGSA-N 393.440 -0.640 30 20 GBED C=CC[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1783113572 DAOZKNYSSPZTRT-FZKQIMNGSA-N 381.429 -0.429 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1783562674 FDPPJHHFVUVQAF-GOSISDBHSA-N 390.348 -0.665 30 20 GBED CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1788612698 UXZNZMSAFQCFDE-JYJNAYRXSA-N 392.525 -0.137 30 20 GBED CS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1806770995 DFJCMBLDBZIYFN-CXAGYDPISA-N 393.421 -0.780 30 20 GBED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)CC1 1830203945 NHQRVVOPOAHWFD-HRCADAONSA-N 377.441 -0.583 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1831420385 XXHXUVDMJPXTGA-CLCXKQKWSA-N 397.472 -0.455 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833224977 LIXVBDUWJOBSOU-KSSFIOAISA-N 393.444 -0.524 30 20 GBED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1 1835703676 WUPOBAITPZVTLW-NSHDSACASA-N 381.502 -0.248 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4CC(=O)C4)C3)C2)c1 1838742983 VOKKOSPSWJENNG-LJQANCHMSA-N 386.408 -0.065 30 20 GBED C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840025086 WCJNSEBQDJHPIC-XQGPJPATSA-N 382.461 -0.705 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1840173391 UZMFEJXPWPLUQZ-PXNSSMCTSA-N 388.468 -0.016 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)Cl)CCO2 1840286755 OURBZEDZMFQURN-CYBMUJFWSA-N 380.731 -0.638 30 20 GBED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840435739 MOVQIWAGCSCWAJ-LJQANCHMSA-N 389.456 -0.050 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC(N)=O)C2)C1 1840842063 KZHNEJZWVYKQBO-KSSFIOAISA-N 380.445 -0.697 30 20 GBED N#CC1(C(=O)N2CCCC23CN(C(=O)CS(=O)(=O)N2CCCC2)C3)CC1 1842807751 NFPUNPYYDSAHJV-UHFFFAOYSA-N 380.470 -0.081 30 20 GBED COC(=O)CN(CC(=O)OC)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 268807968 IFJYVUZZYGULQX-LLVKDONJSA-N 397.409 -0.600 30 20 GBED C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 288731081 CFWSASQDFDORKI-GDBMZVCRSA-N 387.440 -0.088 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CN(C)C[C@@H]2C1 349496119 PEFMXEKMMZSOHH-MELADBBJSA-N 378.520 -0.627 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)C(=O)OC3)CC1 371831576 YVWRMMWURNWTOZ-UHFFFAOYSA-N 391.449 -0.197 30 20 GBED N#Cc1cc(NC(=O)C(=O)NCC(=O)NCCO)ccc1OCC(F)(F)F 439262429 YSGRLCBZXHDDPR-UHFFFAOYSA-N 388.302 -0.337 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1=O 440264718 JCFDVQPTHHSFRP-ZDUSSCGKSA-N 394.453 -0.174 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1C[C@@H](O)COc1ccc(C#N)cc1 497574749 KZKBOLACALQRLY-WBVHZDCISA-N 391.424 -0.322 30 20 GBED N#Cc1cccnc1N1CCN(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)CC1 509840033 OWXJGUIXUYYAMR-CQSZACIVSA-N 379.442 -0.402 30 20 GBED N#CCNC(=O)CNC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 511908176 VYTXUQOIHZDGML-UHFFFAOYSA-N 392.847 -0.072 30 20 GBED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CC[C@@H](C(N)=O)C2)c1 515432759 KHESDLZPPGOBFS-MNOVXSKESA-N 386.455 -0.579 30 20 GBED Cc1ccc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)cc1S(=O)(=O)NCC#N 518715952 OIUNUDUKWNLTSZ-CYBMUJFWSA-N 390.421 -0.183 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN([C@H]3CCNC3)CC2)cc1 566252164 LYDKNJJJQGCDNG-HNNXBMFYSA-N 377.470 -0.657 30 20 GBED CC(=O)NC[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 584500512 LBDPQJPHJPGJKG-AWEZNQCLSA-N 380.426 -0.800 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccnc(OCCO)c1 595005890 FPAIMMZDDXXVJJ-UHFFFAOYSA-N 391.428 -0.534 30 20 GBED Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC[C@](C)(C#N)C3)cnc2n(C)c1=O 612271778 OVLFVFZTPIXJLD-GOSISDBHSA-N 384.396 -0.277 30 20 GBED N#C[C@H](C(=O)c1cn(Cc2ccccc2)nn1)C(=O)N1CCS(=O)(=O)CC1 732911111 XBJRVBLBNAHUHF-CQSZACIVSA-N 387.421 -0.094 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H]2CCCN(c3ccn(C)n3)C2=O)C1=O 744918012 CNZDYDCYULRMHT-NSHDSACASA-N 389.368 -0.565 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cnn(CCOC)c2)c1=O 758054601 LTTWYYWEIQKUKI-UHFFFAOYSA-N 397.460 -0.809 30 20 GBED C=CCN1CC(=O)N(CCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1=O 761061210 KIJGPWJHUIRXDJ-UHFFFAOYSA-N 393.469 -0.016 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)c1cc[nH]n1 772231467 UBDVQSVJBBUBKS-CABCVRRESA-N 393.444 -0.249 30 20 GBED C=CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccncc1 805811644 SNYBHTVYXQSNIX-MRXNPFEDSA-N 399.451 -0.236 30 20 GBED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NS(=O)(=O)CCC#N 835409380 VFLJBNWOWQQCBH-NSHDSACASA-N 388.446 -0.138 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2C[C@H](C(=O)OCC)C3(COC3)C2)C1=O 839366865 MFUSVGJYTXDSIR-ZIAGYGMSSA-N 393.440 -0.730 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 1021997814 DLZRODFZMCXOOO-HZMVEIRTSA-N 390.484 -0.589 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1O 1023940031 WXADMPCTXXWXOS-XZDPQHSOSA-N 390.440 -0.052 30 20 GBED CCS(=O)(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N 1092868834 FZPPRCXQMZMFKG-DYEKYZERSA-N 378.458 -0.144 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CO[C@@H]1CCOC1 1110560123 ZAMHVKXLSRXZIF-TUVASFSCSA-N 380.445 -0.475 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)n(CCC#N)n1 1340841866 FKYXXXMBQDDPQK-UHFFFAOYSA-N 396.473 -0.074 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2nc(C)cs2)CC1 1343312854 SVAVZCYPTLPZSA-UHFFFAOYSA-N 386.499 -0.183 30 20 GBED C=C[C@@](C)(O)CC(=O)N1CCCO[C@H](CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1573309966 QIWJVIHXZIWZMM-SJKOYZFVSA-N 388.432 -0.565 30 20 GBED C#CCN1CCC[C@H]1C(=O)NCCCNC(=O)[C@@H]1CCCN1Cc1cnn[nH]1 1574986219 WAJPDYKTGDHYDI-IRXDYDNUSA-N 387.488 -0.511 30 20 GBED C#CCO[C@@H](C)C(=O)N(CCC)[C@H]1CCN(CC(=O)NCc2cnn[nH]2)C1 1575004859 OFJVPBLLAJLNPF-HOCLYGCPSA-N 376.461 -0.228 30 20 GBED Cn1nncc1C1(O)CN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 1581848554 XDGFZZPTYFLWKG-ZDUSSCGKSA-N 379.384 -0.593 30 20 GBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccnc1-c1nn[nH]n1 1588628457 ZULGUOAANUNJQB-JTQLQIEISA-N 384.443 -0.375 30 20 GBED N#C[C@H]1C(CN2CCN(CC(N)=O)C(=O)C2)=CC(=O)n2c1nc1ccccc12 1646112662 NEWUTGORMRNIBJ-ZDUSSCGKSA-N 378.392 -0.147 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779124422 JFFQRKXZHIRPND-LJQANCHMSA-N 388.424 -0.044 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c1 1780329778 BPRSVYLKPDQDMF-AUUYWEPGSA-N 385.424 -0.144 30 20 GBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1 1788656263 XGDOGMFIEKAZAB-IUVQAAGXSA-N 379.457 -0.970 30 20 GBED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)S)C[C@@H]21)N1CCN(C)CC1 1789801622 PGUOABMNTHAIIO-QEOTZNIISA-N 398.573 -0.080 30 20 GBED C=CC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)C[C@@H]21 1790831392 YYPZCOCIBQLKNT-AJNGGQMLSA-N 395.456 -0.279 30 20 GBED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1792635239 VFHXKBSAYWUVJY-DRXBFXEBSA-N 389.412 -0.300 30 20 GBED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1793313004 ZWQPRPYVIAODJF-YIYPIFLZSA-N 398.485 -0.792 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1NC(=O)NC1=O 1794209104 DUECVZNZSVWSDP-XVIXHAIJSA-N 392.456 -0.204 30 20 GBED C#CC(=O)NC[C@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1812529021 IKXISVPPDOMFMN-DYVFJYSZSA-N 378.392 -0.077 30 20 GBED Cc1nn[nH]c1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812879053 OXPISOBOUBESQN-DYVFJYSZSA-N 382.380 -0.084 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836149978 ASWLAQGQJOOOMW-WMLDXEAASA-N 378.433 -0.658 30 20 GBED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)N1C[C@H]2C[C@@H]2C1 1837283981 YHIYFLYKAYDTDY-NNFUDEMPSA-N 376.457 -0.303 30 20 GBED C#CCNC(=O)CN1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 264288974 JUENPXLJQOOEBH-UHFFFAOYSA-N 381.414 -0.886 30 20 GBED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN3CCOC[C@@H]3C#N)C2=O)cc1 266870631 PUQGHZMSHJZZFU-SCLBCKFNSA-N 387.396 -0.282 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 268720049 IEIQICNREMGQRG-ABAIWWIYSA-N 385.467 -0.082 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN2C(=O)NC[C@@H]2C1 268907566 SDNJOQJOPOZWLQ-WCQYABFASA-N 377.426 -0.539 30 20 GBED C=C[C@H](CO)NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 290581213 LNVYBJXPMMVRLU-CQSZACIVSA-N 384.454 -0.078 30 20 GBED CNS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 298370846 NONTVOAOLXMXPM-UHFFFAOYSA-N 385.833 -0.241 30 20 GBED O=C(C/N=C(/O)N1CCC(S(=O)(=O)N2CCCC2)CC1)N1CCOCC1 328675458 QUQPQXSAVMRGSQ-UHFFFAOYSA-N 388.490 -0.351 30 20 GBED C[C@H](C/N=C(/O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCN(C)CC1 329275023 BKCBYQNQSDBOLO-GFCCVEGCSA-N 377.449 -0.974 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(/C(O)=N/[C@H]1CCOC3(CCC3)C1)C2 329854306 WHKWFZNGZFQBGX-ZDUSSCGKSA-N 392.460 -0.036 30 20 GBED CNC(=O)CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C#N 349474416 UZSDRGKKCRGUPK-NSHDSACASA-N 388.471 -0.414 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1CCN(CC#N)CC1 349520219 JGBPKNYQBLPANI-UHFFFAOYSA-N 391.519 -0.589 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1CCN2C(=O)CC[C@@H]2C1 349586933 GFCMKNVCNFGEPM-CYBMUJFWSA-N 392.503 -0.812 30 20 GBED CN(C)C(=O)CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 370446676 GJRQWJVOZPNBKC-ZDUSSCGKSA-N 375.404 -0.013 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCNS(=O)(=O)Cc1ccon1 409475215 HOMJLHJTDKRTIM-NSHDSACASA-N 379.464 -0.590 30 20 GBED CCN(CCC#N)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 410388328 QCXLLOXQUQOMBS-CQSZACIVSA-N 396.535 -0.161 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)C(=O)OCC)cc1 441348209 QKBUXERGKMKNKK-SFHVURJKSA-N 377.397 -0.029 30 20 GBED COC(=O)Cn1cc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)nn1 441535976 RUSMTCRMUCEKSY-LBPRGKRZSA-N 399.415 -0.467 30 20 GBED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@@H]2CO)n1 442264116 HQTDAUNUWFEMKW-CHWSQXEVSA-N 389.799 0.290 30 20 GBED CN(CC(=O)N[C@H](CO)c1cnn(C)c1)S(=O)(=O)c1ccc(C#N)cc1 481845787 JAZXFRUOUXNWTL-OAHLLOKOSA-N 377.426 -0.238 30 20 GBED CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)NCC(=O)NCC#N)cc1 561501784 PPHJOVGCEXEPJQ-UHFFFAOYSA-N 381.458 -0.047 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NC[C@]2(O)CCOC2)cc1 577865855 QFFZKBMFGUQZMC-SMDDNHRTSA-N 389.455 -0.693 30 20 GBED CN(c1ccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1)S(C)(=O)=O 619709742 BFGNXJICQPRFBM-CQSZACIVSA-N 388.471 -0.359 30 20 GBED CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O 731851341 SCNMOBYIJYGSNQ-CLMBFONXSA-N 386.430 -0.625 30 20 GBED CC(=O)NCCNC(=O)CCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 757575977 JEPXDUPDHFOUOH-KGLIPLIRSA-N 395.460 -0.106 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 774606889 IMVSILUJGSIJKC-GOSISDBHSA-N 388.516 -0.954 30 20 GBED N#CCOc1cccc(CC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 787998197 JECWPCWCNMICNF-IRXDYDNUSA-N 393.465 -0.566 30 20 GBED C#CCN(c1nnc(-c2cnn(C)c2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 812143144 NRPJVBUDLYOAKX-CQSZACIVSA-N 378.458 -0.048 30 20 GBED C#CC[C@H](NC(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1)C(=O)OC 837928534 FHYNMSAUOHHAMP-AWEZNQCLSA-N 396.421 -0.177 30 20 GBED CCn1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(C)C)c2=O)n1 839208349 AKEUFELESUJWBN-UHFFFAOYSA-N 386.481 -0.041 30 20 GBED C#CC[C@H]1NC(=O)N(CCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1=O 842234470 AHUXATJMFGYOSU-CQSZACIVSA-N 391.453 -0.523 30 20 GBED COC(=O)[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H](C)O1 846486712 CPYNWTONHNILAA-AAEUAGOBSA-N 395.437 -0.096 30 20 GBED O=C(N[C@H]1CCCN(O)C1=O)c1cncc(C(=O)N[C@@H]2CCCN(O)C2=O)c1 848132042 HANAAEGLMBXDLB-BETUJISGSA-N 391.384 -0.698 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH]nc1C)[C@H]1CCCO1 848962976 FKAJOHVKSLBKTR-TZMCWYRMSA-N 390.487 -0.050 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCCC12OCCO2 848964330 ORYFZDVRGGFCNM-GFCCVEGCSA-N 381.476 -0.575 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cnn(CC3CCC3)c2)CC1 896951832 LZDHAYGOXLQSKC-UHFFFAOYSA-N 394.501 -0.022 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 958905192 UARUFANQTSWXCQ-ZOCZZNGCSA-N 387.480 -0.463 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)C1 965499452 XERBANDQBGEIDL-WCXIOVBPSA-N 393.484 -0.264 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 970676496 GXHNSBAJJGVMMN-RABLLNBGSA-N 376.413 -0.604 30 20 GBED C=CCCn1cc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]3C2)nn1 986686620 UHMYDQFLQXFUOZ-BARDWOONSA-N 386.456 -0.104 30 20 GBED N#CCOc1ccc(CN2C[C@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)cc1 1083775134 KQHKTODCRVOZSN-LTIDMASMSA-N 388.424 -0.717 30 20 GBED C#CCNC(=O)[C@@H](C)N1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)nn2)C1 1107187261 VCSWRCYARZRFSL-XTENKEOPSA-N 398.467 -0.688 30 20 GBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCCCN1CCCC1=O 1109090554 XMNMVNSQYDEXHT-FZKCQIBNSA-N 375.473 -0.004 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C[C@@H](O)COCCOC)nn1 1111112546 SMGHPFCMCSNRBB-ANQUJSFKSA-N 379.461 -0.177 30 20 GBED N#CCOc1ccc(NC(=O)C(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)cc1 1116699885 UGPAEXZNQOZQFJ-CYBMUJFWSA-N 381.410 -0.465 30 20 GBED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NCCc1ccc(C#N)cc1 1118706522 BTSKKNVPGQVMKL-OAHLLOKOSA-N 378.454 -0.243 30 20 GBED C=CCn1c(COCC(F)(F)F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1121684280 HZSKWQPPZWMTCL-JTQLQIEISA-N 388.350 -0.310 30 20 GBED Cc1cc(C#N)nc(NC[C@H](O)CN(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)n1 1124919169 GKCNFKVSYXZVPR-QCEMKRCNSA-N 375.429 -0.061 30 20 GBED CS(=O)(=O)[C@@H]1CCCCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 1322091182 ZUAAIUQVOJTNSZ-CQSZACIVSA-N 393.469 -0.093 30 20 GBED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCCCn2cncn2)CC1 1330994036 YYKBNMUYVQAVET-UHFFFAOYSA-N 398.427 -0.130 30 20 GBED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 1337108461 GTKKUATVGXJEAP-LBPRGKRZSA-N 382.446 -0.416 30 20 GBED C=CCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@]1(O)CCSC1 1338811075 DSRMRNZDMACUCF-KRWDZBQOSA-N 380.518 -0.001 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 1342004805 WOQDSNPDWFOTNO-UHFFFAOYSA-N 398.463 -0.262 30 20 GBED CCN(CC)[C@H]1CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1342098969 OTBPVKJELDYUMW-ZGTROFRASA-N 377.445 -0.428 30 20 GBED CCO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@@H]1OC 1347233450 GUUDTLMFUKVUFT-INMHGKMJSA-N 387.440 -0.090 30 20 GBED N#CC1CCN(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccccc2)CC1 1354511871 YIBLPFZRSPORSL-UHFFFAOYSA-N 378.454 -0.016 30 20 GBED N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCNC(=O)C2CC2)CCO1 1521137588 QDXVWRZQGFIZJR-AWEZNQCLSA-N 387.444 -0.345 30 20 GBED C#CCN(CC(=O)O)CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 1573320559 MDJZNRFZFRSHFC-IBGZPJMESA-N 386.408 -0.019 30 20 GBED C=CCC1(C(=O)NC[C@@H](CO)N=c2cc[nH]c(-c3nn[nH]n3)n2)CCOCC1 1573326102 KYAUNPGWBSBMSN-LBPRGKRZSA-N 388.432 -0.660 30 20 GBED C=CCNC(=O)CN(C)[C@H](C)CNC(=O)C1CCN(Cc2cnn[nH]2)CC1 1575103739 HZAVSTJDNKCCJT-CQSZACIVSA-N 377.493 -0.245 30 20 GBED CC#CCN(Cc1cnn[nH]1)c1nnc(C)n1C[C@]1(O)CCS(=O)(=O)C1 1575122232 UHTPVMLARHQGDU-OAHLLOKOSA-N 379.446 -0.716 30 20 GBED Cc1cc(C#N)nc(N2CC[C@@](O)(CNC(=O)CCOCc3cnn[nH]3)C2)n1 1577256737 YZAZJXFCEGUKEW-QGZVFWFLSA-N 386.416 -0.561 30 20 GBED N#Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)nc3)C[C@H]2O)[nH]1 1581867886 AEAHKSVUHJJXLD-SWLSCSKDSA-N 379.384 -0.169 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[nH]n3)cn2)C1 1588350981 BTUOIYUMHJVFNN-HIFRSBDPSA-N 381.444 -0.161 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@H]2OC)nn1 1588713922 ZBBFINVFACROCD-DGCLKSJQSA-N 397.403 -0.932 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(c2cnccc2-c2nn[nH]n2)CC1 1589787636 NHLQNRBLJJYDAH-GFCCVEGCSA-N 391.461 -0.138 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)NC3CCN(CC(=O)O)CC3)CC2)c1C#N 1605433393 HRDYXJNRLRFPER-UHFFFAOYSA-N 389.460 -0.019 30 20 GBED CS(=O)(=O)c1ccc(CNC(=O)Cn2cnc(C#N)c2-c2nn[nH]n2)cc1 1609368070 NNKVXBOVCFIRGJ-UHFFFAOYSA-N 386.397 -0.345 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O 1609494162 YGGUQDSYISJZOF-UGSOOPFHSA-N 394.395 -0.250 30 20 GBED N#Cc1cn(CCC(=O)NC2CCN(C[C@H]3CCCO3)CC2)c(=O)nc1O 1628306967 LXNSYYLQMUKTOQ-OAHLLOKOSA-N 375.429 -0.030 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(Cl)nn3)C2)C1 1779432553 IDXJLRICFWRBDU-MRXNPFEDSA-N 378.772 -0.339 30 20 GBED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2 1782193877 ARCNMQLRLQYTCM-FZKQIMNGSA-N 378.429 -0.372 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783681702 IEYLVRJHQFHQQV-XUXIUFHCSA-N 379.461 -0.037 30 20 GBED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)c4nccnc4C(N)=O)CCO3)C2)CCC1 1785366351 DOFHUEKMAWALFJ-LJQANCHMSA-N 398.423 -0.287 30 20 GBED CC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)ON=C(C)C)C[C@@H]21 1790846775 CBUIAAXHNFTTJL-TUUVXOQKSA-N 382.461 -0.097 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1O)C2 1793358476 HMSXQTKAERWXTE-XPCVCDNBSA-N 376.413 -0.024 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 1794592338 OXQIOJURQBULSW-FQUUOJAGSA-N 378.433 -0.181 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](S)C(C)C)C2 1796316303 CZBKOWFVEBTFRS-XVIXHAIJSA-N 386.518 -0.023 30 20 GBED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2)[C@H]1SC(=N)NC1=O 1796423821 WLPJUAATWLVOLJ-VKISENBKSA-N 379.442 -0.708 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1812880795 MVTWQOLUIPSBKM-PXAZEXFGSA-N 383.364 -0.949 30 20 GBED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1829865068 IQNLUCXFIIFFKU-IFIJOSMWSA-N 387.502 -0.324 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1831420391 XXHXUVDMJPXTGA-SPYBWZPUSA-N 397.472 -0.455 30 20 GBED CCOCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1834985710 XPZGILQMOGPHAA-GUBFPNNNSA-N 396.488 -0.049 30 20 GBED C[C@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835101542 GNEMLSUJWCXMBT-LAUBAEHRSA-N 399.447 -0.371 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)[nH]n3)CCO2)C1 1838655899 IHNBKFGXNJZHTO-KXBFYZLASA-N 390.440 -0.174 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4nccn4)CCO3)C2)c1 1839236989 QCXHKUBARWVQDP-GOSISDBHSA-N 399.411 -0.752 30 20 GBED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840159046 VSWYJDPDOBNKQZ-OAJDRMGVSA-N 386.470 -0.120 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](CC)NC(C)=O)C2 1841052964 JQHVORFGMNLFAP-ZPIQOJFGSA-N 376.457 -0.037 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CCC(N)=O)C2 1842919788 ZLJXSQSXIUEKJX-ZDUSSCGKSA-N 378.477 -0.936 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCN(C)C(C)=O 1847262734 BJOWMBFOABACDH-XFCCUVRLSA-N 376.457 -0.085 30 20 GBED CC(C)N1C(=O)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1=O 268915742 PCLRCPIJTSFVGX-FZMZJTMJSA-N 392.437 -0.123 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 282251430 FUOIPDYBXGSNBX-QWRGUYRKSA-N 381.501 -0.049 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)C1=O 288024108 CHRAWIWAJBQYKZ-JKSUJKDBSA-N 380.489 -0.151 30 20 GBED C[S@@](=O)C1(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 290114269 FSRUKOFVOSLFLP-AREMUKBSSA-N 375.454 -0.371 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@]3(CCOC3)C2)CC1 349509779 YKCIJKZTKAYJAX-CYBMUJFWSA-N 377.488 -0.206 30 20 GBED CCN1CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N)CC1 349531887 NKWCJMGSGFGJHB-AWEZNQCLSA-N 380.536 -0.092 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)NC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 376347098 CHGRCIITCYVTDA-SNVBAGLBSA-N 375.451 -0.613 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(S(C)(=O)=O)ccc2F)C1=O 499526676 OOKBTQYUHFZFGQ-UHFFFAOYSA-N 397.384 -0.178 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C 542933567 ONDMMMCFULODMQ-UHFFFAOYSA-N 394.434 -0.318 30 20 GBED COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 553480475 UYKADEAWKMRGJX-ZDUSSCGKSA-N 384.458 -0.001 30 20 GBED CC(C)(C)NS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1 570291110 CWAWMSSAIIJFQO-UHFFFAOYSA-N 388.471 -0.319 30 20 GBED C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[C@@](O)(CC#N)C1 592149433 PCMWDVKSELALMC-DYVFJYSZSA-N 380.470 -0.268 30 20 GBED COCCN(C(=O)Cn1c(OC)c(C#N)ccc1=O)[C@H]1CCS(=O)(=O)C1 596282772 MWKJCQFFNDABAG-ZDUSSCGKSA-N 383.426 -0.609 30 20 GBED CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 603908984 MKRSWWIFSIBBNZ-UHFFFAOYSA-N 395.489 -0.197 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 646954197 VENGOHFYRNWOMM-AWEZNQCLSA-N 388.424 -0.015 30 20 GBED C[C@@H](CN1CCOCC1)C(=O)NCC#CCNC(=O)[C@@H](C)CN1CCOCC1 681340853 QEJDNENJYIWQIF-ROUUACIJSA-N 394.516 -0.841 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1 725956189 MRQRMBLSOOVDPM-ZIAGYGMSSA-N 393.371 -0.044 30 20 GBED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(CC)c2)c1=O 758051852 YSAUZRHUSXSLBA-UHFFFAOYSA-N 381.461 -0.115 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCNS(C)(=O)=O)[C@H](C#N)C1 758325013 MOMKIGHKLDCWEG-GHMZBOCLSA-N 375.451 -0.406 30 20 GBED COc1ncc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1C(N)=O 762188404 UJYGAOITFDPYBT-UHFFFAOYSA-N 389.393 -0.134 30 20 GBED NS(=O)(=O)c1ccc(C=NNC(=S)NCCCN2CCOCC2)cc1 811631840 PKEIZXOGGYHQPD-UHFFFAOYSA-N 385.515 -0.146 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CCO[C@@H](C#N)C1 820444260 HZZQPHZENUDDDT-JQWIXIFHSA-N 391.413 -0.716 30 20 GBED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CN(C)NC1=O 828488669 OHBYYNMFSRFCSO-STQMWFEESA-N 393.469 -0.399 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCOCC[C@H]1C 848958936 NEYSCLMXYWYLRC-CQSZACIVSA-N 377.488 -0.394 30 20 GBED COC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cn1 850368466 BURLKSDWTBRDAX-AWEZNQCLSA-N 388.428 -0.072 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CCOC)nn2)C[C@H]1O 1023942893 TXFPLVQRHWWHDQ-XNISGKROSA-N 393.444 -0.793 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc(OC)cc(OC)n2)C[C@H]1O 1025712582 RVUDMIFQQCJLTA-LPWJVIDDSA-N 392.412 -0.614 30 20 GBED CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](c2cncn2C)C1 1131033083 GFLSZRLGPVZJSC-ANQUJSFKSA-N 388.472 -0.241 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H]1CN(C)CCN1C 1147353005 SXFUYBWQVLRQLW-GRDNDAEWSA-N 393.513 -0.024 30 20 GBED CS(=O)(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 1319043946 YIESQZMWTIXYKC-GFCCVEGCSA-N 382.446 -0.477 30 20 GBED COCCO[C@H]1CCCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1342101527 VMYKYUIFMPJILJ-ZGTROFRASA-N 394.428 -0.717 30 20 GBED C#CCN(CC#C)c1nnc([C@@H]2COCCN2)n1CCS(=O)(=O)CC1CC1 1574621813 CTHOXDVUEAITDA-INIZCTEOSA-N 391.497 -0.163 30 20 GBED CN(C[C@@H](O)CN(C)c1nccnc1-c1nn[nH]n1)C(=O)c1c[nH]c(C#N)c1 1579032025 UCQLCIGJKPYDJU-LBPRGKRZSA-N 382.388 -0.574 30 20 GBED Cc1cc(=NC[C@H](O)CN(C)C(=O)c2c[nH]c(C#N)c2)c(-c2nn[nH]n2)c[nH]1 1581014757 KWWBEULLXVOQMC-ZDUSSCGKSA-N 381.400 -0.263 30 20 GBED C=CCn1cc(C(=O)NC[C@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)C(C)C)nn1 1588713804 UTSZLAZWMCLSPC-NSHDSACASA-N 383.420 -0.277 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC(=O)O)c1 1588845430 NXPGHSHNEOAEJF-AWEZNQCLSA-N 395.437 -0.044 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 1589788419 YNQYZENIDYWEOO-GFCCVEGCSA-N 391.461 -0.138 30 20 GBED C[C@@H](NC(=O)COC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N(C)C 1589923000 FKKPIBCFSVJSPK-BXUZGUMPSA-N 399.411 -0.315 30 20 GBED C#Cc1ccc(C(=O)NC[C@H]2CN(c3cncc(-c4nn[nH]n4)n3)CCO2)nc1 1602739240 DXAKGNHFRBVAEP-ZDUSSCGKSA-N 391.395 -0.332 30 20 GBED N#CCSCC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[nH]n3)cn2)C1 1606351109 NSRQKHSMCIQJNZ-MRXNPFEDSA-N 388.457 -0.034 30 20 GBED C=C(C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1)C(F)(F)F 1783203255 WHZQPZCXAKEIDS-HNNXBMFYSA-N 389.378 -0.225 30 20 GBED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1 1785154196 CKBUHZFVAHUUDD-FQKPHLNHSA-N 392.456 -0.224 30 20 GBED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]2C1 1786644041 DTFJRGJTVWAACT-IHRRRGAJSA-N 390.527 -0.070 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(F)c3)C[C@@H]21 1791073929 CLTBHQDFLYLIQV-CQDKDKBSSA-N 375.356 -0.098 30 20 GBED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2 1801167886 BSMYJJVACPOPPU-XEMDLRDOSA-N 395.500 -0.944 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccnnc3O)sc2C1 1821101738 GSGQZMIERVWSBK-MRVPVSSYSA-N 387.377 -0.048 30 20 GBED CN(CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CC#N)[nH]n1)C(=O)C(=O)O 1821713761 WWTXROYGAPGPPI-LLVKDONJSA-N 376.373 -0.142 30 20 GBED CN1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1832056493 MECQUPXBDILZLK-PXNSSMCTSA-N 375.469 -0.050 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834167807 AJYKAWLBCOZTJX-HNAYVOBHSA-N 390.440 -0.472 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCSC(=N)N)CCO3)C2)CC1 1835647627 GOMHOXWZBGUYBJ-QGZVFWFLSA-N 395.485 -0.237 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839049786 VRTQRPAIFMXTTG-LJQANCHMSA-N 383.408 -0.639 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1840165853 MCKNYLLVQAGJOD-SWLSCSKDSA-N 394.515 -0.804 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1840173799 RVKWRRUEMNKXKA-KRWDZBQOSA-N 384.502 -0.497 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1840842814 CATWSTPUWOAKPZ-VQIMIIECSA-N 389.456 -0.216 30 20 GBED C=CCNC(=O)CNC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 272249793 LACYSHVQPJBMRO-UHFFFAOYSA-N 384.458 -0.599 30 20 GBED CCOC(=O)c1cnn(CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)c1C#N 283856254 HKEPCTPSYJQMOH-LBPRGKRZSA-N 398.441 -0.406 30 20 GBED N#Cc1ccc(NC[C@@H]2CC(C(N)=O)=NO2)nc1NC[C@H]1CC(C(N)=O)=NO1 289782868 XDYUVKKLNHOVGJ-VHSXEESVSA-N 386.372 -0.963 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N[C@@H](C(=O)OC)[C@@H](C)CC)c1=O 299504942 HKUFNWHNRLMDDJ-GXTWGEPZSA-N 394.428 -0.752 30 20 GBED CCNS(=O)(=O)[C@H]1CCN(/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)C1 329098998 CZLILWHQHDSJAI-NEPJUHHUSA-N 382.508 -0.662 30 20 GBED Cc1ccn2c(=O)c(/C(O)=N/[C@@H](C)C(=O)N3CCS(=O)(=O)CC3)cnc2c1 329257183 DWQQTXCOVQJTIQ-LBPRGKRZSA-N 392.437 -0.047 30 20 GBED C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)N2CCSC[C@H]2C#N)CO1 349579074 SQWMGBSLDIIHAK-FRRDWIJNSA-N 397.544 -0.256 30 20 GBED N#CCC1(O)CN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 377093548 RVGYCTSQGOYIKC-LLVKDONJSA-N 378.410 -0.826 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCCCN2CCN(c3ccncc3)CC2)CCO1 409595477 QENAQCJHXJBACW-KRWDZBQOSA-N 394.501 -0.348 30 20 GBED Cc1cc(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)nn1CCC#N 505026118 CZMLSUYPIDMQCC-ZDUSSCGKSA-N 396.473 -0.028 30 20 GBED COC(=O)CN(CC#N)S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 532768618 PJTSIEIVGOEIHD-UHFFFAOYSA-N 379.391 -0.116 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)n2)c(F)c1 542068808 VNHLSAMGMWNGID-ZDUSSCGKSA-N 386.343 -0.466 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCCNC(=O)[C@@H]2Cc2ccccc2)CCO1 549903163 CXHQNSKRGQGXIN-CVEARBPZSA-N 378.454 -0.111 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C)CCCN(C)C)CC2)c1C#N 562689607 AQFMHWFGBKLHOK-UHFFFAOYSA-N 375.477 -0.341 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(COC)cs2)c(=O)n1C 596168159 PQRNHJJJYLXXND-UHFFFAOYSA-N 393.490 -0.080 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3COCCN3)CC2)c(Cl)c1 599962553 RZZWODWJTDXMDS-AWEZNQCLSA-N 391.859 -0.035 30 20 GBED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2n[nH]cc2C#N)c1 610620521 LDAYLBNDEZDBLA-UHFFFAOYSA-N 376.398 -0.100 30 20 GBED O=C(CCn1ccccc1=O)NCC#CCNC(=O)CCn1ccccc1=O 680339444 GVLOIKCDLCJRBO-UHFFFAOYSA-N 382.420 -0.274 30 20 GBED C#CCNC(=O)CN1CCN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 728571172 XCQOGBOZPQGDJO-OAHLLOKOSA-N 384.436 -0.990 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)CC1 728573082 KABBINPWONWKPG-HOTGVXAUSA-N 377.489 -0.242 30 20 GBED C[C@@H](CC(=O)OCCCS(N)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 745496701 NUDJCRYQTCCAAN-JTQLQIEISA-N 389.455 -0.275 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC3(CC2)CC(C(=O)OC)=NO3)C1=O 753691528 FLMKWUQWWWIVOQ-UHFFFAOYSA-N 392.368 -0.726 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc(C(C)(C)C)nn2C)CC1 761031858 XDPQIFBXQKQNET-UHFFFAOYSA-N 396.517 -0.259 30 20 GBED Cc1cn2c(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)c(C)nc2s1 771889918 MHBUMBVAMMNJRC-UHFFFAOYSA-N 396.454 -0.278 30 20 GBED C#CCOc1ccccc1NC(=O)C(=O)N(CCO)CCN1CCOCC1 783469748 LUYDORORMGUJGF-UHFFFAOYSA-N 375.425 -0.210 30 20 GBED CCOC(=O)CON=C(C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O)c1cc[nH]n1 832832351 YRWWMBHUHOIKEJ-RWSFTLGLSA-N 377.401 -0.194 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ncccn1)[C@H]1CCCO1 848963265 OCMKHFIHLKIZEZ-QWHCGFSZSA-N 388.471 -0.291 30 20 GBED N#Cc1cc(Cl)ncc1NS(=O)(=O)CCCS(=O)(=O)NCCO 848967661 KBKKFHUHMWEGPP-UHFFFAOYSA-N 382.851 -0.350 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1O 1023957882 COAFOIGMDAPGBE-GBOPCIDUSA-N 376.413 -0.937 30 20 GBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1C 1106316344 QMGQHJYLCPWSNJ-GBOPCIDUSA-N 391.390 -0.234 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nsc(N(C)C)n1 1109167786 JMYFHKXPVHSOBF-AGIUHOORSA-N 376.486 -0.035 30 20 GBED C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCC[C@H](C(N)=O)C1 1110385408 ZCDRZGBITQAUCS-JJXSEGSLSA-N 378.473 -0.366 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1117390542 CBUJVMKTUZEWCK-UHFFFAOYSA-N 379.438 -0.715 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2)CC1 1117449830 OOSDABZEHDMICY-HNNXBMFYSA-N 386.456 -0.897 30 20 GBED C[C@@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ncnn1C 1117608844 GPDPUDHOYFPUNF-DOMZBBRYSA-N 395.423 -0.219 30 20 GBED C=CCN(C(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1)[C@H](C)COC 1118531256 LQYJIRJUFZSPSU-MRXNPFEDSA-N 380.489 -0.198 30 20 GBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1c1cn(C)cn1 1130609962 DAUDGOLREJLZRW-KMCQBPLKSA-N 391.472 -0.590 30 20 GBED CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCCc2ccc(C#N)cc2)CC1 1261605622 MKJSCAMPGLMOJK-UHFFFAOYSA-N 385.468 -0.114 30 20 GBED N#Cc1cn(CCC(=O)NCc2ccnc(N3CCOCC3)c2)c(=O)nc1O 1290612306 YWTBPMVIZQYFAR-UHFFFAOYSA-N 384.396 -0.241 30 20 GBED CC(C)(C)OC(=O)N1CCN(C(=O)Cn2ncn3nccc3c2=O)[C@@H](C#N)C1 1319185585 XQGPBIDCBMARRJ-LBPRGKRZSA-N 387.400 -0.138 30 20 GBED C=CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)O 1321207473 YQVAUDIRUZDJEW-ZDUSSCGKSA-N 381.410 -0.434 30 20 GBED C[C@H](CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)CC1(C)OCCO1 1323421088 NVNRCGAOVFVVSV-TZFAWSOVSA-N 394.428 -0.466 30 20 GBED COCCNS(=O)(=O)c1cccc(CNC(=O)Cn2cnc(C#N)n2)c1 1324085785 AOFPJJZYRCAWBF-UHFFFAOYSA-N 378.414 -0.609 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)n1 1324402833 HKUGBGDVDSJPAJ-HOTGVXAUSA-N 389.456 -0.383 30 20 GBED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 1324804636 ZBIWJHDDSVIQLU-LBPRGKRZSA-N 382.446 -0.416 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N 1326477600 VMNVCPWZVNLDHY-ZDUSSCGKSA-N 380.474 -0.134 30 20 GBED C#CCNC(=O)CCn1c(=O)c2c(ncn2CCOC)n(CC(C)C)c1=O 1328084697 GYGJUGUDGWKVTF-UHFFFAOYSA-N 375.429 -0.198 30 20 GBED COC(=O)N(C)CCNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1328227408 NBBZIAAGGSZRGD-GFCCVEGCSA-N 389.416 -0.800 30 20 GBED CCOCCOC1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1332367052 CRCPZETUOXWKIG-UHFFFAOYSA-N 387.440 -0.134 30 20 GBED C#CC[C@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC 1334422148 QNUUAVPPWNYUAZ-HIFRSBDPSA-N 396.465 -0.271 30 20 GBED Cc1nc(C#N)c(C#N)n1CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1559401407 UKBALXYVJYLDLY-CYBMUJFWSA-N 376.442 -0.734 30 20 GBED C[C@@H](OCc1cnn[nH]1)C(=O)NC[C@H](O)CNCc1ccc(C#N)cc1F 1575851466 ADTFODLJIIRQAP-IAQYHMDHSA-N 376.392 -0.013 30 20 GBED N#Cc1cnc(N2CC[C@](O)(CNC(=O)c3ccc(-c4cnn[nH]4)cn3)C2)cn1 1577719246 NDLJCRACZODDHM-SFHVURJKSA-N 391.395 -0.100 30 20 GBED C#CCN1CCC[C@H]1C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588351234 KIQWTOAYSURWTD-HNNXBMFYSA-N 382.428 -0.519 30 20 GBED C#CCO[C@H](C)C(=O)NC1(CO)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 1588355722 LQEVDUQSSCHSHY-GFCCVEGCSA-N 386.416 -0.858 30 20 GBED C#CCOCCC(=O)N[C@@H]1CCN(c2ncc(-c3nn[nH]n3)cc2F)C[C@H]1O 1588361514 OVGIGMMCVVSNNS-ZIAGYGMSSA-N 389.391 -0.504 30 20 GBED C#CCOCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588363568 OAPVMHZQSHLSKW-LLVKDONJSA-N 378.414 -0.701 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[nH]n2)nn1 1588436962 WNERCVOXFIYANH-XUJVJEKNSA-N 388.432 -0.131 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 1588525474 HRFYSKLPQQIUEN-ZDUSSCGKSA-N 386.416 -0.773 30 20 GBED C=CCCOCC(=O)NCCN1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 1588616133 WSGWPCPNOXAZLC-UHFFFAOYSA-N 387.448 -0.512 30 20 GBED CN(CCC#N)S(=O)(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)O)C2)C1 1598468717 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C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 366766324 VPBYXYXFKQHSSR-NILFDRSVSA-N 392.437 -0.659 30 20 GBED CC1(C)CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1 418958259 GBROLWLCPOGGQK-MRXNPFEDSA-N 383.452 -0.014 30 20 GBED CC(C)NS(=O)(=O)NCCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 429204573 PZQJYEGDXDNYKM-UHFFFAOYSA-N 395.489 -0.383 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 430388630 YMRUHGTZXOQLKL-KFWWJZLASA-N 387.502 -0.128 30 20 GBED CN(CC(C)(CO)CO)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 440683054 RHSMUKZMGANNBT-UHFFFAOYSA-N 386.412 -0.414 30 20 GBED CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN1CCOC[C@H]1C#N 440780741 RFMSFUDEWSUYHK-CYBMUJFWSA-N 387.483 -0.065 30 20 GBED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@](C)(O)CN1CCOCC1 442017239 IWDXIWUVWGPOHX-SFHVURJKSA-N 376.413 -0.295 30 20 GBED CCS(=O)(=O)C1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 456284327 CWLOYVQMUCNJRG-LLVKDONJSA-N 385.467 -0.129 30 20 GBED CO[C@]1(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CCOC1 461731531 VWYYILMEYOUDSP-SFHVURJKSA-N 384.396 0.308 30 20 GBED N#Cc1ccc(N2C(=O)C[C@@H](N3CCN(C(=O)C(=O)NC4CC4)CC3)C2=O)cc1 477036587 UOEJRECLEVPJPM-MRXNPFEDSA-N 395.419 -0.387 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cnn(CC(N)=O)c1 480807209 VWDNZKKFNBHYJW-SNVBAGLBSA-N 376.398 -0.454 30 20 GBED C=CCOC[C@@H](NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1)C(=O)OC 481761532 PYLLVYDPXHMXCU-GFCCVEGCSA-N 390.396 -0.585 30 20 GBED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1 504446077 NJGAQAMBAYWEFZ-UHFFFAOYSA-N 382.446 -0.462 30 20 GBED N#CCNC(=O)CNC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 511902726 WVVABEXYOUYHCQ-UHFFFAOYSA-N 389.441 -0.777 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCc2nc[nH]n2)cc1 568252187 KDHWLEVDCKFBMY-UHFFFAOYSA-N 398.470 -0.140 30 20 GBED C=CCOC[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)OC 589509580 ZULDZTBIDLLXSN-AWEZNQCLSA-N 381.410 -0.303 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC3[C@@H]4CNC[C@@H]34)CC2)cc1 591361411 BCJSHLQQVOQOPM-HUUCEWRRSA-N 375.454 -0.208 30 20 GBED C[C@]1(C#N)CCCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 612270033 MWTZKSFFRZWFOW-GOSISDBHSA-N 388.428 -0.167 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N[C@H](CO)c2nc(-c3ccccc3)no2)CCO1 619710412 GNSMZYNKXYHNRQ-CHWSQXEVSA-N 379.398 -0.171 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CN1C(=O)C(=O)N(C)C1=O 735418159 COQXHXVPBHHLMX-UHFFFAOYSA-N 383.368 -0.198 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1)[C@H]1CCCO1 773796906 ZSAPVLYPBVKRGY-LSDHHAIUSA-N 384.392 -0.026 30 20 GBED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 781473920 BUCAGFJSOLSENY-VXGBXAGGSA-N 385.442 -0.038 30 20 GBED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCC(N)=O)c1 782680091 GRDSMMVRODSJKX-XSFVSMFZSA-N 395.441 -0.571 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CCn2c(C)c(C)sc2=O)CC1 831561223 QWIRHQKINFCLTO-UHFFFAOYSA-N 386.499 -0.471 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)C1 838550756 AIPHSGPFLQILBL-WYUUTHIRSA-N 377.401 -0.341 30 20 GBED C#C[C@@H](C)NS(=O)(=O)CCCCS(=O)(=O)N=c1ccnc2n(C)[nH]cc1-2 848967531 ARDFUKYTLJNQGP-GFCCVEGCSA-N 399.498 -0.195 30 20 GBED C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1 895681457 WFEKDJWDAXEOPQ-UHFFFAOYSA-N 376.482 -0.082 30 20 GBED C#CCN1CCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C1 923573163 JPYLGLYNQVBZTG-ZFWWWQNUSA-N 381.502 -0.082 30 20 GBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cncn3C)C2)cn1 970704662 YDJVLDYDGADAMG-KONPQCLYSA-N 379.420 -0.098 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cncc3ncn(C)c23)C[C@@H]1O 970711437 FPCROJWTDQUOEV-FWYOQMDTSA-N 385.424 -0.139 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn3cc(C)cnc23)C1 1023741412 QSJAJPVZBAELBF-MIGQKNRLSA-N 385.424 -0.070 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2COC)C1 1024344422 YWBXDWLAROIOLZ-WNOSKKOXSA-N 392.456 -0.151 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C[C@H]2O)nc1 1024928137 QSSHHZWLDJZKRT-BURFUSLBSA-N 379.420 -0.098 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C[C@H]2O)cn1 1024928149 RDHMNMAFMNEUKV-PFPDTZPXSA-N 385.420 -0.584 30 20 GBED C[C@]1(C2CCN(C(=O)C(=O)N3CCC[C@H](CC#N)C3)CC2)NC(=O)NC1=O 1118452304 ABIBFODAOHMAQB-KZULUSFZSA-N 375.429 -0.025 30 20 GBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1c1cn(C)cn1 1130610806 RMIXKNCLSZRUPF-ONIAQPFYSA-N 376.457 -0.242 30 20 GBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1c1cn(C)cn1 1130678122 MTXLUCGRXANIPA-MUQADHOPSA-N 387.484 -0.145 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCC(=O)NCC3CC3)C2=O)cc1 1261131842 RLGFPIIACYSPMN-INIZCTEOSA-N 397.435 -0.188 30 20 GBED Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CCO[C@H](C#N)C3)CC2)cn1 1319056826 BFSHSNOGXROCLX-CYBMUJFWSA-N 382.446 -0.493 30 20 GBED CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCc1cccc(OCC#N)c1 1323494399 KAONKPRWHOQQMU-INIZCTEOSA-N 390.440 -0.643 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C1 1328444776 MAVJEPYDDBVBFL-DYVFJYSZSA-N 398.485 -0.816 30 20 GBED C=CCCOCCNC(=O)C(=O)NCC1CCN(S(=O)(=O)CC)CC1 1329462040 PCDGMUVANOWZIR-UHFFFAOYSA-N 375.491 -0.127 30 20 GBED COCCNC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 1341786204 OMWVXOVHRSEDSO-CQSZACIVSA-N 395.437 -0.366 30 20 GBED C[C@]1(C#N)CCCN(C(=O)C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)C1 1342244472 JVYMYBKZURSSCJ-QGZVFWFLSA-N 394.453 -0.016 30 20 GBED C#CCN(CC#C)c1nnc([C@@H]2CCCN2)n1C[C@]1(O)CCS(=O)(=O)C1 1574632325 OTCPOJLRCSXPGB-WMLDXEAASA-N 377.470 -0.675 30 20 GBED C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCN1 1574660395 OVPLAEZDFWMCMP-CABCVRRESA-N 396.517 -0.178 30 20 GBED C#Cc1cncc(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3cnn[nH]3)nc2)c1 1575032376 AXPCRCGFSMSFJY-HNNXBMFYSA-N 391.391 -0.236 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)NC(=O)C1(Cc2cnn[nH]2)CCC1 1575112268 RWRGIZZEMFRXOU-KFWWJZLASA-N 377.445 -0.298 30 20 GBED C#CCNC(=O)CNCC1(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCCC1 1588354659 URLXTEITUPPHNS-UHFFFAOYSA-N 384.444 -0.034 30 20 GBED C#CCOCCC(=O)N1CCCO[C@H](CN=c2cc[nH]cc2-c2nn[nH]n2)C1 1588359002 FWMMILKMIYBFTO-CQSZACIVSA-N 385.428 -0.247 30 20 GBED C=CCCn1cc(C(=O)N(C)CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 1588621080 ULZMAWWZIHITOC-UHFFFAOYSA-N 384.404 -0.136 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1591362342 UKJHHQIVIFMLSA-HZSPNIEDSA-N 390.425 -0.523 30 20 GBED CC(C)(C(=O)O)N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1603258866 QSRCQGLPYRIWLU-CQSZACIVSA-N 377.445 -0.807 30 20 GBED N#Cc1cn(C2CN(C(=O)Cc3cccc(-c4nn[nH]n4)c3)C2)c(=O)nc1O 1606389959 GJICWFXIRFXHIX-UHFFFAOYSA-N 378.352 -0.373 30 20 GBED C=CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@H](n3cc(C(=O)O)nn3)C2)C1 1609407259 WLUOPZKLDJQTFR-STQMWFEESA-N 377.401 -0.057 30 20 GBED N#Cc1cn(CCC(=O)NC[C@]2(N3CCOCC3)CCSC2)c(=O)nc1O 1625586963 ZPAJAGHJDIBHGX-QGZVFWFLSA-N 393.469 -0.465 30 20 GBED C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1750071120 WKRZUXCGVZVBHD-BLLLJJGKSA-N 391.457 -0.119 30 20 GBED 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380.493 -0.014 30 20 GBED COc1ccc(N2CCN(C(=O)CO/N=C(\N)CN3CCOCC3)CC2)cc1 264716565 NSBBVAJHQOGQLI-UHFFFAOYSA-N 391.472 -0.035 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCN1C(=O)CCC1=O 269054705 WKCDZUOYKZVVRD-LBPRGKRZSA-N 392.437 -0.120 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCS(=O)(=O)C[C@H](C)C1)c1cc[nH]n1 278296553 HZCDLQYZECJKFL-VVLNONDKSA-N 386.430 -0.413 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 281827956 UZUYZNSLKUMORE-WDEREUQCSA-N 381.501 -0.191 30 20 GBED COCCOCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 284297281 RLWAOWISDDJUMB-MRXNPFEDSA-N 388.424 -0.051 30 20 GBED COC[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C[C@H](C)O1 298096761 NQEXTWGNALGMLE-GOEBONIOSA-N 387.440 -0.136 30 20 GBED Cn1ccnc(N2CCC[C@@H](N/C(O)=N/CCN3C(=O)CCC3=O)C2)c1=O 329187815 BGJCIBAVWONVQR-GFCCVEGCSA-N 376.417 -0.598 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(CCN2CCCS2(=O)=O)CC1 333495431 BXXMGEXTKDVTFS-UHFFFAOYSA-N 398.510 -0.100 30 20 GBED N#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 349487916 DHYBUIDXJBHUFV-QEJZJMRPSA-N 391.515 -0.273 30 20 GBED N#CCNC(=O)CNC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 377043528 MJSZARSBCYRKOQ-UHFFFAOYSA-N 377.426 -0.588 30 20 GBED COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2F)C1=O 500323231 FOIYFYYDNLNSQA-ZDUSSCGKSA-N 376.344 -0.084 30 20 GBED N#Cc1c(F)cccc1-n1ccc(=NC(=O)C(=O)NCCN=c2cncc[nH]2)[nH]1 513151649 WYWAOMFGOGDLKD-UHFFFAOYSA-N 394.370 -0.316 30 20 GBED CCN(CC(=O)NCc1cccc(C#N)c1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 513334005 DKOVWLVECGFBTG-MRXNPFEDSA-N 392.481 -0.200 30 20 GBED C=CCN(CC(=O)NCc1ccc(OCC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 533524691 KZIMHPZKYODWKP-HNNXBMFYSA-N 395.481 -0.158 30 20 GBED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@H](O)COCC2CC2)n1 568070665 BKBHQWOZZWIWFK-ZDUSSCGKSA-N 384.396 -0.019 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCOCCO)cc1 572378687 NYHGDIHHKGCLOE-UHFFFAOYSA-N 377.444 -0.882 30 20 GBED CC#CC[C@@H](CO)NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 649192480 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C#CCN(CC(=O)NCCNS(=O)(=O)NC(C)C)C(=O)OC(C)(C)C 834426989 GYRBJVCBUODREB-UHFFFAOYSA-N 376.479 -0.195 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@]2(C)CCOC2=O)cc1 848637147 JWTOLJCLUGBYHS-AWEZNQCLSA-N 387.439 -0.185 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 859164577 NIWUJHJKGXUBQU-LLVKDONJSA-N 386.521 -0.544 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CC[C@H]2CCCCO2)CC1 882510901 UFRWYKQRWUVBNO-CQSZACIVSA-N 379.504 -0.639 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 887557184 ABILFMRAVCCJJC-SNVBAGLBSA-N 382.398 -0.573 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(C)c2OC)C[C@H]1OC 946819035 UVKULZNCSKBVTG-REBRKWNGSA-N 378.429 -0.025 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 949507348 UWCLRDXTYPNHSV-FXUDXRNXSA-N 379.457 -0.035 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1O 964194261 WXLVLERDZYVXCW-IVSAIRAKSA-N 377.445 -0.273 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 974265037 JOPCVQCSKYYXFE-MCEUPANISA-N 375.469 -0.101 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CN3C(=O)CCC3=O)C[C@H]21 975261048 GGAZUUQZQPFJOL-TUVASFSCSA-N 375.425 -0.214 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@H](c2cncn2C)C1 993608342 RLOCVLLBMSUNCD-BHPKHCPMSA-N 375.429 -0.703 30 20 GBED N#Cc1nccnc1N1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1051480810 UWJPCGROMZZXDO-VKBLOTRZSA-N 392.423 -0.091 30 20 GBED Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nn2)c(=O)n(C)c1=O 1055102332 QCXFZIRPFBZPDD-XBFCOCLRSA-N 381.396 -0.715 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCc2nnn(C(C)(C)C)n2)C[C@@H]1O 1083790195 UGHKWRCFGUBNMJ-KBXIAJHMSA-N 378.477 -0.277 30 20 GBED C#CCN(CC1CC1)C(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 1116715488 KDNVPRMQODPFEH-UHFFFAOYSA-N 379.438 -0.297 30 20 GBED N#Cc1cn(CCNC(=O)CN2CCN(c3ccccn3)CC2)c(=O)nc1O 1167523911 XPLJUDFAXFGAON-UHFFFAOYSA-N 383.412 -0.846 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@](C)(O)CN(C)C 1321139242 KWVMYXJSTQTWOM-SFHVURJKSA-N 385.428 -0.185 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 1323357541 UUDFDDFDRHYDSB-UHFFFAOYSA-N 380.514 -0.518 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)c3ncn(C)n3)CC2)c1C#N 1324059562 CJLVUBJNQSZMAC-GFCCVEGCSA-N 385.432 -0.745 30 20 GBED CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1 1326597766 UOCXTDUXEFSYBQ-MSOLQXFVSA-N 385.468 -0.180 30 20 GBED CS(=O)(=O)N1CC(CNC(=O)C(=O)NCc2cccc(OCC#N)c2)C1 1326655839 SUBQPGSLHGPTNO-UHFFFAOYSA-N 380.426 -0.787 30 20 GBED C=C(C)Cn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1342614440 DJKHJBOHPWRUJG-AWEZNQCLSA-N 375.477 -0.332 30 20 GBED CN(CC(=O)N1CCCC1)C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1350297233 RKCIMPVYWIDOCL-UHFFFAOYSA-N 384.440 -0.317 30 20 GBED C=CCn1c(C[S@](C)=O)nnc1N1CCN(CC(=O)NCCOC)CC1 1352039582 CGWCIXIPZNZHBL-SANMLTNESA-N 384.506 -0.773 30 20 GBED C=CCOCC(=O)N1CCC(CO)(NC(=O)[C@H](C)OCc2cnn[nH]2)CC1 1575109378 YJOZWMZXBJQESP-ZDUSSCGKSA-N 381.433 -0.618 30 20 GBED C#CCNC(=O)[C@@H](C)N1CC[C@H](N(CC)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353645 ZRZMWYPSVQZQLW-OCCSQVGLSA-N 384.444 -0.131 30 20 GBED C#Cc1cncc(C(=O)N2CCO[C@H](CNc3cncc(-c4nn[nH]n4)n3)C2)c1 1588381207 UVZVORXIROFHTK-CQSZACIVSA-N 391.395 -0.014 30 20 GBED C=CCNC(=O)[C@@H](C)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588657798 XFJPMNKHTBLVOI-DIFFPNOSSA-N 388.432 -0.948 30 20 GBED N#Cc1cn(CC(=O)N2CC[C@H](C(=O)O)C[C@@H]2[C@@H]2CCCO2)c(=O)nc1O 1601128697 BDRVQRBAQYXPKE-UHTWSYAYSA-N 376.369 -0.309 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)NC[C@H]1COCCN1C 1602853824 JFRXSOBBYADJMR-INIZCTEOSA-N 399.455 -0.172 30 20 GBED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)Cn1cncn1)CCO2 1779137564 VCWPBYYDDXKNJF-NXFFSXPPSA-N 386.412 -0.180 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1781390636 MPKGAUXOVDCUFW-CZUORRHYSA-N 389.474 -0.338 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782679059 GKIBPKJFIHGNJA-ZBEGNZNMSA-N 382.442 -0.291 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)CC1 1782956377 ACVVPKMEHUTXAC-SUMWQHHRSA-N 381.454 -0.303 30 20 GBED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1783923711 GDVVXRVFTRZLRH-FUHWJXTLSA-N 379.413 -0.264 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCO)[C@H]2C1 1789917884 KXQCAQBFEKWXQD-VGWMRTNUSA-N 385.461 -0.224 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1)C2 1795597998 QJAFIKWIUNQOFE-MUJYYYPQSA-N 386.456 -0.038 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)n2)C3)c1 1798693472 CZLHTQGTQHFOPI-QHBPRCKVSA-N 398.379 -0.395 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccnn1 1801343657 FCOFNNLPEAKDDH-ZXFNITATSA-N 388.424 -0.517 30 20 GBED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1831454252 KWECTRKFDLONOH-BBRMVZONSA-N 387.458 -0.963 30 20 GBED CC(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835101748 FLSISXHGSLAWRT-NRFANRHFSA-N 399.447 -0.369 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1837397846 WUNYNOZZLOMBAZ-IFXJQAMLSA-N 397.472 -0.896 30 20 GBED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839987162 QBZFIBSAZKHSTL-SFHVURJKSA-N 396.444 -0.119 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840355530 HRXLMNMCBJHAAP-GOSISDBHSA-N 390.444 -0.326 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCOC2)CCO3)c1 1840537493 CMEKVCMNHSJNAV-BEFAXECRSA-N 388.424 -0.007 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 23180400 ORIBRROBRCTYFQ-UHFFFAOYSA-N 385.467 -0.685 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCC(=O)OC)Cc2ccncc2)C1=O 267972341 MWYAMOCUMOGDFY-UHFFFAOYSA-N 388.380 -0.050 30 20 GBED CN(C)S(=O)(=O)c1ccc(OCCO/N=C(\N)CN2CCOCC2)cc1 272911190 OGCFFTGPYATSSW-UHFFFAOYSA-N 386.474 -0.063 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCOCCO)cc1 282159810 MOZGAWGYWXPAKY-UHFFFAOYSA-N 399.469 -0.101 30 20 GBED N#C[C@H]1COCCN1S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O 289088179 IBTHHJSQPCXYHN-ZDUSSCGKSA-N 393.421 -0.147 30 20 GBED C[C@H](C(=O)N/C(O)=N/C(C)(C)C)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 330403749 WLEORVFXJZCPAS-GFCCVEGCSA-N 395.460 -0.503 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@](F)(C#N)C2)nn1C 348338035 DYSZTVWCKDOYDN-GFCCVEGCSA-N 394.454 -0.477 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCN(C)C(=O)[C@H]1C 349604253 SUPKPNCHEXZBDJ-NWDGAFQWSA-N 380.492 -0.910 30 20 GBED CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 370331358 ADBLXRPXFXOVBV-SFHVURJKSA-N 388.403 0.250 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@@H]5O)n2)cc1 374488212 LLTGMYZKSHNAFJ-FIDHJVLJSA-N 392.419 0.364 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NC[C@H](O)COc2ccc(F)c(F)c2)CCO1 410153014 XHCCOOUPRJEFRK-CMPLNLGQSA-N 377.369 -0.237 30 20 GBED CC1(C)CN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C[C@H](CO)O1 422112757 ZXPCXCRTOMOKFL-OAHLLOKOSA-N 387.440 -0.400 30 20 GBED Cc1cccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1C#N 444028406 GWTHFJXHYODJJX-GJZGRUSLSA-N 399.494 -0.357 30 20 GBED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOC)C(=O)C1 508938575 KWEHCIXHJUPDOD-GFCCVEGCSA-N 386.478 -0.631 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCc2cccc(C#N)c2)c1=O 515200117 VNHHDTMSAZJPOY-UHFFFAOYSA-N 381.392 -0.268 30 20 GBED CN(C)CCCN(CCC#N)C(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 531233657 NMPACXLXXZIVED-UHFFFAOYSA-N 375.433 -0.011 30 20 GBED C[C@H](CNC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)S(N)(=O)=O 584370125 CFPDOQFLUKJHKJ-GFCCVEGCSA-N 394.453 -0.279 30 20 GBED CS(=O)(=O)CCCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 594626204 BBMXYPRWDYBJNU-UHFFFAOYSA-N 395.484 -0.799 30 20 GBED CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 727008832 WMLQLUBVRWBTAI-CYBMUJFWSA-N 386.408 -0.090 30 20 GBED N#CCn1c(CN2CCC[C@@H](CNS(N)(=O)=O)C2)nc2ccccc2c1=O 730570316 HICONTJJZUIGKK-ZDUSSCGKSA-N 390.469 -0.075 30 20 GBED CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3cnn(CCOC)c3)c2=O)cn1 743726038 BTWZNWSUTCRTDI-UHFFFAOYSA-N 395.448 -0.015 30 20 GBED N#CCn1cc(NC(=O)C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)cn1 746365515 LLGSGUSTOXDMTA-INIZCTEOSA-N 395.423 -0.284 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H](C#N)C1CC1 820438104 ISRPWORAQKNYOG-TVQRCGJNSA-N 375.414 -0.048 30 20 GBED C#CCCN1CCN(C(=O)c2cc(C(=O)N3CCN(CCC#C)CC3)[nH]n2)CC1 825078008 POAXMVLKLLWAPG-UHFFFAOYSA-N 396.495 -0.028 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 856676610 DZMZYMWLGUVXPM-GFCCVEGCSA-N 395.437 -0.652 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@@H]1O 964192869 FRASVCJOUDHSHL-UKMLZYKCSA-N 390.440 -0.214 30 20 GBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)nn1 969306109 HCJOZJKPPXEUMM-HWMZRRJGSA-N 389.456 -0.172 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(OC)nc(OC)c2)C[C@@H]1O 970702404 QOXYXRGQJJDQGX-KBXIAJHMSA-N 391.424 -0.009 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(OC)ncn2)C1 1023860418 DGMCOMIFRRSPRY-DCDXPUDHSA-N 376.413 -0.232 30 20 GBED C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCC(C(N)=O)CC1 1109070871 MIHAIKOFOPLTTA-PMPSAXMXSA-N 378.473 -0.366 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 1109114108 YJUXAIGEKIVUKF-QZWWFDLISA-N 377.489 -0.199 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)Nc1nncs1 1110461986 RIYBKYGXEBMINV-UTUOFQBUSA-N 376.442 -0.662 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C[C@@H]1n1ccnn1 1129937800 HEOHFWJLVMGZRM-CBZIJGRNSA-N 386.456 -0.816 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2nc[nH]n2)cc1 1324871650 DATRSCSCIBYZER-UHFFFAOYSA-N 392.441 -0.091 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@H]2CCc3nnnn3CC2)CC1 1326459213 MMVIMDMANAOXAU-HNNXBMFYSA-N 394.439 -0.285 30 20 GBED C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1326651256 IOZFFIMOKBJLRG-GOEBONIOSA-N 392.481 -0.228 30 20 GBED C[C@H]1CN(CCN(C)C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[C@@H](C)O1 1332039358 YSDXFWWNSXBRPK-HLLBOEOZSA-N 377.489 -0.247 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 1340422712 JEJBHHGHKXBBKZ-HNNXBMFYSA-N 387.502 -0.537 30 20 GBED C=CCSCCNC(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 1345464080 URWWBENJEIYFON-UHFFFAOYSA-N 393.531 -0.468 30 20 GBED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 1470982333 GCPOZWXOFGUZTM-STQMWFEESA-N 388.428 -0.149 30 20 GBED C=CCCC(=O)N1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H]2CNC(=O)N2)CC1 1575085504 KYZJOLZKHCUVAR-AWEZNQCLSA-N 375.433 -0.228 30 20 GBED C#CCN1CCC(C(=O)N2CCN(c3ccc(-c4nn[nH]n4)nn3)CC2)CC1 1588351898 PAWNVLARYCNZST-UHFFFAOYSA-N 381.444 -0.350 30 20 GBED C#Cc1ccccc1CC(=O)N(C)C[C@@H](O)CN=c1cc[nH]c(-c2nn[nH]n2)n1 1588375371 RNTNQAUOXVZSFB-HNNXBMFYSA-N 392.423 -0.466 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nn[nH]n3)C[C@H]2O)nn1 1588712621 APGFLWVGPUXSDO-BXUZGUMPSA-N 399.390 -0.237 30 20 GBED N#CCN1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)C3)[C@@H]2C1 1592677463 FERUKTSWDRIBHP-BNOWGMLFSA-N 397.399 -0.562 30 20 GBED N#CCSCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O 1592679675 ZCSBUYSHBTYDLR-SKDRFNHKSA-N 390.429 -0.857 30 20 GBED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C#N)(C(=O)O)CC2)cc1 1598676646 DTMQIWGWMIVTAE-UHFFFAOYSA-N 387.439 -0.026 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C 1602721490 LQFIRYRLLNJLEK-KFWWJZLASA-N 395.471 -0.057 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)Nc1cc(-c2nn[nH]n2)nc(CC)n1 1602886616 UOFVIXKDNVBJRE-WZRBSPASSA-N 388.432 -0.301 30 20 GBED N#C[C@]12CN(C(=O)c3ncc(-c4nn[nH]n4)cc3Cl)C[C@H]1CS(=O)(=O)C2 1606354518 KZHGPVDKBGELDZ-LKFCYVNXSA-N 393.816 -0.075 30 20 GBED Cc1c(C#N)c(=O)n(CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)c(=O)n1C 1644133707 IMDIXWPENDSTNG-CQSZACIVSA-N 377.445 -0.800 30 20 GBED CC(=O)N(CC(=O)O)C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CCO1 1776202739 YQOOBZUUJDOLLD-LLVKDONJSA-N 387.439 -0.058 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnn3)C[C@@H]21 1784480257 UJYRDFIZNDMSOJ-UGUYLWEFSA-N 375.429 -0.704 30 20 GBED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4ccncc4=O)C[C@@H]32)CC1 1786698030 KQWVIHAXYGBYLH-KKUMJFAQSA-N 385.424 -0.473 30 20 GBED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1786701816 DOZSEIXMISKXFP-DRZSPHRISA-N 375.385 -0.215 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)C=C)C2 1793358053 NAJRKKGEZZPIKM-SVZOTFJBSA-N 379.457 -0.142 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=S)NC)C2 1793358263 ZSYOPWVHWBOTMS-AYDFFVQHSA-N 398.529 -0.349 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CC(N)=O 1793432369 PSYOZSZEVZLVJE-MBMVNNNZSA-N 395.456 -0.403 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 1795389044 HWRLAPNWOHQMCW-YMSVYLFOSA-N 379.457 -0.572 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1796322128 QDJZLXJRZUNQSB-QVHKTLOISA-N 388.428 -0.464 30 20 GBED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O 1798357957 WJPHDTOBFUIDGJ-AGGWBTHJSA-N 385.424 -0.418 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798693594 ROVCXAXPUFOGGO-QVHKTLOISA-N 388.428 -0.464 30 20 GBED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1800995619 PSQFBNQIOWUCAW-HBCWATKFSA-N 388.424 -0.046 30 20 GBED C#CC(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1812525629 BYQVLHYYTZSOQK-KDOFPFPSSA-N 392.419 -0.026 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1831390987 CMUANHNQHKLZHM-OXQOHEQNSA-N 394.468 -0.092 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1831420293 VYRLRKVKTMOKGI-KBXCAEBGSA-N 393.444 -0.524 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(F)(C3)C4)C2)C1 1840040307 UIQWENCDUFKGTH-DAWZGUTISA-N 380.372 -0.577 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1840157867 CEQZGKQTAPHNFH-SUMWQHHRSA-N 381.454 -0.292 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCOC2)CCO3)c1 1840537495 CMEKVCMNHSJNAV-HNAYVOBHSA-N 388.424 -0.007 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3OC)C2)C1 1840841416 XYOKCFJHMQPQNA-LJQANCHMSA-N 390.440 -0.088 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)N1CCN(C)CC1 1847806866 YNTWMUDMOYBIIF-MHORFTMASA-N 376.501 -0.138 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1 14768608 RWZSKVRSJANSTR-NSHDSACASA-N 399.425 -0.083 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c1=O 21593227 MNGIIALYJVSDDP-UHFFFAOYSA-N 381.348 -0.234 30 20 GBED N/C(=N/Cc1ccc(S(N)(=O)=O)s1)N1CCN(c2ncccn2)CC1 262176882 BDMSVWDKXWOXQT-UHFFFAOYSA-N 381.487 -0.178 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C1=O 264890489 VZMKYJRLLSCUQF-QMMMGPOBSA-N 376.291 -0.757 30 20 GBED COC(=O)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC 268741573 QDTUZDSZORWGBS-GXFFZTMASA-N 397.409 -0.554 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[C@H](C(N)=O)O3)CC2)cc1 276520844 ZVGSUQNDFROEHP-CABCVRRESA-N 392.437 -0.576 30 20 GBED CNC(=O)CCN(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 288619780 OERMLAXMFQQABY-OAHLLOKOSA-N 385.424 -0.630 30 20 GBED C=CCN(CC=C)C(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 297570888 RFLQLOWTVGELPR-UHFFFAOYSA-N 395.485 -0.238 30 20 GBED CC1(O)CN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)C2CCCC2)C1 349467442 SMQZORATQKGXJG-UHFFFAOYSA-N 379.504 -0.129 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cccc(C#N)n2)C[C@H]1O 349523084 LGEUTSCMYGMAQA-WCQYABFASA-N 388.471 -0.273 30 20 GBED CC(C)(O)CNS(=O)(=O)CCCS(=O)(=O)Nc1ncccc1C#N 349575199 OIFKFHOUBWEBMM-UHFFFAOYSA-N 376.460 -0.225 30 20 GBED CC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)N[C@@]2(C#N)CC2(C)C)C1 349610378 JLHVLDMOABGVLM-CQSZACIVSA-N 379.504 -0.225 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)C1=O 366745038 QUSIMGFLNVOYKA-GXTWGEPZSA-N 388.424 -0.035 30 20 GBED CCCNC(=O)[C@H]1CN(C(=O)C(=O)NCC(=O)NCC#N)c2ccccc2O1 377207938 LRXJCNNOVMTBTG-CQSZACIVSA-N 387.396 -0.937 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@@H]5O)CC2)nc1 410742363 AUDBAUFYTQMTCW-KCEFYPGHSA-N 381.436 -0.170 30 20 GBED N#CCN1CCN(C(=O)CCSCCC(=O)N2CCN(CC#N)CC2)CC1 465146132 NIUPHUWMJKTVRX-UHFFFAOYSA-N 392.529 -0.165 30 20 GBED Cc1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1S(=O)(=O)NCC#N 489541419 ZKYSUWSRMRISKM-GFCCVEGCSA-N 391.409 -0.827 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)N2CCNCC2)cc1 495763613 GUSNGRLACBEHAG-UHFFFAOYSA-N 380.470 -0.345 30 20 GBED COC[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1)OC 520254510 ZZQUXADJGYVQPC-GFCCVEGCSA-N 391.471 -0.230 30 20 GBED CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 563154963 XASQMAVCXKOTLX-HNNXBMFYSA-N 375.477 0.053 30 20 GBED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCNC(=O)[C@H]2C)cc1 576879089 HZZQAMDZXDCPSD-WDEREUQCSA-N 378.410 -0.342 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN(CC#N)CC1 581381150 RVVXMVYBWHZSKK-UHFFFAOYSA-N 377.492 -0.931 30 20 GBED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 609128638 GBKRMSZJRYQKBT-MRXNPFEDSA-N 384.440 -0.271 30 20 GBED Cn1cc(C#N)c(NC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1 611532678 YCGTYKQEOKUEDT-ZDUSSCGKSA-N 382.446 -0.050 30 20 GBED C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 753882210 XMHCIIUDSNXPRW-CYBMUJFWSA-N 393.469 -0.370 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](C)S(=O)(=O)CC2)c1=O 762100625 RQOCPWRELYWCOR-ZDUSSCGKSA-N 384.458 -0.990 30 20 GBED COCCCNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767630392 ZTLXUYMTBQQSGG-LBPRGKRZSA-N 383.426 -0.079 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCOC[C@@H]1c1noc(C)n1)c1cc[nH]n1 772536214 FOTAHTJDSFQZEE-GFCCVEGCSA-N 392.372 -0.015 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1 832200244 IJJFAMYDEJQANB-UHFFFAOYSA-N 394.457 -0.377 30 20 GBED COc1ccc(C(=O)N[C@@H]2CNC[C@H]2C#N)cc1S(=O)(=O)N1CCOCC1 834511546 MDVWHHMMKBHQHH-ZIAGYGMSSA-N 394.453 -0.443 30 20 GBED C#C[C@@H](CC)NS(=O)(=O)CCCS(=O)(=O)Nc1nc2ncccn2n1 848963335 PSJWJXWZDOMVSE-NSHDSACASA-N 386.459 -0.413 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Cc2c(C)nn(COCC)c2C)CC1 865157209 WBZRTWVATLKUDK-UHFFFAOYSA-N 375.473 -0.070 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3OCCO[C@H]3C)[C@H](OC)C2)nn1 942520126 ZNWBQXLGQSOMLG-MXYBEHONSA-N 379.417 -0.776 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc(C3CC3)nc2O)C1 963250656 QOQDUJRYZPISPG-RZFFKMDDSA-N 388.424 -0.048 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cccc(C)c2=O)C[C@@H]1O 964477353 WNURVJJMQXUZPW-DFGXFYAUSA-N 389.452 -0.174 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1O 1023913788 NWMYZXSSPKNROB-LHHMISFZSA-N 391.472 -0.193 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn(C)c(=O)c2)C1 1024526643 VCDZKKYHZZYMTE-FPCVCCKLSA-N 375.425 -0.332 30 20 GBED C=CCOCCN1CCN(C(=O)[C@H]2OCCO[C@H]2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1108476323 JROUCCMILWYBPQ-JONQDZQNSA-N 388.486 -0.697 30 20 GBED CCOc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@](O)(CC#N)C3)CC2)nn1 1118526091 UTHZIOJCXWSXSW-SFHVURJKSA-N 388.428 -0.599 30 20 GBED C=C(C)COCCNC(=O)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1119556063 CMRGFYPMTKRSES-KRWDZBQOSA-N 382.505 -0.392 30 20 GBED CN(C)CCOc1cc(CNC(=O)C(=O)NC2CCN(CC#N)CC2)ccn1 1258235091 RAFAGOQCPBRNEP-UHFFFAOYSA-N 388.472 -0.258 30 20 GBED CN1CCN(c2cc(CNC(=O)C(=O)N3CC[C@](O)(CC#N)C3)ccn2)CC1 1261464024 HINBCLPMCPIOPS-LJQANCHMSA-N 386.456 -0.673 30 20 GBED COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1301732911 XBTFZUIXKRZZFK-ZIAGYGMSSA-N 377.449 -0.464 30 20 GBED N#CCc1cccc(S(=O)(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 1321548353 IKZBAZKFJAIUOL-ZDUSSCGKSA-N 385.467 -0.276 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCC(=O)NC2CCCCC2)CC1 1323444274 YQKAEJRTEFHMIV-UHFFFAOYSA-N 390.484 -0.070 30 20 GBED CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 1323569345 IPVRJILGYSZEMX-UHFFFAOYSA-N 392.437 -0.845 30 20 GBED Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3cccc(OCC#N)c3)C[C@H]2N)cn1 1325830268 QTRXXLAWUKGNSF-DLBZAZTESA-N 382.424 -0.108 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)C1 1326532775 PPEUVBAKYQCVKF-IBGZPJMESA-N 386.408 -0.446 30 20 GBED CCCN(C)C[C@@H]1CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1326598292 XPJYFVVCQSYYMR-HYEKCJMVSA-N 391.472 -0.181 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)nn1 1328106060 CLMREJAAJMIEEC-NSHDSACASA-N 388.350 -0.298 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCC(CN3CCOCC3)CC2)CCN1C1CC1 1331945049 CLWDPKFVNAVUOQ-SFHVURJKSA-N 389.500 -0.244 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NCC1CCN(C2CC2)CC1 1346279036 YZLKWHORPOEMLO-WUKNDPDISA-N 389.456 -0.380 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573295775 UICMPBWJMQABKR-OBJOEFQTSA-N 389.416 -0.617 30 20 GBED C=CCOCC(=O)N1CC2(C1)CN(C(=O)[C@@H](C)OCc1cnn[nH]1)CCO2 1575108541 NCFRKIHQXPFZOC-CYBMUJFWSA-N 379.417 -0.648 30 20 GBED C[C@@H](CNC(=O)CC#Cc1ccccc1)NC(=O)CC(=O)NCc1cnn[nH]1 1575581052 QXBPGUVTAQGAID-AWEZNQCLSA-N 382.424 -0.126 30 20 GBED Cn1c(=O)[nH]c(N2CCO[C@H](c3ccc(-c4nn[nH]n4)cc3)C2)c(C#N)c1=O 1581748115 PDRXUIYAOVTPPB-ZDUSSCGKSA-N 380.368 -0.297 30 20 GBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)c1cc(C)ncc1-c1nn[nH]n1 1588358124 QAUXNRNQOTULBS-UONOGXRCSA-N 387.444 -0.136 30 20 GBED C=CCNC(=O)[C@@H](C)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588657024 FHQBVDCIBTZUIF-YPMHNXCESA-N 388.432 -0.684 30 20 GBED CCOC(=O)CON=C(C(=O)N1CC[C@H](OC)C[C@H]1C(=O)O)c1cc[nH]n1 1610017351 ANYOIZCOEQCKJJ-JQWIXIFHSA-N 382.373 -0.216 30 20 GBED COC(=O)[C@H]1C[C@@H](O)CN1C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1636046259 QYXJFJRAOQBENH-DMDPSCGWSA-N 395.437 -0.362 30 20 GBED Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNS(C)(=O)=O)n1 1707603113 RJUZAMHBLAKFNV-CYBMUJFWSA-N 391.457 -0.074 30 20 GBED C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CC(=O)N1CCOCC1 1723778226 NUBXNDMTHUFGPD-CQSZACIVSA-N 389.460 -0.002 30 20 GBED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1750077401 VEPVHNFEHJACSQ-WWGRRREGSA-N 383.474 -0.073 30 20 GBED C#CCNC(=O)[C@H](C)N1CCC(CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1755178870 ULVWFQFSSSWRHN-NEXGVSGLSA-N 375.469 -0.509 30 20 GBED CC(C)(CNN=Cc1ccc(S(=O)(=O)NCC(=O)O)cc1)S(C)(=O)=O 1776056103 LLQZXHQJAUCBJD-UHFFFAOYSA-N 391.471 -0.204 30 20 GBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1 1778115910 CZKAZLMBLIKOLJ-QGZVFWFLSA-N 383.470 -0.879 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778445808 PAGKZULQTVEXLK-SFHVURJKSA-N 383.364 -0.739 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)no3)C2)C1 1779672634 GMIZOZOYDIMTIA-DDKKJVIOSA-N 390.396 -0.318 30 20 GBED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)C2 1783171604 HEYBEQKOYOFMBE-AUUYWEPGSA-N 393.440 -0.543 30 20 GBED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)NC(=O)OCC)C[C@@H]32)C1 1783463742 ADVXILBFWRDHLT-NZUILWFCSA-N 395.456 -0.003 30 20 GBED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nc(N)n[nH]3)C[C@@H]21 1783683419 ZDDUAHUNTGFYNE-AVGNSLFASA-N 389.460 -0.151 30 20 GBED Cc1nccn1CCCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1784412009 PFULTMAOCUTYSZ-IBGZPJMESA-N 388.424 -0.110 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(F)nc3)[C@H]2C1 1788843887 WKUZMXUIOQETHU-IHRRRGAJSA-N 375.356 -0.098 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1csc(N)n1 1795660606 HTUTVZYSRACEJZ-FMSGJZPZSA-N 378.454 -0.033 30 20 GBED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cncn2)cc1 1795849692 RTLDVBCGFXXEMG-XEMDLRDOSA-N 394.435 -0.018 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cc(O)n[nH]2)[C@@H]1c1cccnc1 1812877819 ARUWEUYSEWOZST-SJKOYZFVSA-N 383.364 -0.082 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1829771021 AXUTXNILHFVKDG-UJUYVFTQSA-N 395.431 -0.341 30 20 GBED C[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907583 KZCOFBPEKGIQJT-FOIQADDNSA-N 387.436 -0.062 30 20 GBED CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1831276602 PZAUEDYWJPPTEI-KDOFPFPSSA-N 398.460 -0.620 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1834761036 PIGRJILIZXABJA-BAOGCXAUSA-N 377.445 -0.172 30 20 GBED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1834778162 TYLPRDOYRNJNPC-RAKGJIHJSA-N 386.470 -0.120 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC#N)CCO2 1835351955 GYBCAVVMORISGF-VOFKWLDRSA-N 390.440 -0.395 30 20 GBED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835352295 RWISTSGEULXSNM-RDTXWAMCSA-N 380.445 -0.339 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836165847 DRUIYQVKGSGSMU-LPHOPBHVSA-N 392.456 -0.069 30 20 GBED C[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493611 MZUCCGIYMNPCNZ-OXQOHEQNSA-N 394.468 -0.478 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1839838215 DTAFAOFNRUPIJI-DEYYWGMASA-N 381.429 -0.237 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCSC3)C2)C1 1840045108 RLTOCKGHCLRPJN-KBXCAEBGSA-N 396.465 -0.326 30 20 GBED CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840161141 FLKITSVKCAHOLL-VAZLSXMYSA-N 392.543 -0.080 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSCC(=O)O)CCO2 1840191999 HFSKZMIKYDVYQT-INIZCTEOSA-N 385.442 -0.436 30 20 GBED CN(C)S(=O)(=O)c1ccccc1CNc1c(C#N)c(=O)n(C)c(=O)n1C 14326373 XEEVPXAISLCQBF-UHFFFAOYSA-N 377.426 -0.182 30 20 GBED C=CCn1nnnc1SCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 52895090 IFZNHVSVWRFBAJ-UHFFFAOYSA-N 382.471 -0.043 30 20 GBED C#CCN1C(=O)[C@@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 263641975 CMSXHLBRZJWQKO-KMJMQOOCSA-N 394.478 -0.097 30 20 GBED C=C(C)COc1cccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 275898895 IWRJMWVHQMFPQZ-CQSZACIVSA-N 386.408 -0.251 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCN(CC)S(C)(=O)=O 285405473 ICCHUCKNAMBHEE-KBPBESRZSA-N 375.491 -0.128 30 20 GBED N#Cc1ncn(CCNC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)n1 286991488 PLSFVCLBERUHQV-UHFFFAOYSA-N 388.476 -0.120 30 20 GBED C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 289923937 BHXZTBMAQHAYOA-NSHDSACASA-N 385.442 -0.063 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N(C)CCOCCO)CC2)c1C#N 297840071 RGCQBJXUEIHCEW-UHFFFAOYSA-N 381.458 -0.561 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C(=O)NCCOC)CC[C@H]2C)C1=O 299588136 UVWOTCXOUYWIOE-CHWSQXEVSA-N 394.428 -0.647 30 20 GBED CCCS(=O)(=O)N1CCC[C@@H]1/C(O)=N/CCN1CCS(=O)(=O)CC1 328752941 DDJWOYZVLMJVON-CYBMUJFWSA-N 381.520 -0.123 30 20 GBED C[C@H]1CN(/C(O)=N/[C@@H]2CCCN(S(C)(=O)=O)C2)CCN1S(C)(=O)=O 329294648 SDSNHQNGBGXTQI-NWDGAFQWSA-N 382.508 -0.710 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(CC#N)CC1 349476229 ZPFZQMWIZZJERN-ZDUSSCGKSA-N 397.482 -0.293 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@]2(CCOC2)C1 349485704 ATTQDHZTZNRUEW-AWEZNQCLSA-N 379.504 -0.006 30 20 GBED C=CCNC(=O)Cc1noc(CCC(=O)N2CCN(c3ncccn3)CC2)n1 350695864 RYWOLAFUPPEKQE-UHFFFAOYSA-N 385.428 -0.014 30 20 GBED CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1 409532159 YZCQXECRHDVNNN-HNNXBMFYSA-N 389.522 -0.374 30 20 GBED C=CCN(CCc1ccco1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424513098 WXPWKBBVXJPBLE-CYBMUJFWSA-N 384.410 -0.453 30 20 GBED N#Cc1cnc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(Cl)c1 427917304 SWWDJNNOOJYDIF-UHFFFAOYSA-N 391.815 -0.250 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 437020437 KOSLLHGTBKWEEG-RDJZCZTQSA-N 391.472 0.251 30 20 GBED CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN1CCOC[C@@H]1C#N 440780742 RFMSFUDEWSUYHK-ZDUSSCGKSA-N 387.483 -0.065 30 20 GBED N#Cc1cccc(CCNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 466809426 OHNCQAOWBDSAKX-UHFFFAOYSA-N 399.451 -0.187 30 20 GBED CNC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 468075729 QYHKFIDDFWOGQO-LBPRGKRZSA-N 399.386 0.351 30 20 GBED COC(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCC#N)c1Br 509011343 BFZCEHFUROTACH-UHFFFAOYSA-N 397.185 -0.070 30 20 GBED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1C 512790384 LSLHOGMOXPKLQI-UHFFFAOYSA-N 389.481 -0.291 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCCN2C(=O)CNC2=O)cc1 521722278 BBEOZICFFAIMQS-UHFFFAOYSA-N 393.425 -0.450 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCNc1ccn(C)n1 567169458 QRKSTDGPZUAILI-LBPRGKRZSA-N 376.442 0.187 30 20 GBED CNC(=O)CN1CCC(NC(=O)C(=O)Nc2cc(OC)c(C#N)cc2F)CC1 599932245 PKEMTIRDDBPTTC-UHFFFAOYSA-N 391.403 -0.029 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cccc(CS(C)(=O)=O)c2)CC1 728534534 MFMZOYIPTCZDLS-UHFFFAOYSA-N 377.466 -0.262 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C)c(-n3cnnn3)c2)CC1 747991874 QHIOFXNCVHXXGE-UHFFFAOYSA-N 395.423 -0.103 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1CN1C(=O)NC2(CCOCC2)C1=O 756876439 NLCXGFSZRRCWNH-ZDUSSCGKSA-N 385.428 -0.083 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 761035689 BZVQYYSIYVWRNI-UHFFFAOYSA-N 395.441 -0.073 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)N(C)C)CC1)c1cc[nH]n1 770836640 ZFKBCUHITBPMTD-UHFFFAOYSA-N 380.405 -0.481 30 20 GBED C#CCC[C@H](O)CNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 798423017 SDMAXCJCIUIIIB-AWEZNQCLSA-N 383.474 -0.353 30 20 GBED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)[C@](C)(C#N)CC(=O)O 820597490 USNYMONHYDBDEJ-INIZCTEOSA-N 383.426 -0.080 30 20 GBED C[C@H](CC(=O)N1CCOC[C@H]1C(=O)O)/N=C1/NS(=O)(=O)c2ccccc21 823847933 NYVNQKJKQKKJDK-PWSUYJOCSA-N 381.410 -0.184 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C#N)(C(=O)OC)CC2)c1=O 840128855 BTRTWOHGVUJVDN-UHFFFAOYSA-N 389.412 -0.720 30 20 GBED CN(C1(C#N)CCC1)S(=O)(=O)CCCS(=O)(=O)N[C@@]1(C)CCOC1=O 848963660 YNHUCWGVHBKZIK-ZDUSSCGKSA-N 393.487 -0.291 30 20 GBED C/N=C(/NCCN1CCOCC1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 849081746 BSMATRCBXMUQEZ-UHFFFAOYSA-N 399.473 -0.134 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](N3CCOC3=O)C2)cc1 855512465 FYLCXYGLVPWWGV-ZDUSSCGKSA-N 378.410 -0.110 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCn2cncn2)C[C@@H]1O 964194298 XJYSVCQYXAYOJJ-IVSAIRAKSA-N 377.445 -0.273 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3nnc(O)nc3O)[C@@H]2C1 974633733 HFERUZJJDKKOIP-LPWJVIDDSA-N 389.412 -0.063 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nnc(O)nc2O)nc1 998948376 MVSHBZFFQZMMDQ-WXHSDQCUSA-N 380.364 -0.165 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(C(=O)NC)n2)C[C@H]1O 1025710523 SZZHQYMUBOMBDE-MPESAESLSA-N 388.424 -0.666 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCCNC1=O 1109427123 OYFWCUCXQRBTDT-UGUYLWEFSA-N 375.473 -0.004 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1[nH]c(O)nc1C 1110695980 VZTNKBCVMAFKMY-UTUOFQBUSA-N 376.417 -0.229 30 20 GBED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCc2ccc(C#N)cc2)cn1 1319249654 RUGLHAZDWPUTMJ-UHFFFAOYSA-N 397.439 -0.313 30 20 GBED COC(=O)CN(C)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1319738182 SMJRVURQZIAREI-GFCCVEGCSA-N 382.442 -0.554 30 20 GBED COC(=O)NC1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1323635059 MJKNJXKUTWKRLL-OAHLLOKOSA-N 399.407 -0.263 30 20 GBED COC(=O)N1CC(NC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 1323803701 XTIYCLCQZXWMKQ-UHFFFAOYSA-N 389.387 -0.087 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1CCNC(=O)[C@@H]1c1c(C)nc2ccccn12 1324239088 PICROYFEXKLNBO-BBRMVZONSA-N 385.424 -0.041 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC([C@@H](O)c3ccnn3C)CC2)C1=O 1334842466 XTZOCFAOOSOLFB-OAHLLOKOSA-N 389.412 -0.331 30 20 GBED N#Cc1ccc([C@H](N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C(N)=O)cc1 1340940239 OAVBXVTUZNGNII-JYJNAYRXSA-N 378.454 -0.828 30 20 GBED N#C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)C1 1341767670 YVKHNYPMZLGCHB-IRXDYDNUSA-N 377.489 -0.339 30 20 GBED CS(=O)(=O)NCCNC(=O)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 1341896972 AHDLMRDUPKINAN-HUUCEWRRSA-N 378.454 -0.050 30 20 GBED C#CCN1CCN(c2nnc(C3=NO[C@H](CO)C3)n2CCCOCC)CC1 1346837943 CMIVZSMGECFQPF-HNNXBMFYSA-N 376.461 -0.055 30 20 GBED CCCS(=O)(=O)NC1CCN(c2nnc(Cn3cnc(C#N)n3)n2C)CC1 1348670276 RQUUACCKFFTEMF-UHFFFAOYSA-N 393.477 -0.375 30 20 GBED C=CCn1c(C[S@@](C)=O)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 1520563490 UESBEVBDQFRVSO-HSZRJFAPSA-N 376.508 -0.729 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)cn1 1573286976 DFFOSYGBWDLVAV-CQSZACIVSA-N 391.395 -0.332 30 20 GBED C=CCOCC(=O)N[C@H](C)[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1573343776 SHTBTGYYMCKVDE-RISCZKNCSA-N 389.416 -0.257 30 20 GBED C[C@@H](C#N)C(=O)N1CC(N2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)C1 1573560959 IEHRJGDHTWFZJI-NSHDSACASA-N 383.416 -0.677 30 20 GBED N#Cc1ccc(N2CCOC[C@@H]2CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 1581871072 FWRWETSYYCKTRC-NSHDSACASA-N 380.372 -0.508 30 20 GBED N#Cc1cccnc1N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1581876592 XPPMWZXIEPQIKH-QGZVFWFLSA-N 379.384 -0.167 30 20 GBED C#CCCN1CCS(=O)(=O)[C@H](CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588347202 OBXNQDDOJVREEO-CYBMUJFWSA-N 391.457 -0.563 30 20 GBED C=CCCO[C@H](C)C(=O)NC[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCO1 1588608147 GIHLFUVYVRKGIB-OLZOCXBDSA-N 388.432 -0.041 30 20 GBED C#CCOCCC(=O)N(C)C[C@@H](O)CNc1ncc(-c2nn[nH]n2)cc1F 1602727077 KPWBDSXBJNTRDZ-LBPRGKRZSA-N 377.380 -0.328 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1609021542 HWVNKUOHROOYMO-UHFFFAOYSA-N 399.346 -0.636 30 20 GBED C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1648799873 UMQMBCZZOJOCEZ-LNSITVRQSA-N 398.510 -0.025 30 20 GBED CC(=O)N(CC(=O)O)C[C@@H]1CN(S(=O)(=O)c2ccnc(C#N)c2)CCO1 1776201202 WCNQZLSZVUQVAW-CYBMUJFWSA-N 382.398 -0.724 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1783107927 AJPFIHUMXWFCTC-XJKSGUPXSA-N 389.389 -0.247 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOC1=O 1793165148 GRELSTUGMIZBIU-AYDFFVQHSA-N 396.444 -0.171 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1csnn1 1793493794 MAWQYWGVKCAPEP-OAILTHCBSA-N 391.453 -0.400 30 20 GBED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=N)N)c1 1795539698 PSZGPOYTQXLGFL-PTOXDTDZSA-N 398.467 0.000 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)n2)c1 1796355723 WJKWEZYBELJLCG-QHBPRCKVSA-N 398.379 -0.395 30 20 GBED CCc1noc(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777860 KGEXDLIUUQVTEI-DPIQGUFMSA-N 375.381 -0.163 30 20 GBED CN(C)C(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830051098 WWKZCQXINCOUHP-GOSISDBHSA-N 395.460 -0.736 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2 1837736425 JASLRMRYYWBTPW-QAPCUYQASA-N 383.445 -0.830 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCOC4)C3)C2)c1 1838742016 MGDNXAPGBCAHCF-KXBFYZLASA-N 388.424 -0.007 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839635942 GIXDSLOHMYAPFH-NQIIRXRSSA-N 396.447 -0.158 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCO3)CCO2)C1 1840011800 QBSNSUKMOPLRPF-GJYPPUQNSA-N 380.441 -0.340 30 20 GBED Cc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)s1 1840042802 OSXNDVARLVJFCB-QGZVFWFLSA-N 393.421 -0.390 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NCCN2CCCS2(=O)=O)c1 60924715 YOACWPWLAGMGTQ-UHFFFAOYSA-N 387.483 -0.084 30 20 GBED CC(C)/N=C(/NC[C@@H]1CCS(=O)(=O)C1)N1CCN(c2cnn(C)c2)C(=O)C1 262372929 IXXUIBAEPGRONB-AWEZNQCLSA-N 396.517 -0.143 30 20 GBED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCSCC2)cn1 264558222 UEJXVWBWDQDEBQ-UHFFFAOYSA-N 376.485 -0.390 30 20 GBED C=CCS(=O)(=O)CCNC(=O)NCCS(=O)(=O)N1CCSCC1 272835186 LWAJVSLDRVKUHT-UHFFFAOYSA-N 385.533 -0.735 30 20 GBED Cn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 274644495 RDIQBPLBQUOTMW-NSHDSACASA-N 379.417 -0.314 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1cc[nH]n1 276554660 IHAKBMNLGNPEPZ-ZXOZMNBCSA-N 388.446 -0.027 30 20 GBED CO/N=C/c1ccc(C(=O)N2CCN(S(=O)(=O)c3nnc[nH]3)CC2)cc1 276896931 OXHFRFHXZPGKRF-VCHYOVAHSA-N 378.414 -0.068 30 20 GBED CCN1CCN(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C(=O)C1=O 277417716 AVWFIDGZFYYZFK-MRXNPFEDSA-N 397.435 -0.534 30 20 GBED N#Cc1ccc(CS(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 288492668 YPNVTDVWYFGHAE-CVEARBPZSA-N 399.494 -0.525 30 20 GBED C=CCNC(=O)CNC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 378469047 AUXOWVTWWHWHEJ-UHFFFAOYSA-N 399.473 0.000 30 20 GBED COc1cccc(C(=O)N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)c1 409555564 NWQYPJNIMIKEHS-INIZCTEOSA-N 394.453 -0.078 30 20 GBED C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)N1CCO[C@H](C#N)C1 410153842 GJTLYIYIFZPWHD-DGCLKSJQSA-N 388.471 -0.204 30 20 GBED C=CCn1cc(CNC(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)nn1 425565000 NDUMOUIDBRTJDN-OAHLLOKOSA-N 393.492 -0.168 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@H]1CC(N)=O 457070854 WCMYKRUDOFAGFA-WCQYABFASA-N 380.426 -0.672 30 20 GBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnn(CC(=O)OC)c1 462512307 KTGWFDSXOTVLPM-NSHDSACASA-N 377.444 -0.580 30 20 GBED CN(CCC#N)S(=O)(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 502318773 OKDGFTAPMCOVBC-UHFFFAOYSA-N 396.498 -0.036 30 20 GBED C=CCn1c(N)nnc1SCC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 531489517 KDAZESPFONNARF-LLVKDONJSA-N 389.503 -0.200 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)O)c1 547928552 CRCQKLBEIHDUQD-YEBMWUKDSA-N 386.451 -0.191 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)c1 555086557 AXZDWPIPYJAVMD-CQSZACIVSA-N 391.453 -0.101 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)O)cc1Br 562409962 HIUPWURYULDWAW-UHFFFAOYSA-N 376.188 -0.200 30 20 GBED C=CCN(C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)[C@@H]1CCS(=O)(=O)C1 563892564 XIQCOECIZGTFRD-KFWWJZLASA-N 386.470 -0.406 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C)C(=O)C2)cc1 576767610 OPLXQPHJTCANTD-NSHDSACASA-N 386.455 -0.660 30 20 GBED C[C@H](CO)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 581083527 YUIKHGZVBXXRCQ-GFCCVEGCSA-N 386.455 -0.274 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)O)C1 583316417 BDRKRJAQUNHGER-BBATYDOGSA-N 388.428 -0.032 30 20 GBED N#Cc1c(CCCNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)nn(-c2ccccc2)c1N 590419120 CPXOHHPERNEVCH-KZNAEPCWSA-N 397.435 -0.212 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1 592319978 ZGOMSOFMKHYUGT-GFCCVEGCSA-N 396.421 -0.294 30 20 GBED N#Cc1cccc(CN2CCC(NC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)CC2)c1 593930444 AAMZYYCZTOSSEA-KRWDZBQOSA-N 399.451 -0.648 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCN2C(=O)c3ccccc3C2=O)C1=O 623227763 NYPMOPDDOFSJCS-UHFFFAOYSA-N 384.348 -0.624 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 646952014 WFJJSUQMZOVVQW-ZDUSSCGKSA-N 397.453 -0.226 30 20 GBED C=CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1-c1nn[nH]n1 735428235 JCUVPDKSZHIGOR-SNVBAGLBSA-N 394.413 -0.621 30 20 GBED Cn1cc(S(=O)(=O)NCCOC(=O)CNC(=O)c2ccc(C#N)cc2)cn1 744933511 RVKOXDZMZSBDOC-UHFFFAOYSA-N 391.409 -0.457 30 20 GBED COC(=O)C[C@@]1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCCOC1 770171887 AXRUEDOAVCDXRX-KRWDZBQOSA-N 395.437 -0.046 30 20 GBED CN1C(=O)CN(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 776243984 POYTUHHIDYCMNR-UHFFFAOYSA-N 379.398 -0.570 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2F)CC1 823849931 DDLUNJIHRJFKDU-UHFFFAOYSA-N 379.421 -0.409 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)C2(O)CN(C(=O)OC(C)(C)C)C2)CC1 847447079 XMJUIIOMKDBDDV-UHFFFAOYSA-N 394.472 -0.748 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nnn(C)n1 960781396 GIHMLIXDBRIXOH-XQLPTFJDSA-N 390.444 -0.367 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 967248842 HZDRKSGIQXAZHW-NCOADZHNSA-N 390.484 -0.556 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(C)cc2=O)C[C@H]1O 1023942945 WGBAMISYGFRTFT-NZPGVSJUSA-N 389.452 -0.024 30 20 GBED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C2CC3(C2)NC(=O)NC3=O)n1 1055356045 CTVZBEBQFYBETQ-KQPHIHRCSA-N 381.396 -0.438 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@@H]1O 1083853486 YJVNNUMVQLARPH-FQLMCAECSA-N 380.445 -0.929 30 20 GBED CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N[C@H]1CCc2cc(C#N)ccc21 1117511174 OWECPKMBZKBIGY-AEFFLSMTSA-N 386.452 -0.187 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N(C)C[C@@H]1COCCO1 1118457409 MCXRUUYSANNYIW-UONOGXRCSA-N 388.428 -0.741 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1163050802 OMJIPLAWHBYXAB-CBBWQLFWSA-N 382.461 -0.466 30 20 GBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)C1 1325111031 KADMJOXFIRWXBH-KXBFYZLASA-N 387.415 -0.179 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(C(=O)N(CC)CC)CC2)C1=O 1325370663 UVBNONSWNHZRKW-OAHLLOKOSA-N 393.488 -0.162 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)C1 1326249899 QJTGAAPXPBNJHV-LJQANCHMSA-N 388.399 -0.013 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC1CCN(C[C@H]2CCOC2)CC1 1326818517 VRAQXBRCBBFYNG-CQSZACIVSA-N 387.502 -0.680 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(NC3CCOCC3)CC2)C1=O 1333519864 QBGBZCDBVRNSSL-UHFFFAOYSA-N 378.429 -0.277 30 20 GBED C=CCN(C(=O)C(=O)N1CCC(n2cc(C(N)=O)nn2)CC1)[C@H](C)COC 1335035200 MCZSLYFPNLOCIF-GFCCVEGCSA-N 378.433 -0.410 30 20 GBED CC[C@H](C#N)Oc1cccc(CNC(=O)C(=O)N(C)CCNS(C)(=O)=O)c1 1342203849 HUMPOPZZWFHFAX-CQSZACIVSA-N 396.469 -0.009 30 20 GBED CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1464851722 KEXANENQLMANAG-LBPRGKRZSA-N 379.442 -0.116 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)cc1 1573311217 KAJNSMFOJPBHAC-CQSZACIVSA-N 376.394 -0.253 30 20 GBED CC#CCNCc1cc(O)nc(CNC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)n1 1575122560 IJJGOXICMCJBKW-HNNXBMFYSA-N 384.444 -0.306 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H](C)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588351195 ISHZRALIMDNYIC-DOMZBBRYSA-N 384.444 -0.131 30 20 GBED C#CCNC(=O)[C@H](C)NC1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCC1 1588353199 KGXAYIIYDTXCEC-LBPRGKRZSA-N 384.444 -0.035 30 20 GBED C=C(C)Cn1c(Cc2ccc(-c3nn[nH]n3)nc2)nnc1N1CCNC(=O)C1 1588437219 AALVEWBQHGUBNN-UHFFFAOYSA-N 380.416 -0.044 30 20 GBED C=CCOCC(=O)NC[C@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)CCCO1 1588676191 QHADTVAONWSRNT-ZDUSSCGKSA-N 388.432 -0.121 30 20 GBED N#CCSCC(=O)N[C@]1(CO)CCCN(c2ccncc2-c2nn[nH]n2)C1 1592679170 HUZGAGDUOUXESB-MRXNPFEDSA-N 388.457 -0.034 30 20 GBED CN1C[C@@H](C(=O)O)N(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1=O 1598563312 QGVGKIGREDVZKI-LBPRGKRZSA-N 383.357 -0.510 30 20 GBED COC[C@@H](C#N)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1605042342 XZFUZQBCZCMNSZ-GXSJLCMTSA-N 380.386 -0.385 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCO1 1741944288 LRZLKQPILWBJTQ-XQQFMLRXSA-N 384.462 -0.204 30 20 GBED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)N2CCOCC2)C1 1779418218 RZBXRBZEEYZDHO-NSISKUIASA-N 393.484 -0.436 30 20 GBED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783568146 OGSMOMAGIJAJNC-KDOFPFPSSA-N 379.413 -0.791 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784385795 YSXCYRCHRGBYQQ-QBYUYEEZSA-N 393.440 -0.556 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1784485500 NPDUKBKYJSLRRW-HOSILWTGSA-N 388.424 -0.599 30 20 GBED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786695187 MXUXJFIMBFXNCX-QPSCCSFWSA-N 397.497 -0.049 30 20 GBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC)NC(C)=O)[C@H]2C1 1788778794 HFXIBOFJACWLHU-NXOAAHMSSA-N 379.457 -0.469 30 20 GBED CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1797757035 ZRCFLSGOSKETHA-XOIINTDNSA-N 378.498 -0.527 30 20 GBED C=CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)[C@H](O)C=C)C2 1797940926 GFWPSPDKPROFRA-XGYYKPKNSA-N 393.484 -0.160 30 20 GBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1801001972 GPKDFUIMPCVMMJ-ALXJQNPVSA-N 376.501 -0.068 30 20 GBED CSCC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831224367 KOPJQDZTSSOIEG-APWZRJJASA-N 396.509 -0.030 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1831425283 SJFQHEGCQMCOJG-APWZRJJASA-N 392.456 -0.069 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCOCC3)CCO2)C1 1835188001 QORUGABDSXKMNW-JXFKEZNVSA-N 394.468 -0.092 30 20 GBED N#CCC(=O)N1CCC(OC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1837115130 GTCFJJNPYVTWJM-CQSZACIVSA-N 391.428 -0.503 30 20 GBED C[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565061 KVDXLAYBMWBYFB-AHSURJHSSA-N 379.413 -0.464 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)cc3)C2)C1 1840043254 OBPGEKQJJGPLKT-IBGZPJMESA-N 390.367 -0.016 30 20 GBED CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840195895 KPSGRNFMHHVDNY-KBXCAEBGSA-N 397.497 -0.139 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC(=O)C3)CCO2)C1 1840831102 UHFZJBXDVIHPLY-KUHUBIRLSA-N 378.425 -0.540 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC(C)=O)C2)C1 1840839867 JKWUQLICYWFWBH-APWZRJJASA-N 379.457 -0.229 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CNC(=S)NCC)C2 1841055474 HNZKNLVTYNMIOP-SREVYHEPSA-N 393.513 -0.468 30 20 GBED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H](C)S)C1 1846371636 DYGHCSQUWMTHQH-SMDDNHRTSA-N 379.486 -0.021 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](CN3CCOCC3)C2)C1=O 69743732 BBLIVPPPHYZVAL-CQSZACIVSA-N 378.429 -0.466 30 20 GBED N/C(=N\CCS(=O)(=O)NCc1ccccc1)NCCCN1CCOCC1 264125942 WJAOQBNRNOQOBK-UHFFFAOYSA-N 383.518 -0.267 30 20 GBED C[C@H](O)CN(C(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@H](C)CO 297876054 UJZYKGGULKJNAL-SOLBZPMBSA-N 388.468 -0.187 30 20 GBED O=S(=O)(CC/N=C(/O)c1cn([C@H]2CCOC2)nn1)N1CCSCC1 330056281 VPZWBIGKCCVLHY-NSHDSACASA-N 375.476 -0.077 30 20 GBED C=CCNC(=O)CN1C(C(=O)OC)=NC2=NS(=O)(=O)c3ccccc3N21 359902783 FACPJSZILHPEBW-UHFFFAOYSA-N 377.382 -0.344 30 20 GBED CCOc1ccnc(N2CCCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)n1 409483769 JIGGWGTUKJFHAC-CQSZACIVSA-N 396.473 -0.143 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc1cc[nH]n1 409490799 JGENUQZIZLMMGF-CYBMUJFWSA-N 386.478 0.459 30 20 GBED C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424510272 RRTKATVEJXDRQM-OAHLLOKOSA-N 394.449 -0.046 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](CO)C[C@H](OCCOC)C1 430416796 JXNZALLXAGGAJA-YVSFHVDLSA-N 384.473 -0.044 30 20 GBED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 433888140 NQAWSYBNCYSANP-UHFFFAOYSA-N 389.387 -0.167 30 20 GBED CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 459910791 UHVAQBYLZCDYPV-GFCCVEGCSA-N 385.346 -0.017 30 20 GBED CNC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 468051380 GGBRJTYGEWAAMW-GFCCVEGCSA-N 382.384 -0.393 30 20 GBED COC(=O)CN(CC#N)CC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 471160597 GMRJQWVGRDTZAU-NSHDSACASA-N 380.426 -0.390 30 20 GBED COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1=O 538104638 LODHEICQEGJQSG-GFCCVEGCSA-N 390.400 -0.446 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCS(=O)(=O)C2)cc1 558574367 OVVZFKAAPXSZOD-CYBMUJFWSA-N 385.467 -0.222 30 20 GBED C=CCOC[C@@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C(=O)O 569924948 SFTALORZHHSCGJ-CYBMUJFWSA-N 392.455 -0.460 30 20 GBED CC(C)CN1CCN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1 590974208 QWFQICNHZDSXLU-UHFFFAOYSA-N 375.477 0.055 30 20 GBED N#Cc1cn(C2CN(C(=O)CCCNC(=O)c3cccnc3)C2)c(=O)nc1O 600832066 NCXYKKZGVHDXKH-UHFFFAOYSA-N 382.380 -0.191 30 20 GBED C=C(CNC(=O)c1ccc(=O)n(CC)n1)CNC(=O)c1ccc(=O)n(CC)n1 620748698 XIZXNJNPHAIZCW-UHFFFAOYSA-N 386.412 -0.444 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 728589346 BJARGRRFWQQPSX-UHFFFAOYSA-N 399.494 -0.854 30 20 GBED CN1CCN(C)[C@@H](CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 731872769 GLGMZXAGVMMWHO-ZDUSSCGKSA-N 379.486 -0.523 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)O)c2ccc(OC)cc2)C1=O 736106736 JVIFQFVEQIQQKQ-ZDUSSCGKSA-N 375.337 -0.086 30 20 GBED Cn1cc(S(=O)(=O)NCC(=O)O[C@@H](C(=O)O)c2ccc(C#N)cc2)cn1 739036765 MRBZWZYCCVUIPQ-CQSZACIVSA-N 378.366 -0.061 30 20 GBED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccn2)c1=O 758070129 SFQKTKYCIYRFGX-UHFFFAOYSA-N 380.429 -0.700 30 20 GBED C[C@@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)S(N)(=O)=O 768595757 BYCQHDTWQNIIMP-JTQLQIEISA-N 388.471 -0.702 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCCO1 775109944 VSCMZBLBTQHKAH-UONOGXRCSA-N 390.440 -0.346 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 783011128 KEBBNRRCPDIXAN-OAHLLOKOSA-N 386.518 -0.075 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Cc2ccccc2S(C)(=O)=O)CC1 786081291 HVVMUEJOPXYVEX-UHFFFAOYSA-N 377.466 -0.474 30 20 GBED C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 808177688 WNEAZCANCXNGFJ-CJNGLKHVSA-N 397.435 -0.141 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCN2C(=O)CSC2=O)cc1 810170508 LYIIGJZOYVXUFS-UHFFFAOYSA-N 382.423 -0.352 30 20 GBED N#CCN(CC(=O)O)C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 833066448 ZBKAFIYGWCULCF-JTQLQIEISA-N 380.382 -0.876 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn3c2OCCC3)C1 969036793 UENZFGZUHLMJTF-RZFFKMDDSA-N 376.413 -0.442 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)n1 1117270336 GJUOVYFUHLUKHG-UHFFFAOYSA-N 381.458 -0.939 30 20 GBED C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N3CC[C@@](O)(CC#N)C3)cn2)CCO1 1118210573 JLXRORANSFWBBB-KUHUBIRLSA-N 387.440 -0.200 30 20 GBED CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1 1257383444 VJDWLZSVHSPWOI-DGCLKSJQSA-N 380.426 -0.477 30 20 GBED N#Cc1ccccc1OC[C@H](O)CN[C@H]1CC(=O)N(CCN2CCOCC2)C1 1262567340 POEBRCZUYHPEIH-ZWKOTPCHSA-N 388.468 -0.179 30 20 GBED Cc1cc(NC(=O)C(=O)N(CCO)CCN2CCOCC2)n(CCC#N)n1 1320869204 TUSCVJMXDHCGFX-UHFFFAOYSA-N 378.433 -0.803 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)Cn1cnc2c(c(S(C)(=O)=O)nn2C)c1=O 1320904555 DRZHIIORPQTCKH-HNNXBMFYSA-N 380.430 -0.412 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@@](O)(C2CC2)C1 1325112165 QCWHFTFWPZOMBZ-DJJJIMSYSA-N 384.440 -0.241 30 20 GBED COC(=O)C1(C#N)CCN(C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)CC1 1328289939 SGTKFPMVNYGTDF-AWEZNQCLSA-N 378.429 -0.775 30 20 GBED N#Cc1c(N2CCN(C(=O)N3CCOCC3)CC2)cccc1S(N)(=O)=O 1339005974 GNLVGHQGESOQFP-UHFFFAOYSA-N 379.442 -0.220 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCNC(=O)c1ccccc1F 1347105342 OXFQZPWTKPMTRM-UHFFFAOYSA-N 385.417 -0.611 30 20 GBED CC(C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1544571361 FIZMGWHMPTVHEX-JSGCOSHPSA-N 380.474 -0.041 30 20 GBED C[C@@H](C#N)C(=O)N1CC[C@@H](N2CCN(c3cncc(-c4nn[nH]n4)n3)CC2)C1 1573565762 VMXWTIANBPMIIY-QWHCGFSZSA-N 382.432 -0.461 30 20 GBED C=CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)c2nonc2C)CC1 1575104951 YBVOXZXECHVZGZ-UHFFFAOYSA-N 388.432 -0.095 30 20 GBED N#Cc1ccc(N[C@H](CO)CNC(=O)C2CCN(Cc3cnn[nH]3)CC2)nc1 1577715450 OJNMHKKHLIVAJX-INIZCTEOSA-N 384.444 -0.127 30 20 GBED N#C[C@]12CN(C(=O)NCc3ccc(-c4nn[nH]n4)cc3)C[C@H]1CS(=O)(=O)C2 1581860028 HEUKUKQYAURAKA-XJKSGUPXSA-N 387.425 -0.054 30 20 GBED C#CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1)C(=O)OC 1588334248 RETHPNPFVARVEI-TZMCWYRMSA-N 382.380 -0.099 30 20 GBED C#CCNC(=O)[C@@H](C)N(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588353363 PNGXCQMAWLCPSA-OCCSQVGLSA-N 384.444 -0.131 30 20 GBED Cn1cc(C#N)c(=O)n(CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)c1=O 1592563612 YMHCXUOAWGMFMA-UHFFFAOYSA-N 386.759 -0.109 30 20 GBED CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1605148715 FDLYQHLSHVWLCC-CHWSQXEVSA-N 380.372 -0.510 30 20 GBED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)n1 1609501146 CZDBWGIYJRVZJP-UHFFFAOYSA-N 386.763 -0.262 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc[nH]n2)C1 1777770492 BKGFPFHHUKPNGT-HBUWYVDXSA-N 375.429 -0.030 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nc5ncccn5n4)C3)C2)CC1 1777828843 BHOQHKSPWDQMRL-GOSISDBHSA-N 381.396 -0.128 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1csnn1)C2 1782010761 DAVDSKOAXAFWMI-MLGOLLRUSA-N 378.410 -0.246 30 20 GBED CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21)C(=O)O 1786900885 KUBUGDYEVSZRHB-AJNGGQMLSA-N 392.456 -0.277 30 20 GBED CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](S)C(C)C 1793380640 YGTZHVUACPWQKA-NEBZKDRISA-N 392.543 -0.035 30 20 GBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O 1796427363 LWHNQIUMSIONMX-QIRZIZBZSA-N 392.481 -0.208 30 20 GBED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)N1C[C@H]2C[C@@H]2C1 1797637824 QWWLJMUKSCDDHZ-DXBVQYPPSA-N 375.425 -0.996 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(C)=O 1797963567 HOLQRCQDYBVQML-IVSAIRAKSA-N 399.513 -0.354 30 20 GBED C[C@@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1799289547 HULDQOIUCMZPSE-FLONTAGKSA-N 376.413 -0.577 30 20 GBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802104583 YPRDMOCXVQKXHB-WDAIWFPHSA-N 382.467 -0.650 30 20 GBED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1830647377 MVOJGQHJISFSQQ-IBGZPJMESA-N 394.472 -0.121 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1831438210 MOTVMABDKKDQKT-GFAJBQDWSA-N 394.468 -0.074 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833836927 HQFZWRLUSOBWIW-BZNIZROVSA-N 382.442 -0.430 30 20 GBED Cc1nccn1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835346519 FGNALWXXSFNTAF-IBGZPJMESA-N 387.440 -0.048 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1836298342 UAEKAZXOMOHBOM-KSSFIOAISA-N 391.428 -0.779 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1836477086 WBOTUZKMZARTKW-BXWFABGCSA-N 377.441 -0.991 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1840167166 BJFCKQSTLCSYOR-GOSISDBHSA-N 375.429 -0.462 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2 1844237394 PJEPQNRNQAAUGN-HUUCEWRRSA-N 381.473 -0.587 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCCN3CCOCC3)CC2)nc1 283553870 LMFXIAOQDDBILO-UHFFFAOYSA-N 386.456 -0.560 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C(C)C)N2CCOCC2)C1=O 285573398 JYWRYSXNCUKCRX-JKSUJKDBSA-N 380.489 -0.295 30 20 GBED CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCCn2cnc(C#N)n2)c1 286228637 MBTMBKQSVQZJJB-UHFFFAOYSA-N 390.425 -0.163 30 20 GBED CCN1CCN(CCCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 289681061 XBVISCZQIPWXKU-UHFFFAOYSA-N 393.513 -0.020 30 20 GBED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 292037183 ABXVRDMOUQRKPG-YPMHNXCESA-N 398.423 -0.343 30 20 GBED CCOC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(C#N)cn2)C1 349524716 NYSSBKPVOCXHOX-UHFFFAOYSA-N 388.471 0.136 30 20 GBED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 368240938 MPBNXWYGFCKOFX-HIFRSBDPSA-N 398.379 -0.398 30 20 GBED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NCC)CC1 508938300 IQFGXXNALWAVQR-GFCCVEGCSA-N 385.494 -0.074 30 20 GBED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(CC)c1=O 512737379 AXHPEKPTNHCMAW-UHFFFAOYSA-N 375.454 -0.588 30 20 GBED COC(=O)CN(CC#N)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC 515338126 XMHBXEFDKZHSLN-UHFFFAOYSA-N 376.412 -0.214 30 20 GBED COCCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOC2)cc1 566923603 HXKYPUALDWFFEG-UHFFFAOYSA-N 389.455 -0.174 30 20 GBED CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@](O)(CC#N)C3)cc2)CC1 592304128 CXWCHBBWGMFYAX-HXUWFJFHSA-N 399.451 -0.110 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 596749775 SVMMGGIMSMALDO-KBPBESRZSA-N 379.442 -0.403 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1C 619695408 JYGJSPGNKYYQBD-UHFFFAOYSA-N 391.424 -0.140 30 20 GBED C=CCNC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734034517 FAGRMALXXJLLTO-NSHDSACASA-N 381.410 -0.468 30 20 GBED N#C[C@@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)CCO1 737679009 NOHXFXMPFUVYFK-CYBMUJFWSA-N 382.384 -0.187 30 20 GBED COCCS(=O)(=O)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 744125785 SIUICXAOCUHFSR-JTQLQIEISA-N 389.455 -0.404 30 20 GBED C#CCN1CCC[C@@H]1COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 756544045 TXBXLULDFVGLJM-ZIAGYGMSSA-N 381.454 -0.207 30 20 GBED Cn1cc(S(=O)(=O)NN=C2CCCNc3ccccc32)c(=O)n(C)c1=O 774395815 UAVBQUIMNUSJSK-UHFFFAOYSA-N 377.426 -0.028 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC1CC(NS(C)(=O)=O)C1 802593705 OZBISJFQOBDPQB-UHFFFAOYSA-N 383.401 -0.027 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2c[nH]c(C(=O)O)c2)c1=O 833368680 RSZUCKYCAUCRJY-UHFFFAOYSA-N 384.417 -0.401 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3CCC4(C3)OCCO4)CC2)c1C#N 839285753 WQTRTSQWHUEDDI-UHFFFAOYSA-N 391.453 -0.053 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(N2CC[C@@H](O)C2)C1 846514412 VQRGNHALYXXLRS-CYBMUJFWSA-N 378.454 -0.607 30 20 GBED N#Cc1ccc(N2CC[C@@H](OC(=O)CN3CCS(=O)(=O)CC3)C2=O)cc1 919137026 VLCRNYZFECBTMU-OAHLLOKOSA-N 377.422 -0.063 30 20 GBED C#CCN1CCC[C@@H](NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 923597945 RSWBPXMDRCPDDV-KGLIPLIRSA-N 380.470 -0.634 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCNC(=O)C1 999121875 HFKSNNKRAOSCCI-CUGJGTHOSA-N 390.484 -0.353 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@H]21 1022751528 HJHTXBRHHYUKSN-JJXSEGSLSA-N 376.457 -0.931 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(C(=O)NC)n2)C1 1025083365 DNXYBWLMUJEGCK-MPESAESLSA-N 388.424 -0.666 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CC)n2)C1 1025099626 OJDJMAZKYBALRN-CRNXPOROSA-N 390.440 -0.454 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cn(C)nc2Cl)C[C@H]1O 1025710581 WRCRTKPNDQKGQI-SYQHCUMBSA-N 382.848 -0.105 30 20 GBED C#CCOc1ncccc1C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1044229612 YXBDWWXCNCQYAS-ALYAQQCSSA-N 397.431 -0.180 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CCCS(N)(=O)=O)n1 1093048669 OWXKTLIONKBYCO-MCIONIFRSA-N 378.458 -0.049 30 20 GBED CS(=O)(=O)CC[C@H]1NC(=O)N(CC(=O)N(CC#N)c2ccccc2)C1=O 1115980914 AFYZJFYYCWKXKG-CYBMUJFWSA-N 378.410 -0.102 30 20 GBED N#CCN1CCC(NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CC1 1116007637 QTPLTXFRUTYCCR-UHFFFAOYSA-N 384.440 -0.335 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1116645176 LQHOBEQJDSNOOL-ZDUSSCGKSA-N 397.453 -0.037 30 20 GBED C=CCN(CC=C)C(=O)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 1117423418 SJPUKUSVWSDRHD-UHFFFAOYSA-N 395.485 -0.110 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@H](OC)C1 1213444667 YSLONXYGLLHLHD-QKPAOTATSA-N 393.488 -0.534 30 20 GBED C=C(C)Cn1c([C@H]2CNC(=O)C2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1263294666 DKNQYFLCZFCCTL-OLZOCXBDSA-N 382.490 -0.024 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)nn1 1325932667 RRKXYCXXCUXBLT-CYBMUJFWSA-N 386.416 -0.956 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCN(CC2CC2)CC1 1326597151 POSZCDHDRKBYNI-NXVVXOECSA-N 375.429 -0.817 30 20 GBED CN1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 1328533728 RSVITVQPZLVLHZ-KBPBESRZSA-N 395.460 -0.595 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)C[C@H](CO)O1 1348325344 VTKRLYAMYCNISE-ZIAGYGMSSA-N 390.415 -0.046 30 20 GBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1573359965 OASRQQCOOLJZCT-LBPRGKRZSA-N 380.448 -0.892 30 20 GBED C[C@H](C#N)C(=O)N(C)C[C@H](O)CNC(=O)C1(Cc2cnn[nH]2)CCOCC1 1575177868 MQICRNICLUJYAQ-TZMCWYRMSA-N 378.433 -0.761 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCNc1ccc(-c2nn[nH]n2)cn1)[C@@H]1CCCO1 1588328009 WWIHQAQNJYCBEV-OLZOCXBDSA-N 384.400 -0.913 30 20 GBED COCCN(CC#N)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1591422006 PIIPXSBWCLDCHA-NSHDSACASA-N 393.429 -0.468 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(-c2nn[nH]n2)n1 1592677005 PKFABIDUAHWDOK-UHFFFAOYSA-N 399.415 -0.725 30 20 GBED C[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C(=O)O)O1 1599853747 UUJZYFAFGOVRJJ-PWSUYJOCSA-N 381.410 -0.184 30 20 GBED CCN(CC)C(=O)CN1CCCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1604279785 ZTCZXWLNCSYCBR-UHFFFAOYSA-N 384.448 -0.091 30 20 GBED COC(=O)[C@@H]1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C(=O)O)C1 1606404071 ROKDTGAFSKLGSL-ZMHKRQFYSA-N 379.369 -0.232 30 20 GBED N#Cc1ccc(OCC(=O)N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)cc1Br 1630581326 RVYAHEFNEWTZOW-PHIMTYICSA-N 395.213 -0.255 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCNC(=O)C3)CCO2)C1 1778976018 MXPLAKBPFXLYDZ-AVYPCKFXSA-N 393.484 -0.084 30 20 GBED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCCS4(=O)=O)C[C@@H]32)CC1 1786698050 LLXDDXCPSHGZNU-AJNGGQMLSA-N 395.481 -0.153 30 20 GBED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)CN)C[C@@H]32)c1 1790271433 QXGUTRCHVIJKFJ-DKIMLUQUSA-N 385.468 -0.254 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1)C2 1792485497 LEBHNNNFLJPAFE-YSWFFHECSA-N 385.424 -0.462 30 20 GBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3sccn13)C2 1795083654 JQIVWJPCTCBBCG-QHBPRCKVSA-N 387.421 -0.127 30 20 GBED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1800491713 NIGQWGHMIMGZMO-YIYPIFLZSA-N 387.440 -0.009 30 20 GBED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)C(=O)O)C2 1800493526 ULJCPIPDCDCELD-GUIRCDHDSA-N 381.429 -0.669 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)c(F)c1)C2 1800779462 GPQVOYCCCCGHSB-DPIQGUFMSA-N 376.340 -0.178 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1831425324 CDRJWPGEJRTYLS-ACJLOTCBSA-N 394.428 -0.224 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831740796 MOSIJMNLRKEALR-MEDUHNTESA-N 382.442 -0.430 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccon3)CCO2)C1 1834483839 YQISDIJLMIRZGA-KDOFPFPSSA-N 377.397 -0.217 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1834760815 KZXWZHRDTKAPMM-GOSISDBHSA-N 384.396 -0.287 30 20 GBED CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835346910 ZEPQMUJCDLNGLG-GOSISDBHSA-N 378.429 -0.727 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2 1837386161 MQZNCRJQZQLNOD-DNVCBOLYSA-N 394.472 -0.436 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)NCc2ccco2)CC1 264190412 QJCAPGIHGLZLDG-UHFFFAOYSA-N 375.429 -0.638 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 275635874 LCARISOGBNBJDJ-ZDUSSCGKSA-N 398.412 -0.216 30 20 GBED CC(C)NS(=O)(=O)NCCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 277146740 VDUPEROVJGZKDV-UHFFFAOYSA-N 395.489 -0.383 30 20 GBED CC/N=C(/O)N1CCN(C(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 329755782 YHRIBNISVHFCRO-MQLXINIDSA-N 378.429 -0.385 30 20 GBED O=C(Cn1cc(N=C(O)N2CC[C@@H](N3CCOCC3)C2)cn1)N1CCOCC1 330005783 CFQJLISPBTZRQA-MRXNPFEDSA-N 392.460 -0.306 30 20 GBED C[C@@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)Nc1ccc(=O)n(C)c1 349623125 WLUIFNSWDSWGFM-NSHDSACASA-N 376.460 -0.261 30 20 GBED COCCN(CCC#N)S(=O)(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 409557070 PHSGWIODVWABJF-CYBMUJFWSA-N 383.492 -0.771 30 20 GBED Cn1nnc(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)n1 427932166 NDUCCFQSHITWME-UHFFFAOYSA-N 385.775 0.176 30 20 GBED COC[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@H]1CCCO1 435290921 LWIXDGCPUZNSRK-HZPDHXFCSA-N 398.423 0.447 30 20 GBED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(C)c1=O 484590222 KLNHHTOPGAJGOG-UHFFFAOYSA-N 375.479 -0.741 30 20 GBED Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(N)=O)c1=O 524281978 JOXJMQHFYFBKTN-UHFFFAOYSA-N 382.445 -0.515 30 20 GBED N#CCC1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 541953562 NLZSRKUKKKVOAF-UHFFFAOYSA-N 377.489 -0.385 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)ncc1C#N 565180073 OUMTVVSFOOHVCM-LBPRGKRZSA-N 379.442 -0.012 30 20 GBED C[C@@H](O)CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 565230444 RQOXEQGPIWEGNW-GFCCVEGCSA-N 386.455 -0.274 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC3([S@](C)=O)CC3)CC2)c1C#N 580130749 JNPBTUCRSNDZON-MHZLTWQESA-N 392.485 -0.724 30 20 GBED COc1cc(C#N)ccc1NC(=O)C(=O)N(CCN(C)C)CC(=O)N(C)C 595157773 DVOIQHRWLSLNHV-UHFFFAOYSA-N 375.429 -0.016 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 595292205 WVXGOTOZHQGRAI-JKSUJKDBSA-N 399.494 -0.323 30 20 GBED COC(=O)c1cc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)on1 599289957 YNHPJLMLJSRDHX-UHFFFAOYSA-N 394.413 -0.114 30 20 GBED C[C@H](CN1CCN(C)CC1)NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 609311817 XFCGUZPJQGKJJX-OAHLLOKOSA-N 393.513 -0.069 30 20 GBED C=CCn1cc(C(=O)NC[C@H]2CN(C(=O)c3cn(CC=C)nn3)CCN2C)nn1 652497761 GRJZRXIPXPNCNC-AWEZNQCLSA-N 399.459 -0.572 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)NCCO)s1 745147990 BXZWJWSUORJWND-UHFFFAOYSA-N 391.427 -0.813 30 20 GBED N#Cc1ccc(CNC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 745479337 SIIBKUHYCFXKPS-DTTOXWODSA-N 397.387 -0.120 30 20 GBED COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NCC(=O)NCC#N)c1 796217111 KZRDWWHGMQUOLF-SNAWJCMRSA-N 397.409 -0.192 30 20 GBED C#CCNc1nc(N[C@H]2CCCN(C)C2=O)nc(N[C@@H]2CCCN(C)C2=O)n1 804533028 SHDUJVYPKRVKIG-BETUJISGSA-N 386.460 -0.018 30 20 GBED COC[C@](C)(CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)c1cc(C#N)c[nH]1 821680516 LNVMBLWWXBJGTE-KRWDZBQOSA-N 397.399 -0.041 30 20 GBED CN1CC[C@@H](C(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)S1(=O)=O 842771156 HCLQPVJVJBEADE-OLZOCXBDSA-N 380.382 -0.046 30 20 GBED C#CCCNS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC(=O)OC)cc1 848942265 DUSSNKIQQXTPRR-UHFFFAOYSA-N 399.450 -0.325 30 20 GBED C/N=C(/NCCNS(=O)(=O)c1ccc(C)s1)NCCN1CCOCC1 849105242 GTMNHFQNBOYVKV-UHFFFAOYSA-N 389.547 -0.168 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)CC1 872515190 IAIPTKPGPSPHIP-UHFFFAOYSA-N 397.400 -0.122 30 20 GBED C=CCn1cc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nn1 964367014 MKFZGKYQFZJOTK-NHIYQJMISA-N 375.429 -0.011 30 20 GBED N#Cc1cc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)c[nH]1 986675877 GIRACCSBMMGKRV-SHPPOPEUSA-N 385.424 -0.160 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C[C@H]2O)c1 1025554507 LNZRLDBJLVREPF-YFHUEUNASA-N 379.420 -0.098 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(=O)n2C)C1 1025559625 ZYKIHGGKWJKCLL-XOUADPBQSA-N 375.425 -0.332 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn3cc(C)cnc23)C[C@H]1O 1025711514 XJTMCHVWAJXNIF-MIGQKNRLSA-N 385.424 -0.070 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1046708913 VQDASHCJULDVOV-XQLPTFJDSA-N 379.457 -0.619 30 20 GBED C=CCCOCC(=O)N1CCO[C@@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1065278618 MBXDNASNURKTLB-NBOOPKSLSA-N 382.457 -0.026 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCN(CCOCCOC)CC2)CC1 1120473427 LQJGAFNWXIUDDD-UHFFFAOYSA-N 383.489 -0.277 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 1220048515 QZEMWTQYZGDQIE-ANQUJSFKSA-N 388.472 -0.553 30 20 GBED Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cc1 1256967856 UONNOOPHMZKDBQ-MRXNPFEDSA-N 382.417 -0.146 30 20 GBED N#Cc1csc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 1323646780 SRESAFRZDDEYOJ-ZDUSSCGKSA-N 396.494 -0.319 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)C1 1325111030 KADMJOXFIRWXBH-HNAYVOBHSA-N 387.415 -0.179 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)CC1 1325132607 QLRABBMVVJPBKK-MRXNPFEDSA-N 396.451 -0.129 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1327037718 BUERNWVPYOCFLT-SCLBCKFNSA-N 383.412 -0.738 30 20 GBED O=C(NCC#Cc1ccccc1)C(=O)NCCS(=O)(=O)N1CCSCC1 1327380271 YMAIYXSYDPCXRO-UHFFFAOYSA-N 395.506 -0.351 30 20 GBED Cc1cc(C#N)c(=O)n(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 1345931179 QIBQLURPDZCBSN-OAHLLOKOSA-N 378.454 -0.640 30 20 GBED CS(=O)(=O)CCN1CCC(NC(=O)C(=O)NCc2cccc(C#N)c2)CC1 1346189994 NBQJWLFNLIQNNB-UHFFFAOYSA-N 392.481 -0.200 30 20 GBED C=CCCO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[nH]n3)nn2)C1 1573335784 DNQZFXVGBSIRAZ-PXAZEXFGSA-N 388.432 -0.305 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(C)=O 1574955806 WXTQGZQQXAWJFQ-AWEZNQCLSA-N 385.432 -0.487 30 20 GBED C=CCn1cc(C(=O)NC2CCN(C(=O)CCOCc3cnn[nH]3)CC2)nn1 1575111278 BOEJYXNTOMPERN-UHFFFAOYSA-N 388.432 -0.090 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C[C@@H]2O)c1 1581862486 DIFAFQOJVUKANJ-WFASDCNBSA-N 379.384 -0.169 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@H]2C(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 1588358868 VWIMRUAGQLOKNN-SWHYSGLUSA-N 383.412 -0.333 30 20 GBED C#CCOCCN(C)C(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 1588362406 DZJYUGPYGYCCTQ-UHFFFAOYSA-N 377.426 -0.110 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@](O)(C3(C(=O)O)CCC3)C2)C1=O 1588832274 KNYBXKYLFGSNDJ-SFHVURJKSA-N 393.396 -0.428 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC(O)(CNc2cncc(-c3nn[nH]n3)n2)CC1 1602724511 GKNHGOMTXKXPDF-GFCCVEGCSA-N 386.416 -0.540 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 1602803306 KWOZIDIMDXZCLK-LBPRGKRZSA-N 386.416 -0.773 30 20 GBED C=CCn1cc(C(=O)NC[C@H]2CC[C@@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)C2)nn1 1602882564 NHOQMAANLIFANM-NWDGAFQWSA-N 395.431 -0.133 30 20 GBED CN(C[C@@H]1CCCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1)S(C)(=O)=O 1604729745 LZSCUJMAAFMCRO-JTQLQIEISA-N 377.434 -0.364 30 20 GBED N#Cc1ccc(C2(C(=O)NCCn3cc(-c4nn[nH]n4)c(O)nc3=O)CC2)cc1 1606368217 SNROIGONDTUGAH-UHFFFAOYSA-N 392.379 -0.151 30 20 GBED CC(=O)N1CCN(CCn2c(C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1749883688 BXXUPCMECRMIIQ-SFHVURJKSA-N 386.504 -0.073 30 20 GBED CC(=O)N(CC(=O)O)C[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)CCO1 1776201083 IDCPRTFPTVQQDN-GFCCVEGCSA-N 382.398 -0.724 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1778968593 UNHKRXHNJNBBDM-RDTXWAMCSA-N 377.445 -0.168 30 20 GBED NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1783147226 AEAJBFQLANMDRS-HUWVGRHQSA-N 396.444 -0.389 30 20 GBED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1783930538 YPJLVEVTHRQIET-MOPGFXCFSA-N 378.425 -0.155 30 20 GBED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1791285404 VBIJSTFVPYQYPT-NUXNZHGMSA-N 381.429 -0.114 30 20 GBED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1793379793 APTIHKUZSUOWKL-JLUCKKNBSA-N 398.485 -0.918 30 20 GBED Cn1ncnc1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1805281719 BGEPGECPOYAKKH-XJKSGUPXSA-N 382.380 -0.382 30 20 GBED Cc1nn[nH]c1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1807806703 WPAFOYTZHMLARK-GUYCJALGSA-N 382.380 -0.084 30 20 GBED C[C@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834755858 FDHSUIQLIAMGLY-QAPCUYQASA-N 375.429 -0.111 30 20 GBED CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1834778161 TYLPRDOYRNJNPC-OAJDRMGVSA-N 386.470 -0.120 30 20 GBED CSCC[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835347943 KXIBTLZDLRCXQF-KBXCAEBGSA-N 397.497 -0.139 30 20 GBED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835352438 ZOQAIGZTZXFJSS-QAPCUYQASA-N 380.445 -0.339 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)CNC3=O)CCO2 1837153220 OAMPQJWWPFUZDB-HXUWFJFHSA-N 383.404 -0.367 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1840164528 MZTRBQDOJLYJPC-NHYWBVRUSA-N 392.499 -0.421 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NC(C)=O)C2)C1 1840840703 IPTIMBCATDSQLN-IBGZPJMESA-N 379.457 -0.229 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)C1=NN(C)C(=O)CC1)C2 1841054165 SAZJSEXIBOCLFL-VURMDHGXSA-N 387.440 -0.344 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)Cc2ccc(C(=O)NC)cc2)c1=O 8188928 QVYNEOXYPNMQDC-UHFFFAOYSA-N 399.451 -0.007 30 20 GBED N#C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 264386184 MGQZLTUPVLVDKA-LBPRGKRZSA-N 383.386 -0.193 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCOC 275315278 NWOAABSETFJLIY-UHFFFAOYSA-N 388.424 -0.031 30 20 GBED C=CCN1CC[C@H](N(C)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1=O 281502735 YCYAWJXOGSBYPJ-INIZCTEOSA-N 392.481 -0.058 30 20 GBED C#CCN(CC#N)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 281962189 KNMTWMMXAJRUHV-OCCSQVGLSA-N 392.393 -0.296 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N(CCO)CC(F)F)C2=O)cc1 288593590 MBRRVLUFBCWZIL-CQSZACIVSA-N 394.378 -0.139 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cccc(C#N)n2)C[C@@H]1O 349523082 LGEUTSCMYGMAQA-AAEUAGOBSA-N 388.471 -0.273 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CCN(C2CCCC2)CC1 349531373 HZZFCMQUSPBHBS-UHFFFAOYSA-N 378.520 -0.291 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)c1C#N 349581054 VTLZOWXBJAZVAE-JTQLQIEISA-N 377.448 -0.570 30 20 GBED CCn1[nH]c(C)nc1=NS(=O)(=O)CCCCS(=O)(=O)N1CC(C#N)C1 349601819 PCTAPNNXUZMWGO-UHFFFAOYSA-N 390.491 -0.665 30 20 GBED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(CCS(N)(=O)=O)CC1 464430409 ZADOPAFWVOMHQJ-UHFFFAOYSA-N 388.471 -0.838 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1C[C@@H](O)COc1ccc(C#N)cc1 497574747 KZKBOLACALQRLY-NVXWUHKLSA-N 391.424 -0.322 30 20 GBED CN(C)S(=O)(=O)C[C@@H](NC(=O)NCCn1cnc(C#N)n1)C(F)(F)F 558121872 FJXBJOKDNJVCKS-MRVPVSSYSA-N 383.356 -0.729 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](O)C2CC2)cc1 576887602 LASURODSTHMRRQ-HNNXBMFYSA-N 398.466 -0.226 30 20 GBED C[C@H]1[C@@H](C)N(C)CCN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N 581618259 WBHLFUANMRBNEY-OLZOCXBDSA-N 380.536 -0.048 30 20 GBED Cc1cc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ncn1 588233538 JQPRJYRDYQUFAF-UHFFFAOYSA-N 382.428 -0.336 30 20 GBED CN1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)[C@@H](CN)C1 591582528 AWIMXVWWVNGXMB-MSOLQXFVSA-N 384.484 -0.676 30 20 GBED COC(=O)[C@H]1CNCCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 592549714 BIQNWRUHCKUETG-CQSZACIVSA-N 380.426 -0.800 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC2)nc1 595266547 UFKKAIGSUCOMIM-HZPDHXFCSA-N 383.456 -0.125 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2cnccc2C#N)CC1 596749331 QSGZEFFLGYGDCB-UKRRQHHQSA-N 379.442 -0.403 30 20 GBED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N(C)CCCc1[nH]nc(N)c1C#N 611405942 MZUBVBPVOWVIPA-AWEZNQCLSA-N 375.433 -0.618 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 625044932 WMBHNQXCSOWCLH-UHFFFAOYSA-N 396.447 -0.045 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CCOCCOC)CC1 653430399 CZTWYBMHMJZUJH-DLBZAZTESA-N 383.489 -0.109 30 20 GBED Cc1nc(S(=O)(=O)NCCC(=O)NCCNc2ncccc2C#N)cn1C 750668144 NYWGVGGGJVTBCK-UHFFFAOYSA-N 391.457 -0.108 30 20 GBED C[C@H](CNC(=O)C(=O)NCCNc1ccc(C#N)cn1)CN1CCN(C)CC1 790196633 SXZUNNKESKSQGT-OAHLLOKOSA-N 387.488 -0.519 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCCNS(=O)(=O)Cc2ccccc2)CCO1 800007304 IGCHNBJDOPAPPD-AWEZNQCLSA-N 388.471 -0.835 30 20 GBED C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 808177686 WNEAZCANCXNGFJ-BBRMVZONSA-N 397.435 -0.141 30 20 GBED C=C[C@H](O)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 814548220 QYIAMJIUFLBNNJ-AWEZNQCLSA-N 384.410 -0.264 30 20 GBED Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3CCOC[C@@H]3C#N)CC2)o1 822423136 HVISVRNSTYJXEK-LBPRGKRZSA-N 387.404 -0.964 30 20 GBED C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1nc(SC)n[nH]1 848960459 BGYPSIDLYPGTAX-VIFPVBQESA-N 381.505 -0.058 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 875121218 QXANMVGTYBUHLZ-CRAIPNDOSA-N 383.514 -0.145 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2OC)c1 946644214 SLCYBWXSVCOSLB-QKPAOTATSA-N 386.408 -0.949 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 970293849 ZGHGMAYVLDZFLL-IRWJRLHMSA-N 375.425 -0.034 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cnn(-c3ccc(O)nn3)c2C)CC1 1115994181 RUAYSWVQMMRFKI-UHFFFAOYSA-N 397.439 -0.426 30 20 GBED Cc1cc(CN2CCN(C(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)no1 1118944540 JRSIXFPKWGKWIU-QGZVFWFLSA-N 386.456 -0.174 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)CC2)nc1 1258048225 VTZBNBHEOZJYBW-OAHLLOKOSA-N 396.451 -0.082 30 20 GBED C=CC[C@@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)OCC 1320420418 ORTOPXOJUFJKJX-WCQYABFASA-N 385.442 -0.224 30 20 GBED COCCOC[C@H](C)NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1323234229 UWDNQSRGSFVTBY-AWEZNQCLSA-N 375.429 -0.230 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@@](O)(C2CC2)C1 1325112169 QCWHFTFWPZOMBZ-YJYMSZOUSA-N 384.440 -0.241 30 20 GBED CN(CCn1cc(Br)cn1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326232387 ZLRRQAFCBSSOMQ-AWEZNQCLSA-N 384.234 -0.019 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(Cc2nc(C)c(C)o2)CC1 1327403769 MQRSHJWRGMMRHP-UHFFFAOYSA-N 398.485 -0.347 30 20 GBED COCCN1CCN(c2nnc(C[C@H](O)CC#N)n2C[C@H]2CCOC2)CC1 1526219558 OXJUSQFROQPEHN-HZPDHXFCSA-N 378.477 -0.100 30 20 GBED C#Cc1ccc(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)cn1 1573286968 DFFOSYGBWDLVAV-AWEZNQCLSA-N 391.395 -0.332 30 20 GBED N#Cc1ccc(N2C[C@@H](C(=O)N3CCS(=O)(=O)C[C@@H]3C(=O)O)CC2=O)cc1 1574489043 XPGKFGAQTJSWGT-GXTWGEPZSA-N 391.405 -0.379 30 20 GBED C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(=O)OC)[C@H](CN)C1 1574843153 DRDSULIMGLRLKM-BFHYXJOUSA-N 397.501 -0.060 30 20 GBED C[C@@H]1C[C@H](NCC(=O)NCC#N)CN1C(=O)C1CCN(Cc2cnn[nH]2)CC1 1576054680 DCDSKCGXLOEUHE-HIFRSBDPSA-N 388.476 -0.765 30 20 GBED N#Cc1cn(CCC(=O)N2Cc3ccc(-c4nn[nH]n4)cc3C2)c(=O)nc1O 1581876741 FQBOLUPDMWFVDL-UHFFFAOYSA-N 378.352 -0.067 30 20 GBED C#CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1)C(=O)OC 1588334247 RETHPNPFVARVEI-OCCSQVGLSA-N 382.380 -0.099 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2C(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H]2C1 1588359217 ZPFGQGUUKRZZLH-RAIGVLPGSA-N 383.412 -0.333 30 20 GBED C#Cc1ccc(C(=O)N(C)C[C@@H](O)CNc2cnc(-c3nn[nH]n3)cn2)cn1 1588364597 GZHXTFNNPCEKHM-ZDUSSCGKSA-N 379.384 -0.422 30 20 GBED C=CCn1c(-c2cc(-c3nn[nH]n3)cn2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1588697297 UREROYQTKHEGQY-GFCCVEGCSA-N 395.431 -0.137 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(C(=O)O)c(OC)c2)C1=O 1588832100 AVGLGJMNIMLPRN-UHFFFAOYSA-N 375.337 -0.014 30 20 GBED N#Cc1nc(NCCNS(=O)(=O)c2cccs2)cnc1-c1nn[nH]n1 1606392806 DZCDRHSODQBJNA-UHFFFAOYSA-N 377.415 -0.020 30 20 GBED CS(=O)(=O)N1CCN(CC(=O)OCC#Cc2cccc(C(=O)O)c2)CC1 1607372621 JPGGLQNJSVEKRK-UHFFFAOYSA-N 380.422 -0.143 30 20 GBED C#CCN(C(=O)C(=O)Nc1cccc(CC(=O)O)c1)[C@H]1CCS(=O)(=O)C1 1609137365 PKMDJZONOQOAHM-AWEZNQCLSA-N 378.406 -0.099 30 20 GBED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2 1779106231 YSMORIAMEVYFKM-BEQSYLMMSA-N 392.456 -0.127 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1779316701 FUNBCLYWBOZARR-APWZRJJASA-N 379.457 -0.229 30 20 GBED CNC(=S)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1779377239 PHVYOTSGMHRTPO-CXAGYDPISA-N 381.502 -0.102 30 20 GBED C[C@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1781248244 UOTWDENSEVRFDS-WLJAYZHCSA-N 379.461 -0.578 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1781400175 JAKDBXOOEIFLRL-CJNGLKHVSA-N 379.421 -0.696 30 20 GBED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21)c1cc(O)nc(O)n1 1787435766 RNRAVXBTACHMQV-YDHLFZDLSA-N 386.408 -0.106 30 20 GBED CCn1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc1C 1791076847 JSKJCOSPDUNFMX-DZKIICNBSA-N 388.424 -0.107 30 20 GBED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1791260241 OLNWIDMDISBFKP-RHYQMDGZSA-N 395.418 -0.991 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1=O)C2 1797708431 YJKQEDCNEGBVEA-BASYENTBSA-N 393.484 -0.229 30 20 GBED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2)n1cnnn1 1801437559 HRAWEQHBIWFUIY-DNVSUFBTSA-N 384.400 -0.663 30 20 GBED N#CCC(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1806280123 HKOJHMXPWFKBIN-ZENOOKHLSA-N 384.396 -0.401 30 20 GBED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)[C@H]2c2cccnc2)CC1 1806846926 HXAOLNVPUKRFGL-ZOBUZTSGSA-N 398.467 -0.016 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829865826 APOQAPVZAWVCEE-XLIONFOSSA-N 393.484 -0.423 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831221686 YQYBORAEBZQIOX-LIRRHRJNSA-N 377.441 -0.619 30 20 GBED Cc1occc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834142558 BQRKVKDZSOJQSJ-SFHVURJKSA-N 376.365 -0.254 30 20 GBED Cc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041632 YSUOENDWRLFIBS-QGZVFWFLSA-N 377.353 -0.859 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840156931 YLLHFAFIJFMCTR-JNJICJOQSA-N 397.497 -0.381 30 20 GBED C/N=C(/NCC1(CS(C)(=O)=O)CC1)N1CCN(c2cnn(C)c2)C(=O)C1 261841058 WIIFEWDMUGNBPA-UHFFFAOYSA-N 382.490 -0.531 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)CCCOC)CC1 269295190 WNIXQIVQXXIFBF-ZDUSSCGKSA-N 376.479 -0.629 30 20 GBED C=CCS(=O)(=O)CCNC(=O)c1cccc(S(=O)(=O)NCCOC)c1 273011396 BCFNTVRQSHDFKS-UHFFFAOYSA-N 390.483 -0.058 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2ccccn2)CC1 282880816 PUDMKMHCNUIRFF-UHFFFAOYSA-N 381.458 -0.054 30 20 GBED CNS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)CC1 298008249 AUCCWNGLJIHWKE-UHFFFAOYSA-N 379.442 -0.150 30 20 GBED CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2CCCN2/C(O)=N/C(C)C)CC1 330955401 BKQINDMBUFOTAI-HNNXBMFYSA-N 381.477 -0.030 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)C(=O)[C@H]1C 349504305 MLXGMTLDDYKMGT-NWDGAFQWSA-N 380.492 -0.958 30 20 GBED C=CCCS(=O)(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 408334796 CMNSPVLGYRWJGC-KBPBESRZSA-N 381.520 -0.136 30 20 GBED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC1 422484431 ZWHHXWBRGOXLPY-OAHLLOKOSA-N 393.488 -0.566 30 20 GBED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C#N)o2)c1=O 440380765 PCYYHEIJGLKTCP-UHFFFAOYSA-N 396.428 -0.078 30 20 GBED CNC(=O)N[C@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 459865261 LMCSTJRSQWNDJJ-KRWDZBQOSA-N 398.467 -0.268 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@H]34)CC2)nc1 502276620 LMDYGZVBVKIZQA-JKSUJKDBSA-N 396.451 -0.129 30 20 GBED C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NCC(=O)NCC#N)CC2)C1 511917837 ABMYFCLVVDDPEU-CABCVRRESA-N 378.477 -0.352 30 20 GBED C=CCn1cc(CNC(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)nn1 568743378 LWCRFSGSCUFZHI-CQSZACIVSA-N 385.494 -0.076 30 20 GBED C[C@H]1C(=O)NCCCN1S(=O)(=O)CCCCS(=O)(=O)NC(C)(C)C#N 573459178 VFWMJXZOMJIFPG-LBPRGKRZSA-N 394.519 -0.472 30 20 GBED COCCOCCN1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 593118193 SWAYGRSYJZFQGE-LJQANCHMSA-N 395.548 -0.041 30 20 GBED CN1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(CC#N)CC#N)c2)CC1=O 594630729 SJCXJUMIFKQLNH-UHFFFAOYSA-N 397.438 -0.855 30 20 GBED Cc1nc(=NS(=O)(=O)c2ccccc2S(=O)(=O)N[C@@H](C)CC#N)n(C)[nH]1 594634437 QUGJFPTVLDACCC-JTQLQIEISA-N 398.470 -0.073 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CC1 597688594 CXIRNPILIQIWHK-AWEZNQCLSA-N 378.458 -0.483 30 20 GBED C=C(CNS(=O)(=O)N(C)CC1CC1)CNS(=O)(=O)N(C)CC1CC1 660129565 RPFODUJIIVJVTL-UHFFFAOYSA-N 380.536 -0.105 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)CC1 735380493 HYESHQZEKGBQMH-UHFFFAOYSA-N 382.428 -0.828 30 20 GBED C#CCNS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 761037269 OCKWAMMQDLBFTN-UHFFFAOYSA-N 386.499 -0.950 30 20 GBED C[C@@H](CC(=O)NCCN1CCNC(=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 781412128 LXGIMFSSYCTHQP-LBPRGKRZSA-N 393.469 -0.948 30 20 GBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O 799284344 DKNQESSMHJKXQB-GFCCVEGCSA-N 379.438 -0.162 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 807073052 AWIAZCVHACAMCJ-LBPRGKRZSA-N 385.417 -0.095 30 20 GBED NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N[C@H]3CCCN(O)C3=O)CC2=O)c1 820476215 JSFPSHLDSQCWGP-GWCFXTLKSA-N 396.425 -0.817 30 20 GBED CN1C(=O)CS/C1=C/C(=O)NCC#CCNC(=O)/C=C1/SCC(=O)N1C 821823681 OQJZVVCMFVNBKR-BGPOSVGRSA-N 394.478 -0.685 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2c(CC)nn(C)c2CC)CC1 831569145 YZSWRCSMXZKEOT-UHFFFAOYSA-N 381.502 -0.301 30 20 GBED N#CCN(CC(=O)O)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 833066995 MZJPBTDVXBQWNR-UHFFFAOYSA-N 396.425 -0.444 30 20 GBED C#CCCN(CCOC)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 852751278 VPAQTNOJJXYLNE-UHFFFAOYSA-N 385.472 -0.016 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](OC)C1 942522244 UZFIJFVJSHIPSG-DMRZNYOFSA-N 390.440 -0.283 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(=O)Nc2cc(C)on2)C[C@@H]1O 964503332 KXSXANLOCGQYOE-XFMPKHEZSA-N 392.412 -0.409 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cccc(=O)n2C)C1 970425213 NKRNAVOZBPMUKZ-YXPYIKCWSA-N 375.425 -0.332 30 20 GBED C=CCn1cc(C(=O)NCC2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)nn1 1001962117 YSHYMGZLTSDQNB-OFQRWUPVSA-N 375.429 -0.296 30 20 GBED C=CCn1cc(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)nn1 1057625286 AWDWRTNIPLHYJV-WALBABNVSA-N 375.429 -0.562 30 20 GBED CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110116516 PWZYDTJPUNYXNL-UGUYLWEFSA-N 375.473 -0.005 30 20 GBED N#C[C@@H]1CNC[C@H]1NC(=O)c1cc(S(N)(=O)=O)c(Br)s1 1118270072 UJMMJUVSEFNSRH-PHDIDXHHSA-N 379.261 -0.001 30 20 GBED Cn1nccc1[C@@H](O)C1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1118824104 WQMCMSNIEMZTGQ-YJBOKZPZSA-N 375.429 -0.431 30 20 GBED Cc1ccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1S(C)(=O)=O 1122497611 ZKSARZUCDWXYAM-ZDUSSCGKSA-N 398.462 -0.022 30 20 GBED CC(C)C(=O)NCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1329417466 BEITWOBXQIDMMY-INIZCTEOSA-N 399.451 -0.336 30 20 GBED C#C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 1338694110 QPAMMBYLSCFJPW-LBPRGKRZSA-N 379.442 -0.760 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 1342103540 MJMNZSPJVCDTAL-HNNXBMFYSA-N 383.470 -0.924 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCCN(C(=O)OC)C2)CC1 1345549493 VHZZCBMHNGWQSA-AWEZNQCLSA-N 378.429 -0.679 30 20 GBED CN1CCN(C[C@H](NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)c2ccccc2)CC1 1345839962 KWZNDDQAAPDVJO-GHTZIAJQSA-N 399.495 -0.032 30 20 GBED CC(C)CC(=O)N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1348536148 RHZWHQNDBUVUSC-MRXNPFEDSA-N 375.473 -0.098 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2cc(C)ncc2-c2nn[nH]n2)C1 1573286835 IUZJKNOOKRJLBC-SCLBCKFNSA-N 385.428 -0.334 30 20 GBED C=C(C)Cn1c([C@@H]2COCCN2)nnc1N1CCN(CC(=O)N(C)C)CC1 1574844250 LSCHKRLTCUGIEM-HNNXBMFYSA-N 377.493 -0.275 30 20 GBED CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1579863585 KCWDPBXXYOFTEE-CHWSQXEVSA-N 380.372 -0.510 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](C)C1 1588351159 HAQCMSWMRBVBSR-WQVCFCJDSA-N 396.455 -0.131 30 20 GBED C=CCCO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[nH]n3)n2)C1 1588608387 LHJXQGYLLLTMFO-YVEFUNNKSA-N 388.432 -0.305 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(NC[C@H](O)CN(C)C(=O)CSCC#N)n1 1591895821 HYTCDHLRWZNBDO-JTQLQIEISA-N 377.434 -0.547 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](Cc1cncs1)C(=O)O 1601326804 UKNMIAVLCLIAAC-LLVKDONJSA-N 394.434 -0.006 30 20 GBED C#CCN1CCN(C(=O)CN2CCN(c3cccc(-c4nn[nH]n4)n3)CC2)CC1 1609021069 ARYPCMMJLAOAQU-UHFFFAOYSA-N 395.471 -0.839 30 20 GBED Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1742835634 PFKCTBJTZDKFNS-ZBFHGGJFSA-N 380.474 -0.687 30 20 GBED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)N1C[C@H]2C[C@H]2C1 1778862229 AAZQVIDYCQJACF-BKEDOTJMSA-N 375.425 -0.756 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1778980723 ZLFXSMTYTHVVTQ-LIRRHRJNSA-N 390.440 -0.214 30 20 GBED CCOc1ccc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nn1 1780429609 UQPYJTAZTILGAO-SFHVURJKSA-N 388.380 -0.593 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@H](O)CN2)C1 1780597274 PPYYOOBNJPJKSN-RXBWTVHKSA-N 395.500 -0.186 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ncn3)C[C@@H]21 1784477646 HEPWKOTZQHLMCA-YXWQFLTLSA-N 388.424 -0.186 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC)NC(N)=O)[C@H]2C1 1787405384 NBAIEBSODCOEQE-CWVYHPPDSA-N 394.472 -0.549 30 20 GBED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C 1792625114 KLNKATBTCWABSR-AYRXBEOTSA-N 386.518 -0.198 30 20 GBED C/C(=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N)C(=O)O 1795602651 VQCXODHTAZUFMK-AXBXEBQCSA-N 392.456 -0.111 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@@H](N)C(N)=O 1796079975 DIZQOQZQQLQVHL-LXTVHRRPSA-N 392.504 -0.501 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ncccn1)C2 1800776228 XKQSGMAZFDQGAF-DRXBFXEBSA-N 390.421 -0.754 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncccn3n1)C2 1800777131 GKNPAJKZXZJHCZ-DPIQGUFMSA-N 383.364 -0.980 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1830064489 MCFKSCFAYQVMFM-GOSISDBHSA-N 390.444 -0.326 30 20 GBED CN1CCCC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830762386 HAOJWNYEHNKGIW-BEFAXECRSA-N 393.440 -0.985 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncn3)C2)C1 1831391671 FDWRPRHPSHWODY-DNVCBOLYSA-N 388.424 -0.415 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1831393919 RSLYCYVSHPUWHR-FZKQIMNGSA-N 392.412 -0.776 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(C)C)C2)C1 1831401555 BQQHVVPOKJPLNE-FXAWDEMLSA-N 395.500 -0.179 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1831488077 VISWYCLSOYGRBP-RDJZCZTQSA-N 397.501 -0.311 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)c1ccco1)CCO2 1832668041 PMBAUUYLRSHMSJ-SFHVURJKSA-N 390.348 -0.993 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834848651 YQLLXKPSOJSOAY-KXBFYZLASA-N 396.440 -0.566 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839808652 WNCPFNSPUNELAD-RIYWLQNKSA-N 379.413 -0.395 30 20 GBED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1841745643 NOKISDSMIAEUPN-GFCCVEGCSA-N 383.445 -0.030 30 20 GBED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)C[C@H]3NC(=O)NC3=O)C2)c1 1841961429 VMNXTCVEBBEYKT-CQSZACIVSA-N 381.392 -0.027 30 20 GBED O=C1NC[C@@H](C(=O)N2CC3(CCCN3C(=O)C#CC3(O)CCCCC3)C2)O1 1844282045 VDYROMMZOWNQEO-AWEZNQCLSA-N 375.425 -0.003 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)Cc2ccc(O)cc2)CC1 272615742 PESBJRJQRDCZBK-UHFFFAOYSA-N 386.452 -0.665 30 20 GBED Cn1c(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)c(C#N)c(=O)n(C)c1=O 273197283 NQIOYHMDHFDSQW-CYBMUJFWSA-N 395.485 -0.214 30 20 GBED CS(=O)(=O)NC[C@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 290069804 VYMABOICKDBIAN-CQSZACIVSA-N 386.499 -0.012 30 20 GBED CC(=O)N1CCN(C(=O)CC/N=C(/O)N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)CC1 329641453 CPCJBTLBDGENDP-STQMWFEESA-N 388.490 -0.511 30 20 GBED COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C#N)ccc1OC 419836325 VSRGRUFHLDPQKS-ZDUSSCGKSA-N 388.380 -0.214 30 20 GBED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCC1CCN(CC#N)CC1 476121600 ORJASMBLJDIWKQ-SFHVURJKSA-N 391.472 -0.046 30 20 GBED C[C@@H]1CC(=O)C[C@H](C(=O)N2CC(O)(CC#N)C2)[C@H]1C(=O)N1CC(O)(CC#N)C1 476815710 HKDFMCXXKQRXLB-SNPRPXQTSA-N 388.424 -0.808 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)C1=O 499119926 GEBOWGGQIGILDG-UHFFFAOYSA-N 396.381 -0.742 30 20 GBED N#CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 511906225 NSYQODHWLQBDCY-UHFFFAOYSA-N 399.860 -0.004 30 20 GBED COC(=O)Cn1cc(CNC(=O)N2CCN(c3cnccc3C#N)CC2)nn1 573752331 MGMMRIOKAHXCMJ-UHFFFAOYSA-N 384.400 -0.250 30 20 GBED CC(C)NC(=O)CN1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 588955654 CIWVAJRDBURACD-UHFFFAOYSA-N 379.486 -0.131 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCCO2)s1 594637159 VQOADVGNUDWHFN-SNVBAGLBSA-N 394.500 0.245 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)s1 594640168 FJQFLPWTTHOSNG-VIFPVBQESA-N 380.473 -0.145 30 20 GBED CC#CC[C@@H](CO)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 649192390 GVNOGNGLXZTBBY-AWEZNQCLSA-N 381.454 -0.443 30 20 GBED C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 668883251 JUDDMLZPGHRDNN-HIFRSBDPSA-N 382.438 -0.204 30 20 GBED CC(C)(O)CN1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 730083026 SDHFYVTYWLGKFB-UHFFFAOYSA-N 380.470 -0.360 30 20 GBED Cn1c(=O)n(CC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c2ccccc21 732910637 SSVDJCHZTDFHJP-GFCCVEGCSA-N 390.421 -0.694 30 20 GBED Cc1c(C(=O)OCC(=O)N(C)C(C)(C)C#N)cnc2c1c(=O)n(C)c(=O)n2C 748417040 KWUUHJLPHWIEFV-UHFFFAOYSA-N 387.396 -0.142 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NC[C@@H]2CCCO2)c1 769827486 ABPMIHXGIOWRLW-ZDUSSCGKSA-N 381.410 -0.325 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2c(c1)OCCO2 771888441 CFESIAIAFOGYNB-UHFFFAOYSA-N 394.409 -0.442 30 20 GBED CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2nnn(C)n2)C1=O 783007715 KVJQQYZCDJGZIN-OHEASWGXSA-N 388.457 -0.216 30 20 GBED C=CCN1CC[C@@H](OC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1=O 798656123 QJDLRCGZDSYHMS-PXAZEXFGSA-N 379.413 -0.068 30 20 GBED C[C@H](C(=O)NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)n1cnc(C#N)n1 798858403 NKGSLJHBWQRWFI-MRVPVSSYSA-N 388.365 -0.558 30 20 GBED C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCO2)CC1 802689411 OFOAXXJPCSPMCA-CABCVRRESA-N 396.517 -0.178 30 20 GBED Cc1ncc2c(n1)CCC[C@@H]2NS(=O)(=O)CCCS(=O)(=O)NCC#N 848966755 ZRGKFOLGUDKMBF-AWEZNQCLSA-N 387.487 -0.085 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Cn2ccc(Br)cc2=O)CC1 865157024 OHHCQIPLRAEAOF-UHFFFAOYSA-N 395.257 -0.496 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)[C@@H]2CCCN2CC#C)CCO1 871462829 VRUACUVITRHQDP-FHWLQOOXSA-N 386.496 -0.475 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cn3ccsc3n2)CC1 891643223 AEKUJSDZYLDANA-UHFFFAOYSA-N 382.471 -0.309 30 20 GBED C#CCSCC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 895670892 HVPOTECVUCJNSR-OKILXGFUSA-N 375.516 -0.149 30 20 GBED O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2cccc(C#CCO)c2)CC1 900283978 YHJMXARQZZONHR-UHFFFAOYSA-N 383.404 -0.536 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cnc3[nH]nnc3c2)[C@H](OC)C1 942207344 GGSLMXARFQPZEI-REBRKWNGSA-N 386.412 -0.100 30 20 GBED C#Cc1ccc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H]4OCCO[C@H]4C)C[C@@H]32)nc1 960701923 BMPDUJXTXUDQMG-RUGDWHBFSA-N 385.420 -0.081 30 20 GBED NS(=O)(=O)c1n[nH]cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 1000184212 OYPVGAQDQMVSKD-WXHSDQCUSA-N 377.426 -0.668 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3nn[nH]c3n2)C1 1024215335 SYZIJWLGWFNDOF-QOWREQOWSA-N 386.412 -0.364 30 20 GBED CCc1nc(C#N)cc(N2C[C@@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@@H]3C2)n1 1040821693 DIMWFQXPYBNUOP-PMOUVXMZSA-N 384.440 -0.019 30 20 GBED N#Cc1cncc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)n1 1043836599 LOPWDIAWKCKGHC-KISBBLTOSA-N 385.424 -0.184 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCC(=O)NCCCOC 1109959763 ZZXDNIHKIOTXCR-PMPSAXMXSA-N 378.473 -0.610 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)CC 1110397761 YHHMPZJAXMSHIP-DGAVXFQQSA-N 379.461 -0.366 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@H]1CCNC1=O 1110658073 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CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H](C(N)=O)c1ccc(C#N)cc1 1323164468 LUZPRCQHXMOOHP-GOEBONIOSA-N 378.454 -0.290 30 20 GBED Cc1nn(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)c(=O)c(C#N)c1C 1323413672 QSBSWQVEEJVZOW-UHFFFAOYSA-N 383.474 -0.092 30 20 GBED CC[C@@H](NC(=O)C(=O)NCc1cccc(OCC#N)c1)C(=O)N1CCOCC1 1323494424 KOPKBVBSSBLEDE-MRXNPFEDSA-N 388.424 -0.041 30 20 GBED C#CCSCCNC(=O)C(=O)NCC1(N2CCOCC2)CC(OCC)C1 1323842461 LEIDGJILVAWSQK-UHFFFAOYSA-N 383.514 -0.145 30 20 GBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 1325961645 OTEFPHWSEMUXJH-GOEBONIOSA-N 397.435 -0.317 30 20 GBED C=C(Br)CNC(=O)C(=O)NC1CCN(S(=O)(=O)CC)CC1 1327926314 AAFZIKSPKCVVSD-UHFFFAOYSA-N 382.280 -0.059 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 1347037649 ASZXJBJMMXMODU-OLZOCXBDSA-N 390.400 -0.313 30 20 GBED C#CCNC(=O)[C@H](C)NC[C@@H](C1CC1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573285446 IEXLTNMYTLBVJQ-NHYWBVRUSA-N 384.444 -0.227 30 20 GBED C#CCNC(=O)[C@@H](C)N1CCCO[C@@H](CNC(=O)CCOCc2cnn[nH]2)C1 1574986096 RNZLOUVMFBSTPP-ZBFHGGJFSA-N 392.460 -0.944 30 20 GBED N#CCCN(Cc1cccnc1)C(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O 1581857777 JAARORPHMLPGBT-UHFFFAOYSA-N 381.356 -0.534 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3nn[nH]n3)ccc2C)CC1 1588353889 KRLKVPVOZXZWOF-UHFFFAOYSA-N 389.441 -0.599 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)c(C)n2)C[C@H]1OC 1588357964 RJQLIBLXKLYGPS-BPLDGKMQSA-N 385.428 -0.072 30 20 GBED C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)NCC(=O)O)s1 1588847940 VBHKBEGXMHDQHJ-UHFFFAOYSA-N 375.428 -0.928 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(-c3nn[nH]n3)n2)CCO1 1592672485 KCXPHZUJAAMKSG-SNVBAGLBSA-N 394.355 -0.863 30 20 GBED C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1750071134 WKRZUXCGVZVBHD-MLGOLLRUSA-N 391.457 -0.119 30 20 GBED O=C1NC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)O1 1779015286 UISUDZFHELZCQG-LKERYGQTSA-N 393.444 -0.604 30 20 GBED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3ncon3)C2)C1 1779870166 NJEJVLAKKSPBIX-OXNWSPOFSA-N 376.417 -0.015 30 20 GBED COCCn1nccc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561689 GFSGDQHGYVOFQD-GOSISDBHSA-N 390.396 -0.939 30 20 GBED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1783683398 ZABQFDNIUGIPML-YHUYYLMFSA-N 394.472 -0.834 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(N)=O)[C@H]2C1 1790851967 HZPBBLGDZVTZSB-ZQDZILKHSA-N 381.473 -0.195 30 20 GBED CN(C)C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792556945 BFHDMAIKGMDDMV-ALXJQNPVSA-N 384.436 -0.221 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1NC(=O)NC1=O 1794205292 JJBFKSZQLFVXPD-PDWCTOEPSA-N 378.429 -0.186 30 20 GBED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N)[C@H]1SC(=N)NC1=O 1795418441 RTWRXUSSGIAWCS-CVNCSBKSSA-N 393.469 -0.318 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 1795468509 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COCCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)NC(C)C)CC1 409557390 YVECGYQQFOGHAV-UHFFFAOYSA-N 375.495 -0.765 30 20 GBED CCCN1C[C@@H](CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1=O 422609577 XBMIVWUNRLCXBP-MRXNPFEDSA-N 398.467 -0.023 30 20 GBED N#Cc1ccc(F)c(CS(=O)(=O)N2Cc3nnc(O)n3C[C@H]2C(=O)O)c1 424394393 SUECRBKQIYNSGG-NSHDSACASA-N 381.345 -0.207 30 20 GBED COc1ccnc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n1 425901906 UEVDMWGHCBRFGN-UHFFFAOYSA-N 398.427 -0.636 30 20 GBED CNC(=O)N[C@H]1CCN(c2ccc(C#N)c(N3CC[C@@H](NC(=O)NC)C3)n2)C1 436342625 WZNUBQKPBYOSQZ-UONOGXRCSA-N 386.460 -0.031 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(C#N)c(C)c1 443882520 JPBUJXOYXODMLR-HNNXBMFYSA-N 395.437 -0.065 30 20 GBED COCCN(CC(=O)N(C)C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 467141780 ZHDVJSLDZCOSIU-UHFFFAOYSA-N 392.460 -0.460 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)C1=O 478778012 QKLXOJLHOTWIGG-OAHLLOKOSA-N 388.424 -0.588 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C2CC2)C(=O)C1 516088450 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C=CCNC(=O)NC(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 725956177 MRQRMBLSOOVDPM-KBPBESRZSA-N 393.371 -0.044 30 20 GBED COCCN1C(=O)c2ccc(C(=O)OCC(=O)NCC#N)cc2S1(=O)=O 731242842 PYNLJMFYTZVMTB-UHFFFAOYSA-N 381.366 -0.726 30 20 GBED CCOC(=O)N1CCC[C@H](C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 732908191 HUFDPQMNQJVBMR-STQMWFEESA-N 385.442 -0.179 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cc(C)c3c(O)nc(O)nc3n2)CC1 746214903 GBLOAOJYIIKZCQ-UHFFFAOYSA-N 384.396 -0.748 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 761022744 DCTXEOPADFSGLR-UHFFFAOYSA-N 395.441 -0.073 30 20 GBED C[C@@H](CC(=O)NCc1cc(C(N)=O)no1)/N=C1/NS(=O)(=O)c2ccccc21 769199216 CCCWJMBLUDRUED-VIFPVBQESA-N 391.409 -0.093 30 20 GBED CCCCCCCCNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 774774635 ZIHRNJGOSLWXMU-UHFFFAOYSA-N 379.465 -0.179 30 20 GBED C#C[C@@H](NC(=O)C(=O)NC1CCN(S(=O)(=O)CCC)CC1)[C@H]1CCCO1 787093563 LOCOLLUKDZVUBN-HUUCEWRRSA-N 385.486 -0.396 30 20 GBED C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(=O)NC1CC1 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C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 972608180 RLGOBDKDVPEKRS-GBOPCIDUSA-N 388.428 -0.973 30 20 GBED Cn1c(O)ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)c1=O 999097178 BAZKNYSGHAKCQR-XBFCOCLRSA-N 382.380 -0.139 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(c2cncc(C(=O)N(C)C)n2)C[C@H]1O 1041391179 WUFJSTXCZPQZFH-MIGQKNRLSA-N 389.456 -0.175 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCOCC2)C[C@@H]1O 1083848399 ALMOBDWNAXZMPX-DFGXFYAUSA-N 381.473 -0.622 30 20 GBED CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)c1 1118210842 CUUFKRZATLZDKK-KRWDZBQOSA-N 379.438 -0.276 30 20 GBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 1219822938 YZCGNRWDADJBPR-PNBKFKSVSA-N 391.472 -0.649 30 20 GBED Cn1ccc(N2CCC[C@@H](NC(=O)CCN/C(O)=C3/N=CC=CC3=O)C2=O)n1 1318993969 NJVSBETZQFEXIL-WGKGOADCSA-N 386.412 -0.052 30 20 GBED COCCOCCNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1322084051 BFQYLBJGTLLEQQ-CYBMUJFWSA-N 376.417 -0.835 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCCCN2CCN(c3ccncc3)CC2)CCO1 1322234491 LZVAMVNFVATILC-KRWDZBQOSA-N 386.456 -0.539 30 20 GBED N#CCn1cc(NC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)cn1 1324284146 XBGYEZLDUCSQGG-UHFFFAOYSA-N 381.396 -0.084 30 20 GBED CC(C)C(=O)NCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1329417467 BEITWOBXQIDMMY-MRXNPFEDSA-N 399.451 -0.336 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[C@@]2(CCO[C@@H]2C)O1 1331997608 RDUBRUWETCNRCB-NPNMTCQASA-N 376.457 -0.020 30 20 GBED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1470983206 PFUBNNUSGYGSMQ-STQMWFEESA-N 388.428 -0.149 30 20 GBED COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1566968411 QYXJFJRAOQBENH-WZRBSPASSA-N 395.437 -0.362 30 20 GBED C#CCOCCC(=O)N[C@@H](C)[C@@H]1CN(C(=O)CCCc2cnn[nH]2)CCO1 1575013134 MHJOCUMOMUKLFY-HOCLYGCPSA-N 377.445 -0.101 30 20 GBED CN(C)C(=O)Cn1c([C@@H]2COCCN2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1578401441 IOXVJMBZNOAYCB-GJZGRUSLSA-N 388.476 -0.796 30 20 GBED C#C[C@H](NC(=O)C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@@H]2C(=O)O)[C@@H]1CCCO1 1588371009 TWJWWZUDZNVXKS-VZKILSJISA-N 378.381 -0.853 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C[C@@H]1CCCO1)C(=O)O 1601326682 UBDRRPFVSBKJJR-CMPLNLGQSA-N 381.410 -0.136 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]2C(=O)NCC(=O)O)CC1 1603711650 GUGZMBUUBOVLJB-CABCVRRESA-N 379.461 -0.656 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCC1(C#N)CC1 1609125467 AZLBJNFKYIMWTO-SNVBAGLBSA-N 375.414 -0.047 30 20 GBED CS(=O)(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780332966 LYCMRDRAAUIFQI-INIZCTEOSA-N 380.426 -0.626 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1783176250 PVWOHWSINGMNBP-OAPRFOFOSA-N 393.488 -0.187 30 20 GBED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557447 HNKXMQIKYWZCQE-GOSISDBHSA-N 379.413 -0.933 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)C=C)[C@H]2C1 1788751524 FLRSWNBXWCRPIY-WOYTXXSLSA-N 391.468 -0.305 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1793342762 PVNDCZBOMWZICL-FVCCEPFGSA-N 391.384 -0.441 30 20 GBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1cccnc1)C2 1800984697 FCGWMPUACKQLMW-NRWUCQMLSA-N 378.454 -0.072 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCC(=O)O 1801020292 FBYOAXXIXQDSHP-NFFDBFGFSA-N 386.470 -0.015 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@@H](N)CN)CC2)C1 1804853901 XVEACESTCGDKBO-XVWMLYKFSA-N 377.489 -0.638 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)CNC(N)=O)CC2)C1 1804857786 ZHUJBWXMNKCMPI-PLNGDYQASA-N 391.472 -0.256 30 20 GBED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2ccncc2=O)n[nH]1 1821659051 RXTNODSEOCNVKS-CYBMUJFWSA-N 398.379 -0.253 30 20 GBED Cn1nncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830053446 RPSCPGUEYWRYIO-QGZVFWFLSA-N 376.417 -0.565 30 20 GBED COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)C(C)(C)C#N)CCO3)C2)CC1 1830064937 ZPQJHNRTXVNQLS-GOSISDBHSA-N 393.440 -0.054 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831740793 MOSIJMNLRKEALR-BDJLRTHQSA-N 382.442 -0.430 30 20 GBED C[C@@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1833195887 KXSRDNGLYRPUCK-YJBOKZPZSA-N 375.429 -0.111 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1 1833223751 MOYJMGNGZQRXLX-CYBMUJFWSA-N 384.477 -0.330 30 20 GBED Cc1nocc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834340669 VRIXYUYSWSEPBU-QGZVFWFLSA-N 377.353 -0.859 30 20 GBED Cn1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)n1 1835341889 CWQYPEWDCOIJBI-IBGZPJMESA-N 387.440 -0.277 30 20 GBED CCn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n1 1840041616 XOEMXNXRHYZCSK-SFHVURJKSA-N 390.396 -0.939 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1840158515 MXUWZAKPUMLEAG-SJCJKPOMSA-N 398.485 -0.631 30 20 GBED Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)no1 1840159198 YQOVFHUQWBVVNX-ZBEGNZNMSA-N 384.458 -0.305 30 20 GBED C[C@@H](NC=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814938 NGOHRPQQLRRFIX-KDOFPFPSSA-N 378.429 -0.729 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1840844491 YTJZFZUJVGVHIE-QAPCUYQASA-N 398.481 -0.567 30 20 GBED Cc1nc(S(=O)(=O)NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cn1C 68326886 JLPUVEKPZPHXCI-CQSZACIVSA-N 382.490 -0.301 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@@H]3CCOC3)CC2)cc1 265584568 YPDYQOUYVGQSGE-OAHLLOKOSA-N 385.467 -0.017 30 20 GBED N#Cc1ccc(N2CC[C@@H](C(=O)N3CCN(S(N)(=O)=O)CC3)C2)c(F)c1 286317998 ZNWQVNWDFKCIRR-CYBMUJFWSA-N 381.433 -0.129 30 20 GBED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)N2CCNC(=O)C2)CC1 297875152 OAVRVJREJYJMRP-UHFFFAOYSA-N 398.379 -0.587 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)c1=O 298784456 NRMGBBJGXYMZJV-UHFFFAOYSA-N 399.473 -0.922 30 20 GBED CC(=O)N1CCN(C(=O)CC/N=C(/O)[C@H]2COCCN2CC(F)F)CC1 329961673 OVBODSDJQVTPDK-CYBMUJFWSA-N 376.404 -0.010 30 20 GBED C[C@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc(C#N)ccn1 349488383 ZLFINAUXLGFLEN-NSHDSACASA-N 376.460 -0.273 30 20 GBED CN(C1CC(O)C1)S(=O)(=O)CCCS(=O)(=O)Nc1ncccc1C#N 349510951 ZIDPRKYNQQXUJM-UHFFFAOYSA-N 388.471 -0.130 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)NC[C@H]1CCOC1 349601149 JIMZJVACDSYGPK-CHWSQXEVSA-N 397.544 -0.397 30 20 GBED C[C@H](O)CN(C(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@H](C)CO 410862579 GMTVAUNYNHKZOZ-KGLIPLIRSA-N 392.431 -0.064 30 20 GBED C=CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 489128883 YESSDBVZPGUYEK-UHFFFAOYSA-N 391.471 -0.019 30 20 GBED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CC(N)=O 524282924 SQMUCYVZJOZFKS-UHFFFAOYSA-N 390.490 -0.124 30 20 GBED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NC[C@H](C)S(N)(=O)=O 541958607 YCGCEGTYTIVOOB-NSHDSACASA-N 384.414 -0.097 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@]2(O)CN3CCC2CC3)cc1 565195247 IQDWDMFBWTULSE-KRWDZBQOSA-N 378.454 -0.591 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H]3[C@H](O)CC[C@H]3C2)cc1 568531364 BURXJABJLGMHRO-NILFDRSVSA-N 385.467 -0.120 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)n2)c(F)c1 573356681 VCGLDNSCPUHBLC-LBPRGKRZSA-N 397.370 0.058 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@]2(CNC(=O)C2)C1 577005354 VFBRATUYLQCWGF-CQSZACIVSA-N 392.503 -0.860 30 20 GBED C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CN(C)CCO1 589138818 IFDPMYUWPFNMOI-HOCLYGCPSA-N 386.456 -0.563 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CCOC2)s1 594637774 YKDBAMORPKKGTI-SNVBAGLBSA-N 394.500 0.245 30 20 GBED C=CC[C@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(OC)cc1 680464201 GJLVMNQZHWSMJV-IOASZLSFSA-N 384.454 -0.128 30 20 GBED Cn1cc([C@H](O)CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 743649281 SAOBZNGNKSGQDJ-CYBMUJFWSA-N 377.426 -0.302 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](O)COc2cccc(F)c2)C1=O 748557955 FBSLOQKDDDXSOA-GFCCVEGCSA-N 379.344 -0.342 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N1CCOCC1 766349119 HKQQNKFLWCSQNS-LBPRGKRZSA-N 381.410 -0.373 30 20 GBED CCN1CCN(CC(=O)NS(=O)(=O)c2cccc(F)c2C#N)C(=O)C1=O 781598303 SUYTYNAQVZZNCI-UHFFFAOYSA-N 382.373 -0.807 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)NC2CC2)c1 785151664 CVVYRDYTDLUSOE-UHFFFAOYSA-N 395.437 -0.160 30 20 GBED C#CCN1CCN(C(=O)CN2CCC(N(CCOC)CCOC)CC2)CC1 796516750 YGNSJSMEBDLAJP-UHFFFAOYSA-N 380.533 -0.177 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 819701306 BYBPDXJWWKOOSB-UHFFFAOYSA-N 381.440 -0.307 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](OC)c2cccc(OC)c2)CC1 831584926 QGGYCGTXVMFOIE-INIZCTEOSA-N 381.454 -0.006 30 20 GBED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CNC[C@@H]2C#N)C1 834500325 SBGUTNOQNWHXQR-IHRRRGAJSA-N 380.474 -0.345 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C2CC(O)C2)cc1 848953738 NAARDCNUSMISAA-UHFFFAOYSA-N 397.478 -0.022 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCNC(=O)C1 848956362 PTJFXRXWCMTYBA-UHFFFAOYSA-N 386.455 -0.659 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@H](C1)C2(F)F 848959474 IZSRMWSINIYIBO-RYUDHWBXSA-N 381.426 -0.308 30 20 GBED CCOC(=O)CON=C(C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1)c1cc[nH]n1 861716519 VTOAFLICYIMHGA-STQMWFEESA-N 379.417 -0.639 30 20 GBED C#CCSCC(=O)N1CCN(C(=O)CSCC#C)[C@@H](C(=O)N(C)C)C1 901033212 DGSLQBUGGBVXNL-CQSZACIVSA-N 381.523 -0.153 30 20 GBED CN(C)CC#CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 913515383 VJNBBADRNVSQRW-UHFFFAOYSA-N 381.454 -0.193 30 20 GBED C=CCn1cc(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)nn1 951519999 XACPAOGUYVNRSE-RZLSGREXSA-N 375.429 -0.154 30 20 GBED C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@H]32)cn1 974672375 YKGXYHCIYAOBRP-MXASKKJJSA-N 382.420 -0.231 30 20 GBED C#CCOc1ncccc1C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]2C1 1022727489 CLJHFAZSDMNEMA-DRPJVOAASA-N 382.420 -0.112 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CCC[C@@H]3C(=O)NC3CC3)CC2)c1 1117894845 GKAZIURWLZLHQY-MRXNPFEDSA-N 396.451 -0.129 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NCC(=O)N3CCCCC3)CC2)nc1 1258083095 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C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2cncc(-c3cnn[nH]3)c2)[C@H](OC)C1 1575103463 CNLTVGOAMSHRCZ-CSMYWGQOSA-N 399.455 -0.014 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 1588503195 XALGKTHXXZKDQW-IRXDYDNUSA-N 388.432 -0.569 30 20 GBED C=CCn1cc(C(=O)N(C)[C@@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 1588710961 GKUYFQKMCBLYET-JTQLQIEISA-N 384.404 -0.137 30 20 GBED Cc1nc(C#N)c(N2CCC(C(=O)N3CCNC(=O)[C@H]3CC(=O)O)CC2)o1 1610551779 ZQFFGPHLDOYZJD-CYBMUJFWSA-N 375.385 -0.127 30 20 GBED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C(=O)O)cc2)c1=O 1610594941 YSGJGIACJQHYJP-UHFFFAOYSA-N 399.428 -0.493 30 20 GBED Cc1c(C#N)c(=O)n(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)c(=O)n1C 1656779429 ZTFBOZVVWQZHLA-UHFFFAOYSA-N 394.384 -0.092 30 20 GBED N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CC(=O)N2CCOCC2)CCO1 1698493411 LSENYNIEHVVKAO-ZDUSSCGKSA-N 384.400 -0.677 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778154708 YYDFWOFQTXPLDV-HNAYVOBHSA-N 393.440 -0.303 30 20 GBED 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388.424 -0.415 30 20 GBED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 1833451692 XXFNAKUCGRHERR-AWEZNQCLSA-N 398.529 -0.481 30 20 GBED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835359364 GAAGSWYUKMTFAJ-KBXCAEBGSA-N 378.429 -0.563 30 20 GBED COC(OC)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733272 WVQQEJXWMCWJEK-GOSISDBHSA-N 392.412 -0.425 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1839808372 PBARIBIECSBCJJ-GOSISDBHSA-N 376.413 -0.767 30 20 GBED C[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840024605 FTTVFGMGENSHSF-JIPSRSKRSA-N 399.444 -0.647 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1840172171 XGKWAVGZKOAYEY-LJQANCHMSA-N 388.424 -0.173 30 20 GBED C/N=C(/NCCS(=O)(=O)N1CCSCC1)N1CCC[C@@H](CC(N)=O)C1 261699478 FYOXFIUWTDAYBU-ZDUSSCGKSA-N 391.563 -0.472 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1=O 281465522 SXMAIRVBSAIXTM-IRXDYDNUSA-N 392.500 -0.055 30 20 GBED 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c1cccnc1 1800775644 ANNGJSMEAMPRTD-NXEZDXNNSA-N 386.408 -0.851 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801736042 UTIDTDUSMYLOMP-YYIAUSFCSA-N 397.516 -0.516 30 20 GBED COC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801984788 PCEHJLMJBGTQBW-QKPAOTATSA-N 392.456 -0.579 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(O)n[nH]3)sc2C1 1815217717 YGQFLTSZAKTXQW-SSDOTTSWSA-N 375.366 -0.114 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ncon4)CCO3)C2)CCC1 1838324449 HPIVINGBQVFHQH-QGZVFWFLSA-N 375.385 -0.167 30 20 GBED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1839889744 NAZYJDLKIUVYLN-INIZCTEOSA-N 399.398 -0.054 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1840159657 JTYSQCQJFDTTMB-DYVFJYSZSA-N 382.486 -0.263 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)CC)C2)C1 1840840539 DNKBQOOJZDUMDZ-KXBFYZLASA-N 379.457 -0.229 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1840844816 NGIOKDJIMAFVRQ-HNAYVOBHSA-N 377.441 -0.618 30 20 GBED CN(C)C(=O)NCC(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844258136 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-0.272 30 20 GBED C[C@]1(C2CC2)NC(=O)N(CC(=O)N(CCC#N)CCN2CCOCC2)C1=O 360321077 BTNQCCAKLOWAGT-GOSISDBHSA-N 377.445 -0.219 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CN2CCC[C@@H]2CO1 364466724 LOJRFOFQLXPNEG-CHWSQXEVSA-N 378.454 -0.296 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCN(CCO)CC3)n2)c(F)c1 376894585 UABYGWFAVBSGGU-UHFFFAOYSA-N 386.387 -0.042 30 20 GBED CN(C)C(=O)NCCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 377026885 XMSOWVGOUUYEFX-UHFFFAOYSA-N 387.375 0.209 30 20 GBED CCN(CC)CC(=O)N1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1 410148872 GBYHNEQEWHJGIK-UHFFFAOYSA-N 389.522 -0.421 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C)CN1CCOCC1 460603380 FJWCRBSPVSVMGC-AWEZNQCLSA-N 397.439 0.223 30 20 GBED Cn1c(N2CCOCC2)nnc1S(=O)(=O)CC(=O)Nc1cccc(C#N)c1 462952968 LIIBTEXDPLSDKA-UHFFFAOYSA-N 390.425 -0.064 30 20 GBED Cc1ccc(C(=O)NCCNC(=O)c2cc[nH]n2)cc1S(=O)(=O)NCC#N 509393835 CWGGDDXXHVDVOJ-UHFFFAOYSA-N 390.425 -0.320 30 20 GBED COC(=O)CCN1CC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1=O 540967061 LYRWHKPLWAMWDS-CYBMUJFWSA-N 391.432 -0.398 30 20 GBED CN(CC(=O)NC[C@@]1(O)CN2CCC1CC2)S(=O)(=O)c1ccc(C#N)cc1 552210589 LNVGKUJUYSNQGL-GOSISDBHSA-N 392.481 -0.248 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCn2cncn2)cc1 563428883 KPRSWNSMAIPSPV-UHFFFAOYSA-N 384.443 -0.599 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCNc1ccn(C)n1 565030863 GUHJYXVCFXDCFY-GFCCVEGCSA-N 376.442 0.187 30 20 GBED COCC(COC)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 566748314 OPGRQNVZEFZETR-UHFFFAOYSA-N 391.471 -0.230 30 20 GBED C=CCOC[C@@H](NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)C(=O)OC 584564675 VDYUFYPIJNQMIL-LLVKDONJSA-N 378.385 -0.950 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C[C@H](C)O1 593701364 XGUBUHMQFMAYML-JQWIXIFHSA-N 377.401 0.237 30 20 GBED N#CC1(NS(=O)(=O)c2ccc(S(=O)(=O)NC3(C(N)=O)CCC3)cc2)CC1 594623500 MDTZIGPLESLMNV-UHFFFAOYSA-N 398.466 -0.293 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 594822820 PNYOGTJJQFKMBS-MWLCHTKSSA-N 375.384 -0.443 30 20 GBED COC(=O)[C@H]1C[C@H](OC)CN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 609534517 JPCAJKGAANFDHG-DZGCQCFKSA-N 395.437 -0.032 30 20 GBED Cc1nc(=NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)n(-c2ccc(C#N)cc2)[nH]1 740691015 NIWFOSHPRKJVQP-UHFFFAOYSA-N 375.352 -0.107 30 20 GBED COC(=O)c1ccccc1CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 755680258 NMJXOSVHKATAGI-AWEZNQCLSA-N 378.406 -0.018 30 20 GBED C=C[C@@](C)(CCOC)C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 782443421 KAOJDSYZZDMQQC-NHYWBVRUSA-N 376.431 -0.229 30 20 GBED C#CCN(CC#CC)CC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 819698169 TVPGXGZWSNICGA-UHFFFAOYSA-N 382.428 -0.230 30 20 GBED N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 919818390 LBWMGCDMFWFDHQ-HNNXBMFYSA-N 397.478 -0.167 30 20 GBED C=CCN1CCN(S(=O)(=O)C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 961062828 FXBMTAQMEJHWDO-ALYAQQCSSA-N 381.498 -0.246 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)CC(C)(C)C2=O)C[C@@H]1O 970707218 UJLZCZXLLQQGKE-MQYQWHSLSA-N 393.440 -0.950 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)C(F)F)[C@H]2CS(=O)(=O)C[C@H]21 995450049 LEQYKUDGEZIDJJ-WYUUTHIRSA-N 378.397 -0.321 30 20 GBED N#Cc1c(F)cccc1N1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1051462306 ZMKQUFINPMHENR-KTMIJUKYSA-N 383.387 -0.044 30 20 GBED N#Cc1c[nH]c(C(=O)N(CCO)CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)c1 1057291445 FCQAFQOAUOZFHI-OFQRWUPVSA-N 376.413 -0.511 30 20 GBED CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N 1092920253 WAGHLTMUEIRABG-MDZLAQPJSA-N 378.458 -0.098 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CS(=O)(=O)C1 1109328489 POAJATUTWMIZFJ-ILXRZTDVSA-N 382.486 -0.485 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1 1117462302 VWLXQNMIKDUAKJ-UHFFFAOYSA-N 379.442 -0.289 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)C1 1118145853 QWUHIELPIDDNMX-HXUWFJFHSA-N 385.468 -0.198 30 20 GBED CN(Cc1nnc2n1CCN(C)C2=O)C(=O)CNC(=O)c1ccc(C#N)cc1 1177889520 LSLSQQLWNLVMRV-UHFFFAOYSA-N 381.396 -0.376 30 20 GBED CS(=O)(=O)NCCNC(=O)C(=O)NCCSCc1ccccc1C#N 1258189978 BSACCZLOLFSNDO-UHFFFAOYSA-N 384.483 -0.427 30 20 GBED N#Cc1cncc(S(=O)(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)c1 1261200944 OFTKDUBNOZPAKE-UHFFFAOYSA-N 384.483 -0.163 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCO[C@@H](C#N)C3)C2=O)cc1 1325270619 JPHQDNAQTZAUDT-HOTGVXAUSA-N 381.392 -0.079 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1325697197 NYOYXYSXWFGYCS-SNVBAGLBSA-N 399.391 -0.770 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCCN(c2nccc(OCC)n2)CC1 1326804598 SWTDFIRULBAGJF-UHFFFAOYSA-N 375.429 -0.320 30 20 GBED COC(=O)N(C)CCNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1328227416 NBBZIAAGGSZRGD-LBPRGKRZSA-N 389.416 -0.800 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(NC(C)=O)c(F)c2)CC1 1331881956 URAMSPGXVZAFOI-UHFFFAOYSA-N 396.444 -0.160 30 20 GBED Cc1cc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)n([C@@H]2CCS(=O)(=O)C2)n1 1338751221 XIGUXWLLCSCMHA-ABAIWWIYSA-N 383.405 -0.046 30 20 GBED CC(C)NS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 1345340532 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C[C@@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793263127 IYJSGCVHDZNABQ-FTUNRGFVSA-N 378.425 -0.395 30 20 GBED N#CCC(=O)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806699158 CSESTGUYWVNFNF-UHFFFAOYSA-N 396.513 -0.138 30 20 GBED N=C(N)SCC(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825664934 SJOWWCGRFDHHMK-ZETCQYMHSA-N 381.439 -0.230 30 20 GBED COC(=O)NCC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825675280 XBSFHGLPNMRRIN-MRVPVSSYSA-N 380.382 -0.501 30 20 GBED CN[C@@H](CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)C(=O)O 1830056159 OVLRHZMUKDSKFD-SCLBCKFNSA-N 396.444 -0.945 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(COC)CC1)CCO2 1831367446 GUKHFZBGEUMDIN-OXQOHEQNSA-N 394.468 -0.092 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834380802 IKUWUYXRCMPADE-LPHOPBHVSA-N 390.440 -0.622 30 20 GBED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834761018 PCYVPHZKVUQHCM-DYVFJYSZSA-N 381.433 -0.936 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1836298340 UAEKAZXOMOHBOM-KDOFPFPSSA-N 391.428 -0.779 30 20 GBED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CC1 1839895722 QCXMAVRJYLMWAT-IBGZPJMESA-N 390.436 -0.191 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CC)NC(C)=O 1847260297 SOTJDIKYDLWAJP-WIYHPRKFSA-N 376.457 -0.039 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(C)C2=O)cc1 265684146 CPEKHJVOCIDISA-AWEZNQCLSA-N 394.453 -0.222 30 20 GBED C[C@@]1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 267369002 RHMGUTFZAVHKEL-GOSISDBHSA-N 392.481 -0.152 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)Nc2cnn(CC(=O)NCCOC)c2)C1=O 281264877 FQIKWEPIYUZNRK-AWEZNQCLSA-N 378.433 -0.104 30 20 GBED CS(=O)(=O)NC[C@H]1CCCN(C(=O)C(=O)NCc2cccc(C#N)c2)C1 283994754 MSLWRGRDRWXPKW-OAHLLOKOSA-N 378.454 -0.038 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1=O 297775993 IRSJKTOJWZPDTO-CABCVRRESA-N 392.456 -0.919 30 20 GBED CC(C)(C)C(=O)NCC/N=C(/O)N1CCN(C(=O)CN2CCOCC2)CC1 330482367 ROJYUSFGHSAKOD-UHFFFAOYSA-N 383.493 -0.461 30 20 GBED Cc1onc(CC(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)c1C#N 331572207 DLBSYGWWBPLOGH-ZDUSSCGKSA-N 375.429 -0.211 30 20 GBED COC(=O)[C@@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)Oc1ccc(F)cc1 409505420 AFDQMNSWTYMNRH-UONOGXRCSA-N 387.389 -0.195 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CO)COC)cc1 484963460 NWZYIVOAFCHQFK-CYBMUJFWSA-N 385.442 -0.445 30 20 GBED COc1cc(C#N)ccc1OCCN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 498987139 MGWQJVOVUYQDCV-HOTGVXAUSA-N 395.481 -0.279 30 20 GBED C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H]1O 509084434 OFOQWSALDFUIBF-HOCLYGCPSA-N 392.481 -0.296 30 20 GBED CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccc(C#N)cc1OC 545296357 LTQJMHXNIWUZER-CYBMUJFWSA-N 387.396 -0.641 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@H]4CCN[C@H]4C3)CC2)c1C#N 591581796 VGKHRSYXNZLNAP-ZBFHGGJFSA-N 385.472 -0.541 30 20 GBED N#CCCN1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 601571492 MNSDWKKPCDYIDB-UHFFFAOYSA-N 375.520 -0.394 30 20 GBED C=CCCCCCN(C)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 671357008 CSKXCNCBQGWEBO-UHFFFAOYSA-N 388.534 -0.115 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)NCC)c2)CC1 728536198 OBPIOHNIUPUPIP-UHFFFAOYSA-N 392.481 -0.508 30 20 GBED C#CCOc1ccccc1CNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 746266005 BOHBQDCWCRIFPZ-UHFFFAOYSA-N 391.405 -0.015 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cnn(CC(F)F)c2)CC1 777929143 HKEIQTOTUOWZEM-UHFFFAOYSA-N 375.401 -0.796 30 20 GBED Cn1c(S)nnc1CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 810350444 MMZIUFZUNQQLPI-UHFFFAOYSA-N 380.455 -0.387 30 20 GBED C#CCCS(=O)(=O)NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 810782270 KIABVVILHCFFJW-UHFFFAOYSA-N 379.442 -0.625 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CCOC[C@@H]1C#N 820443861 ABKYLWFWSVBMHF-PWSUYJOCSA-N 391.413 -0.716 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@H](N4CCOC4=O)C3)CC2)c1 850605338 UCIDENGVABBHAX-HNNXBMFYSA-N 398.423 -0.345 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)C1=O 916617242 KMLMRZCDEBKQTH-SFHVURJKSA-N 399.363 -0.538 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CCn1cncn1 960031376 KWZYWEZZFCMWFQ-FXUDXRNXSA-N 375.429 -0.303 30 20 GBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)[C@@H]1OCCO[C@@H]1C(F)(F)F 968435184 KIXCIVPFZFNKFY-WVWOOGAGSA-N 376.331 -0.566 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CCOC)nc2C)C[C@@H]1O 970706333 GEFLABVXIJYSAN-SIXLDLHFSA-N 392.456 -0.269 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1OCC 983233741 VGDZADFEEKXQKS-LUYZLQTOSA-N 390.440 -0.046 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ncn(C)c1=O 997945808 ZFQJYHGVTQTWMW-MRLBHPIUSA-N 375.429 -0.579 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1000008543 DLGDNRHPOIZDHO-BDXSIMOUSA-N 393.484 -0.216 30 20 GBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C2CC3(C2)NC(=O)NC3=O)nn1 1055052800 BVUPMCVVHLRKNQ-DAVLUUJKSA-N 381.396 -0.438 30 20 GBED C=CCN(CC=C)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 1109601938 UZWCAOKKTFJYAD-QXSJWSMHSA-N 375.473 -0.068 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(=O)NCC1CC1 1109897653 DTGUATCOWNZNHN-RDBSUJKOSA-N 377.445 -0.754 30 20 GBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ccc(O)nc1=O 1110774247 DTAQMXUGQOHNRY-DGAVXFQQSA-N 375.429 -0.639 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 1117338716 TZJAMRDIYWTSAC-KURKYZTESA-N 394.516 -0.394 30 20 GBED C#CCOc1ccccc1Cn1nnnc1N1CCN(S(C)(=O)=O)CC1 1120230289 SPMIOFYHFDYBQT-UHFFFAOYSA-N 376.442 -0.185 30 20 GBED C#CCN1CCC[C@H]1c1nnc(N2CCN(CC(=O)NCCOC)CC2)n1C 1121312061 IRQNRAVFNTUEPA-INIZCTEOSA-N 389.504 -0.530 30 20 GBED C=CCn1c(N2CCN(C(=O)COC)CC2)nnc1C1(CO)CCOCC1 1121603224 CIIGNEKDUUQJFI-UHFFFAOYSA-N 379.461 -0.200 30 20 GBED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCc2cccc(OCC#N)c2)C1 1258468783 JXEYIAKVUOCAAO-HNNXBMFYSA-N 394.453 -0.255 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1 1323583866 FUCPTSGUOPESFX-HOCLYGCPSA-N 385.424 -0.644 30 20 GBED Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1 1324948153 LWBYQRPBFKFVIT-AWEZNQCLSA-N 394.453 -0.517 30 20 GBED CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cc1 1326108856 VIADKSJJJABFGB-KRWDZBQOSA-N 379.438 -0.276 30 20 GBED CS(=O)(=O)CCCNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1327738783 GEWAXNLOIVVXQQ-UHFFFAOYSA-N 392.481 -0.247 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCC[C@H](N(C)C)C1 1328533343 PMJFGZAWPWHZNI-CABCVRRESA-N 385.472 -0.062 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1=O 1328622437 QCHPXXJFAZPROP-AWEZNQCLSA-N 385.486 -0.247 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCOC[C@H]1C1CCC1 1329330625 FZXWDCFOGDWNIY-ZGTROFRASA-N 376.413 -0.344 30 20 GBED Cn1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2=O)n1 1330411354 VZBUSZNXOVDQKN-GJZGRUSLSA-N 399.455 -0.770 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCN3CCCC3=O)n2)cc1 1332610622 MXNXYMAOKCZNRE-UHFFFAOYSA-N 381.396 -0.125 30 20 GBED N#Cc1ccccc1OC[C@H](O)CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 1334973196 SCTJJHVWJHTKLZ-BRWVUGGUSA-N 395.481 -0.927 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCC([C@@H]2CCOC2)CC1 1346276575 LCAWCZBHWHTMKO-UVTIVQHFSA-N 390.440 -0.096 30 20 GBED CC(C)N1CCN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1=O 1348365657 HQHQMPVZXURBCL-AWEZNQCLSA-N 399.455 -0.535 30 20 GBED C#Cc1ccc(C(=O)N(C)C[C@H](O)CN=c2cc[nH]cc2-c2nn[nH]n2)nc1 1573288096 IMIOOQVRKPFSJY-CYBMUJFWSA-N 378.396 -0.395 30 20 GBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2C1 1588354750 YCLYZNOJTCWDFT-OCCSQVGLSA-N 382.428 -0.662 30 20 GBED C=C[C@@](C)(O)CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](OC)C1 1588501676 NXMWWGXFVNHWAJ-PBFPGSCMSA-N 389.416 -0.523 30 20 GBED C=C[C@](C)(O)CC(=O)N1CCC[C@](CO)(Nc2cnc(-c3nn[nH]n3)cn2)C1 1588502974 VOFDRXMTLZCWLS-IRXDYDNUSA-N 388.432 -0.251 30 20 GBED CN(C[C@@H](O)c1cccc(C#N)c1)c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 1591052448 BJPNCERRLJFFAS-GFCCVEGCSA-N 382.384 -0.694 30 20 GBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC[C@@H]21 1592678518 ZTEBKPDGNQWDGS-RISCZKNCSA-N 383.416 -0.629 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nonc4c3)C2)C1 1777721179 BWDIUBRLOAUMGW-GOSISDBHSA-N 384.348 -0.246 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782744915 FXKHNMSCEFCIGN-QGZVFWFLSA-N 399.469 -0.722 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784740993 UIEBRPVMDQRIPM-PBHICJAKSA-N 386.470 -0.711 30 20 GBED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2C1 1786259533 MVKABEXPECSXRC-HUBLWGQQSA-N 386.412 -0.867 30 20 GBED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787497148 YHMHLJNGAMNSNA-CUOUOBHDSA-N 393.469 -0.318 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1788577370 MYOYSJOQJQJETK-XDQVBPFNSA-N 382.461 -0.793 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)NCC)C2 1793344131 IMMITUZYJQBVKW-GVRJEKJASA-N 394.472 -0.678 30 20 GBED CC(C)(C)n1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)nn1 1798708770 SZAGJMCXPFZBAK-DRXBFXEBSA-N 389.412 -0.676 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1799393433 GBMLVDNRVLDPOV-HGTKMLMNSA-N 394.476 -0.783 30 20 GBED C#CC(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1812527082 XENIPMXJFWIJRE-MLGOLLRUSA-N 392.379 -0.840 30 20 GBED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC(=O)NC)CCO2 1831263624 FBJRYXFDDDSZCU-IBGZPJMESA-N 397.472 -0.438 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1831387849 RUWCZYDKNLHNAL-FUHIMQAGSA-N 393.484 -0.425 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1831487342 NAFHRJMGOAPFFM-MLGOLLRUSA-N 383.474 -0.171 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1831499585 WSDMRZZGVANHLD-YEWWUXTCSA-N 399.513 -0.467 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)CC1 1835348466 YEWLTSYHTCQRCT-QGZVFWFLSA-N 397.453 -0.436 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCOCC1)CCO2 1835393468 ZBKFEHXHBKORHG-FQEVSTJZSA-N 391.468 -0.812 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CN)CCO2)C1 1835529905 CZHIVOIRNHTYED-HDMKZQKVSA-N 384.477 -0.162 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836419514 LDFNJLLWSFWRSR-GTNSWQLSSA-N 397.453 -0.119 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]nc3C)CCO2)C1 1838676915 FPKKMGZILBYWOA-KXBFYZLASA-N 390.440 -0.174 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)c1 1838735050 TWTJUPYGUKVWCE-LJQANCHMSA-N 398.423 -0.147 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOC)C2)C1 1840167422 PGOBBTXVSMSROB-IBGZPJMESA-N 382.457 -0.091 30 20 GBED COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816517 XQSINORJMXBZFY-SFHVURJKSA-N 394.428 -0.507 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)C(=O)NCC(C)C)C2 1841054495 HPOKLNYJQDAWEB-SREVYHEPSA-N 376.457 -0.180 30 20 GBED CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(C#N)cc1)C(=O)C(=O)O 1847308871 WHQMNSYDDLKSFV-HOTGVXAUSA-N 398.419 -0.154 30 20 GBED C=CCNC(=O)c1ccccc1NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 15609508 PXEYJOIWLOXXAP-UHFFFAOYSA-N 396.407 -0.012 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)CN3CCCS3(=O)=O)C2=O)cc1 276842350 IXICJTVVOSVRMM-OAHLLOKOSA-N 376.438 -0.189 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N(C)C2CC(O)C2)c1C#N 349501597 QIVOQSKPWSVCCP-UHFFFAOYSA-N 391.475 -0.494 30 20 GBED Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1 409542822 DQYDSERILWROSB-ZDUSSCGKSA-N 388.471 -0.668 30 20 GBED CNS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC(=O)OC)cc1C 480637488 GSOWOJSZBRVLJJ-UHFFFAOYSA-N 375.428 -0.410 30 20 GBED C[C@@H](C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1)n1cnc(C#N)n1 481303105 VSCGXROKZIUIED-NSHDSACASA-N 378.414 -0.104 30 20 GBED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C1CC1 502043971 NEBNEQCKJUBUDX-LLVKDONJSA-N 387.465 -0.368 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCc4c[nH]nc4C3)CC2)c1 520270221 ZMHAWDLPSAVCRQ-OAHLLOKOSA-N 379.424 -0.001 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCSC[C@H]1C#N 539329370 GLBFLPRGFMFFDA-CMPLNLGQSA-N 382.467 -0.080 30 20 GBED N#Cc1ccc(NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)nc1 559697930 JOMDWWGULQRTJS-JURCDPSOSA-N 379.376 -0.185 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC2)c1C#N 588056569 YIVRCMTXYYQNJQ-INIZCTEOSA-N 399.499 -0.151 30 20 GBED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 588123868 NAPAFKFSDQTGNH-HUUCEWRRSA-N 393.488 -0.520 30 20 GBED CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)NC1CCN(CC#N)CC1 588126239 FSFFTZGTYILMDT-UHFFFAOYSA-N 379.505 -0.093 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 619711157 KSXHVXAUJGIQAT-GXTWGEPZSA-N 384.462 -0.390 30 20 GBED Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cn1C 726642105 SJUMPVIIUCCMKL-MRXNPFEDSA-N 397.457 -0.251 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)c2cc3ccccc3[nH]2)CC1 742634261 MTGZPWPRKYQEEH-UHFFFAOYSA-N 381.436 -0.209 30 20 GBED CCN1CCN(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(=O)C1=O 756889945 GYXLXZHRGCVTJS-OLZOCXBDSA-N 393.444 -0.448 30 20 GBED C#CCOCCNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 784540830 QMWYUKGPLLSPBM-HUUCEWRRSA-N 388.490 -0.683 30 20 GBED C=CCN(C(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)C(C)C 839248047 WKBLHFBULMMMLH-UHFFFAOYSA-N 397.501 -0.016 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCc2cnccc21 848957455 OVYISEURBMWSPY-UHFFFAOYSA-N 382.467 -0.047 30 20 GBED C#CCN=c1nc(N(C)Cc2nnc(C)o2)[nH]c(N(C)Cc2nnc(C)o2)n1 853815204 MKLYKMRMEUJMDO-UHFFFAOYSA-N 384.404 -0.006 30 20 GBED C#CC[C@@H](CO)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 854542944 SXFNAUQXJWLPMU-HOCLYGCPSA-N 395.481 -0.284 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C[C@@H]2O)nn1 964280004 YLVPXAWZFAWOQP-BHPKHCPMSA-N 390.444 -0.930 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2c(O)nnc2O)nc1 998952524 QJCCHNDLFJEOSJ-XBFCOCLRSA-N 382.380 -0.373 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1c(O)nnc1O 999032147 GSGDSXSHTIHLNC-MCZMQQNQSA-N 391.428 -0.081 30 20 GBED C=CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 1024916777 CIPGTIABHCVQOL-XLOUWHCTSA-N 387.440 -0.421 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1117586469 JMEVLLFWGBFQIN-UHFFFAOYSA-N 391.453 -0.681 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)CC1 1118434501 CWABWLADJKFGKY-AWEZNQCLSA-N 377.445 -0.666 30 20 GBED C=CCn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1C1(O)CC1 1262957878 JVFMVWPEMDKGPC-UHFFFAOYSA-N 376.461 -0.574 30 20 GBED CN(C)S(=O)(=O)CCS(=O)(=O)N1CCN(c2cnccc2C#N)CC1 1309544493 WNBCIOGQGLXENF-UHFFFAOYSA-N 387.487 -0.704 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccc2NS(C)(=O)=O)C1=O 1318286381 YNEQLGKBUXCZBV-UHFFFAOYSA-N 394.409 -0.349 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)n1 1322098389 IPHIPMDGZYZFMZ-CQSZACIVSA-N 395.485 -0.595 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCc2nc(COC)nn2C1 1323850222 KMZXBVVTNVYLEO-WWGRRREGSA-N 377.445 -0.047 30 20 GBED C=CCn1c(CCC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1340405152 ADOZFMMHLNKDNT-UHFFFAOYSA-N 376.461 -0.076 30 20 GBED C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1343006807 GKTTUESTGVSNBB-LSDHHAIUSA-N 387.488 -0.190 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NCc1ccc2c(c1)OCO2 1344786198 YIRPXEKLFJTXMK-FOCLMDBBSA-N 386.364 -0.326 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1347639016 CBXFFHJICWOJSX-OWCLPIDISA-N 391.449 -0.020 30 20 GBED COC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)OC 1518715017 QGZHQNRMWXOOLR-KBPBESRZSA-N 378.433 -0.096 30 20 GBED N#Cc1cc(C(=O)NCC2[C@@H]3CN(c4cncc(-c5nn[nH]n5)n4)C[C@@H]23)c[nH]1 1571119560 CNMQJRODALPEAU-STQMWFEESA-N 376.384 -0.031 30 20 GBED C#CCOCCC(=O)N1CC[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]21 1573286407 ATLYQOMOZOVHBH-SWLSCSKDSA-N 383.412 -0.092 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc(CN2CCCC2=O)n1CC(=O)NCCC 1574966809 HNJKPISUNSJHHV-UHFFFAOYSA-N 399.459 -0.315 30 20 GBED C#CCO[C@@H](C)C(=O)NCCN1CCN(C(=O)[C@H](C)OCc2cnn[nH]2)CC1 1575013315 NSIFPTYUIKHASC-GJZGRUSLSA-N 392.460 -0.992 30 20 GBED C=CCNC(=O)CNC1CC(N(C)C(=O)C2CCN(Cc3cnn[nH]3)CC2)C1 1575108989 UDVOXWBLOYXJJR-UHFFFAOYSA-N 389.504 -0.102 30 20 GBED CCN(CCC#N)C(=O)CN1CC(N(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1577909324 MHZLDXHXHHEQQP-UHFFFAOYSA-N 385.432 -0.287 30 20 GBED Cc1cc(=NC[C@@H](O)CN(C)C(=O)c2cc(C#N)c[nH]2)c(-c2nn[nH]n2)c[nH]1 1581014672 KCQIPNQWQKSITA-GFCCVEGCSA-N 381.400 -0.263 30 20 GBED N#CCNC(=O)CN1C[C@@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 1581857988 MYLZEOUWRTXPMJ-SMDDNHRTSA-N 383.416 -0.629 30 20 GBED C#CC[C@@H](COC)NC(=O)C(=O)N1CC(Oc2ccc(-c3nn[nH]n3)cc2)C1 1588331134 KQYZALYVJYEMKQ-ZDUSSCGKSA-N 384.396 -0.389 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@H]2[C@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H]2C1 1588359220 ZPFGQGUUKRZZLH-ZDEQEGDKSA-N 383.412 -0.333 30 20 GBED C=CCCO[C@H](C)C(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[nH]n2)n1 1588607998 BRWMLBQDSLVPBZ-CHWSQXEVSA-N 388.432 -0.041 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CNc1cc(-c2nn[nH]n2)nc(CC)n1 1588722902 DNKGZEPFHKZTPL-WZRBSPASSA-N 388.432 -0.301 30 20 GBED N#CCNC(=O)CNC[C@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CCCC1 1592678303 UFLXIPJFESKNRV-AWEZNQCLSA-N 385.432 -0.287 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC(O)(CNc2nccnc2-c2nn[nH]n2)CC1 1602724938 HYOQREPFCFCUAL-GFCCVEGCSA-N 386.416 -0.540 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[nH]n2)nn1 1602885925 KFYKVJIAZDOEGM-SCRDCRAPSA-N 386.416 -0.431 30 20 GBED N#Cc1cn(CC(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)c(=O)nc1O 1631689750 IKWGCFPJCGVZHD-LSDHHAIUSA-N 375.429 -0.295 30 20 GBED Cc1nc2ncccn2c1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1777903444 OTILGZGNARCTPT-IBGZPJMESA-N 397.391 -0.431 30 20 GBED CN(C)C(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783676864 HPBFFSTUPNHCSG-IHRRRGAJSA-N 379.461 -0.213 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3noc(C)n3)[C@H]2C1 1785270877 VKAGWFXUILWYHX-OEAJRASXSA-N 390.440 -0.061 30 20 GBED CCN1CCC(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1785647653 RYBIEZNMBLZHBE-IBGZPJMESA-N 377.441 -0.364 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cncnc3)[C@H]2C1 1787045848 QAIOZNAFCBAPMX-JYJNAYRXSA-N 386.408 -0.523 30 20 GBED COCc1oncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1787724171 YSPPNAAVSRNDQD-UBHSHLNASA-N 391.380 -0.498 30 20 GBED C[C@H](Cn1ccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791631214 WZCNFQDXRIDSSK-UGUYLWEFSA-N 388.424 -0.413 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)C(F)(F)F)C3)CC1 1795412962 WGFIYSBXBMNVKR-PEGIJTEDSA-N 388.346 -0.442 30 20 GBED COCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797740998 NOGJTGFYZWMUCR-DYYLVRDHSA-N 396.488 -0.289 30 20 GBED Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)cn2[nH]cnc(=O)c12 1798463988 SPJPKFMKLILGNU-JJLQDPRZSA-N 384.396 -0.552 30 20 GBED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1800493652 FGSRLGTVCNSQPX-FLTUCWPJSA-N 375.425 -0.287 30 20 GBED CC(=O)Nc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c1 1801787696 XBEJVXXKJSSBFB-CCWDJLKJSA-N 399.403 -0.064 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1831433463 IKMQPGBIFHPDLL-HNAYVOBHSA-N 392.456 0.000 30 20 GBED C[C@@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1835528729 IXTIMMIFMKWSFV-SCLBCKFNSA-N 375.429 -0.449 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837277767 PHEWQTQXPZZGOT-BZNIZROVSA-N 398.489 -0.906 30 20 GBED C[C@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837562879 SESSVAOMDBTFGM-QJNITLFRSA-N 392.456 -0.250 30 20 GBED CSCC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840195898 KPSGRNFMHHVDNY-RDTXWAMCSA-N 397.497 -0.139 30 20 GBED CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1840195917 LLSOYHZWDODTTQ-WMLDXEAASA-N 385.486 -0.139 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1840842813 CATWSTPUWOAKPZ-QFBILLFUSA-N 389.456 -0.216 30 20 GBED COc1ccc(S(=O)(=O)N2CCO[C@@H](C#N)C2)cc1[C@]1(C)NC(=O)NC1=O 264405810 RSMUKKIILMGMMN-QFYYESIMSA-N 394.409 -0.337 30 20 GBED COC(=O)[C@H]1COCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 268925019 RFJROPHYZWYULT-BXUZGUMPSA-N 381.410 -0.375 30 20 GBED CN(CCCNC(=O)CO/N=C(\N)COc1cccc(F)c1)S(C)(=O)=O 275404706 BQFHXLYGBOKZSU-UHFFFAOYSA-N 390.437 -0.109 30 20 GBED CNS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 275902162 UJWQFMHTJUNAFJ-CQSZACIVSA-N 379.442 -0.098 30 20 GBED CN(C)S(=O)(=O)c1ccc(/C(O)=N/CCN2CCCS2(=O)=O)cn1 331011421 NKGNQCXNAFQOSL-UHFFFAOYSA-N 376.460 -0.328 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 349469770 BMXCYBSJPYVSLW-AAVRWANBSA-N 377.488 -0.399 30 20 GBED CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N[C@H](C)C1 349501807 NLYUCPCXXGCTKC-VXGBXAGGSA-N 380.492 -0.910 30 20 GBED COc1cc(C)nc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)n1 349502795 OZXRPWSJFUQACZ-UHFFFAOYSA-N 389.459 -0.289 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@H]1O 349534356 HYTOZFNJSOPXKW-YNEHKIRRSA-N 397.544 -0.520 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 349546555 DSTUXCZNUVDOIM-JHJVBQTASA-N 377.488 -0.304 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](S(=O)(=O)NC)C2)c1 362132989 WTKRIUWAAPSJBK-AWEZNQCLSA-N 387.483 -0.085 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)Cn3cc(S(N)(=O)=O)cn3)n2)c(F)c1 367786709 VMZYBXIYWFXVKT-UHFFFAOYSA-N 389.372 0.366 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(CCS(N)(=O)=O)CC2)c(F)c1 531251920 QGXVFFBYKKESGN-UHFFFAOYSA-N 376.435 -0.708 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCO[C@H]3C3CC3)CC2)c1C#N 565627042 SKNAKMOVNVJDNI-HOTGVXAUSA-N 386.456 -0.068 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)c1C#N 588056570 YIVRCMTXYYQNJQ-MRXNPFEDSA-N 399.499 -0.151 30 20 GBED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CC(N)=O 589157370 WCCYRSZWLVGYLS-UHFFFAOYSA-N 387.465 -0.363 30 20 GBED N#C[C@H]1CN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CCO1 594292068 NMCIFUVPGDFUAT-YDHLFZDLSA-N 383.401 -0.299 30 20 GBED N#CC1(NS(=O)(=O)c2cccc(S(=O)(=O)N[C@H]3C[C@H](C(N)=O)C3)c2)CC1 600758949 CEAUOEYLRZRFFW-XYPYZODXSA-N 398.466 -0.437 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(N)=O 608911376 CUPHSWGQXXVOSI-UHFFFAOYSA-N 388.424 -0.437 30 20 GBED CCOC(=O)CN(C)C(=O)CSc1nc(N)c(-c2nn[nH]n2)cc1C#N 736596546 QRMXDHLJISXNRU-UHFFFAOYSA-N 376.402 -0.171 30 20 GBED CCOC(=O)c1cnn(C)c1NC(=O)Cn1c(N)nc(C#N)c1-c1nn[nH]n1 736606005 UDBHKCBXRAGPIV-UHFFFAOYSA-N 385.348 -0.934 30 20 GBED C#CCNC(=O)CN1C(=O)N[C@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O 749012263 UGGSHCHJKNNJJJ-INIZCTEOSA-N 379.369 -0.500 30 20 GBED C[C@H](CNC(=O)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)S(N)(=O)=O 781971733 CUMVRZQALQUBTD-RISCZKNCSA-N 380.426 -0.749 30 20 GBED CN(C)S(=O)(=O)CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 812196440 QIJIGBJTDHOHOO-RYUDHWBXSA-N 389.478 -0.064 30 20 GBED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)C(N)=O 819525398 DFHHKYQZHJBBKP-NWDGAFQWSA-N 382.442 -0.898 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 821038793 OJEFXCLKSFXOOY-ZDUSSCGKSA-N 397.453 -0.440 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 828980720 IOLIBJJKWNUZFD-CAOSSQGBSA-N 387.436 -0.592 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CNC(=O)CCC2CCCC2)CC1 831560735 GQEJRUBQRGYUJV-UHFFFAOYSA-N 384.502 -0.315 30 20 GBED COC(=O)Cn1cc(C=NNc2ccc(S(=O)(=O)NC3CC3)cn2)nn1 834939711 NTFHQVKJUGOTAN-UHFFFAOYSA-N 379.402 -0.267 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)NC)cc1 848941970 PZNDUURWTXSWKA-GFCCVEGCSA-N 398.466 -0.753 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 893231086 SZWCPCWRFFNPQV-RBSFLKMASA-N 384.502 -0.015 30 20 GBED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccnn2C)c1=O 914565143 WASHWCDLYLRBTD-UHFFFAOYSA-N 387.465 -0.585 30 20 GBED C=CCn1cc(C(=O)N2CCOC[C@H]2CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nn1 964367011 MKFZGKYQFZJOTK-KQTLUZQSSA-N 375.429 -0.011 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1O 1023942315 UKUJYEKTCXHHCR-DCDXPUDHSA-N 376.413 -0.937 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 1025232278 OMYDFCWRKFIAIJ-DGAVXFQQSA-N 386.412 -0.593 30 20 GBED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C2CC3(C2)NC(=O)NC3=O)n1 1055052866 CTVZBEBQFYBETQ-JXYBCCIXSA-N 381.396 -0.438 30 20 GBED C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)C1 1288977384 MQJQGGUGMXLVGR-LRDDRELGSA-N 395.489 -0.092 30 20 GBED CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1293113848 PCGHPEBQWBHMMC-WMLDXEAASA-N 394.501 -0.433 30 20 GBED CC[C@H](C#N)Oc1cccc(CNC(=O)C(=O)NCCS(=O)(=O)NC)c1 1322728521 ZBXIALWCHRRMKY-CYBMUJFWSA-N 382.442 -0.351 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)nn1 1325948093 SLFCYVQTZVZPRU-INIZCTEOSA-N 375.477 -0.681 30 20 GBED C=CCOCCNC(=O)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 1330190491 WSNIPBPZBQRGTO-UHFFFAOYSA-N 399.473 -0.992 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCO[C@@H](c3ccnn3C)C2)CC1 1334992112 HQMLDGKHUQGODI-MRXNPFEDSA-N 387.440 -0.692 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCC([C@H]2CCOC2)CC1 1346276576 LCAWCZBHWHTMKO-VUAZUDAXSA-N 390.440 -0.096 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc(C(=O)NC(C)C)n1CC(=O)NC(C)C 1574937358 JXEPCYKEGYALLV-UHFFFAOYSA-N 387.448 -0.301 30 20 GBED C#CCNC(=O)[C@@H](C)NC1CC2(CC(NC(=O)CCOCc3cnn[nH]3)C2)C1 1574985478 DHEYFONUVZRQNU-LSOFMIKDSA-N 388.472 -0.134 30 20 GBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)c3ccc(-c4cnn[nH]4)cn3)[C@@H]2C1 1575004280 CVMCKHCQIKDUIG-WMLDXEAASA-N 379.424 -0.238 30 20 GBED N#CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)CSCC#N)CC1 1577706944 ZFOHJWPIUJFDDP-UHFFFAOYSA-N 390.473 -0.506 30 20 GBED N#Cc1cc(C(=O)NC2CN(C(=O)C3CCN(Cc4cnn[nH]4)CC3)C2)c[nH]1 1577712564 QULKAEWSGKXDIU-UHFFFAOYSA-N 382.428 -0.143 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)COc2ccccc2-c2nn[nH]n2)CC1 1588659239 JNODCWYBNRUFTI-UHFFFAOYSA-N 385.428 -0.308 30 20 GBED C=CCOCCCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1O 1588682243 KNSZKUMPDCLLJI-ZIAGYGMSSA-N 389.416 -0.521 30 20 GBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN(c4ccc(-c5nn[nH]n5)nn4)C[C@@H]32)nn1 1588713271 IYAUXVAAERDSER-MSRIBSCDSA-N 379.388 -0.701 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588721195 DMQCNFJUAQGZLV-QQUHWDOBSA-N 387.400 -0.913 30 20 GBED N#CCSCC(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1592679343 NJEGVJDRBNPPDU-UHFFFAOYSA-N 378.418 -0.998 30 20 GBED C[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C(=O)O)O1 1604356121 ZGTCVADLPIAZQN-MJVIPROJSA-N 381.410 -0.074 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CS(=O)(=O)C3CC3)CC2)cc1 1625121508 WBYGGVXEBDCSMI-UHFFFAOYSA-N 397.478 -0.032 30 20 GBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1783052276 CIDYMSBDNOQEPF-LIRRHRJNSA-N 395.456 -0.275 30 20 GBED Cc1cc(C)n(CCC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n1 1783567015 CPRJLRLZDRDUKJ-LJQANCHMSA-N 388.424 -0.192 30 20 GBED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21 1788603974 DXDMHDXTJJLECQ-MQUULEJCSA-N 396.488 -0.553 30 20 GBED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1797839952 JIBDVVSYLYYVEH-ZKJAZCHJSA-N 390.440 -0.989 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(O)nnc2O)cc1 1798598876 IORZNJZWSMPZMY-YWVIFJGQSA-N 397.391 -0.485 30 20 GBED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1 1800521772 NPHDMLKUQCAECL-AFIMGQEJSA-N 379.457 -0.305 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 1801066886 GHKRKLMYIWYMRD-JBXGNFEISA-N 393.484 -0.325 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)NC3)CCO2)C1 1829944193 AVPHENRZWISOQJ-AUUYWEPGSA-N 392.456 -0.481 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1835704944 ABIDDXMYSFTKFT-ICSRJNTNSA-N 386.452 -0.049 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836132212 OWFUEBQOQKOXGJ-YJBOKZPZSA-N 393.444 -0.674 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1838073284 CABVNCDINKPYPI-IRXDYDNUSA-N 396.532 -0.156 30 20 GBED C=CCC(=O)N1CCC(OC2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1838761080 WYDXKAKMDGJICX-UHFFFAOYSA-N 397.516 -0.152 30 20 GBED C[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)CCCN1 1839121022 LBJBWOVPVNRABF-IEBWSBKVSA-N 376.457 -0.111 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839235278 QRGKTUAMQJVISH-QAPCUYQASA-N 393.444 -0.674 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1839840353 DSHOVGIBWGWUFY-XLIONFOSSA-N 395.500 -0.013 30 20 GBED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cn1C 1840042608 DWQPUPFOULYRBN-LJQANCHMSA-N 389.408 -0.508 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1840167309 ISUGKGFTYFTABB-QGZVFWFLSA-N 386.470 -0.709 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1840168483 KXEVPXDFOLYCPH-SFHVURJKSA-N 376.413 -0.878 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NNC(=O)C4)C3)C2)CCC1 1840814130 PXEKTZATUMGMNP-SFHVURJKSA-N 389.412 -0.987 30 20 GBED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1 1842948468 RGPDLQCKXPNDGV-OAHLLOKOSA-N 399.451 -0.267 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCN1CCOC1=O 1847261720 FHNMIUOETPNTQL-CGXNLCPXSA-N 390.440 -0.111 30 20 GBED C=CCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 267458337 YSIWWTCWGYBJEZ-UHFFFAOYSA-N 399.411 -0.453 30 20 GBED C=CCN(CC=C)C(=O)[C@H](C)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 276401994 KPAHYIVYNMWBTB-AWEZNQCLSA-N 376.461 -0.462 30 20 GBED COCCN(C)CCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 285886094 IZMGANASYRKBCI-GOSISDBHSA-N 387.484 -0.083 30 20 GBED CC(C)Cn1c(=O)/c(=C/c2cnn(C)n2)s/c1=C(/C#N)C(=O)N1CCCC1 297673545 ABYZUEPKSKVSCA-VWJASPTNSA-N 386.481 -0.180 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O 297687164 DCWMVFCCKWYBLM-CQSZACIVSA-N 388.424 -0.191 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 299615251 ZLSJLTROOXTRGI-UHFFFAOYSA-N 392.416 -0.110 30 20 GBED Cc1c(NS(=O)(=O)CCCS(=O)(=O)N(C)C[C@H](C)C#N)nnn1C 349514877 GANQMZJUSHIDCA-SNVBAGLBSA-N 378.480 -0.323 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H](C)C#N)ncc1C#N 349571080 DYRGUXYXNQZEOE-NSHDSACASA-N 385.471 0.473 30 20 GBED COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN2C(=O)C(=O)NC[C@H]2C1 370619981 IWNDYPOMTWEGKB-GJZGRUSLSA-N 399.451 -0.027 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 374112237 GTANOMGMPZKPQU-NILFDRSVSA-N 376.438 -0.038 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CNCCCO2)CCN1Cc1ccccc1 420180467 BNFGZJUUSZMVEH-MSOLQXFVSA-N 385.468 -0.282 30 20 GBED CC(=O)N[C@](C)(C(=O)N1CC(O)(CC#N)C1)c1ccc(S(C)(=O)=O)cc1 435814217 RRNMOUJUYDFZNV-INIZCTEOSA-N 379.438 -0.072 30 20 GBED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 463677526 GWTLPFUPAKUHEJ-UHFFFAOYSA-N 392.437 -0.322 30 20 GBED COC(=O)CCN(C)S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465494714 JHZHLZOGYPIURZ-LBPRGKRZSA-N 382.446 -0.402 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(NS(C)(=O)=O)c2)C1=O 499087760 UKGSCOBUWAGQAD-UHFFFAOYSA-N 380.382 -0.027 30 20 GBED N#CCNC(=O)CNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 511918060 YXDXSIQDUXUSRX-UHFFFAOYSA-N 380.386 -0.237 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C 515452304 WIZJJHIRYNBPIL-UHFFFAOYSA-N 385.445 -0.353 30 20 GBED N#Cc1cccc(CCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 521596008 IQZRYJWMIQKJQS-NVQRDWNXSA-N 396.407 -0.036 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCNC(=O)N(C)C 538624726 IJGGZSHDHWXVPM-GFCCVEGCSA-N 381.458 -0.045 30 20 GBED C=CCNC(=O)CNC(=O)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 540756461 VSXRFYGEHGSOTO-NSHDSACASA-N 397.457 -0.477 30 20 GBED C[C@@]1(C(N)=O)CCN(S(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)C1 576530579 XKHVQJFOAAUYCW-CQSZACIVSA-N 386.455 -0.626 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1 592319979 ZGOMSOFMKHYUGT-LBPRGKRZSA-N 396.421 -0.294 30 20 GBED COCCn1c(N)c(C(=O)CN2CCN([C@@H](C#N)C(C)C)CC2)c(O)nc1=O 599181653 KXYDUQUJWQJERV-ZDUSSCGKSA-N 392.460 -0.474 30 20 GBED CCOC[C@@H]1CN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CCO1 599546039 VLZAZBVRIFQHSL-LBPRGKRZSA-N 378.433 -0.482 30 20 GBED CC#CC[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 649187888 ZGJMTVHBIRMRMD-STQMWFEESA-N 379.438 -0.423 30 20 GBED CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCOC)c2=O)cn1 732561325 LXUVMJABGHVIOD-UHFFFAOYSA-N 387.465 -0.446 30 20 GBED N#Cc1ccc([C@H](OC(=O)C2=NC=CN3CCS(=O)(=O)N=C23)C(N)=O)cc1 734557053 BSXYGNKEKRNSJR-ZDUSSCGKSA-N 387.377 -0.402 30 20 GBED C#CCNC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O 748767244 VWOBBKAFIFDRTP-YGRLFVJLSA-N 388.829 -0.340 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(C(C)C)c2)c1=O 758082141 BMEJBPFXYNBKOX-UHFFFAOYSA-N 399.476 -0.414 30 20 GBED C#C[C@@H](NC(=O)C(=O)Nc1cccn(CC(=O)OCC)c1=O)[C@@H]1CCCO1 773796171 XUXBBDGQMJMONC-OCCSQVGLSA-N 375.381 -0.353 30 20 GBED N#C[C@@H](C(=O)CN1CCc2ccccc2C1=O)C(=O)N1CCS(=O)(=O)CC1 789424104 ADNVHMOXUSRTHC-HNNXBMFYSA-N 389.433 -0.349 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC(=O)N(CC(F)(F)F)C1 792689281 VKLIVNSKXOWLFR-UHFFFAOYSA-N 390.343 -0.084 30 20 GBED N#CCCN(CCN1CCOCC1)C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 822811027 QZCYYKLGDQJVGX-CQSZACIVSA-N 386.464 -0.347 30 20 GBED O=C(N[C@H]1CCCN(O)C1=O)c1cccc(C(=O)N[C@@H]2CCCN(O)C2=O)c1 848134796 DXSVSPXWYCLPCU-OKILXGFUSA-N 390.396 -0.093 30 20 GBED C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)N=c1nc(C)[nH]n1CC 848960666 GHVKFQIZBZRGGW-LLVKDONJSA-N 377.492 -0.557 30 20 GBED C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2ccncc21 848965939 YHUTTWJKLUTAOS-CYBMUJFWSA-N 386.499 -0.001 30 20 GBED C=CCN(CC=C)C(=O)[C@H](C)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 856408571 NOQMTFKQPQODBJ-LBPRGKRZSA-N 389.412 -0.434 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)NCCCOC)c1 921207482 IKARQENTPTZGPD-UHFFFAOYSA-N 381.454 -0.177 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)CN3CCCNC3=O)C[C@@H]21 960979262 WAQSRIOSJSRXRX-FXUDXRNXSA-N 392.456 -0.569 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)Nc2c(C)nn(C)c2C)C[C@H]1O 1077699244 ZTYIBSRWAQMIFJ-FPCVCCKLSA-N 391.472 -0.272 30 20 GBED C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCNC(=O)C1 1110424143 HGYVWGVBVFCYGP-OAGGEKHMSA-N 378.473 -0.351 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)CCO1 1116918607 GNMMLCJTTYLLKE-CYBMUJFWSA-N 392.503 -0.654 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3nnnn3C3CC3)CC2)c1 1117469955 GDQHFRXRIXLPBQ-UHFFFAOYSA-N 381.400 -0.760 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 1117873521 QPXRJVXAGZRRJM-UHFFFAOYSA-N 397.497 -0.630 30 20 GBED C#CCCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1c1cn(C)cn1 1130672596 UPFRPDRAGZKLLO-XOYOTBSWSA-N 387.484 -0.037 30 20 GBED C=CCN(CC=C)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 1220048182 OAGYXYYJEKFGGM-KONPQCLYSA-N 387.484 -0.115 30 20 GBED COC(=O)COc1cccc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 1263290641 YDCTXCDKQAZJOK-CQSZACIVSA-N 394.405 -0.182 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(C(N)=O)c(Cl)n2)CC1 1321290359 LDQHABDECRWWJV-UHFFFAOYSA-N 377.832 -0.269 30 20 GBED COc1ccccc1CCNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1321352773 PLHPXKTXRPZCFP-MSUUIHNZSA-N 386.408 -0.004 30 20 GBED C#CCCCCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1322907958 SKTDYJRSPCYTIA-OAHLLOKOSA-N 385.486 -0.441 30 20 GBED CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1322962146 MYNXMVCRWSJFND-HJPHCXOUSA-N 389.456 -0.286 30 20 GBED CN(C[C@H]1COCCO1)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1327951790 JANBGLDEJTXRFM-INIZCTEOSA-N 387.440 -0.088 30 20 GBED C#CCCn1nnnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 1334346485 FLPHIAZDRIUVOM-OKILXGFUSA-N 383.478 -0.828 30 20 GBED C#CCN1CCC[C@H]1c1nnc(N2CCN(S(=O)(=O)N(C)C)CC2)n1CC 1339298531 VRQBVYGFSUNIOX-HNNXBMFYSA-N 395.533 -0.004 30 20 GBED C=CCN(C(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@@H](C)COC 1347004378 QHPVZLCHLLFHBV-INIZCTEOSA-N 380.489 -0.198 30 20 GBED CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@H]1OC 1347233453 GUUDTLMFUKVUFT-ZMSDIMECSA-N 387.440 -0.090 30 20 GBED Cc1ccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(=O)n1C 1347307118 JVIPBKFLCWXKRQ-UHFFFAOYSA-N 394.435 -0.075 30 20 GBED C=CCOCC(=O)N1CCC[C@H](N(CCO)c2cncc(-c3nn[nH]n3)n2)C1 1573343751 RXSZVDBKNBAWRJ-ZDUSSCGKSA-N 388.432 -0.351 30 20 GBED C=CCn1cc(C(=O)NC[C@H](C)N(C)C(=O)[C@H](C)OCc2cnn[nH]2)nn1 1575112747 XCJHPRYSOQBISI-RYUDHWBXSA-N 376.421 -0.236 30 20 GBED N#CCSCC(=O)NCCN(CCO)C(=O)c1ccc(-c2cnn[nH]2)cn1 1577710071 NVHJEDAIKUBVRP-UHFFFAOYSA-N 389.441 -0.326 30 20 GBED CN(C)C(=O)Cn1c([C@H]2COCCN2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1578401443 IOXVJMBZNOAYCB-LSDHHAIUSA-N 388.476 -0.796 30 20 GBED C#CCOCCC(=O)NC[C@H]1CN(c2snc(C)c2-c2nn[nH]n2)CCO1 1588362285 YNTFILBWOVFWCG-LBPRGKRZSA-N 391.457 -0.007 30 20 GBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588658469 LTFGVNGJMLVTCO-LLVKDONJSA-N 387.404 -0.989 30 20 GBED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1590758706 XVUWWJONLAFYCP-NSHDSACASA-N 399.415 -0.234 30 20 GBED N#Cc1cc(CNC(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)ccn1 1592688126 AXTGIJNLIRXRHE-UHFFFAOYSA-N 398.408 -0.272 30 20 GBED C#CCN1CCN(c2nnc(-c3cncc(-c4nn[nH]n4)c3)n2CCOC)CC1 1602722341 MZUXTOBXXHUXMS-UHFFFAOYSA-N 394.443 -0.078 30 20 GBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN(c4nccnc4-c4nn[nH]n4)C[C@@H]32)nn1 1602882478 KJIBTFROYRFDQE-IAZYJMLFSA-N 379.388 -0.701 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@](C(=O)O)(C(F)(F)F)C2)C1=O 1609373569 GUNKJFVILZJDHB-ZDUSSCGKSA-N 377.275 -0.171 30 20 GBED N#Cc1cn(CCC(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)c(=O)nc1O 1622096476 PJJREPGFAMUBJH-CABCVRRESA-N 375.429 -0.030 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780062246 DZOOACVGFPFNLU-FQEVSTJZSA-N 395.419 -0.054 30 20 GBED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)n1ccccc1=O 1783563801 AEHGKEDQRQCBII-IFXJQAMLSA-N 387.392 -0.673 30 20 GBED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786884282 DMSYYIVAQCFTOL-XQLPTFJDSA-N 398.529 -0.522 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnn1)C2 1792490034 IUBTUOXVSCHCDL-IDZYNVOGSA-N 385.424 -0.462 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793941441 MGLMKHJFZGJAQS-NWJSVONSSA-N 396.469 -0.907 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c3nccc-3c1)C2 1800776162 VKJLEYCZDJXHRG-XOIINTDNSA-N 382.376 -0.194 30 20 GBED C[C@@H](C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1)n1cnnn1 1831672931 VDWXQUNMVYGXMA-ZFWWWQNUSA-N 388.428 -0.058 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1835413612 IFLSHDNOEIZZQH-HXUWFJFHSA-N 391.468 -0.131 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](N)c4ccccn4)CCO3)C2)CC1 1835700285 XBYHEFDRLNJXTN-OXJNMPFZSA-N 399.451 -0.158 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1nc(N)n[nH]1)CCO2 1837272490 WNXUEJPIWFDVAZ-KRWDZBQOSA-N 391.432 -0.920 30 20 GBED C#CCCC(=O)N1CCC(OC2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1837885901 YDWUJJFDSALPLH-QGZVFWFLSA-N 392.500 -0.009 30 20 GBED CN(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838735070 VFPOJYHVJUMMNR-LJQANCHMSA-N 389.456 -0.092 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846033875 CVJKBBACPMIIFE-HNNXBMFYSA-N 383.489 -0.951 30 20 GBED C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNCP(=O)(O)O 1848061811 CDZVHTYXJYPHLN-RYUDHWBXSA-N 377.403 -0.168 30 20 GBED Cc1ccc(S(=O)(=O)NCC/N=C(\N)NCCCN2CCOCC2)s1 269412266 XGYUTPPUKDILDA-UHFFFAOYSA-N 389.547 -0.039 30 20 GBED N=C(O)[C@@H]1CC[C@H](C/N=C(/O)N2CCN(C(=O)CN3CCOCC3)CC2)O1 329951923 MRDRQHWFOOVGEY-KGLIPLIRSA-N 383.449 -0.540 30 20 GBED C[C@H](C/N=C(/O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCCCC1=O 330087120 MXUGHGBDWSQXNA-LLVKDONJSA-N 376.417 -0.209 30 20 GBED N#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nccs2)CC1 349524038 PJURLCFUQLPVCU-UHFFFAOYSA-N 393.516 -0.254 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)CC1 349544877 PWMUIKHFQZHMEB-JHJVBQTASA-N 377.488 -0.161 30 20 GBED C=CCN1CC[C@H](N(C)CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1=O 410313237 ZOZJQARHXXWDGJ-INIZCTEOSA-N 393.532 -0.236 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CNC[C@@H]32)C[C@@]12C(=O)Nc1ccccc12 423719124 BYXAFCNBNDLCNU-AWUHREGDSA-N 379.420 -0.321 30 20 GBED C=CCOC[C@H](NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)OC 435935699 KABDQVZANCAKFN-SJCJKPOMSA-N 397.428 -0.538 30 20 GBED COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 445199831 SLPVSAHLSNWBIE-ZIAGYGMSSA-N 398.379 -0.398 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C[C@H](CO)O1 459863365 JQTUNJXWHBYJKE-CRAIPNDOSA-N 386.452 -0.189 30 20 GBED CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 566548250 UNVMLSYWFXCYCV-ZDUSSCGKSA-N 385.346 -0.017 30 20 GBED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC(=O)N1 571333513 OGOXJXAWTINHIV-GHMZBOCLSA-N 378.410 -0.342 30 20 GBED CN(C)CCCOc1cnccc1CNS(=O)(=O)N1CCO[C@H](C#N)C1 580491790 UFMBVTLFOGSYNR-OAHLLOKOSA-N 383.474 -0.029 30 20 GBED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 590986010 IEJYEKVBOMFDBP-NVXWUHKLSA-N 383.452 -0.040 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)NCC2(O)CCC2)s1 594637665 XSSUMECDIGLBLY-UHFFFAOYSA-N 394.500 -0.019 30 20 GBED CN(C)S(=O)(=O)N[C@H](CNC(=O)NCCn1cnc(C#N)n1)C1CCCC1 596713351 OJSLMCFLCWITRT-CYBMUJFWSA-N 398.493 -0.596 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1cccc(CC#N)c1 619495260 GNFKIDPBAUGOQB-OAHLLOKOSA-N 395.437 -0.179 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)C1=O 659057380 CZHJQPZSWWJJHH-NSHDSACASA-N 377.401 -0.113 30 20 GBED C#CCNC(=O)C1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 747818442 RTQDDIPEFPRRID-UHFFFAOYSA-N 398.467 -0.035 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 751205361 CJBZIHVCJJWEOK-UHFFFAOYSA-N 389.441 -0.248 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cc(C)ccc2S(N)(=O)=O)CC1 767412614 TYVBCPMRYHWRNB-UHFFFAOYSA-N 378.454 -0.850 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)CC1 769022062 UYZCXXZXBGKJJI-HXUWFJFHSA-N 397.435 -0.752 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCC[C@@H](N2CCNC2=O)C1)c1cc[nH]n1 772146240 POFKZCUZBVODIJ-GFCCVEGCSA-N 392.416 -0.290 30 20 GBED N#C[C@@H](C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(=O)N1CCS(=O)(=O)CC1 779209377 MWWOSZABXFMUFU-JTQLQIEISA-N 395.349 -0.097 30 20 GBED CNC(=O)CCCC(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 781231373 HITMLYDWEQSUGH-UHFFFAOYSA-N 377.401 -0.037 30 20 GBED CN(C(=O)COC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(C)(C)C#N 785662716 MBJIAMZBQJGWQE-CQSZACIVSA-N 380.445 -0.529 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(c2ccc(OCC)nn2)CC1)[C@@H]1CCCO1 829213877 DBJCHRUEABHOJB-GJZGRUSLSA-N 387.440 -0.179 30 20 GBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 844112843 ZRJKTSXCNPMMCX-NEPJUHHUSA-N 395.437 -0.502 30 20 GBED Cn1c(=O)c2ccc(C(=O)NCCNc3ccc(C#N)cn3)nc2n(C)c1=O 914860750 NOIOZQMZIXWULY-UHFFFAOYSA-N 379.380 -0.259 30 20 GBED C#CCN1CCC(C(=O)N2CCO[C@@H]3CN(C(=O)[C@@]45COC[C@@H]4C5)C[C@@H]32)CC1 960499097 LUMCVEYLDPQZMH-UGNRZPKXSA-N 387.480 -0.194 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 967393175 TWDMGSUCLCARED-XRGAULLZSA-N 392.456 -0.603 30 20 GBED C=CC(C)(C)C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 990958963 FUPKKCLYSFCSFC-ZOBORPQBSA-N 390.444 -0.609 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 994647345 LFQMMAMFYSNOHF-TUVASFSCSA-N 392.456 -0.318 30 20 GBED Cn1c(O)ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)c1=O 999098236 HRVOBBBSXSXFQS-SWHYSGLUSA-N 382.380 -0.139 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@H]1O 1023939911 SJUALYBKNTUWKK-CRNXPOROSA-N 389.456 -0.175 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(C)c2OC)C1 1024964788 BXCPYDQKBMQJLK-NGFQHRJXSA-N 378.429 -0.289 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnc(NC(C)=O)c2)C1 1025233404 BHRNLIAVYBCNIG-FPCVCCKLSA-N 388.424 -0.067 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2ccnc(C(=O)OC)n2)C[C@@H]1O 1044660673 IIWBUYMJXPBVAB-XFMPKHEZSA-N 376.413 -0.090 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)n1cncn1 1109157383 DNIWAWJGPMVFNS-CRWXNKLISA-N 375.433 -0.428 30 20 GBED C=CCNC(=O)NC(=O)CNC[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[C@H]1C(N)=O)C2 1112530601 CELCQBBMUGQZGO-LJPSSGMGSA-N 391.472 -0.662 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)nn1 1261447836 HRPUUZOORUZJJF-NZBPQXDJSA-N 398.423 -0.996 30 20 GBED CS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1302471502 VQTXWJITUUTNCM-HNNXBMFYSA-N 384.437 -0.113 30 20 GBED N#Cc1cccc(CNC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1 1319095022 OUNGEOSGRXWONB-UHFFFAOYSA-N 396.407 -0.132 30 20 GBED N#Cc1ccc(NC(=O)CCN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 1319643896 NZKYMQCHYJNFCV-IRXDYDNUSA-N 392.481 -0.338 30 20 GBED CC(=O)N[C@](C)(C(=O)N[C@@H]1CNC[C@@H]1C#N)c1ccc(S(C)(=O)=O)cc1 1326611145 CIOXPWGWOOLBFZ-MJEQTWJJSA-N 378.454 -0.331 30 20 GBED C=CCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@@]1(O)CCOC1 1340624434 QTWRIBUVBCQQMY-HNAYVOBHSA-N 390.488 -0.185 30 20 GBED Cc1ccc(C#N)c(N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 1571139626 KDUBQBLTGIAEOD-KGLIPLIRSA-N 379.384 -0.251 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)C2(Cc3cnn[nH]3)CCC2)CCO1 1575012732 GPDLNLVFWJEXEZ-GOEBONIOSA-N 389.456 -0.101 30 20 GBED CC#CCN1CCN(C(=O)[C@@H](C)OCc2cnn[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1575122010 BMHDJAWHPXWHCO-VHDGCEQUSA-N 381.458 -0.957 30 20 GBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC[C@@H]21 1588354745 XXUDWWDRLGWRMC-DOMZBBRYSA-N 382.428 -0.519 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]21 1588355543 JNOHKTLWAULKMD-TYNCELHUSA-N 383.412 -0.094 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)O)cc(F)c2C)CC1 1588483767 HTUQPWRZVCHUJZ-UHFFFAOYSA-N 397.428 -0.112 30 20 GBED C=C[C@](C)(O)CC(=O)NCCN1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 1588504209 JRZKBQFYFWIFIC-KRWDZBQOSA-N 387.448 -0.778 30 20 GBED N#Cc1cc(C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)c[nH]1 1592687895 NQXRZIHSILUTGV-GFCCVEGCSA-N 380.372 -0.508 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(c2snc(C)c2-c2nn[nH]n2)C1 1602724060 AEXDJJFYSZYGNY-BDJLRTHQSA-N 391.457 -0.273 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(C(=O)O)C[C@@H]2c2ccccc2)CC1 1602726398 OYVYNJIFEHPCOT-QAPCUYQASA-N 391.449 -0.143 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)cc1 1780696171 MOWJAUVKSLEHME-JXFKEZNVSA-N 399.451 -0.405 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)cc1 1780697463 GEHPJGOIZCCPCF-LJQANCHMSA-N 381.392 -0.122 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4ncccc34)[C@H]2C1 1787377958 JTYYXDMDZPEAOR-NOLJZWGESA-N 397.391 -0.589 30 20 GBED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1789955956 ZLXYZWLOLPOMQJ-OSFYFWSMSA-N 393.444 -0.357 30 20 GBED CC(=O)N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)C(C)(C)C 1793197107 NDJMZFDYONQASZ-DLTLXFJOSA-N 393.440 -0.785 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nsnc1NC)C2 1793341444 RALVVZKKFAUDOY-FVCCEPFGSA-N 393.469 -0.179 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)NCC(C)C)C2 1793342992 DTEAZDMVDJNVCG-JONQDZQNSA-N 379.457 -0.614 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1793360685 YIJMZLZFHVLYDL-QJZXKKCJSA-N 398.456 -0.217 30 20 GBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 1795848620 QLXMUBNYPBSNOC-OHTBPHCPSA-N 381.454 -0.083 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2ccnc12 1797455756 QZHCXANUHQTEJI-FVCICTRLSA-N 382.376 -0.375 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc2c(c1)CCO2 1800689778 SGUSUDCGDQGOTL-VPTLXERWSA-N 398.415 -0.158 30 20 GBED N#CCCC(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1 1810491797 NMPZALXVRLAKSP-UHFFFAOYSA-N 398.427 -0.039 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831563728 JHJFEXZGCULSAU-SUNYJGFJSA-N 397.428 -0.858 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831576896 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C=CCNC(=O)NC(=O)CN1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 441060153 IPZXEGPLSSJOMW-ZDUSSCGKSA-N 386.408 -0.005 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](C)N(CC(=O)NC(=O)NCC=C)C[C@@H]1C 441632964 IZSSCNKIWSWCCZ-OKILXGFUSA-N 394.476 -0.595 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)n1 444663983 ZYOCTRGOFUOXFD-FQEVSTJZSA-N 396.451 0.488 30 20 GBED CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 502288568 BCZFOCFFPFLBRE-CVEARBPZSA-N 387.440 -0.088 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)CC1 588127829 RJHBNOJQZVQRDP-LBPRGKRZSA-N 389.378 -0.240 30 20 GBED CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CNc1ccc(C#N)cn1 591237768 WMAVXWGOWLXZHJ-CYBMUJFWSA-N 394.453 0.332 30 20 GBED CN1CCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@H](CN)C1 591582716 WCXHQBPQSGVIBL-GOSISDBHSA-N 384.484 -0.696 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cc(CO)nn2)CC1 610768804 WLMUMCZZZVHNTA-UHFFFAOYSA-N 390.425 -0.825 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccccc2NS(=O)(=O)CC)CC1 728530889 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C=CCn1c(S)nc2cc(C(=O)NCC(=O)NCC(=O)OC)ccc2c1=O 818983892 QEIIUJRECJFAPJ-UHFFFAOYSA-N 390.421 -0.110 30 20 GBED CC(=O)N1C[C@H]2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C[C@H]2C1 820407892 HRYJCLUPNLJQBC-BETUJISGSA-N 376.438 -0.338 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 829660452 XUQCWDXFLNJDRE-UHFFFAOYSA-N 394.516 -0.603 30 20 GBED COC[C@@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)C#N)cc1 848941895 NDDCEHGNUGQIGF-RYUDHWBXSA-N 391.471 -0.495 30 20 GBED C#CC1(O)CCN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CC1 899116827 XAZRFDPATSBKGM-UHFFFAOYSA-N 394.229 -0.121 30 20 GBED C=CCn1cc(C(=O)N2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)CC2)nn1 1011154761 IVRDELQLZVTBAT-OFQRWUPVSA-N 375.429 -0.200 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@H]1O 1025711351 OGZZSJCRNXMKNF-FPCVCCKLSA-N 379.457 -0.332 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)n(C)c(=O)n1C 1111488366 IDNNVQKALGLXCK-XNISGKROSA-N 376.457 -0.103 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CCN1Cc1ccccc1 1117603776 AVQOGKUNBYUEBW-ZACQAIPSSA-N 399.451 -0.628 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 1220391442 JDEVDOPYJYCJIH-SYQHCUMBSA-N 376.413 -0.444 30 20 GBED CC(=O)NCCCc1nn(C)c(NS(=O)(=O)[C@H](C)C(=O)N(C)C)c1C#N 1257206978 MUUKZVGBFLBZMD-SNVBAGLBSA-N 384.462 -0.421 30 20 GBED N#C[C@H]1CN(c2nnc(CC3CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1316541543 ZTGUFCIVBVBQPW-BBRMVZONSA-N 381.458 -0.491 30 20 GBED C#CCNC(=O)C1CCN(C(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 1321776135 WOSOLSCAXFYPIN-AMMHQNNLSA-N 387.436 -0.475 30 20 GBED CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)NC1CCN(CC#N)CC1 1322824137 QLBLYVJWTHJJCC-UHFFFAOYSA-N 397.435 -0.155 30 20 GBED C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 1322948073 ABQVVRRJBBPPND-OWCLPIDISA-N 398.529 -0.507 30 20 GBED CC(C)(CNC(=O)C(=O)NCc1cccc(OCC#N)c1)NS(C)(=O)=O 1323466292 NKUQBUIYRJIUHB-UHFFFAOYSA-N 382.442 -0.351 30 20 GBED 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DTJKCILNQYWJDD-KEODLESXSA-N 376.325 -0.786 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)C1 1829673272 IGTMZEZEVPSQIN-YWZLYKJASA-N 391.468 -0.065 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1829959529 HBTFWMKHKKUKCJ-GDZNZVCISA-N 385.486 -0.713 30 20 GBED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)o1 1831801230 JDGYPIWQVHBQGH-GOSISDBHSA-N 376.365 -0.254 30 20 GBED O=C1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)N1 1835302272 WYLCNPFIZQQICY-BEFAXECRSA-N 375.425 -0.865 30 20 GBED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=N)N)CCO2 1835578962 KODHMFULBVWVQA-GOSISDBHSA-N 379.461 -0.881 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1837397349 PJYJKKGOPGUWII-ACJLOTCBSA-N 393.444 -0.552 30 20 GBED CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1839857220 UFHAVBBIRYBNOJ-DOTOQJQBSA-N 387.502 -0.467 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1840841673 NXRVKYAQMCPJNB-IBGZPJMESA-N 389.408 -0.024 30 20 GBED O=C1NC(=O)[C@@H](CC(=O)N2CC3(CCCN3C(=O)C#Cc3ccccc3)C2)N1 1842729947 QSXPRQIDUXKNHW-OAHLLOKOSA-N 380.404 -0.160 30 20 GBED CNC(=O)C1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 68513139 KSMIUAFOGBWOKB-UHFFFAOYSA-N 376.438 -0.083 30 20 GBED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(CC(N)=O)CC2)CC1 183193210 YRAJDZZBFBHYET-HNNXBMFYSA-N 390.513 -0.440 30 20 GBED C=CCCOCCNC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 289402145 NLZWFBUKIVVDQA-UHFFFAOYSA-N 387.444 -0.279 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)C1=O 295286849 FZYQVGWXITXSLZ-PJXYFTJBSA-N 392.412 -0.055 30 20 GBED CCS(=O)(=O)NCC/N=C1/NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 305011893 KSOXBQFDLPKKMC-GFCCVEGCSA-N 375.495 -0.194 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C)C[C@@H]1C 349475166 LPKIVQSQJYTQTD-LBPRGKRZSA-N 380.492 -0.956 30 20 GBED CN1CN(S(=O)(=O)CCCCS(=O)(=O)N(C)C(C)(C)C#N)CC1=O 349607220 LRDVHFRSCFTLMT-UHFFFAOYSA-N 380.492 -0.608 30 20 GBED CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1 375004713 KQKSGEYJIZSGMU-CYBMUJFWSA-N 396.473 0.203 30 20 GBED COc1ccc(C[C@H](CO)CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1O 410126517 ANJNANZEKQTMRM-UONOGXRCSA-N 385.442 -0.389 30 20 GBED N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)cc1 419278757 HNIUBPGZVRALDY-KRWDZBQOSA-N 383.452 -0.155 30 20 GBED C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)S(N)(=O)=O 442359827 DJWDGYIIXRLGBY-ZETCQYMHSA-N 376.341 -0.109 30 20 GBED COCCCNC(=O)CN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 481132791 CCXXPDDLRKZXBN-CYBMUJFWSA-N 396.469 -0.164 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(C(N)=O)n3)CC2)nc1 504452341 UQQBBGPDJWZEDJ-UHFFFAOYSA-N 379.380 -0.266 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)C1=O 512550803 MQZOCDCULXMNNK-HNNXBMFYSA-N 398.419 -0.031 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 543757423 CMHHKBPOYOQQDV-AWEZNQCLSA-N 385.432 -0.023 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)O)C2CCOCC2)cc1 581072631 YHXBDHYGHHAUEV-UHFFFAOYSA-N 381.410 -0.071 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCCS(=O)(=O)N2CCCOC2)s1 594638754 PTXQUICUIGNPFA-UHFFFAOYSA-N 394.500 0.546 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)CC1 595165580 VCWRQZQMFDFLSK-AWEZNQCLSA-N 389.481 -0.189 30 20 GBED C=C(CNS(=O)(=O)C[C@@H]1CCOC1)CNS(=O)(=O)C[C@@H]1CCOC1 660130155 VZIHCRFQALDQGH-ZIAGYGMSSA-N 382.504 -0.546 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1 755861326 CBMDFCJUFDFPQP-UHFFFAOYSA-N 396.469 -0.573 30 20 GBED C#CCOc1ccc(C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 778122661 KBAYMQZANBWMOD-CYBMUJFWSA-N 394.405 -0.132 30 20 GBED C=CC[C@@H](NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1)c1ccncc1 805810463 FNYRXGYQQJXJEV-DLBZAZTESA-N 376.457 -0.034 30 20 GBED O=S(=O)(O[C@H]1CNOC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 809381113 KNABULYVZFXROS-NSHDSACASA-N 378.428 -0.684 30 20 GBED C#Cc1cccc(NC(=O)CN(C)c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)c1 819710258 ZUPBBWAJWOEJHZ-UHFFFAOYSA-N 394.395 -0.680 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)O)n(C)c2)CC1 825620142 XFSQLJXEDPJSIN-UHFFFAOYSA-N 382.442 -0.831 30 20 GBED C=CCn1cc(C(=O)OCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)nn1 830135417 CSOFPLSJKWWDHE-UHFFFAOYSA-N 392.460 -0.320 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1 837836561 LIOKJSWKSJXIDU-GFCCVEGCSA-N 393.400 -0.563 30 20 GBED N#Cc1ccc(F)c(CS(=O)(=O)NC(=O)CCCN2C(=O)CNC2=O)c1 851192304 GUOKGBSYBAYLLI-UHFFFAOYSA-N 382.373 -0.025 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@@](O)(CCCCCC)C(=O)OC)CC1 851872748 LEIGGALJQLDNEH-KRWDZBQOSA-N 389.518 -0.054 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CSCN2C(=O)OCC)CC1 932038053 GAIMIRZLXQQFPM-AWEZNQCLSA-N 382.486 -0.199 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](OC)C1 946837826 IRVZZRBWORERTN-REBRKWNGSA-N 376.413 -0.673 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1O 964192989 JRKIMBFCCRDNND-KRXQYRFLSA-N 379.457 -0.332 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cccc3nnn(C)c23)C1 968751378 SSDIEAMQFABFOG-FWYOQMDTSA-N 385.424 -0.139 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2nnc(O)nc2O)C1 982154561 NWBUZDTZDAVZRS-QCNOEVLYSA-N 377.401 -0.111 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CN3CC(=O)N(C)C3=O)C[C@H]21 1022750066 LSUSVUIVTQPOBF-YJNKXOJESA-N 390.440 -0.469 30 20 GBED N#Cc1c(Cl)nsc1N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1041347317 VJTPDFOOVUOKAW-DOLQZWNJSA-N 385.833 -0.633 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 1057733687 SPFGXWDCRWTVLO-QXSJWSMHSA-N 381.473 -0.194 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2C[C@@H](O)[C@@H](CO)C2)CC1 1261312180 LQYIETMSUWLANZ-MLGOLLRUSA-N 376.388 -0.842 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)CN2CCCC2=O)cc1 1318146114 MWKYQHNEJAEDBV-OAHLLOKOSA-N 388.424 -0.360 30 20 GBED C=CCc1cc(CNC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc(OC)c1OC 1322613706 WIXDPPRUQKNKSK-HNNXBMFYSA-N 391.424 -0.239 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NC[C@@H]1COc2ccccc2C1 1322678454 KIEPCHMXFBVITQ-XAGMJWQQSA-N 398.419 -0.004 30 20 GBED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1326228770 ZXKSFPCRDWCEBL-HNAYVOBHSA-N 391.472 -0.981 30 20 GBED COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1326547607 PLPSWCZSVFZJIZ-UONOGXRCSA-N 377.319 -0.183 30 20 GBED C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C(=O)N1CCO[C@H](C#N)C1 1326809161 GFZIGFHXILFBPF-GMTAPVOTSA-N 376.335 -0.205 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)n1 1327562420 OHMZXEVCBNOJBH-ZDUSSCGKSA-N 381.458 -0.985 30 20 GBED C=CCn1c(C[C@H]2CCCCNC2=O)nnc1N1CCO[C@H](C(=O)NC)C1 1342073133 PIQWTLUMXMVEMF-KGLIPLIRSA-N 376.461 -0.126 30 20 GBED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCCS(=O)(=O)CC2)n1 1347348852 VLTLSYIRIJHXJA-UHFFFAOYSA-N 388.409 -0.275 30 20 GBED C=CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1350529441 CHZRGNZHSJOLNJ-QWHCGFSZSA-N 382.490 -0.120 30 20 GBED C=CCS(=O)(=O)CCn1c([C@@H]2COCCN2)nnc1N1CCOC[C@@H]1C 1574951233 XQIVXALUCJVJDC-KBPBESRZSA-N 385.490 -0.235 30 20 GBED C=CCNC(=O)[C@@H](C)N1CCC(N(Cc2cnn[nH]2)C(=O)CC(N)=O)CC1 1575104183 NLYSRRVHIORSAQ-GFCCVEGCSA-N 377.449 -0.836 30 20 GBED N#Cc1cnccc1N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1581882978 GDQWRWJDODMYCW-QGZVFWFLSA-N 379.384 -0.167 30 20 GBED C#CCNC(=O)[C@@H](C)N(C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588353287 MYSSKLUWYBBVOX-OLZOCXBDSA-N 384.444 -0.273 30 20 GBED C=CC[C@@H]1CCN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)C1 1588561194 YMCVWRCQEJWTGL-LLVKDONJSA-N 387.448 -0.012 30 20 GBED N#CCSCC(=O)N1CCC[C@@](CO)(N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1592680411 MAVLBUZDJSEWKJ-OAHLLOKOSA-N 389.445 -0.899 30 20 GBED O=C(CC#Cc1ccccc1)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O 1592803139 PMHFCJGUYBFOMB-HUUCEWRRSA-N 390.407 -0.236 30 20 GBED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O 1602794885 OJRDJMDTFTZDCH-BWACUDIHSA-N 388.432 -0.449 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1781400375 LGALDHLHLMLZMC-YOEHRIQHSA-N 378.433 -0.091 30 20 GBED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)C=CC4=O)[C@H]3C2)C1 1791392404 IUWUAPPJYPBMDT-BPUTZDHNSA-N 387.436 -0.143 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOC1=O 1793162719 YLGCVSOPVBENGZ-YWVIFJGQSA-N 383.470 -0.053 30 20 GBED C=CCOCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2 1793577781 WVLZKZADTVQRIP-BCDXTJNWSA-N 397.516 -0.106 30 20 GBED C=CC[C@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O 1795532403 KPXJXTJXWDTWJG-RIUYPTKQSA-N 392.500 -0.063 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1799396482 UWKAJBVRTJCJKD-JGFGOLAASA-N 394.472 -0.097 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1cncn1 1801260948 XSMDIJHTUCWKJT-JYYAWHABSA-N 391.472 -0.169 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1830055924 IDHZTSOHUFLCAG-SFHVURJKSA-N 375.429 -0.042 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1831499909 VYYJGFKDBNCELA-MAUKXSAKSA-N 385.530 -0.041 30 20 GBED COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1835248146 JRDWWXHBOGEHJH-XJKSGUPXSA-N 376.475 -0.576 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835311761 CUHYNHVJJSKTPO-QMTMVMCOSA-N 379.457 -0.066 30 20 GBED Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)c1 1836202081 JHIDLMYGNBERNG-WMLDXEAASA-N 382.486 -0.034 30 20 GBED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)n1ccnn1 1839705450 HPENPIQZLUCUPT-BEFAXECRSA-N 387.440 -0.291 30 20 GBED CC(C)(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040997 KDAUBKZGWFYCPJ-GOSISDBHSA-N 382.413 -0.654 30 20 GBED CCn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041586 VVZVSUHNBJBRSJ-SFHVURJKSA-N 390.396 -0.939 30 20 GBED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)no1 1840043911 AZHGBAHRKPQSIQ-SFHVURJKSA-N 391.380 -0.930 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1 1841959573 YMGTVPJDFVAWJM-GFCCVEGCSA-N 390.444 -0.930 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O 1848128285 CBPFVQJBVWBWBN-AVGNSLFASA-N 392.412 -0.704 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H](O)CN2C[C@H](C)O[C@H](C)C2)c1=O 65510768 KVAOIPXAMJDGNF-QLFBSQMISA-N 380.445 -0.986 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 263812327 UQFQGSOKDIMNJK-UHFFFAOYSA-N 399.451 -0.709 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCN1CCCS1(=O)=O 268395342 QOZJPEAHPBWWFL-ZDUSSCGKSA-N 378.458 -0.189 30 20 GBED CCS(=O)(=O)NCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 268776474 RTULRYMOHGHIDT-NSHDSACASA-N 388.471 -0.719 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)NS(C)(=O)=O)cc1 277663974 PFYCNAJQVAFHCI-UHFFFAOYSA-N 389.455 -0.653 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)C1=O 281427778 KWQLZCYCSLSCEG-AWEZNQCLSA-N 387.375 -0.015 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]32)CC1 349544878 PWMUIKHFQZHMEB-UPJWGTAASA-N 377.488 -0.161 30 20 GBED COC(=O)[C@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)Oc1ccc(F)cc1 409505418 AFDQMNSWTYMNRH-KBPBESRZSA-N 387.389 -0.195 30 20 GBED CCn1c(N)c(C(=O)CN2CCN(c3nccnc3C#N)C[C@H]2C)c(O)nc1=O 438515957 QHLQPNUGAGSGFH-LLVKDONJSA-N 398.427 -0.394 30 20 GBED C[C@H]1CN(CCO)CCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 457104657 DALMOWBUYNWOMP-AWEZNQCLSA-N 380.470 -0.296 30 20 GBED COC(=O)CNS(=O)(=O)c1cccc(NC(=O)c2cnn(C)c2C#N)c1 474903973 CBEVCNBWAZXBEP-UHFFFAOYSA-N 377.382 -0.005 30 20 GBED CC(C)[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1 569623136 LHQVJDUWQIMCQO-GXFFZTMASA-N 388.471 -0.335 30 20 GBED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C)C(=O)C2)cc1 572248984 ZUKZBUJUYVBWES-LLVKDONJSA-N 378.410 -0.389 30 20 GBED CC(C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 572735076 PHHURIPQUIJWIO-LLVKDONJSA-N 388.471 -0.320 30 20 GBED COC(=O)[C@@H]1CN(C)CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 573447267 AFBKMHOVSUNFJO-CQSZACIVSA-N 394.453 -0.600 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H]2CCNC2=O)cc1 574704219 SIIZBTLWEMUNPG-GXFFZTMASA-N 386.455 -0.614 30 20 GBED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccnn2C)c1=O 603552378 QTEJWGWDBQZLMN-UHFFFAOYSA-N 387.465 -0.515 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)N(C)C)CC2)CC1 611371090 GISSBKOKADVRRI-QGZVFWFLSA-N 378.521 -0.615 30 20 GBED C#CCN1CCN(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)CC1 748651633 SGXIEINVKKSMSM-FQEVSTJZSA-N 382.420 -0.006 30 20 GBED N#Cc1ccsc1N1CC[C@@H](OC(=O)CN2CCS(=O)(=O)CC2)C1=O 751645745 IWVQZNDOPPDGCT-GFCCVEGCSA-N 383.451 -0.001 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCN2C(=O)CNC2=O)C1 758496632 OZOYEYPTEGCEGM-WDEREUQCSA-N 380.405 -0.404 30 20 GBED CCOC(=O)[C@](C)(O)CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 768725715 PAPQSHGSGSUTKU-PIGZYNQJSA-N 397.453 -0.066 30 20 GBED CC(C)[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(N)=O 769773773 BKSVEODARKLAKI-ZDUSSCGKSA-N 382.398 -0.401 30 20 GBED N#CCOc1ccc(CNC(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1 799915649 PUMCAOVZDRCOAP-UHFFFAOYSA-N 381.458 -0.295 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(c3ccccc3)CNC(=O)C2)CC1 831574930 SLYMFTWCEHSVPR-SFHVURJKSA-N 390.465 -0.944 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@@H]2CC(C(N)=O)=NO2)C1 838551051 DTRAGJPNBKJXJU-JBLDHEPKSA-N 380.405 -0.325 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C)C[C@@H](C(=O)OC)C2)c1 840499546 FSVPZIRHOMMMLQ-OAHLLOKOSA-N 393.465 -0.225 30 20 GBED CC#CC[C@H](CO)NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 844118708 RTRQYLLGGOLCCI-CYBMUJFWSA-N 380.422 -0.018 30 20 GBED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)N3CC[C@@H](N4CCOC4=O)C3)C2)nc1 850693419 YGNGXISGFJWLIP-CABCVRRESA-N 399.407 -0.014 30 20 GBED C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)nn1 854835016 WVDORWHZLBTQFI-UHFFFAOYSA-N 390.491 -0.416 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(N(C)CCOC)nc2)CC1 895920669 JMEUIWVBHGQSSV-UHFFFAOYSA-N 381.502 -0.251 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)C[C@H]1OC 946819706 GDLGFNGYDJYIPI-JSHWQEIDSA-N 391.424 -0.070 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3nnc(O)nc3O)[C@@H]2C1 974637723 ZSFGKXORPPNPGJ-CZXHOFHRSA-N 389.412 -0.063 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1n1ccnn1 990962332 DKJUZGDKGAJACO-KBXIAJHMSA-N 386.416 -0.971 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2CC(=O)NC2=O)nc1 998948712 OUMLTDFLDKDNHS-XRGAULLZSA-N 380.404 -0.023 30 20 GBED C#Cc1cncc(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@@H]3C2)c1 1022711137 LRKLVTAKLBLXGS-PQEBFOHHSA-N 382.420 -0.231 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@H]1O 1023960369 HSZJZDNJLOADBA-VQHPVUNQSA-N 389.452 -0.093 30 20 GBED C=CCN[C@@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C[C@@H]1n1ccnn1 1070239412 NAQZWVVKBJRWLM-BDXSIMOUSA-N 390.488 -0.315 30 20 GBED C=C[C@H](COC)NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 1116626192 MJUVPJREXWYGLR-LLVKDONJSA-N 375.472 -0.020 30 20 GBED CCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 1261926798 WVQDCDZZCYMWPM-HZPDHXFCSA-N 397.435 -0.488 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1330238502 AHFBGFRPUUGKRQ-HZPDHXFCSA-N 394.472 -0.320 30 20 GBED C=CCN(C(=O)C(=O)NCC1(N2CCOCC2)CCN(C)CC1)[C@H](C)COC 1330629989 OWQRKCWRHOGETQ-QGZVFWFLSA-N 396.532 -0.051 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](N)[C@H](c2cccc(F)c2)C1 1331497944 QZKQMKDIXNEYAQ-LSDHHAIUSA-N 383.445 -0.204 30 20 GBED C=CCN(C(=O)C(=O)NCCNS(=O)(=O)c1cccnc1)[C@H](C)COC 1347605377 VVKXMFGWVADQKS-CYBMUJFWSA-N 384.458 -0.474 30 20 GBED COCCO[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1348136745 URXVTEWESLKUQO-MRXNPFEDSA-N 387.440 -0.134 30 20 GBED Cn1c(C[C@H](O)CC#N)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1518554144 VTSHWCQDEWKQRC-NVXWUHKLSA-N 383.456 -0.019 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@@H]2O)c1 1573292506 WRFXBLNTNGJJSM-KGLIPLIRSA-N 377.368 -0.988 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc(C(=O)NC(C)C)n1CC[S@@](=O)CC 1574938438 ZJDTXHXLKVGXDU-MHZLTWQESA-N 392.489 -0.057 30 20 GBED CN(C[C@H](O)CN(C)c1cnc(C#N)cn1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1579029953 KJKBTGUCWNSXSP-LLVKDONJSA-N 382.388 -0.574 30 20 GBED N#Cc1ccc(NC[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCO2)nn1 1581873804 QMMFCQJUKFRGGF-LBPRGKRZSA-N 380.372 -0.190 30 20 GBED C=CCn1cc(C(=O)N[C@]2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)nn1 1588713785 TZRNXAARMMNPOA-MRXNPFEDSA-N 381.404 -0.167 30 20 GBED N#Cc1ccccc1OCC(=O)N1CC(n2cc(-c3nn[nH]n3)c(O)nc2=O)C1 1592702260 YQTHFODBZVTWKY-UHFFFAOYSA-N 394.351 -0.537 30 20 GBED C=CCOCCCC(=O)NC[C@]1(O)CCN(c2nccnc2-c2nn[nH]n2)C1 1602872200 XJVAVHMRXVXIPH-QGZVFWFLSA-N 388.432 -0.303 30 20 GBED C#C[C@H](NC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)[C@H]1CCCO1 1609019511 VXQJVKXYSDWCLK-UONOGXRCSA-N 390.425 -0.558 30 20 GBED COCCS(=O)(=O)c1ccc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)cc1 1651742074 WBURQUGXJYTQNE-UHFFFAOYSA-N 378.410 -0.023 30 20 GBED CC(=O)NCCN([C@@H](C)C(=O)O)S(=O)(=O)CCOC1(C#N)CCOCC1 1776203655 CIBKRXYYKCRQNQ-LBPRGKRZSA-N 391.446 -0.683 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1778247614 JNHMFYWBMXQNQH-OXJNMPFZSA-N 384.388 -0.092 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781099949 ZRFWODATRFGKED-RVKKMQEKSA-N 384.546 -0.230 30 20 GBED N#Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CNC(N)=O)C3)C2)cc1 1785624356 WMUJKCTVNWYYCI-LJQANCHMSA-N 385.424 -0.401 30 20 GBED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787088947 BEBQGWAGKHYIEY-ABHRYQDASA-N 382.490 -0.393 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cnnn4)[C@H]3C2)c1 1787092197 FDPGDDJSTDTBSA-YDHLFZDLSA-N 384.400 -0.834 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C)COC1 1792616822 MFKVSRCILJYZEK-ZXVJPIRHSA-N 377.441 -0.529 30 20 GBED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2 1793352761 KKGJDTWLOYSOJF-MPTYRVRUSA-N 392.460 -0.194 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2 1793356880 CPLMKMYVDZGOFL-BMFAXAFESA-N 394.516 -0.586 30 20 GBED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CCS(=O)(=O)CC2)CC1 1794088049 CKDHBOOBXRXFDT-QDMKHBRRSA-N 394.497 -0.341 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnc1 1794869406 OTDVNAIFICJCRW-JLVBRIDZSA-N 390.440 -0.018 30 20 GBED CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)S)C3)CC1 1797305981 JRPGXMFZJAOKNV-FAYQHZLMSA-N 398.529 -0.942 30 20 GBED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H](O)C1)C2 1797812012 JVQKPUNFVINMCP-FJQMBHIWSA-N 395.456 -0.124 30 20 GBED NC[C@H](N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/N1CCCCC1)CC2 1817071041 JLQXMLVKFGJDTE-KDJXFICPSA-N 393.517 -0.187 30 20 GBED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1831332805 PPBVDWWHZLYMGT-GOSISDBHSA-N 398.481 -0.709 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1 1831403285 ZPGOECYAYYIZLF-GPMSIDNRSA-N 380.441 -0.482 30 20 GBED CO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682599 MCRUOAJLXJBOFZ-HNAYVOBHSA-N 396.488 -0.240 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1nc(N)n[nH]1)CCO2 1837277184 FFEPCZKTEWTWLV-QGZVFWFLSA-N 378.433 -0.648 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)no4)CCO3)C2)CC1 1838102374 JGGDSKYICVORBA-KRWDZBQOSA-N 376.369 -0.246 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4CC(O)C4)C3)C2)c1 1838733302 YARNSYUJVYGXKA-JFIBYHEFSA-N 388.424 -0.273 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N(C)CC)CCO2 1839637746 RZWLUKHXDFYMLS-MBOZVWFJSA-N 395.500 -0.179 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1839808782 ARANDBAORIEEIK-LJQANCHMSA-N 399.407 -0.966 30 20 GBED CS(=O)(=O)CC(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1842778907 DCRNLAIFSFGDAG-UHFFFAOYSA-N 382.482 -0.067 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)C[C@](C)(O)CC(=O)O)C1 1846378694 HNCSQBOIRQRMKX-XFHJGTJQSA-N 393.440 -0.336 30 20 GBED CN(CC(=O)NCCC(=O)N1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 45067665 ZEMLQYOFOKUKPO-UHFFFAOYSA-N 394.453 -0.456 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(C)(C)C(N)=O)CC2)c1 266792098 WHURIECHIREOEZ-UHFFFAOYSA-N 392.481 -0.380 30 20 GBED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 269358410 UVJKWNKEXAXSTF-UHFFFAOYSA-N 391.403 -0.457 30 20 GBED CCCn1c(=O)/c(=C/c2ccnn2C)s/c1=C(/C#N)C(=O)N[C@H](C)COC 298330876 YVZILWCBESDDNR-OADOCTJZSA-N 389.481 -0.293 30 20 GBED CN1CC[C@@H]2CN(S(=O)(=O)c3ccccc3S(=O)(=O)NCC#N)C[C@@H]21 349464081 ZQTGNXDGHRFPTG-OLZOCXBDSA-N 384.483 -0.187 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1CCn2cnnc2C1 349502627 JKXMYZXKBMSLEF-UHFFFAOYSA-N 390.491 -0.623 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCCS(=O)(=O)N[C@@H]1CC[C@H]1O 349585193 LKIVGFVIBSZKOF-JHJVBQTASA-N 397.544 -0.520 30 20 GBED COC1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2n[nH]c(C)c2C#N)C1 349599985 KXCDGRDWUQQGKJ-UHFFFAOYSA-N 391.475 -0.228 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)C1=O 378321356 SPKGIUPHUZWYIY-LSDHHAIUSA-N 391.472 -0.552 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 460597286 IWFQUWRHFHUSRB-UONOGXRCSA-N 395.423 0.546 30 20 GBED C=CCOC[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)OC 481605240 NJINTVRLQMJOBE-ZDUSSCGKSA-N 382.394 -0.065 30 20 GBED CN(CCC#N)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 502021635 YQMYELVZLANVGD-CYBMUJFWSA-N 380.492 -0.797 30 20 GBED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCN2CCNC(=O)C2)n1 513578590 DJIXPXPSIMVYHJ-UHFFFAOYSA-N 399.386 -0.630 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)O)c1 547928551 CRCQKLBEIHDUQD-RZFZLAGVSA-N 386.451 -0.191 30 20 GBED CNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 550428983 SISUGEPVPRJKKL-UHFFFAOYSA-N 389.415 -0.763 30 20 GBED N#Cc1cc(NC(=O)C(=O)NCCS(N)(=O)=O)ccc1Br 550491838 RLBBNXZBJKKHKH-UHFFFAOYSA-N 375.204 -0.336 30 20 GBED COC[C@](C)(O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 576479010 KEUUDRIMEPEDOG-CYBMUJFWSA-N 377.444 -0.836 30 20 GBED CCOC(=O)CN(C)C(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 580871452 OGMKALMRLQHLQT-UHFFFAOYSA-N 376.413 -0.426 30 20 GBED CCN1CCCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)CC1=O 580963345 QNJJHYHEWDLCQY-UHFFFAOYSA-N 394.519 -0.518 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@H]2C(=O)N(C)C(C)C)C1=O 591170552 BYIMUQWSQFYDNN-NSHDSACASA-N 382.442 -0.269 30 20 GBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 592931008 SJVUYDASYXYIPW-KGLIPLIRSA-N 395.437 -0.207 30 20 GBED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 610916018 SBEUPSKIZNSQDY-UHFFFAOYSA-N 383.405 -0.414 30 20 GBED COc1cc(C=NNCCS(C)(=O)=O)ccc1OCC(=O)N1CCOCC1 733205963 UKBUCTLDSHRJOO-UHFFFAOYSA-N 399.469 -0.099 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)O)CC1 736076361 MXRLEYSYLCSXHO-SFHVURJKSA-N 398.463 -0.609 30 20 GBED CC(C)(C)OC(=O)N1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@H](C#N)C1 749525312 LYKDFOOHPUMNCN-CYBMUJFWSA-N 386.474 -0.312 30 20 GBED COC(=O)[C@](C)(O)CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 777193117 FTFWTGSEBNXZEH-MRXNPFEDSA-N 383.426 -0.455 30 20 GBED N#CCc1ccccc1CC(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 778136638 FKKMKMSMDDFTIT-CQSZACIVSA-N 393.421 -0.149 30 20 GBED C=C(Br)CNC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 808471173 WXYWMAWEZXEKCX-BJDJZHNGSA-N 396.241 -0.066 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2nn(CC)nc2C)c1=O 839238203 FKCGSZMARZXTMQ-UHFFFAOYSA-N 398.492 -0.262 30 20 GBED C[C@@H](CC(=O)N(C)CCN1CCNCC1)/N=C1/NS(=O)(=O)c2ccccc21 843337843 CJNKYJSZARAWNP-AWEZNQCLSA-N 393.513 -0.133 30 20 GBED C#C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NCC#N)[C@@H]1CCCO1 848955539 DBMKJVCTULVIDR-STQMWFEESA-N 383.451 -0.052 30 20 GBED C#CCNS(=O)(=O)CCCCS(=O)(=O)Nc1nc2n(n1)CCCC2 848968582 ZDMZGPKYERZSDA-UHFFFAOYSA-N 375.476 -0.311 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CS(=O)(=O)C1 960433676 AOWTZWZLLKSNHU-CBBWQLFWSA-N 384.454 -0.940 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)C[C@@H]1O 964504466 VUUSXCOXJOSGGH-QOOGKBOQSA-N 391.424 -0.334 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)C[C@@H]1O 964614993 AMSUNPTYGRFRRN-FWYOQMDTSA-N 388.424 -0.537 30 20 GBED C=CCn1cc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@H]32)nn1 972222266 PMZFRCUXULVZEO-REBRKWNGSA-N 388.428 -0.830 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(c3ncnc4c3nnn4C)C[C@@H]21 1043795428 RNWCUMRJKUBVEK-ZOBORPQBSA-N 385.428 -0.235 30 20 GBED CN1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(C#N)n2)S1(=O)=O 1055223719 QDTAVWLNHFPHSK-VOAKCMCISA-N 376.442 -0.392 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1110833802 IZMSNWNKXGPMDK-ZSAUSMIDSA-N 377.445 -0.839 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1111019635 HKAXULBILLBITR-RBGFHDKUSA-N 391.472 -0.497 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)[C@H](OC)C1 1213449189 IDSXNTANFDDORP-ZJIFWQFVSA-N 393.488 -0.712 30 20 GBED C=C(C)Cn1c(CN2CCCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1263342548 YKQMKKXQTBCNMM-HNNXBMFYSA-N 387.488 -0.013 30 20 GBED COC(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1323419631 INPKAXZXLCVCKH-ICFTUWFRSA-N 378.385 -0.817 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@H]2C[C@H]3C=C[C@H]2CC3)CC1 1334580101 GJVTVNALCQRFIV-HRCADAONSA-N 391.501 -0.135 30 20 GBED CN(CCS(N)(=O)=O)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1460720999 XJHPNQPXBOGCNN-CYBMUJFWSA-N 385.515 -0.323 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1[C@H]1CCOC1 1551336147 UOUGEYFQQCQPBF-GXTWGEPZSA-N 379.438 -0.011 30 20 GBED C[C@@H](C#N)C(=O)N(C)CCN1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1573561724 MJDLPFUWRPESRV-LBPRGKRZSA-N 385.432 -0.429 30 20 GBED CN(C(=O)CC(=O)NCc1cnn[nH]1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 1576716960 WDFUBLQVJGACSV-AWEZNQCLSA-N 384.400 -0.616 30 20 GBED C=CCn1c(-c2cc(-c3nn[nH]n3)cn2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1588697298 UREROYQTKHEGQY-LBPRGKRZSA-N 395.431 -0.137 30 20 GBED C=CCn1cc(C(=O)NCCN(CC)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)nn1 1588713188 HMXNEZQSMHCFJT-UHFFFAOYSA-N 384.404 -0.136 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC(=O)N(C)C[C@H]2C(=O)O)c1 1588845494 RIIFTAXOZWHCLT-ZDUSSCGKSA-N 381.410 -0.482 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCN(CC(=O)O)C3=O)CC2)c1C#N 1594483361 QPWYAHQROXELCS-CYBMUJFWSA-N 388.428 -0.428 30 20 GBED C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)O)CCN1S(C)(=O)=O 1599868390 LMFXPWHXVBWIBZ-SNVBAGLBSA-N 387.439 -0.089 30 20 GBED N#Cc1cn(CCC(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c(=O)nc1O 1635125690 GOBYSIBRRCTENG-IUODEOHRSA-N 376.413 -0.105 30 20 GBED C[C@@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779140235 VPAKCLWTOLDTHL-ZUJLDJOKSA-N 376.413 -0.337 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780244917 SXLOGIDTPASWQJ-ACJLOTCBSA-N 376.413 -0.196 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781045599 UXHNLKLBQCIWKM-YZVOILCLSA-N 395.456 -0.952 30 20 GBED COC(OC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1784286841 FKLWFGXPUIQZER-KKUMJFAQSA-N 396.488 -0.133 30 20 GBED CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1)C(=O)O 1786694522 LLSOBXDORWERNW-FQUUOJAGSA-N 378.429 -0.667 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786696311 TVRHCZFXRSZNRY-XDQVBPFNSA-N 394.428 -0.666 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)c1ccco1 1792512717 VTRMMNOZXBHLBM-BDLOOMQFSA-N 376.409 -0.059 30 20 GBED CN1CCN(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)CC1 1792629969 DOSOYIOCOKRWDV-ALXJQNPVSA-N 391.516 -0.237 30 20 GBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1795086185 VVKKJSAVGVBVPI-WDAIWFPHSA-N 382.467 -0.650 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)[nH]1 1798180438 LTVBQXTXEZQJGP-ZMJPVWNMSA-N 378.429 -0.108 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C2 1798393728 NGGTYFBDKDOVKJ-AICCOOGYSA-N 380.489 -0.210 30 20 GBED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](O)N2CCOCC2)CCC1 1798493274 HTHUWYKKPYHEQA-QKPAOTATSA-N 376.457 -0.031 30 20 GBED Cn1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)cc1O 1798693372 QXFBWTLSEAOUJQ-DRXBFXEBSA-N 384.396 -0.158 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)C1 1806003898 FBMLWJJOFBCXTN-IKGGRYGDSA-N 377.485 -0.021 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C)CCO2)C1 1834943899 DSRHDNQZCIXQBU-YJBOKZPZSA-N 384.477 -0.195 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835114945 URSUJONYVMFNBG-ZRGWGRIASA-N 395.456 -0.688 30 20 GBED Cc1ccn(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)n1 1835354791 BUYKLBNNBOIEKA-SFHVURJKSA-N 375.429 -0.048 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1839806962 JBNQMBKAXIFFII-QGZVFWFLSA-N 378.360 -0.514 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841848003 DNQSYPFARMAOBM-LBPRGKRZSA-N 379.417 -0.458 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 264190429 QKHIYWCLLVRIOQ-UHFFFAOYSA-N 381.440 -0.512 30 20 GBED CCN1CCN(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C(=O)C1=O 272777232 DZKVJMFKYCWNMD-MRXNPFEDSA-N 397.435 -0.139 30 20 GBED C=CCSCCNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 286501228 NLAKXAJRQFXMKT-UHFFFAOYSA-N 377.470 -0.136 30 20 GBED C=CCN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H]1CCS(=O)(=O)C1 369020922 FCWQHEADUSJVBX-HOTGVXAUSA-N 399.513 -0.631 30 20 GBED C=CCN(CC(=O)OCC)CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 371468338 GYOZJRRATHCUOE-OAHLLOKOSA-N 387.502 -0.631 30 20 GBED C[C@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 430230277 VUEJBULGTLIHAE-WFASDCNBSA-N 395.423 0.249 30 20 GBED COc1ccccc1CCNC(=O)CNC(=O)C(=O)Nc1ccn(CCC#N)n1 437108217 RTBNWEZDIWDKOJ-UHFFFAOYSA-N 398.423 0.219 30 20 GBED CN(CC(=O)NCCCN1CCNC(=O)C1)S(=O)(=O)c1ccc(C#N)cc1 495447294 HEXVGGYVQGZWNL-UHFFFAOYSA-N 393.469 -0.883 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 537487132 MTUMMUJXSJMVAR-UHFFFAOYSA-N 398.441 -0.698 30 20 GBED COc1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1NS(C)(=O)=O 539164187 WZIGIKFVJZTJPD-LLVKDONJSA-N 382.398 -0.244 30 20 GBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 540453076 NGUSBCCMFAUHGG-JTQLQIEISA-N 394.461 -0.645 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCc2nc[nH]n2)cc1 594626811 GQTPBIKECQUANT-NSHDSACASA-N 398.470 -0.094 30 20 GBED CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)N2CC[C@@](C)(C#N)C2)cn1 595185212 WPYGYJURGLNZCF-PBHICJAKSA-N 393.469 -0.037 30 20 GBED CCOC(=O)C[C@H](O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 600607462 FINPZKAHBBLOAO-LBPRGKRZSA-N 381.385 -0.463 30 20 GBED CC#CC[C@@H](CO)NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 645316103 KHEZEJYLKHMTCE-AWEZNQCLSA-N 383.474 -0.353 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 646955358 XFBINYBLXOXIAD-OAHLLOKOSA-N 386.452 -0.097 30 20 GBED CC(=NNC(=S)NCC(N)=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 739411817 QHLHXFYGFKRXGN-UHFFFAOYSA-N 399.498 -0.619 30 20 GBED C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 746492844 BNARNWFJAIHDJS-UHFFFAOYSA-N 390.509 -0.230 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 757884470 DTOTXNOXZSUUHL-UHFFFAOYSA-N 382.392 -0.108 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)NCc2ccccc2F)CC1 761038686 QIZAILXWXYXUOG-CQSZACIVSA-N 382.461 -0.084 30 20 GBED C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 765904197 MDCBNNLLSDYWEF-NSHDSACASA-N 378.360 -0.282 30 20 GBED C#CCC[C@@H](O)CNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 799228804 YNTTUSLNHKUEDC-CYBMUJFWSA-N 382.442 -0.002 30 20 GBED COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 802454848 XWQLNEBNUSTTSZ-OAHLLOKOSA-N 395.423 -0.390 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C 956974031 ODCQKPRWMCOBCG-FPCVCCKLSA-N 391.472 -0.084 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)C1 965495267 SPXLVUARUMPESL-FPCVCCKLSA-N 391.468 -0.068 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2c(C)cc(C)nc2=O)C[C@@H]1O 970702643 UURFWJOEARFRNN-WCVJEAGWSA-N 390.440 -0.861 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1C[C@H](OC)CN1C(C)=O 1109563409 TWSSKGXEHAVXLC-JSRQGNBESA-N 378.473 -0.354 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCCC(=O)N1 1110697761 IFOUUKBAYNEAOC-SYQHCUMBSA-N 377.445 -0.612 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)N3CCCCC3)CC2)C1 1118182941 BWPPIWRGVKMHSX-SFHVURJKSA-N 377.445 -0.386 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)CCN1C1CC1 1261860714 FNDOAHIPQLTBLK-RDJZCZTQSA-N 375.473 -0.634 30 20 GBED N#CCC1(O)CN(C(=O)C(F)(F)C(F)(F)C(=O)N2CC(O)(CC#N)C2)C1 1321088535 YBVYQXBZJGFASK-UHFFFAOYSA-N 378.282 -0.769 30 20 GBED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 1324698107 KWLRXSPZDKCWSG-GFCCVEGCSA-N 382.446 -0.416 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 1325475960 RXONYXSXHXWXSC-ZDUSSCGKSA-N 379.417 -0.617 30 20 GBED C=C(C)CN(C)C(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 1331300983 ASAQFXRWESIEIE-UHFFFAOYSA-N 383.470 -0.050 30 20 GBED N#C[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)C1 1341767675 YVKHNYPMZLGCHB-SJORKVTESA-N 377.489 -0.339 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)N1CCC(O)(CNCc2cnn[nH]2)CC1 1575109099 UQAZDMJEIKIZTQ-UHFFFAOYSA-N 379.465 -0.488 30 20 GBED N#CCNC(=O)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1581858045 OGFIGBVDQPUWLR-UONOGXRCSA-N 383.416 -0.487 30 20 GBED C#CCN(CC(=O)O)S(=O)(=O)c1cnn(C)c1I 1602699000 ADWQBEZNLNZBRH-UHFFFAOYSA-N 383.167 -0.267 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)NC[C@@H](C)N=c1cc[nH]c(-c2nn[nH]n2)n1 1602864091 VZGAZTQQZZFNBK-SNVBAGLBSA-N 388.436 -0.741 30 20 GBED Cn1cc([C@H]2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CCN2)cn1 1643080622 MTEWGTBHJVTQBD-CQSZACIVSA-N 388.453 -0.368 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778468226 SGJDKBMJBRMRGI-GOSISDBHSA-N 383.364 -0.739 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1779619026 DUEZIRXPVLHCAM-MRXNPFEDSA-N 382.323 -0.190 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H]3CCOC3)[C@H]2C1 1791819027 TVHMPBNSNGIOOH-UGUYLWEFSA-N 378.425 -0.129 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(N)=O 1796316685 HPLCBMVTWVCXMM-UXXRCYHCSA-N 382.461 -0.386 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1 1797684350 VJGBIMZNEDAMQF-MCYUEQNJSA-N 379.417 -0.747 30 20 GBED O=C(/C=N/N1CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H](O)CN1 1799920142 AOBJJUVIGYTFCE-NWNCJMAWSA-N 377.489 -0.181 30 20 GBED COc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc1C 1800776074 UHQGANNPMCIJKE-XOIINTDNSA-N 387.392 -0.310 30 20 GBED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1801994281 GMRNIRUQZRBAIO-YVWYUNDQSA-N 397.387 -0.385 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)[nH]3)C2)C1 1831388491 YYIGYWIGDFXBNE-IFXJQAMLSA-N 390.440 -0.174 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccn3)CCO2)C1 1833971028 IJRCGPOQDUBRJV-BEFAXECRSA-N 388.424 -0.415 30 20 GBED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)cn1 1834524067 GOKJEQYAEJUTFS-SFHVURJKSA-N 389.412 -0.141 30 20 GBED CC[S@@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC#N)CCO2 1835356568 DIYDWNDFMSSOTC-MRDQGFSESA-N 385.486 -0.095 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1840173961 YRWWGXZWRROYSU-KRWDZBQOSA-N 378.433 -0.648 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840381801 CPXUIQRHPXWIFM-QGZVFWFLSA-N 393.469 -0.233 30 20 GBED Cn1cc(C#N)c(=O)n(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c1=O 11460738 KYGWUHOAQALQSE-AWEZNQCLSA-N 394.453 -0.623 30 20 GBED C#CCNC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@H](C)O 18955862 IVPNMVQSAZMVTR-BBRMVZONSA-N 382.438 -0.376 30 20 GBED CNC(=O)NC(=O)CCN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31296260 SLGXWDRHLPFZGB-UHFFFAOYSA-N 379.442 -0.290 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)NC)cc2)CC1 264226939 ZNWAOGKVNZZPGE-UHFFFAOYSA-N 392.481 -0.508 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CCO1 265988041 YIUNWUMGAITLKB-GFCCVEGCSA-N 396.400 -0.044 30 20 GBED N#Cc1cc(F)c(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c(F)c1 268210046 TWKMRQPSSXXCTA-UHFFFAOYSA-N 398.391 -0.052 30 20 GBED COCCCS(=O)(=O)NCCN1CCN(c2nccnc2C#N)C[C@H]1C 268268770 GTMIPWQURUBOKT-CQSZACIVSA-N 382.490 -0.185 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)C1=O 283743005 XXTAIQOCMPLFEO-GXTWGEPZSA-N 379.413 -0.353 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)OC)CC1 290201051 HUANPTUUOANSTN-HNNXBMFYSA-N 396.488 -0.190 30 20 GBED COCCOCCN(C)C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 297941412 DFDDLLWHLYJNHO-UHFFFAOYSA-N 375.429 -0.277 30 20 GBED C[C@H](O)CN1CCN(/C(O)=N/CCS(=O)(=O)N2CCSCC2)C[C@@H]1C 329817453 FUISRHGJKWBJAO-KBPBESRZSA-N 394.563 -0.334 30 20 GBED CNS(=O)(=O)NC1CCN(/C(O)=N/C2CCN(CCOC)CC2)CC1 331227781 DSLWGZKLWOAFIJ-UHFFFAOYSA-N 377.511 -0.471 30 20 GBED C[C@@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 349622650 VZFCNAQFUVEWLO-RYUDHWBXSA-N 380.517 -0.131 30 20 GBED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCCn2cnc(C#N)n2)C1 376517942 KZDPLOWDCPJNIW-CYBMUJFWSA-N 399.477 -0.768 30 20 GBED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)C1 410890150 PDIGYCSVNVCQPP-UONOGXRCSA-N 388.490 -0.497 30 20 GBED N#Cc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)s1 435432613 JQYHYLHNJPYEFA-RYUDHWBXSA-N 391.496 -0.604 30 20 GBED C=CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 480924864 HPGSMJRASBSZHW-UHFFFAOYSA-N 377.444 -0.409 30 20 GBED C=CCOC[C@@H](NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)OC 481749323 MPYQCDWHVQSORE-FWZIUSJTSA-N 380.397 -0.601 30 20 GBED N#Cc1ccc(O[C@@H]2CCN(S(=O)(=O)N3CCS(=O)(=O)CC3)C2)nc1 490044847 MNZQOBPWAZKMEN-CYBMUJFWSA-N 386.455 -0.618 30 20 GBED Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC(=O)NCC#N)CC2)cc1C 511905054 IGADMAJHGJGXMT-UHFFFAOYSA-N 393.469 -0.041 30 20 GBED CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@@H]1CC(=O)NC1=O 518216404 MTTRZGZFRCLCSR-GFCCVEGCSA-N 378.410 -0.326 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cn3)CC2)CC1 524611407 PWKRMVZNQLUXFX-UHFFFAOYSA-N 378.458 -0.797 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCN4CCCC[C@H]34)CC2)c1C#N 560029488 QZMIYRBKURLNPY-DLBZAZTESA-N 399.499 -0.008 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)NCC(C)(F)F)n1 563638210 WYUYLSVWINTOEX-UHFFFAOYSA-N 385.418 -0.002 30 20 GBED CC(=O)N1CCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)[C@H](C)C1 570226216 KFHXXOUXNWPHFE-GFCCVEGCSA-N 394.519 -0.520 30 20 GBED CC(C)CCNC(=O)C1CCN(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)CC1 592354967 LAEHBSOPVXBRFH-UHFFFAOYSA-N 375.429 -0.191 30 20 GBED N#CC1(NS(=O)(=O)c2ccccc2S(=O)(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)CC1 594636487 GKTRIDJYAHSCOW-ITGUQSILSA-N 397.478 -0.120 30 20 GBED C[C@@H](N)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)CCO1 595990376 QHRFBBZGSPNWBD-TZMCWYRMSA-N 377.470 -0.157 30 20 GBED C#CCNC(=O)C1CCN([C@@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)CC1 747969223 WAKXKYVBFLWUMW-GOEBONIOSA-N 383.514 -0.128 30 20 GBED C[C@H](OC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)Nc1ccccc1C#N 748430229 VGVLSQRDAGHKPU-JTQLQIEISA-N 377.382 -0.027 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)N3C)CC1 749980331 GLVFHOGBPLOWRF-CQSZACIVSA-N 383.452 -0.029 30 20 GBED C#C[C@@H](NC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[C@@H]1CCCO1 773786800 KXCSYUVDJXNEDC-CABCVRRESA-N 375.429 -0.549 30 20 GBED N#Cc1cccc(CC(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 778129154 FQCOYOIFAPXMTK-CYBMUJFWSA-N 379.394 -0.343 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)cc1 787929179 HZTRLIXRVSBRBI-NSHDSACASA-N 379.398 -0.761 30 20 GBED 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395.456 -0.011 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1840841319 PYNPUVDCDHHVDW-FQEVSTJZSA-N 387.436 -0.131 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1840843028 PIUDGXSOLVAFSH-LPHOPBHVSA-N 395.456 -0.993 30 20 GBED CCN(C[C@@H](C)C#N)C(=O)CN1CCN([C@H](C)C(=O)N2CCOCC2)CC1 68849498 QXRNPVCQRVFMIL-DLBZAZTESA-N 379.505 -0.141 30 20 GBED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 275469920 DZQNPVOAPXBHHA-GLQYFDAESA-N 395.437 -0.250 30 20 GBED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 275678789 PDOHAGUOAUXVIH-RYUDHWBXSA-N 377.401 -0.027 30 20 GBED C=CCn1c(=O)/c(=C/c2cnn(C=C)c2)s/c1=C(/C#N)C(=O)N1CCOCC1 278074789 WFBOMYXCAKZREM-SYODGPJTSA-N 397.460 -0.245 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)c1cc[nH]n1 278298931 IFYIYWKUZZBVJB-IQQDNESTSA-N 395.460 -0.003 30 20 GBED C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)cc1 290014907 JMPBDTFKLXMHJO-YPMHNXCESA-N 377.397 -0.030 30 20 GBED C#CCNc1nc(N2CCNC(=O)[C@@H]2CC)nc(N2CCNC(=O)[C@@H]2CC)n1 290852870 XNYPEDMVOQJCBX-STQMWFEESA-N 386.460 -0.654 30 20 GBED COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 297717191 NKNRLETVEUNAJM-INIZCTEOSA-N 389.456 -0.030 30 20 GBED CN(C)c1n[nH]c(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)n1 348477175 RDEXFLXVPNEOMN-UHFFFAOYSA-N 391.479 -0.822 30 20 GBED CNC(=O)CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC1(C#N)CC1 349475937 YUPWSSKBRFVISK-UHFFFAOYSA-N 386.455 -0.612 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)CCO1 410126715 CXVCCJBHLTZZEP-WCQYABFASA-N 385.398 -0.786 30 20 GBED C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424507234 NAKLXRUHQZMZNM-CQSZACIVSA-N 380.422 -0.089 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@H]1CC(N)=O 457070851 WCMYKRUDOFAGFA-DGCLKSJQSA-N 380.426 -0.672 30 20 GBED COCCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 496000428 VFJSXJCUOGITAN-UHFFFAOYSA-N 380.470 -0.031 30 20 GBED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(c2ccc(C#N)cn2)CC1 497488956 CNMBDTVLWAFCSF-LBPRGKRZSA-N 397.439 -0.674 30 20 GBED COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCCn1cnc(C#N)n1 510605910 HVSQZZAUHSIZEC-HNNXBMFYSA-N 385.428 -0.177 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(N)=O)CC2)cc1 531839012 KAUMXEVUSUNSBT-UHFFFAOYSA-N 379.442 -0.878 30 20 GBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@@H](O)COc1ccc(C#N)cc1 532666309 YIJFMPBUSRDTTE-LSDHHAIUSA-N 381.454 -0.467 30 20 GBED N#Cc1cccc(F)c1CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 551967110 FKOLEJNZJNAFTR-HOTGVXAUSA-N 381.429 -0.146 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](C(=O)NCCN)C2)cc1 563141092 AWZZNQYALJHWCT-AWEZNQCLSA-N 393.469 -0.850 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCc3nnnn3CC2)cc1 563193683 LWSLHIMZSALTPO-GFCCVEGCSA-N 375.414 -0.656 30 20 GBED Cn1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 583691038 UHBGTHDLVKNBSW-UHFFFAOYSA-N 395.466 -0.013 30 20 GBED CN(CC(=O)N1CCCC1)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 595204454 HOFCEHNWWRAHGN-UHFFFAOYSA-N 395.423 0.217 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 646954074 QKDCPJAAAUZMPQ-OAHLLOKOSA-N 393.465 -0.250 30 20 GBED C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCNC1=O 729382931 PYCCYWCANRWDNP-SNVBAGLBSA-N 380.382 -0.680 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Cn2c(S)nc3ccccc3c2=O)CC1 746688472 JIMODTZOYHJEHI-UHFFFAOYSA-N 399.476 -0.421 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](C)S(=O)(=O)C1CCOCC1 767497027 WZFUDOPHUDSANZ-MNOVXSKESA-N 376.431 -0.088 30 20 GBED CN1CCN(CCCCNC(=O)C(=O)NCCNc2ncccc2C#N)CC1 787786924 FNVRDJVJRWLZAZ-UHFFFAOYSA-N 387.488 -0.375 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H](CS(C)(=O)=O)c2ccccc2)CC1 825974995 IVFULQYLHAFTMH-QGZVFWFLSA-N 391.493 -0.292 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cccn(CC(C)C)c2=O)CC1 828751428 XEXTUXVCVLXLRE-UHFFFAOYSA-N 380.470 -0.270 30 20 GBED C#CCNc1nc(N[C@@H]2CC(=O)N(CC)C2)nc(N[C@@H]2CC(=O)N(CC)C2)n1 828983505 MRPXAQRAFXADGH-CHWSQXEVSA-N 386.460 -0.018 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)N=c1nc(C)[nH]n1C)C(C)C 848963253 NVKRZSYGKSPWRW-LBPRGKRZSA-N 377.492 -0.746 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)c3cnn(C)n3)C[C@@H]21 960459242 VERSPPPOONFDLI-SYAUCNOPSA-N 375.429 -0.152 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CCOC2(C1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 965411343 NJFNWOHYOWJGFF-SGYMCOKNSA-N 399.491 -0.053 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn(CCOC)c2)C1 969669745 IEJGJXRPQNSVJO-YVSFHVDLSA-N 392.456 -0.188 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(CCOC)nc2C)C1 1023711602 DXEFGKCVWNNRJB-DZUCGIPZSA-N 392.456 -0.269 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)ccc2=O)C1 1024888825 MOUFTVMMXLYTFD-JFOHDYCDSA-N 375.425 -0.332 30 20 GBED C=CCN(C(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1)[C@H](C)COC 1118467103 CKRYLKDCMSNCEP-CQSZACIVSA-N 395.460 -0.090 30 20 GBED N#Cc1cn(CC(=O)N[C@H]2CCS(=O)(=O)C2)nc1I 1118581530 YJYKCLWDGMRXHQ-QMMMGPOBSA-N 394.194 -0.337 30 20 GBED C=CCn1c(-c2c[nH]c3ccnn3c2=O)nnc1N1CCN2CCOC[C@H]2C1 1121572272 CENJEGOVOOJKNG-CYBMUJFWSA-N 382.428 -0.012 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCCN1CCCO 1261265621 KXOWZSSSCOHQGL-CYBMUJFWSA-N 380.470 -0.312 30 20 GBED CN(Cc1nnc2n1CCNC2=O)S(=O)(=O)Cc1cc(C#N)ccc1F 1309854222 MRLILRMQRGGKIL-UHFFFAOYSA-N 378.389 -0.006 30 20 GBED CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 1319429049 WXKFNZVSTSCUKC-SFHVURJKSA-N 385.428 -0.435 30 20 GBED CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)cc1 1321453823 LAEMWKJPFHEEDC-INIZCTEOSA-N 382.417 -0.184 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)CC1 1326505406 GHPWFXMTTZRQFM-HNNXBMFYSA-N 375.473 -0.145 30 20 GBED COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN(C3CC3)[C@@H](C#N)C1)CC2 1329961887 PMUIBVBXANNJKN-JSGCOSHPSA-N 387.444 -0.946 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(N2CCN(C)CC2)C1 1332564460 ZFRBCWRGBNIJDS-AWEZNQCLSA-N 391.497 -0.317 30 20 GBED N#CC1(c2ccccn2)CCN(C(=O)C(=O)NCC(=O)N2CCOCC2)CC1 1346238459 CYZPYBZACJOEDI-UHFFFAOYSA-N 385.424 -0.560 30 20 GBED C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1348146933 SKNYNNMQTRJMHJ-JKSUJKDBSA-N 391.472 -0.717 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(N3CCOCC3)ccn2)CC1 1352260180 FGQXVNJMBCVFCX-UHFFFAOYSA-N 393.469 -0.856 30 20 GBED N#Cc1cn(CCC(=O)NCC2(N3CCOCC3)CCOCC2)c(=O)nc1O 1451105783 PCUNHEIAOWZVDV-UHFFFAOYSA-N 391.428 -0.792 30 20 GBED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)N2CCOCC2)C1 1521063519 SOGQSSSCTYBGMX-PXAZEXFGSA-N 391.407 -0.470 30 20 GBED C=CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCCN1Cc1cnn[nH]1 1575109134 VKVWYFRJIFPRIG-CVEARBPZSA-N 375.477 -0.348 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](O)CN=c1cc[nH]cc1-c1nn[nH]n1 1588352617 QBOLUMGWSCDHTP-CJNGLKHVSA-N 384.444 -0.988 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@@H](C(=O)O)C2)cc1 1588486352 VYNGJBNYLCPJGM-CQSZACIVSA-N 379.438 -0.314 30 20 GBED CN(C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)CSCC#N 1591044614 USQGYHVJHVURFZ-LLVKDONJSA-N 392.445 -0.657 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 1609492785 APTDTLMJICFYIX-QWHCGFSZSA-N 380.372 -0.338 30 20 GBED CC(C)(CNS(=O)(=O)N1CCO[C@H](C#N)C1)[C@H]1COCC12OCCO2 1663801323 MCFPGGXEAXZVLA-CHWSQXEVSA-N 375.447 -0.539 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777832798 JZGIBTXIGGLEQC-ZBEGNZNMSA-N 376.442 -0.114 30 20 GBED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)Cn1nccn1)CCO2 1779140216 VGRJCWSXZOZLPK-JHBOHYQCSA-N 386.412 -0.180 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]2C1 1783674427 OUXIYPMSCUOVCW-VGWMRTNUSA-N 394.472 -0.724 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 1795468511 DZJZWBZMSVBJIB-VXIBKDFQSA-N 395.500 -0.111 30 20 GBED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OCC 1797589281 IIALLLFDXMLUEZ-KPEUIFRASA-N 395.456 -0.166 30 20 GBED CC(C)(C)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)[nH]n1 1798134610 OASDFBCIHTVPLM-DPIQGUFMSA-N 388.424 -0.002 30 20 GBED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](O)N2CCOCC2)CCC1 1798493273 HTHUWYKKPYHEQA-FZKCQIBNSA-N 376.457 -0.031 30 20 GBED CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1800533573 WBIPFHYVRJASRA-NJICOXIMSA-N 393.488 -0.428 30 20 GBED C#CC(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807025593 IZEURSSZLIVGBI-CZUORRHYSA-N 380.341 -0.555 30 20 GBED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1826015833 SZLLFCLCZWZAOH-YIZRAAEISA-N 385.515 -0.034 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)C1 1829667347 YKOGWYYZHOZKSM-HXUWFJFHSA-N 393.484 -0.259 30 20 GBED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835356689 GPPIAZUPRHACCC-RDTXWAMCSA-N 395.460 -0.546 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCNC)CCO2)C1 1835658687 RHSPBKSEBYHVQY-QFBILLFUSA-N 381.473 -0.519 30 20 GBED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1837479773 RGWFPWBHYNIPJZ-RDTXWAMCSA-N 388.428 -0.353 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnc(O)[nH]4)CCO3)C2)CC1 1838064590 MJCXLEFJVKSEFP-QGZVFWFLSA-N 375.385 -0.511 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838339924 CNFJEUMQQSFPHS-DYVFJYSZSA-N 381.454 -0.292 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1840175166 GIJLRXHIWUXUJJ-GOSISDBHSA-N 376.413 -0.724 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](Cn3ccnn3)C2)c1=O 154998447 XKUQTZVWHRCNSL-HNNXBMFYSA-N 387.444 -0.495 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H](C)O)CC2)cc1 270942073 XIWCCBBNSAYFPU-ZDUSSCGKSA-N 388.424 -0.408 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 290117492 RWRXRIJOPMFSHH-CYBMUJFWSA-N 396.469 -0.776 30 20 GBED CC(=O)NC[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 290437357 ILECMAQRWQQTLC-CQSZACIVSA-N 380.426 -0.800 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1F 293058224 RDVKELZQTNGVTC-UHFFFAOYSA-N 380.401 -0.191 30 20 GBED COCCN1CCCN(/C(O)=N/[C@H]2CCCN(S(C)(=O)=O)C2)CC1=O 329882349 PUWAEMNZCKBJHX-ZDUSSCGKSA-N 376.479 -0.495 30 20 GBED CN1CCN(C(=O)CC/N=C(/O)N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 330455331 DPADYQQNPNUVBX-CQSZACIVSA-N 389.522 -0.674 30 20 GBED C[C@H]1[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)CCN1C 349458224 GEBIBHYQQAIBAD-STQMWFEESA-N 378.520 -0.294 30 20 GBED COC1(C)CN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@H]2C#N)C1 349518363 GYGBVWHLMNPACR-GFCCVEGCSA-N 397.544 -0.302 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCOC2)c1C#N 349603163 MUOWYIMYJHQFNY-LLVKDONJSA-N 391.475 -0.323 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](N3CCCCC3=O)C2)C1=O 370978676 JLSLJIBVPGNGAK-CYBMUJFWSA-N 376.413 -0.033 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 377786806 XZMYKIFLYDDJPW-HUUCEWRRSA-N 378.454 -0.184 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cnc3scc(C)n3c2=O)CC1 378451793 JYFINFYJRGTVPW-UHFFFAOYSA-N 387.465 -0.038 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCCCN2CCN(c3ncccn3)CC2)CCO1 409550174 DHHRFTIOEISDNP-OAHLLOKOSA-N 395.489 -0.953 30 20 GBED CCN1CCN(C[C@@H](C)CNS(=O)(=O)N(CCC#N)CCOC)CC1 410153577 FWVRKEAWXSJDSI-INIZCTEOSA-N 375.539 -0.044 30 20 GBED CN(C)CCNC(=O)c1cccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)c1 410155252 ODUOCAVUMIJBRA-MRXNPFEDSA-N 395.485 -0.463 30 20 GBED C=C(C)CN1CCC(NC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 468971449 PBWKYYJRKDVWFD-UHFFFAOYSA-N 384.458 -0.187 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCS(=O)(=O)C1 482142995 YXFSGEDIZOTHLX-WCQYABFASA-N 385.467 -0.082 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCN3C(=O)CNC3=O)n2)c(F)c1 543924014 DOSRAALONREXJJ-UHFFFAOYSA-N 399.342 -0.510 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(O)(Cc3ccncc3)CC2)C1=O 559247997 YPUGWABOOOTEOR-UHFFFAOYSA-N 386.408 -0.046 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)cc1 575182582 GHLNYUMHNPQYOY-ZDUSSCGKSA-N 376.394 -0.757 30 20 GBED Cc1nc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1C 576850453 CHKDIPMQTCKDLQ-AWEZNQCLSA-N 381.396 0.246 30 20 GBED COC(=O)CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 594600386 GBCSKXUFWFEQIQ-UHFFFAOYSA-N 387.439 -0.185 30 20 GBED C[C@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)Nc1ncc(C#N)s1 594637752 DTYSDLAETGFPST-SECBINFHSA-N 377.473 0.226 30 20 GBED C=C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 668493935 SMHFOZCSPPROGZ-CYBMUJFWSA-N 381.410 -0.603 30 20 GBED Cn1c(=O)nc(O)c2nc(CCC(=O)NCCNc3ncccc3C#N)[nH]c21 746235957 LBGPNIMZGISTAJ-UHFFFAOYSA-N 382.384 -0.210 30 20 GBED COCCS(=O)(=O)CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 757598209 LGRHNYGRHNYIOT-NWDGAFQWSA-N 375.447 -0.077 30 20 GBED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C(C)(C)C 807534252 OEXYBHBBDHTHFY-CQSZACIVSA-N 375.429 -0.156 30 20 GBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 818151989 PWQGFQJMGLIYJH-OAHLLOKOSA-N 387.488 -0.188 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1C[C@H](C(=O)NCCOC)CC[C@H]1C 875601148 XZPFIKJKBYEXGV-BZUAXINKSA-N 381.473 -0.079 30 20 GBED COC(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)cc1 918730213 SGVRTWYWRPDQEN-UHFFFAOYSA-N 396.428 -0.189 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 957530353 NMRWWNAETBFIKV-LPWJVIDDSA-N 379.417 -0.366 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)c2cnn(C)c2)C[C@@H]1O 970706929 QXFROVWCZZQWMA-WCVJEAGWSA-N 376.457 -0.023 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 1021805237 GYGOASLYDOGEAY-DGAVXFQQSA-N 388.428 -0.973 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc3nccnc3c2)C[C@H]1O 1025712059 DYGGWIVTHUCTAC-MIGQKNRLSA-N 383.408 -0.083 30 20 GBED C=CCCO[C@@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1041874097 OQUJDNYULVHYMF-YHUYYLMFSA-N 382.457 -0.291 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1109541642 DVILIKHWJZXKNN-OWYFMNJBSA-N 376.457 -0.730 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2CNCCCO)n[nH]1 1130238018 OZUMIPPNKPFZPI-XGUBFFRZSA-N 379.461 -0.144 30 20 GBED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC(O)(CO)CC1 1261607553 NJXQYTPTXFKMFT-UHFFFAOYSA-N 388.468 -0.206 30 20 GBED C#CCN1CCN(c2nnc(-c3cn(C)c(=O)n(C)c3=O)n2CC2CC2)CC1 1263674400 QXQQODMCRGXBDH-UHFFFAOYSA-N 383.456 -0.492 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCOC3=O)CC2)cc1 1313228806 WRWUGAHITDAOGF-AWEZNQCLSA-N 378.410 -0.110 30 20 GBED Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCc3cccc(OCC#N)c3)C2=O)cn1 1323747401 QKWSZIAUOZWGBR-MRXNPFEDSA-N 396.407 -0.140 30 20 GBED CS(=O)(=O)CCOc1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1 1329557725 MZTGJIAHBMZVTJ-AWEZNQCLSA-N 381.410 -0.201 30 20 GBED COc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cc1C#N 1334538943 UJFVLKBAJBHTSM-CYBMUJFWSA-N 380.426 -0.667 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCNC(=O)c2cccs2)C1=O 1344932728 XSXHDCXUYJUXFP-LBPRGKRZSA-N 378.454 -0.161 30 20 GBED C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn[nH]1 1575109142 VQJGVONBZQYIAK-NSHDSACASA-N 394.461 -0.763 30 20 GBED N#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)CCOCc3cnn[nH]3)CCO2)[nH]1 1577712304 HXTYFLUJHMAHFL-CQSZACIVSA-N 387.400 -0.431 30 20 GBED N#Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cn3)C[C@@H]2O)c[nH]1 1581865472 KHTONRLXOYGUPM-KGLIPLIRSA-N 379.384 -0.169 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCCCS(N)(=O)=O 1592665068 CHTLVDPMQLIIAZ-CYBMUJFWSA-N 377.430 -0.266 30 20 GBED N#Cc1nc(NC(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)[nH]c1-c1nn[nH]n1 1606354971 ZPJXJNZYAJQAPY-UHNVWZDZSA-N 390.307 -0.377 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@H](CNc3nccnc3-c3nn[nH]n3)C2)c1 1606357546 SPOJRXYDISLJAE-NSHDSACASA-N 380.372 -0.190 30 20 GBED Cc1nn(CCC#N)c(C)c1CCC(=O)NCCn1cnc(-c2nn[nH]n2)n1 1609459327 BATJSSSZVQKDQR-UHFFFAOYSA-N 383.420 -0.066 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(O)CCOC1 1723930180 WMRINVUDYZJQHH-LRDDRELGSA-N 398.489 -0.220 30 20 GBED C[C@H](CN)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779105265 SIIYNJBHQZENPS-JJKOTBSUSA-N 382.461 -0.060 30 20 GBED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]2C1 1791261944 MMKMAFJFMDGECY-NDKCEZKHSA-N 386.518 -0.008 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnncc2C(=O)O)C3)CC1 1795411114 SOLFRTUXUWXTPY-GNXNZQSNSA-N 385.380 -0.318 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1 1795852478 NOLPYVASILPUJH-FQLMCAECSA-N 377.445 -0.559 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCN(C)C1 1799113553 FPAHKNSXPPDSEZ-MDMSPXHWSA-N 377.485 -0.044 30 20 GBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1800982394 DWQYIKJUEVBRIX-XHSYRHOGSA-N 380.426 -0.304 30 20 GBED N#CCC(=O)N[C@H]1CCc2nc(NC(=O)CNCP(=O)(O)O)sc2C1 1814762818 GGFDLNSYYPRJAJ-QMMMGPOBSA-N 387.358 -0.306 30 20 GBED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(CO)on3)sc2C1 1821705860 PRGIYFLJYKGNPB-QMMMGPOBSA-N 390.377 -0.063 30 20 GBED C#CCCC(=O)N[C@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825331747 RDHFYSAGPXZMHV-ZDUSSCGKSA-N 394.497 -0.245 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342538 UKPGKEIIFYOTAD-SCLBCKFNSA-N 393.444 -0.807 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1837402813 FLOVCVVUNASLKG-IFXJQAMLSA-N 397.472 -0.719 30 20 GBED C[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CCCN1 1839120465 GVKIQCRRXKIMNX-UXHICEINSA-N 375.469 -0.002 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039848 IQYPWMXNRPSXGA-RDJZCZTQSA-N 384.454 -0.515 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cc3)C2)C1 1840043443 ZCMXHIXPSPKVFW-LJQANCHMSA-N 388.376 -0.450 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC(=O)C3)CCO2)C1 1840833140 MSBIBSOYWVSQNP-OXQOHEQNSA-N 394.468 -0.005 30 20 GBED O=C(CNCP(=O)(O)O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844314041 ORCLIDBCJZHLIW-REZTVBANSA-N 398.356 -0.373 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(C)=O)cc1 48735981 MUJSIONPTVPYRJ-UHFFFAOYSA-N 382.442 -0.316 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(C(=O)OCC)(S(C)(=O)=O)CC1 286257030 AWBYEUNRJWCAAU-GFCCVEGCSA-N 389.474 -0.171 30 20 GBED C[C@@H]1c2nncn2CCN1S(=O)(=O)CCCS(=O)(=O)N(C)CC#N 349453129 DZMFIDOXYJCSPD-LLVKDONJSA-N 376.464 -0.840 30 20 GBED CC1(C)CN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N)C[C@H]1O 349469278 WFNTZYHYWDYYKW-GFCCVEGCSA-N 378.476 -0.912 30 20 GBED C[C@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncccc1C#N 349488433 ZYLKNNGDGWKGKX-NSHDSACASA-N 376.460 -0.273 30 20 GBED CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccc(C#N)nc2)(C(N)=O)C1 376344262 PITIOANPZJPECF-UHFFFAOYSA-N 381.414 -0.294 30 20 GBED Cn1c(N2CCC(CO)(NC(=O)OC(C)(C)C)CC2)c(C#N)c(=O)n(C)c1=O 377096911 HKPDAYQDLMAKBE-UHFFFAOYSA-N 393.444 -0.188 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 410177696 GAEMTKWWPRRRKO-CYBMUJFWSA-N 380.426 -0.482 30 20 GBED C=CCCn1cc(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)nn1 424678482 KEKVQXVFHSLAJK-UHFFFAOYSA-N 398.489 -0.375 30 20 GBED COCc1noc(CN2CCN(CC(=O)N(CCC#N)CCC#N)CC2)n1 444738448 UGPJRRIUJFVLKU-UHFFFAOYSA-N 375.433 -0.010 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCN1C(=O)CNC1=O 481753795 VVMLENXFBTYCBP-NSHDSACASA-N 393.425 -0.717 30 20 GBED COCCN(C(=O)Cn1ccnc1C#N)c1c(O)nc(=O)n(CC(C)C)c1N 534069179 OIOZHPKQYIVWLY-UHFFFAOYSA-N 389.416 -0.065 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cc1 536359979 PEWIDSWMAQEDSQ-CQSZACIVSA-N 385.467 -0.247 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)O)CC2=O)C1 565055565 RIPRTVSFQZBHRC-CHWSQXEVSA-N 388.446 -0.899 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC3CCN(C4CC4)CC3)CC2)c1C#N 566633960 IBVNNUYTSYFXJR-UHFFFAOYSA-N 399.499 -0.008 30 20 GBED CC(C)CN1CCN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1=O 578322197 MCDJCNYVTYZKIO-UHFFFAOYSA-N 389.460 -0.419 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[C@H]3C(N)=O)CC2)cc1 583516866 QJHDMZFYYSLIDR-HUUCEWRRSA-N 376.438 -0.097 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)CC1 591567407 YFKVQYOTPTWASP-OAHLLOKOSA-N 390.371 -0.342 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCc3nnc(N4CCCC4)cc3C2)CCO1 596043905 ICDFZDMDWJMMQC-CQSZACIVSA-N 378.458 -0.096 30 20 GBED CN(C)S(=O)(=O)N1CCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 609121620 KZFRSZBZRWDPQQ-HNNXBMFYSA-N 391.453 -0.386 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@H](O)COCc2cccc(OC)c2)CC1 761036931 IJNNDDLDEDASQN-KRWDZBQOSA-N 397.497 -0.342 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C1CCN(C)CC1 763460656 LZLPLISWERYRQN-UHFFFAOYSA-N 385.493 -0.236 30 20 GBED C[C@@H](CC(=O)NC1(C(N)=O)CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 771740787 MHIQJNCECSOIIN-NSHDSACASA-N 394.453 -0.346 30 20 GBED COC(=O)c1ccccc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771893101 WXADTJQYJDUGQZ-UHFFFAOYSA-N 380.382 -0.817 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21)[C@H]1CCCO1 773798474 UFOYITVRFQXUCN-GDBMZVCRSA-N 391.449 -0.219 30 20 GBED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1 787741295 WLOVOVVZEASXNY-GHMZBOCLSA-N 383.430 -0.419 30 20 GBED Cn1nccc1CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 808015394 KRDKCPDUIIKIPU-QGZVFWFLSA-N 394.435 -0.132 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCOC 838247712 XJNXWIJKKABJPM-UHFFFAOYSA-N 375.454 -0.681 30 20 GBED O=C(N[C@H]1CCCN(O)C1=O)c1ccc(C(=O)N[C@H]2CCCN(O)C2=O)o1 848136533 OHFOKEGGSOMFKZ-UWVGGRQHSA-N 380.357 -0.500 30 20 GBED C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1nnn(C)c1C 848961278 WDVAPPIKNWFECI-UHFFFAOYSA-N 377.492 -0.071 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)c1cncc(C(=O)O[C@H](C)C(=O)NCC#C)c1 919347596 ZQKHAFAKCGFHOB-BETUJISGSA-N 385.376 -0.329 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)CCN3CCOCC3)C[C@@H]21 960978641 RGEDASFXLBPSRZ-VSZNYVQBSA-N 393.484 -0.262 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cccn3c(O)nnc23)C1 969048429 SJBIOIBEXPFUTP-ZZVYKPCYSA-N 387.396 -0.673 30 20 GBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)nc1 969649551 JWCLOIGHTIYZEQ-VGAPYMQISA-N 385.420 -0.584 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c(O)nnc2O)[C@@H]1CC 985514095 ASGCQYJPYDYYHR-XQHKEYJVSA-N 379.417 -0.224 30 20 GBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1069986024 WDFLDKDHSQMBOV-BDXSIMOUSA-N 388.472 -0.867 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)Nc2cnccn2)C[C@@H]1O 1083470716 JCMYJOKDIYBXDK-KBXIAJHMSA-N 375.429 -0.442 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 1085202909 DEBRESGUBOICGJ-VQHPVUNQSA-N 392.500 -0.057 30 20 GBED C#CCNC(=O)CN(CCO)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1098434284 WUAZPAIWGPWYCQ-BCDMZGRMSA-N 375.469 -0.556 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1[nH]nnc1C 1109588388 BRJHCUMTOLUFIZ-NDBYEHHHSA-N 375.433 -0.151 30 20 GBED C=CCN(CC=C)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 1110897741 UZWCAOKKTFJYAD-WCVJEAGWSA-N 375.473 -0.068 30 20 GBED N#CCc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 1116705708 QZLOQGAQTYALKG-HOTGVXAUSA-N 399.494 -0.471 30 20 GBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1117533032 RTBZZXFVOBZJGW-XJKSGUPXSA-N 397.435 -0.141 30 20 GBED C#CCN1CCN(c2nnc(-c3ccc(NS(N)(=O)=O)cc3)n2C)CC1 1123000698 IPNYDUPNYXYIKZ-UHFFFAOYSA-N 375.458 -0.147 30 20 GBED CC#CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)n2)O1 1130809438 YISWNBOVGOQNEP-IGQOVBAYSA-N 390.444 -0.713 30 20 GBED COCCN(C)S(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1252851748 KIXZCZCWIUWWNW-CYBMUJFWSA-N 380.426 -0.150 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCO1 1257321341 SIAUBDJJAGYTLK-RDJZCZTQSA-N 399.451 -0.245 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCNC(=O)C3CC3)CC2)c(F)c1 1257511442 FMNOGZBKRDFQBY-UHFFFAOYSA-N 387.415 -0.012 30 20 GBED CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 1321510428 ZHOVHQLLMRSTNO-CQSZACIVSA-N 393.469 -0.093 30 20 GBED Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCOC[C@@H]3C#N)CC2)cn1C 1323768840 ALPDXEHLGYSSPL-AWEZNQCLSA-N 381.458 -0.120 30 20 GBED CN1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1=O 1324461037 INYYXUBQVIMISC-GJZGRUSLSA-N 383.408 -0.878 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 1325471149 BAIIUCLRKBDAML-HNNXBMFYSA-N 376.461 -0.578 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCN([C@H]4CCNC4)CC3)CC2)cn1 1329641678 BQWYQQLCBBQIHK-SFHVURJKSA-N 397.483 -0.892 30 20 GBED CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cc1 1349195146 ZCGVSRIRXGKLNV-SJKOYZFVSA-N 394.453 -0.351 30 20 GBED C=CCn1c([C@H]2CCNC(=O)C2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1356040785 MGXXXILKBVAHDI-AWEZNQCLSA-N 387.488 -0.142 30 20 GBED N#Cc1cn(CCC(=O)N2CCC[C@H](CN3CCOCC3)C2)c(=O)nc1O 1556367492 JDFHVSIUZZCSMT-CQSZACIVSA-N 375.429 -0.219 30 20 GBED C=CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 1575104959 YFCFYMZKMYFVOF-VQFNDLOPSA-N 388.472 -0.208 30 20 GBED CC(C)(C)C(=O)NCCn1c([C@@H]2COCCN2)nnc1N1CCO[C@@H](C#N)C1 1575105900 BFLVTIGZUDRPSX-KBPBESRZSA-N 391.476 -0.170 30 20 GBED C[C@@H](NC(=O)CCOCc1cnn[nH]1)[C@@H]1CCCN(CC(=O)NCC#N)C1 1575638773 CLGIRFFEZJETTM-ZIAGYGMSSA-N 377.449 -0.432 30 20 GBED C#Cc1ccc(C(=O)NC[C@H]2COCCN2c2cncc(-c3nn[nH]n3)n2)nc1 1588371482 IWXXBGMYVOURBQ-ZDUSSCGKSA-N 391.395 -0.332 30 20 GBED CCN(C[C@H](C)C#N)C(=O)Cn1c(=O)c(-c2nn[nH]n2)c(C)n(C2CC2)c1=O 1590682673 NXZNTUHRENFVCV-SNVBAGLBSA-N 386.416 -0.158 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@H](n3cc(C(=O)O)nn3)C2)CC1 1590949152 NGIDPPNHOOLJQE-GOEBONIOSA-N 389.460 -0.085 30 20 GBED COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)O)C1 1598818654 LNRPRUDHIMHNIS-GFCCVEGCSA-N 381.410 -0.018 30 20 GBED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1779139726 GPXOZCCUTRUJFH-KUBNBFAUSA-N 390.440 -0.749 30 20 GBED Cn1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c2c1CCC2 1783561620 CAVPLAGBOJJWOK-LJQANCHMSA-N 386.408 -0.560 30 20 GBED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]3C2)cc1 1787422285 DZEJOWNSYDGAJS-VJANTYMQSA-N 399.495 -0.243 30 20 GBED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nc(N)n[nH]3)[C@H]2C1 1788503160 PDXVVHWATLDWQL-AVGNSLFASA-N 375.433 -0.397 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(C)n(C)n1 1793127863 QHOXJNTXAFSTOJ-OAFZBRQQSA-N 388.468 -0.101 30 20 GBED C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793258457 FQMAQOLAOVJFDS-FAYQHZLMSA-N 382.482 -0.330 30 20 GBED CN1N=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)CCC1=O 1793786559 YKVJBEYVBGNIIZ-FVCICTRLSA-N 398.423 -0.302 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1Cc2ccccc2O1 1797229220 VTIPXSIOVUUMQO-QHHYFVSCSA-N 384.388 -0.332 30 20 GBED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 1797741033 SQJKXQNYVMJKBI-ZGXQQMJOSA-N 391.472 -0.674 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1 1800524461 MFLRHNOPRNOAFO-HAFSJTIUSA-N 379.457 -0.715 30 20 GBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1800985915 QWLGQKFNERMARV-WISYIIOYSA-N 376.442 -0.354 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnco3)CCO2)C1 1831927589 NLFSRVABPXCORA-RDTXWAMCSA-N 377.397 -0.217 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1C(=O)C=CC1=O)CCO2 1832025499 YVXRXUDXKZHUCA-LJQANCHMSA-N 391.424 -0.666 30 20 GBED C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1)n1cnnn1 1832291384 YURBQMSYYVWNFD-UKRRQHHQSA-N 388.428 -0.058 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1835357068 XDJFQYMTTUKOMQ-KRWDZBQOSA-N 391.432 -0.920 30 20 GBED Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)n1 1836074982 NWDVCGGDGCVVDX-BDJLRTHQSA-N 384.458 -0.305 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)c1ccco1)CCO2 1836125157 NOZZCDNSIYJXAT-GOSISDBHSA-N 390.396 -0.621 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1837397361 PJYJKKGOPGUWII-FZKQIMNGSA-N 393.444 -0.552 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(C(=O)CN2CCOCC2)CC1 28176620 HSESAJDXAKHTGX-LPHOPBHVSA-N 379.505 -0.094 30 20 GBED N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 46044203 MWTGCHKNXGADNM-UHFFFAOYSA-N 393.469 -0.038 30 20 GBED Cc1ccc(S(=O)(=O)NCCNC(=O)NCCn2cnc(C#N)n2)cc1 286701528 UCHRNLVEVXNBNN-UHFFFAOYSA-N 377.430 -0.264 30 20 GBED C[C@H](Cn1cncn1)/N=C(/O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 329344542 QOBYVIRPCBMJQQ-KGLIPLIRSA-N 386.478 -0.293 30 20 GBED CC(C)NC(=O)CN1CCN(/C(O)=N/C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 330712329 VRKDGHRMYYZBMF-GJZGRUSLSA-N 383.493 -0.322 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCc2c[nH]nc2C1 349478113 RUJPHFWKXQXDKY-LBPRGKRZSA-N 375.476 -0.291 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N(C)C[C@@H](C)O)c1C#N 349478990 LDTIEZKPNFRKNU-SECBINFHSA-N 379.464 -0.636 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 374060532 CKVVOWOLVSELQN-NILFDRSVSA-N 376.438 -0.038 30 20 GBED C=CCNC(=O)NC(=O)CN1CCC(C(=O)OCC)(S(C)(=O)=O)CC1 375750732 NYANJPZNCBHEJO-UHFFFAOYSA-N 375.447 -0.560 30 20 GBED C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 377934757 XVYMTHVGOOSYMT-ZDUSSCGKSA-N 383.412 -0.086 30 20 GBED N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)N3CCO[C@@H](C#N)C3)C2=O)cc1 410388296 PVFWVGHNFBWCEI-HOTGVXAUSA-N 389.437 -0.282 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC3(CCNCC3)CC2)CC1 423039556 QVIURGGVVHBJES-UHFFFAOYSA-N 391.516 -0.575 30 20 GBED CC(C)NS(=O)(=O)NCCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 430451506 WEIVBTLKMUUIIH-UHFFFAOYSA-N 391.457 -0.112 30 20 GBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCS(=O)(=O)N(C)C 447782687 IFTTUXUMIFGGRL-GFCCVEGCSA-N 388.533 -0.727 30 20 GBED Cc1nc(S(=O)(=O)NCCC(=O)NCC2CCN(CC#N)CC2)cn1C 464802548 PTKGPERUNIYQDT-UHFFFAOYSA-N 382.490 -0.251 30 20 GBED N#Cc1ncn(CCNS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)n1 511382287 VHIDHPCMCFSHGF-UHFFFAOYSA-N 390.425 -0.399 30 20 GBED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O 541958599 YCGCEGTYTIVOOB-LLVKDONJSA-N 384.414 -0.097 30 20 GBED CC(=O)NCCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)C#N)cc1 563820003 ATVQMRPYTSZWTM-LLVKDONJSA-N 388.471 -0.366 30 20 GBED CNC(=O)Cn1nc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1C 564518397 ZZFVUIJMTJQTBH-UHFFFAOYSA-N 390.425 -0.274 30 20 GBED C[C@@H]1c2nncn2CCN1S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 574339937 YOJAEVLCVGUZLQ-LLVKDONJSA-N 396.454 -0.155 30 20 GBED C[C@H](C[S@](C)=O)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 580216640 APWAUTBKISDUDI-XFNZEKPQSA-N 393.512 -0.124 30 20 GBED COC[C@@H](C)NC(=O)NC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 582498075 JXHHDEPWJMZISO-CYBMUJFWSA-N 391.428 -0.587 30 20 GBED COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CCO[C@@H](C#N)C2)cc1 611642922 BJMWQXDLQXREHL-NOLJZWGESA-N 395.437 -0.430 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCNS(C)(=O)=O)C1 758325027 MOMKIGHKLDCWEG-QWRGUYRKSA-N 375.451 -0.406 30 20 GBED C#C[C@@H](C)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 760518878 YXNBORSZMIAQIF-DGCLKSJQSA-N 395.437 -0.492 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cncc(C(=O)OC)c2)CC1 788627278 QZVQXBZTKCYFAT-UHFFFAOYSA-N 394.453 -0.686 30 20 GBED CC[C@]1(c2ccccc2)NC(=O)N(NS(=O)(=O)N2CCO[C@H](C#N)C2)C1=O 800130734 OUXGUCLSSLKAQZ-CZUORRHYSA-N 393.425 -0.183 30 20 GBED COc1ccc(CNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1C#N 809501455 KIESNBWFYNMXAG-UHFFFAOYSA-N 399.451 -0.394 30 20 GBED CC#CCS(=O)(=O)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 810778893 QJMRABTUOQLIOS-NSHDSACASA-N 383.451 -0.027 30 20 GBED CCON(C)C(=O)CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 846136875 SVUUFZGUPAEPEJ-UHFFFAOYSA-N 385.384 -0.337 30 20 GBED C#CCN(CC)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 848959783 PZPVSZPOWIDHMS-ZDUSSCGKSA-N 379.529 -0.068 30 20 GBED C#C[C@@H](CC)NS(=O)(=O)CCCS(=O)(=O)Nc1ccc(=O)n(C)c1 848963313 PCGHXPNDGKOERH-LBPRGKRZSA-N 375.472 -0.152 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 850712782 RVAQQAXTFPOPBW-ZWKOTPCHSA-N 378.517 -0.031 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCn1cc(C(N)=O)cn1 851496467 XUEHTKAIKHZTBY-LLVKDONJSA-N 391.409 -0.236 30 20 GBED COC(=O)CNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N 913174134 WWEOFAZWZNVLHZ-JTQLQIEISA-N 383.382 -0.943 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 976054487 GEMWMYXINLALGT-XGUBFFRZSA-N 390.440 -0.421 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H]1C 989230254 RGDRBIPSQFVTSU-WCVJEAGWSA-N 378.473 -0.495 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCNC(N)=O 1111378498 WLMNRZHVHCPMJF-LPWJVIDDSA-N 380.449 -0.833 30 20 GBED N#Cc1cn(CCC(=O)NC2CCN([C@@H]3CCOC3=O)CC2)c(=O)nc1O 1295431429 ZQTHVOPBIYUSNV-CYBMUJFWSA-N 375.385 -0.893 30 20 GBED C[C@H](OC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)NC1(C#N)CCC1 1320762781 UESCYPQRQLSYTQ-RWMBFGLXSA-N 397.453 -0.484 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)OC)C2)n1 1326544415 HWGRRXBNWDJJTO-ZFWWWQNUSA-N 376.413 -0.753 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1327472847 AKEIACQYZCDTNM-JHJVBQTASA-N 379.417 -0.880 30 20 GBED C=CCN(CCOC)C(=O)C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 1344926512 YGQVKPYNFHZARG-ZDUSSCGKSA-N 379.417 -0.111 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)nn1 1345682299 DGVZNINZZXJTLO-INIZCTEOSA-N 376.461 -0.160 30 20 GBED N#Cc1ccc(NC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCO2)nn1 1571153385 QGMSPDAGWLKAJT-LBPRGKRZSA-N 380.372 -0.190 30 20 GBED C=CCNC(=O)Cn1c(C2CCNCC2)nnc1N1CCN2C(=O)NC[C@H]2C1 1574936550 MPTFCBMGBFEFLL-AWEZNQCLSA-N 388.476 -0.739 30 20 GBED C#CCOCCC(=O)N(CC)[C@@H]1CCN([C@H](C)C(=O)NCc2cnn[nH]2)C1 1575013731 SSNHBTOJKOTKQI-GDBMZVCRSA-N 376.461 -0.228 30 20 GBED C#Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCCNCc3cnn[nH]3)C2)nc1 1575022974 WWXYUVBZHLYVDV-OAHLLOKOSA-N 381.440 -0.061 30 20 GBED C[C@H](C#N)C(=O)N1CCC(N(Cc2cnn[nH]2)C(=O)[C@H]2CCC(=O)NC2)CC1 1575176258 FJHLGWYAZHIDAI-OLZOCXBDSA-N 387.444 -0.190 30 20 GBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)C3CCN(Cc4cnn[nH]4)CC3)C2)cn1 1577719143 KNSWKMQCTFKXII-HZPDHXFCSA-N 397.443 -0.956 30 20 GBED C[C@@H](C(=O)OCC(=O)NCc1cccc(C#N)c1)n1cnc(-c2nn[nH]n2)n1 1589026403 JQGYFFDKDVEKFA-JTQLQIEISA-N 381.356 -0.250 30 20 GBED CC(C)(C)C#CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O 1589067922 IPWJGPXZBMAIPB-JSGCOSHPSA-N 385.428 -0.064 30 20 GBED C#CCOCCC(=O)NC[C@H]1CN(c2ncc(-c3nn[nH]n3)cc2F)CCO1 1602729363 PPGXIHYURDYTCC-ZDUSSCGKSA-N 389.391 -0.238 30 20 GBED C#Cc1cncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1 1602742966 NHKZCKWFBFBVBX-HUUCEWRRSA-N 392.379 -0.814 30 20 GBED C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CN(C)CCN1C 1610938833 YYJYOXFOPWYPTG-BBRMVZONSA-N 379.486 -0.413 30 20 GBED N#C[C@H]1CN(c2nnc(CC3CC3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1770752081 QBONQRNPHBSCPZ-AWEZNQCLSA-N 395.485 -0.101 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nonc4c3)C2)C1 1777721180 BWDIUBRLOAUMGW-SFHVURJKSA-N 384.348 -0.246 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781111741 PGTZTJZZWHPOFP-YJBOKZPZSA-N 396.557 -0.085 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]2C1 1783674502 VGJUREWNJOMAAQ-VGWMRTNUSA-N 396.488 -0.172 30 20 GBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C)CC3)[C@H]2C1 1788194837 YHBFCPJUTKQXPV-BZSNNMDCSA-N 376.501 -0.373 30 20 GBED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=N)N)C3)c1 1792830879 CGVQJLIDYKTDBZ-HGKCTWBKSA-N 398.467 -0.436 30 20 GBED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNCP(=O)(O)O)C1 1795519024 UCDRHHALVZBJTN-AGGWBTHJSA-N 387.373 -0.733 30 20 GBED O=Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)s1 1800776253 ZMLZKPXDXSYJFI-CULMDFNYSA-N 376.390 -0.148 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CN)CC2 1819712650 VLURZDAZXPLDPE-GBIKHYSHSA-N 381.502 -0.086 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C)COC3)C2)C1 1831386585 AVXIWJPVEUKKFF-BEFAXECRSA-N 380.441 -0.482 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2 1835212540 BEDKOQVJZJPJAY-LJQANCHMSA-N 395.456 -0.057 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1835364195 MCNOJHCNFGWZOU-MRXNPFEDSA-N 394.457 -0.343 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838475350 JPFXVQOWMGAWDA-SFHVURJKSA-N 388.380 -0.206 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)S)CCO2)C1 1840161045 CIZOSFQHSQIBJZ-XNJGSVPQSA-N 385.486 -0.548 30 20 GBED Cn1cccc1C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840482130 MDDPYBHQILCCDZ-IBGZPJMESA-N 388.424 -0.032 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)COCCO)C3)C2)CCC1 1840815156 ZRNLSLWCFQYHSX-SFHVURJKSA-N 381.429 -0.854 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)C=CC1=O)C2 1845256139 JZDABNOLVVIZMJ-ZDUSSCGKSA-N 376.413 -0.084 30 20 GBED N#Cc1cccc(CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 46040622 UVAHKYUCNSSHGA-UHFFFAOYSA-N 385.424 -0.229 30 20 GBED N#Cc1ccccc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 275550251 NKCVNKHQYNXPCC-UONOGXRCSA-N 385.467 -0.666 30 20 GBED Cn1cc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 290434393 WIRDFFUUYWLQRJ-UHFFFAOYSA-N 388.453 -0.081 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CN(C)C)CC2)cc1 298322362 UCPWXNGYPVIVCK-UHFFFAOYSA-N 394.497 -0.003 30 20 GBED N#CCC1(O)CN(S(=O)(=O)CCCS(=O)(=O)Nc2cncc(F)c2)C1 349457259 JZFRGBIPVDJISK-UHFFFAOYSA-N 392.434 -0.357 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[S@](=O)[C@H](C)[C@H]1C 349474934 DPDKPAAJTFNSCI-OCWCGTNQSA-N 399.560 -0.231 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)N2CCCN(CC(N)=O)CC2)ccc1F 363658451 PNZMWHNEWTZORL-UHFFFAOYSA-N 398.460 -0.077 30 20 GBED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1 367687789 YCALYDBABYUWHC-GFCCVEGCSA-N 382.446 -0.186 30 20 GBED CN(C)C(=O)COc1cccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)c1 409546753 GEWXSPBEBDALRF-OAHLLOKOSA-N 382.442 -0.288 30 20 GBED N#Cc1cc(F)c(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)c(F)c1 424373048 XHMDGPNSQUIYHQ-JTQLQIEISA-N 380.350 -0.291 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H]2CS(N)(=O)=O)n1 440380040 FALBVTRQLKUKSC-LLVKDONJSA-N 382.446 -0.272 30 20 GBED CC#CCCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 440735304 WJGPSTUKGDWLRV-OKILXGFUSA-N 375.429 -0.013 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@H]4C(=O)NC(=O)[C@H]4C3)CC2)c(F)c1 460075898 JEJWRKKMGBPUCP-BETUJISGSA-N 399.382 -0.923 30 20 GBED C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N1CCOCC1 521721194 PNSJVUPGBCQIQK-CYBMUJFWSA-N 379.438 -0.163 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1=O 522125185 ZOFVOOXDQXPGGD-UHFFFAOYSA-N 380.382 -0.442 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCN2CCC(O)CC2)c1 562158984 UENIMVBTWJEKCU-UHFFFAOYSA-N 380.470 -0.200 30 20 GBED C=CCn1c(Cc2nc(C)cs2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 563123804 GQYSGQMTCGYVTF-GFCCVEGCSA-N 387.469 -0.033 30 20 GBED CCN(CCC#N)S(=O)(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 568437755 RQGHBIKQTAHATL-UHFFFAOYSA-N 376.460 -0.087 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCOC[C@@H]3CCOC3)CC2)nc1 588107821 FLRPMDKVHIWGAA-MRXNPFEDSA-N 387.440 -0.229 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 595125471 MLHIPVRCRRZFGH-ZDUSSCGKSA-N 389.460 -0.812 30 20 GBED N#CCC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(O)nn2)C1 595963627 AXWQYXJAACMOFE-UHFFFAOYSA-N 375.432 -0.511 30 20 GBED CCN1CCN(CC(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)C(=O)C1=O 598685354 FWRPEGBUMZORPQ-UHFFFAOYSA-N 381.396 -0.502 30 20 GBED CN(C)C(=O)Cn1cnc(NC(=O)N(CCC#N)CCN2CCOCC2)n1 610559553 ZSOYIKMSZBLUPF-UHFFFAOYSA-N 378.437 -0.554 30 20 GBED C=C(C)Cn1c(COC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 670208248 GEZABJDIXOJVSG-UHFFFAOYSA-N 390.448 -0.533 30 20 GBED CCn1nc(C(=O)NCC#CCNC(=O)c2ccc(=O)n(CC)n2)ccc1=O 681339624 PAMQNNSENADEPD-UHFFFAOYSA-N 384.396 -0.997 30 20 GBED C#CCNC(=O)CN1CCN(C[C@H](O)COCc2ccccc2OC)CC1 728685723 DSUIBZVOXZSICS-SFHVURJKSA-N 375.469 -0.060 30 20 GBED CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nn1 756887480 SSEJCFMVDAXOCU-NWDGAFQWSA-N 391.432 -0.145 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCN1C(=O)CNC1=O 767678492 CYXKSJASYYXJKP-SNVBAGLBSA-N 380.382 -0.680 30 20 GBED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1cnn(CC#N)c1 785279576 CXBFATQDQPSGLU-NDBYEHHHSA-N 389.368 -0.703 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 804052101 WOJFWVLCKKOBRF-STQMWFEESA-N 389.460 -0.766 30 20 GBED C#C[C@H](NC(=O)C(=O)N(CCO)CCNC(=O)OC(C)(C)C)[C@@H]1CCCO1 809312303 MICWBNLJLWIAIJ-KBPBESRZSA-N 383.445 -0.371 30 20 GBED C=C[C@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 814546544 FZCDCQFOSZOZLY-ZDUSSCGKSA-N 386.401 -0.251 30 20 GBED C#CCN1CCN(C(=O)CSc2nc(N)c(-c3nn[nH]n3)cc2C#N)CC1 819701997 QXWJMMGWGBPJIO-UHFFFAOYSA-N 383.441 -0.415 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H]2CNC[C@H]2C#N)cc1 834498643 BDEZLRWAGIBMNT-OCCSQVGLSA-N 380.426 -0.631 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N(C)[C@H]1CC(C)(C)OC1=O 848956718 AJEYKWYLENDZIG-RYUDHWBXSA-N 395.503 -0.094 30 20 GBED C[C@H](CC(=O)NCCc1nc(N)n[nH]1)/N=C1/NS(=O)(=O)c2ccccc21 854519157 YDIIHRXELLYOCU-SECBINFHSA-N 377.430 -0.437 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@@]2(C)C1 993452296 CIIHPIHBDRGQDC-ZOZBEKFXSA-N 389.452 -0.063 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CC(=O)NC2=O)cn1 998956754 KHNOMKHUEHSXTN-ILXRZTDVSA-N 381.392 -0.524 30 20 GBED Cn1c(O)ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2cc(C#N)c[nH]2)c1=O 1001903719 DWHIQNOMSSRRDF-QKCSRTOESA-N 382.380 -0.139 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)c3cn(CC(N)=O)nn3)C[C@H]21 1022750876 VUSGHLNIDXRQPO-MXYBEHONSA-N 388.428 -0.973 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn(CCOC)n2)C[C@H]1O 1023940100 XZBBGRWCNMHTIE-SVGFKBNWSA-N 392.456 -0.188 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc(C3CC3)nn2)C1 1024150853 IAMCNFHNGFTECR-ZDRJDWQYSA-N 389.456 -0.175 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2nc(C)n(C)c2=O)n1 1055077864 FMBTYNXTTWBSBR-ILXRZTDVSA-N 382.428 -0.214 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nsc(N(C)C)n1 1110461802 JMYFHKXPVHSOBF-UPJWGTAASA-N 376.486 -0.035 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1cccc(N2CCOC2=O)c1 1117582155 MKJKBDQSKJMZIA-UHFFFAOYSA-N 395.437 -0.024 30 20 GBED COC(=O)C1(C#N)CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC1 1146237513 LLRCTYRMCCNPHH-UHFFFAOYSA-N 382.417 -0.067 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)[C@@H]2C1 1187957980 AVFIXEXZHIYPQC-LXTVHRRPSA-N 391.472 -0.554 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 1220524508 UGARKFGSDKTXHI-FQLMCAECSA-N 380.445 -0.859 30 20 GBED CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1258459035 IPNKCKKUIXMFIG-CYBMUJFWSA-N 393.469 -0.459 30 20 GBED N#CCCN1CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 1302597274 VLDJZJSPLGWTNG-INIZCTEOSA-N 389.431 -0.214 30 20 GBED N#Cc1ccc(N2C[C@H](C(=O)NCC(=O)NCCN3CCOCC3)CC2=O)cc1 1318692842 DNYFOPXJIIHBAZ-MRXNPFEDSA-N 399.451 -0.524 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCS(=O)(=O)CC3)n2)cc1 1319396176 JBINLVOKQUXODE-UHFFFAOYSA-N 388.409 -0.606 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 1326597722 UHFVJKDNFGVDBK-UPTRSRDDSA-N 389.456 -0.284 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)C1 1326897268 DOQFSZFEGBXHCY-YLJYHZDGSA-N 386.452 -0.254 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C 1342444813 JTAAWBIMGDMIIU-CQSZACIVSA-N 382.461 -0.580 30 20 GBED C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1344898333 KETIHOQFVXLLHI-ZRBXUZRCSA-N 389.481 -0.030 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cnnn2C)cc1 1346658166 ULWSWKNYVANUCZ-UHFFFAOYSA-N 392.441 -0.124 30 20 GBED CN1CCN(c2ncccc2CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1349191764 BONCUKIBOSWRJT-IBGZPJMESA-N 386.456 -0.673 30 20 GBED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)N2CCOCC2)C1 1521063522 SOGQSSSCTYBGMX-SJCJKPOMSA-N 391.407 -0.470 30 20 GBED CN(C)[S@](C)(=O)=NC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1559415017 AVWYOIDDYLUKSI-AREMUKBSSA-N 381.458 -0.347 30 20 GBED C#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cn1 1573287196 GRKMENUMRULKEW-ZDUSSCGKSA-N 380.368 -0.908 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)CCCCc3cnn[nH]3)C[C@@H]2O)c1 1575032326 AAYVNWOSMHPZTP-SJORKVTESA-N 382.424 -0.105 30 20 GBED C=CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)CC(=O)NCc2cnn[nH]2)C[C@@H]1O 1575078684 MYXSJRIISFZBSE-KBPBESRZSA-N 392.460 -0.509 30 20 GBED N#CCNC(=O)CN1CCC(CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1581858243 WSYXBOCKYHYXGW-UHFFFAOYSA-N 385.432 -0.334 30 20 GBED N#C[C@@]12CN([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C[C@H]1CS(=O)(=O)C2 1581859755 UDDHZVDRHXGDPT-ZENOOKHLSA-N 387.425 -0.737 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1c1ncc(-c2nn[nH]n2)cc1F 1588357479 MKOSKDBGEWIOJX-YPMHNXCESA-N 389.391 -0.240 30 20 GBED C=CCNC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C(=O)OC 1588658355 HKDPWSFIVIIYSU-UHFFFAOYSA-N 380.386 -0.766 30 20 GBED C=CCn1cnnc1S(=O)(=O)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 1588716232 AMHSZIWPPHTUHM-UHFFFAOYSA-N 388.413 -0.266 30 20 GBED N#CCSCC(=O)NCCN1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 1606351307 RZPJTWFNLKWKGF-UHFFFAOYSA-N 388.461 -0.848 30 20 GBED CS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1770363298 YDZRUNDWHJJFLY-IINYFYTJSA-N 385.425 -0.780 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)NC)[C@H]2C1 1784411764 TUDOWTPHGQNPQT-KKUMJFAQSA-N 395.456 -0.388 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncnn3C)C[C@@H]21 1784479004 RXJJHUPMUFBFFT-QPSCCSFWSA-N 375.429 -0.553 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnnn3C)[C@H]2C1 1785459248 FQJFQDWHWJEGHK-YXWQFLTLSA-N 375.429 -0.553 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccn1C)C2 1792485374 IOEJAKSFTHFFFR-ZXVJPIRHSA-N 387.440 -0.518 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncnn3c1)C2 1793344107 IFHCZIMEECXYJO-SCNOPHJPSA-N 397.435 -0.029 30 20 GBED C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1793430736 QOVRQASWDFMRFL-XSMHIHIESA-N 393.488 -0.441 30 20 GBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)ncn1 1794369162 IQWUTINUTYFSDP-ORXSELOVSA-N 380.426 -0.304 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ncccn2n1 1797381256 KYKGERLEYBDSTB-DPIQGUFMSA-N 383.364 -0.980 30 20 GBED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NNC(=O)C2)C3)cc1 1799641874 GMVYCGKULJCWNW-JLVBRIDZSA-N 395.419 -0.168 30 20 GBED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)n1cccc1C=O 1800776244 YNFFWZZLMDEOCA-FLTUCWPJSA-N 387.392 -0.461 30 20 GBED C#CC(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1812526943 SRGYCNBVDMOPQF-SUMWQHHRSA-N 391.391 -0.235 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csnn3)C2)C1 1831388472 UFMFERUEKZWKQN-CXAGYDPISA-N 394.453 -0.354 30 20 GBED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1835128494 XEVDGJVDIAKDQH-JXFKEZNVSA-N 391.468 -0.085 30 20 GBED Cc1ocnc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042516 YRKILOWBKLXQQN-QGZVFWFLSA-N 377.353 -0.859 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840918484 ZOSNHISLVXKHFK-CJNGLKHVSA-N 388.490 -0.935 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2 1844235487 FZSQPUGYHHWXEG-LBPRGKRZSA-N 378.429 -0.685 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](C#N)C2)cc1 266802668 DHAKXMUALFONIO-ZDUSSCGKSA-N 381.410 -0.107 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCN(C)CC2)cc1 299067334 VVBHTYLJLXBHOT-UHFFFAOYSA-N 392.481 -0.508 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)CC1 299542284 HQKOHLSDEINSGM-UHFFFAOYSA-N 391.497 -0.263 30 20 GBED CNS(=O)(=O)C1CCN(/C(O)=N/[C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 329300133 MIIWCUJYGYWJAS-ZDUSSCGKSA-N 398.489 -0.157 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@H]2C#N)CC1 349533317 DBHJDEOGVLYLMP-CYBMUJFWSA-N 396.560 -0.776 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1=O 366855659 XPAHLWNVFBPJHF-ACJLOTCBSA-N 392.456 -0.153 30 20 GBED CN1CCN(CC2(C)CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)CC1 409493790 AFMAXSZBIKTMHM-MRXNPFEDSA-N 385.534 -0.195 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 418834062 RBFCLYIVUOHSIF-ZACQAIPSSA-N 392.500 -0.246 30 20 GBED COCc1noc(CN2CCN(S(=O)(=O)c3cccnc3C#N)CC2)n1 428376106 SCJCTEULYOBHTF-UHFFFAOYSA-N 378.414 -0.011 30 20 GBED COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)N1CCS(=O)(=O)CC1 500088278 NBZCKKABJGOTON-UHFFFAOYSA-N 387.483 -0.018 30 20 GBED C[C@H]1OCC[C@]1(O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 516194487 KALRGYRPINVYTP-RISCZKNCSA-N 389.455 -0.693 30 20 GBED N#Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)nc1 578607763 WMOMLVWCLQYCIH-CYBMUJFWSA-N 395.441 -0.504 30 20 GBED CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 594538948 DILWCANOBOOCRH-QWRGUYRKSA-N 388.471 -0.320 30 20 GBED Cn1[nH]cnc1=NS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)(C)C#N)cc1 594624328 RFUFHUXBGBPDDS-UHFFFAOYSA-N 398.470 -0.134 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCN(S(N)(=O)=O)C3)CC2)c1C#N 597552827 LHDLVHVMWZIKSI-ZDUSSCGKSA-N 395.489 -0.836 30 20 GBED COc1cc(C#N)ccc1OCC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 603589491 RTKQJGXUDCXCGS-UHFFFAOYSA-N 382.442 -0.104 30 20 GBED C=C(CNC(=O)c1nnn(C(C)(C)C)n1)CNC(=O)c1nnn(C(C)(C)C)n1 620747695 FQXFJMDRIQWJDD-UHFFFAOYSA-N 390.452 -0.114 30 20 GBED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cnn(C=C)c2)c1=O 772309966 BZVUGSQLNKXXFY-CYBMUJFWSA-N 397.460 -0.506 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1nnn(Cc2noc(C)n2)c1C 787146698 BBXXTZVLTGINOH-VIFPVBQESA-N 377.361 -0.117 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCNC[C@@H](O)Cn1c(-c2ccccc2)noc1=O 819049990 NVXODUDGXDHXSV-ZFDMEJTGSA-N 399.407 -0.020 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](C(=O)O)C1CCOCC1 826560432 QCTLATKNYQGZBT-CQSZACIVSA-N 381.410 -0.279 30 20 GBED C[C@H](CC(=O)N[C@H]1CC(=O)N(C)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 848047115 DKKSZQOSZRSJRI-KOLCDFICSA-N 378.410 -0.623 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ccn(C)n1)[C@H]1CCCO1 848963892 GBNDSFQGAGKFTP-QWHCGFSZSA-N 390.487 -0.348 30 20 GBED C#CC[C@H](CO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 854547159 BBJFLVLVBFGUTQ-IPYPFGDCSA-N 386.857 -0.036 30 20 GBED C=C(C)C(C)(C)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1025677296 WXBMPHIYGWIKME-TUVASFSCSA-N 381.473 -0.088 30 20 GBED CS(=O)(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CCCC1 1109838985 WLQFHQYGSMNXKU-RDBSUJKOSA-N 382.486 -0.295 30 20 GBED C=CCS(=O)(=O)CCNC(=O)Cc1ccc(S(=O)(=O)CCO)cc1 1116547646 FRPZVQYDBLHFGU-UHFFFAOYSA-N 375.468 -0.288 30 20 GBED CO[C@@H]1COC[C@@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 1118245728 IVXYBNRKOGMLQA-LEWSCRJBSA-N 381.410 -0.159 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCCS(=O)(=O)N(C)C)C[C@H]1OC 1213462724 NORNGGVZSVQGDT-LVQVYYBASA-N 389.518 -0.326 30 20 GBED C=C(Cl)Cn1c(C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1286622922 TXLRNKCJRSNURM-UHFFFAOYSA-N 380.840 -0.194 30 20 GBED CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)N1CCO[C@H](C#N)C1 1322972795 CZPCONBCYBXQSD-CYBMUJFWSA-N 380.426 -0.696 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 1324182500 VFIPPCCUFNVFFG-HUUCEWRRSA-N 394.472 -0.721 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@H](N2CCNCC2=O)C1 1326688381 QTDPGDYPFAYDRW-FKEVTRRJSA-N 375.429 -0.674 30 20 GBED CN1CCN(CC2CCN(C(=O)C(=O)N3CC[C@@](O)(CC#N)C3)CC2)CC1 1329449792 VIULNACQTAXUDY-IBGZPJMESA-N 377.489 -0.651 30 20 GBED CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1 1330946324 HZGXVXHUXUPNLZ-GOSISDBHSA-N 381.452 -0.147 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCNS(C)(=O)=O 1333420369 FVOSMMGKRSJUOW-LLVKDONJSA-N 388.471 -0.767 30 20 GBED CN(CCCN)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1333637869 ACXRFRDZPZVGFV-UHFFFAOYSA-N 393.469 -0.802 30 20 GBED C#CCNC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 1344705270 APLZCVBZVRVHKP-LBPRGKRZSA-N 381.458 -0.925 30 20 GBED C#CCNC(=O)CN1CC[C@H](NC(=O)[C@H](C)OCc2cnn[nH]2)C(C)(C)C1 1575004943 QGLOVXJUQNUPCK-ZFWWWQNUSA-N 376.461 -0.324 30 20 GBED C=CCNC(=O)NC(=O)CN1CC[C@H]1CN(C)C(=O)CCCc1cnn[nH]1 1575109382 YKLHPNSQQYOWQS-AWEZNQCLSA-N 377.449 -0.328 30 20 GBED Cc1cc(N2CC[C@](O)(CNC(=O)CSCC#N)C2)c(-c2nn[nH]n2)cn1 1580961402 QFVQVSFZMAXJPN-INIZCTEOSA-N 388.457 -0.116 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588352348 HBYCTVUCPFTEPV-HNNXBMFYSA-N 382.428 -0.519 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588354432 MUZLWQOOJPHDCO-WDEREUQCSA-N 386.416 -0.653 30 20 GBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1OC 1588362693 QEFUGPLMTLYHHO-ZIAGYGMSSA-N 387.400 -0.810 30 20 GBED C#CCN(C(=O)NCc1nc(-c2nn[nH]n2)cs1)[C@@H]1CCS(=O)(=O)C1 1602714615 XQHLLEVTHKTWIZ-SECBINFHSA-N 381.443 -0.345 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)O)cc1 1610622383 ZKDYEEORJIETKS-KGLIPLIRSA-N 381.410 -0.071 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)O)C1 1781985917 OCNVDSZBAGMMGD-FPMDKBBYSA-N 379.457 -0.261 30 20 GBED C[C@H](Nc1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566395 ABBGNWAEOFHCQR-LIRRHRJNSA-N 386.408 -0.200 30 20 GBED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)CCC1 1785369897 VNRYCQCRKLCSQP-LJQANCHMSA-N 385.424 -0.233 30 20 GBED CC[C@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1787405630 RPGVPTKOGGKARZ-XUXIUFHCSA-N 379.461 -0.037 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4cccnc4n3)[C@H]2C1 1788313518 ORLWSDXLRLVKHO-YDHLFZDLSA-N 397.391 -0.589 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 1795288603 WMKJKZVZISCWKK-USRAEIGSSA-N 380.445 -0.345 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(CO)on1 1798729762 DFQYJWQBJNAAIT-NFFDBFGFSA-N 377.397 -0.592 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc[nH]c2C1 1801270234 GPASSDKRWGHKET-JWXAPSBJSA-N 386.408 -0.808 30 20 GBED CC(C)(NCCC#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(O)O)[nH]n1 1817316863 KOZAMWGMOQUAIM-GFCCVEGCSA-N 378.433 -0.006 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)C1 1829673269 IGTMZEZEVPSQIN-MGPUTAFESA-N 391.468 -0.065 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CC)NC(C)=O)CCO2 1829864413 GGMFDNXFOKIXCP-LPHOPBHVSA-N 379.457 -0.229 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2 1831014756 UETHMDKAPUIRHU-QGZVFWFLSA-N 380.401 -0.801 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1831424439 JGTJFMAMIDAVFF-KDOFPFPSSA-N 383.445 -0.878 30 20 GBED Cc1cnn(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)c1 1835354642 SKNNXVRALICUFH-GOSISDBHSA-N 375.429 -0.048 30 20 GBED Cc1nn[nH]c1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1836306021 WYTCCPGDGRUNFX-GOSISDBHSA-N 388.428 -0.123 30 20 GBED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)nn1C 1838835511 ZRWMPAPOZWZRIA-SJKOYZFVSA-N 398.485 -0.183 30 20 GBED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)S)CCO2)C1 1840157240 ISHZWBUJKYNRAJ-PBFPGSCMSA-N 387.502 -0.324 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)OC)C2)C1 1840840480 BPHMSUKRRJADGF-GOSISDBHSA-N 398.481 -0.238 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)C[C@H](NC)C(=O)O)C2 1845187880 FNTUBCZICNHTIJ-ZDUSSCGKSA-N 381.429 -0.238 30 20 GBED N/C(=N/Cc1cccc(S(N)(=O)=O)c1)N1CCN(c2ncccn2)CC1 262013744 VEHYDNWZGXJDMB-UHFFFAOYSA-N 375.458 -0.239 30 20 GBED COCCNC(=O)/C(C#N)=c1/s/c(=C\c2cnn(CC(C)C)c2)c(=O)n1C 272761604 QCKQLAJSUOUGBF-INXQETFLSA-N 389.481 -0.435 30 20 GBED CN(C)S(=O)(=O)c1ccc(CNC(=O)NCCn2cnc(C#N)n2)cc1 286676237 YJHAPSKMPXSBQA-UHFFFAOYSA-N 377.430 -0.101 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CN(C)C)CC2)c1 298492936 XDVRDPGPQORTQB-UHFFFAOYSA-N 394.497 -0.003 30 20 GBED CN1C(=O)C[C@H](/C(O)=N/CCN2CCS(=O)(=O)CC2)[C@@H]1c1ccnn1C 328803009 JWYCTXGCKFWTCQ-SWLSCSKDSA-N 383.474 -0.374 30 20 GBED CN1CCO[C@@H]2CN(C(O)=Nc3cnn(CC(=O)N4CCOCC4)c3)C[C@H]21 329972401 WDGSKCKISYPKDE-HUUCEWRRSA-N 378.433 -0.698 30 20 GBED CC(=O)N1CCC[C@@H](C/N=C(/O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 330025250 KILCEZALZLDQKU-KRWDZBQOSA-N 395.504 -0.365 30 20 GBED Cc1oc(S(=O)(=O)N(C)C)cc1/C(O)=N/CCN1CCS(=O)(=O)CC1 331319187 ZUZSKYXGDZXPLN-UHFFFAOYSA-N 393.487 -0.127 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CS(=O)(=O)CCO3)CC2)c1C#N 472084929 KKNSOBDKNZJHOX-ZDUSSCGKSA-N 396.473 -0.755 30 20 GBED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccnn2C(C)C)c1=O 478848268 OXQBUOSGKBUZEZ-UHFFFAOYSA-N 389.481 -0.027 30 20 GBED COC(=O)CN(CC#N)C(=O)[C@H]1CC(C)C[C@@H]1C(=O)N(CC#N)CC(=O)OC 481799664 XPSGILWFIMXIDZ-KBPBESRZSA-N 392.412 -0.301 30 20 GBED N#CCNC(=O)CNC(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 511900744 JEAHYYRWDKNILD-UHFFFAOYSA-N 376.392 -0.269 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCN3CCNC(=O)C3)n2)c(F)c1 541131937 UMMUGCLQKFCYST-UHFFFAOYSA-N 399.386 -0.630 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3CCN(C)C(=O)C3)CC2)c1C#N 582491881 LYXDTUPJJHGBBQ-UHFFFAOYSA-N 376.442 -0.728 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@]1(O)CCOC1 584124919 VQNVYOFUGQOXBU-AWEZNQCLSA-N 389.455 -0.740 30 20 GBED N#C[C@@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)CCO1 737679285 OYRSQVISAYQCIF-CYBMUJFWSA-N 376.398 -0.468 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 756752897 UECZGAIDCMINKN-NXEZZACHSA-N 387.418 -0.970 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2nc3ccccc3c(=O)n2C)CC1 761030750 LRYWYHAAMCFMCS-UHFFFAOYSA-N 375.454 -0.481 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCN1C(=O)CCC1=O 767678004 IOGMZZDRGJZMQP-NSHDSACASA-N 379.394 -0.083 30 20 GBED N#CCc1ccccc1CC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 787998451 LMAJGMPNCRWPNC-SJORKVTESA-N 377.466 -0.403 30 20 GBED COC(=O)C[C@@H]1CCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1C 794524383 XVZHOCIABJSIAU-ZJUUUORDSA-N 386.430 -0.673 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](C(=O)N3CCCC3)C2)c1=O 808206124 AUNJZZWZNPTMDB-OAHLLOKOSA-N 389.456 -0.555 30 20 GBED C#CCCS(=O)(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 808280636 NXIBJHMJUQTCPK-ZIAGYGMSSA-N 379.504 -0.689 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1CCOC 812273976 PQKJUIBXNGTZDO-UHFFFAOYSA-N 391.424 -0.047 30 20 GBED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2c(C(=O)OC)cnn2C)c1 815590651 DKDVRAFPPJZEHP-UHFFFAOYSA-N 383.364 -0.119 30 20 GBED C=CCOCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 823925652 NLONHJZGAWKGSR-NSHDSACASA-N 380.430 -0.148 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cccc(-c3nn[nH]n3)c2F)c1=O 823936957 BBTLCCNJGRZAMC-UHFFFAOYSA-N 385.359 -0.089 30 20 GBED C=C[C@@H](C)ONC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 846152347 SDMFZKKYMLNURO-LLVKDONJSA-N 396.425 -0.632 30 20 GBED CON(C)C(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 848942235 CCSIGPHHQHDFSJ-UHFFFAOYSA-N 390.443 -0.871 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)c1cncc(C(=O)O[C@@H](C)C(=O)NCC#C)c1 919347598 ZQKHAFAKCGFHOB-STQMWFEESA-N 385.376 -0.329 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CN1CCNC(=O)C1 976750785 ZTXWLOPLTZYOLI-MKSNKDDYSA-N 392.500 -0.057 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCOCC2=O)nc1 998947829 FXRAERIJQYXDNL-PVAVHDDUSA-N 382.420 -0.217 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCN(C)C(=O)C1 1000563605 OHUNEKXIXUSUMT-NRKLIOEPSA-N 390.484 -0.400 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C[C@H]2O)cn1 1024929601 ULPLSFGZLGDURO-YFHUEUNASA-N 379.420 -0.098 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc(S(N)(=O)=O)o1 1109485231 QOKYZJCJDLXYIQ-WOPDTQHZSA-N 380.426 -0.989 30 20 GBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnc(O)n(C)c1=O 1110884552 KFMSMZYLFLRLBY-OXHZDVMGSA-N 375.429 -0.488 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@@H]1CCCS(=O)(=O)C1 1111240036 LPZVEFOQBFAMTR-JJXSEGSLSA-N 381.498 -0.328 30 20 GBED CCN(C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCNC1=O 1117923222 RWBYVBWDHGGBIV-QGZVFWFLSA-N 383.452 -0.061 30 20 GBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 1193056353 DANZPJWMJBZJBC-QBPKDAKJSA-N 385.468 -0.935 30 20 GBED CC(=O)NCC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1261868387 JMBPEURTJCBQNR-DOTOQJQBSA-N 375.473 -0.050 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NC[C@H]1COC2(CCCC2)O1 1323121422 SKFLTQCUYJHEJE-TZFAWSOVSA-N 392.412 -0.569 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCN3CCOCC3)n2)cc1 1323553448 UDZWPQNASHWUPE-UHFFFAOYSA-N 383.412 -0.415 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCCC(=O)NC1CC1 1325708972 AUIRRXHWOGGKHW-CYBMUJFWSA-N 399.455 -0.440 30 20 GBED C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCO[C@H](C#N)C1 1326661472 SOWFEZSVFAMYQM-JKSUJKDBSA-N 386.456 -0.541 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(N2CCN(C)CC2)C1 1332563980 PMQUXLPCZZJQHB-AWEZNQCLSA-N 391.497 -0.317 30 20 GBED C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)C(=O)N1CCS(=O)(=O)CC1 1338843359 DTUJQYXGEGLZJG-CYBMUJFWSA-N 379.438 -0.107 30 20 GBED C=CCn1c(-c2c[nH]c3nccn3c2=O)nnc1N1CCN2CCOC[C@H]2C1 1340500225 DFGCVOGLLIZCMD-CYBMUJFWSA-N 382.428 -0.012 30 20 GBED CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)NCCNc1ncccc1C#N 1345022655 PZZGJNYFSJSEJD-GFCCVEGCSA-N 381.458 -0.237 30 20 GBED COCCN(CCNC(=O)c1cc(C#N)c[nH]1)c1ccc(-c2nn[nH]n2)nn1 1579802465 FOVLWGOHUSURGM-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c(-c2nn[nH]n2)cn1 1580973997 HDRUSWYKBASBIZ-UKRRQHHQSA-N 379.384 -0.251 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 1588526155 QVFSRICOEALNJD-CYBMUJFWSA-N 385.428 -0.168 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](C)C1 1602721325 DYUVGPYXFXKGEC-WQVCFCJDSA-N 396.455 -0.131 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[nH]n2)C1 1602885309 AFIRHGSFILWKAJ-XQQFMLRXSA-N 386.416 -0.113 30 20 GBED Cc1nn(C)c(N2CCN(Cn3cccc(-c4nn[nH]n4)c3=O)CC2)c1C#N 1609458588 IISRIDXDGKNMEP-UHFFFAOYSA-N 380.416 -0.278 30 20 GBED N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)N2CCOCC2)CC1 1698490123 KXZLVBIUONUNJW-CQSZACIVSA-N 387.444 -0.172 30 20 GBED C#CCCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 1757019620 DDXPIMLEJXKBFQ-FPCVCCKLSA-N 379.457 -0.319 30 20 GBED COC[C@H](C)NC(=S)NN=Cc1ccc(S(=O)(=O)NCC(=O)O)cc1 1776018684 PTDWWIWIQHQDAW-JTQLQIEISA-N 388.471 -0.118 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnncc4C(=O)O)C3)C2)CC1 1779521969 BAGZLCVJTLTHHV-SFHVURJKSA-N 385.380 -0.078 30 20 GBED C[C@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1781248242 UOTWDENSEVRFDS-TZPTYAJZSA-N 379.461 -0.578 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21 1788573818 OYHSSSABKOIHRQ-YHUYYLMFSA-N 391.472 -0.169 30 20 GBED C=CC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1790830420 OWXHCBXEDBXWTA-QSUVVDIXSA-N 395.500 -0.171 30 20 GBED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOCC4)C[C@@H]32)CCC1 1792139364 WWQNVSPESBRCMH-ULQDDVLXSA-N 390.484 -0.008 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)OC)C2 1792485513 LVJGUSCSDOWFTN-PXAQZEHQSA-N 393.440 -0.612 30 20 GBED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1831216395 NZRZWJNNNYFENQ-FQEVSTJZSA-N 385.420 -0.197 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncon3)C2)C1 1837399541 VZDJKYDCNHYPPK-ACJLOTCBSA-N 394.428 -0.287 30 20 GBED Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)co1 1840041657 ZSEHAUNKPOCEDH-KRWDZBQOSA-N 377.353 -0.859 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1840168136 ARMNBHAQDBHYPJ-JXFKEZNVSA-N 391.468 -0.063 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=S)NCC)C2)C1 1840844262 MDNXJGWYYJQSGK-SFHVURJKSA-N 396.513 -0.660 30 20 GBED CCN1CCN(/C(=N\C[C@@H]2CCOC2)NC[C@H]2CCS(=O)(=O)C2)CC1=O 262477374 ZYDPIFDMAJXSDF-LSDHHAIUSA-N 386.518 -0.433 30 20 GBED N#Cc1ccccc1OCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 264075049 ISFFPPFQXXAUCJ-HUUCEWRRSA-N 379.438 -0.449 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)NCCOCCS(C)(=O)=O)c1 266032470 ZJTHMUCAFFRVQT-UHFFFAOYSA-N 390.483 -0.058 30 20 GBED CNC(=O)[C@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 277282548 SKUZFQNVOFCPBM-JKSUJKDBSA-N 385.424 -0.184 30 20 GBED CO[C@H]1COC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 291242234 PSPMEEOKNVTZCG-HOTGVXAUSA-N 394.453 -0.012 30 20 GBED CN(c1ccn(C)n1)S(=O)(=O)CCCCS(=O)(=O)N1CC(C#N)C1 349599225 JCLIOJZTCGNIHZ-UHFFFAOYSA-N 375.476 -0.249 30 20 GBED C[C@@H](C(=O)N(C)CCC#N)N1CCN([C@@H](C)C(=O)N(C)CCC#N)CC(O)C1 372292480 BQWZPEAOIBKSST-HOTGVXAUSA-N 392.504 -0.514 30 20 GBED C[C@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 573863483 RHQGDBQLHKBXRB-SNVBAGLBSA-N 395.484 -0.800 30 20 GBED COC(=O)[C@H]1[C@H](O)CCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 580199786 ADNTULWHTFXYAJ-UKRRQHHQSA-N 381.410 -0.639 30 20 GBED N#CCNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(Br)cc1 589523829 QDNUQLRRZNEAOX-UHFFFAOYSA-N 389.231 -0.517 30 20 GBED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1CC(N)=O 608911657 DFLCIEKAJAEERT-UHFFFAOYSA-N 397.460 -0.648 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1CCOC 743725524 UHBXAQJHGBZQQX-UHFFFAOYSA-N 391.449 -0.277 30 20 GBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCCn1ncc(C#N)c1N 751839268 KLACOTLBPLUFAG-SNVBAGLBSA-N 395.445 -0.402 30 20 GBED C#C[C@H](CC)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 753889942 LBXMMTJWZGDEIQ-GFCCVEGCSA-N 392.437 -0.726 30 20 GBED C#CCNC(=O)COC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 754613801 KCEXOUOBJPTQQW-HNNXBMFYSA-N 384.392 -0.171 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1[N+](=O)[O-] 771891497 OBBDYXQIZHVJIU-UHFFFAOYSA-N 381.370 -0.305 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3(S(C)(=O)=O)CC3)CC2)o1 795870482 DSYUIWOTBUWXJS-UHFFFAOYSA-N 396.425 -0.376 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1)[C@@H]1CCCO1 809312852 QEQAOVHEGJMEBK-HOTGVXAUSA-N 378.473 -0.704 30 20 GBED C#CCNC(=O)CN1CCN(C[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)CC1 844289290 ATDGCNZVAZXZEX-IBGZPJMESA-N 382.505 -0.029 30 20 GBED C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 848960837 KNWOZTWZKVCIRS-OLZOCXBDSA-N 379.529 -0.069 30 20 GBED C#Cc1ccc(C(=O)N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1 990961235 XKVZBZDYNMFMHV-TWMKSMIVSA-N 392.419 -0.437 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnn2CCOC)C[C@H]1O 1023942935 VRBPSSBLCRORDK-ABFRBSLYSA-N 392.456 -0.188 30 20 GBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2O)C1 1025542871 UOCCBTJWZAQQKY-TUVASFSCSA-N 379.457 -0.156 30 20 GBED C#CCNC(=O)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1055896592 JZCMWCODGRNKSO-YQXNLMQOSA-N 389.452 -0.981 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)NC 1110631601 FMAAZKLEMDYEQT-LPWJVIDDSA-N 380.449 -0.963 30 20 GBED COC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)CCO1 1118504472 JZBKJMDPGOYKNK-CYBMUJFWSA-N 392.437 -0.331 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 1323244049 BHNQITMXAUFHAD-AWEZNQCLSA-N 386.518 -0.459 30 20 GBED CCOc1ccnc(N2CCCN(C(=O)C(=O)N3CCO[C@@H](C#N)C3)CC2)n1 1325888983 XHUBIDZOENEGED-AWEZNQCLSA-N 388.428 -0.335 30 20 GBED C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1332058230 NRZJBQRJOBKOEC-OWCLPIDISA-N 375.473 -0.050 30 20 GBED N#C[C@H](C(=O)c1cccc(N2CCNC2=O)c1)C(=O)N1CCS(=O)(=O)CC1 1341786717 HROGRUZYIOKNTD-CQSZACIVSA-N 390.421 -0.204 30 20 GBED Cn1nnc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)n1 1346516456 KQNLLVVWEMWQAF-UHFFFAOYSA-N 388.819 -0.300 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCNC(=O)c2cnccn2)cc1 1348771416 UHXAIOWGNZPUEX-UHFFFAOYSA-N 387.421 -0.452 30 20 GBED C#CCCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573282693 NCTHBASMKXUMNR-GFCCVEGCSA-N 391.457 -0.563 30 20 GBED C#CCN(C(=O)[C@H](OC)C1CC1)C1CCN(CC(=O)NCc2cnn[nH]2)CC1 1574894603 DCWHYFIHVXETBU-GOSISDBHSA-N 388.472 -0.228 30 20 GBED C#CCN(CC#C)C(=O)C(=O)Nc1cnn(-c2ncccc2-c2nn[nH]n2)c1 1588349489 GGHPQVOXGWLJOE-UHFFFAOYSA-N 375.352 -0.519 30 20 GBED C#CCOCCC(=O)NC1(CO)CCN(c2ccncc2-c2nn[nH]n2)CC1 1588359595 SPVIHYLPEGAAJH-UHFFFAOYSA-N 385.428 -0.251 30 20 GBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)NC[C@@H]1COc2ccccc2O1 1592681853 LIUALFPOBVOVBF-SECBINFHSA-N 381.356 -0.527 30 20 GBED CN(C)S(=O)(=O)N1CC(NS(=O)(=O)c2ccc(C#N)cc2C(=O)O)C1 1606038803 GCMYMEXUSMBQMN-UHFFFAOYSA-N 388.427 -0.975 30 20 GBED N#Cc1cnc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c(F)c1 1612067066 JAUXPWCCASCEGT-LBPRGKRZSA-N 388.446 -0.269 30 20 GBED CN1C(=O)CC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1781368729 GJVZYQCFXLDOPQ-KXBFYZLASA-N 385.424 -0.049 30 20 GBED N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCCS2(=O)=O)C1 1781649883 GEBRPIKNBQBXER-CKEIUWERSA-N 383.470 -0.009 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c(C3CC3)c1F)CCO2 1783556788 DNUZVORBYFVYLL-GOSISDBHSA-N 390.371 -0.042 30 20 GBED C[C@H](Nc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783562992 UZCXJGOUNDHKGJ-LIRRHRJNSA-N 386.408 -0.200 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784112490 PJYYDNLCFLENGS-IFXJQAMLSA-N 391.424 -0.668 30 20 GBED C#CCCCCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784117706 LLFBRXYAUDJSBF-HXUWFJFHSA-N 387.436 -0.065 30 20 GBED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1784441586 OTFDLXDXRSTSCI-RFGFWPKPSA-N 386.474 -0.792 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784598560 UTIUSRNZSVWGHE-CKEIUWERSA-N 393.448 -0.135 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)[nH]3)[C@H]2C1 1788955830 YEBULIHBFCZUOJ-OSFYFWSMSA-N 376.413 -0.253 30 20 GBED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O 1795533789 BCLRTRCTOZLRRI-OPDFLTKYSA-N 388.415 -0.620 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC)C(=O)O 1795638405 CDNYSMVQIFVYNY-ZWUHOBOKSA-N 385.486 -0.442 30 20 GBED Cc1nn(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c1F 1800773250 HDPMAYSEBOYDQJ-QHBPRCKVSA-N 378.360 -0.841 30 20 GBED CCc1ncsc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778005 QRHYLOJIRZXKII-QHBPRCKVSA-N 377.422 -0.003 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)C1 1829673262 IFPGTLDVTWVUEP-KXBFYZLASA-N 377.441 -0.455 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1830050964 RQBYSTXKHQWHNC-SFHVURJKSA-N 394.428 -0.555 30 20 GBED N#CCC(=O)N1CCC(N2CCC(NC(=O)CN3CC(=O)NC3=O)CC2)CC1 1833710573 NKJNXWMYMGGSSX-UHFFFAOYSA-N 390.444 -0.977 30 20 GBED COC(=O)CSCC(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835355135 VNQQITULGKYJSE-QGZVFWFLSA-N 399.469 -0.347 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C(O)O)CC2)CC1 1835713976 GFCVBEJQQFRXLO-HNNXBMFYSA-N 383.489 -0.558 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3)CCO2 1839574224 ZKDRNXFUPZAWKS-HXUWFJFHSA-N 383.404 -0.116 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1839840984 PFGQVVCMNPAHAR-YZVOILCLSA-N 379.457 -0.066 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840160810 SRDHMLHETUCOMD-BFQNTYOBSA-N 388.490 -0.792 30 20 GBED CSCC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840195376 YAYCMOZTCXDUEW-VQIMIIECSA-N 396.509 -0.030 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCn1ccnn1)CCO2 1840449611 RLFFAXGTHDCOEC-IBGZPJMESA-N 389.456 -0.072 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccoc1)CCO2 1840516858 PXXWGGYAUHCVMH-IBGZPJMESA-N 390.392 -0.243 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842919414 BHIOFAVNZYXQMC-ZDUSSCGKSA-N 378.477 -0.081 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)C(F)(F)F 1847803359 OBFHATFMXALXAE-SRVKXCTJSA-N 375.347 -0.095 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 264990798 JTORRUZAJBGGLH-ZDUSSCGKSA-N 388.390 -0.319 30 20 GBED COC(=O)CCN1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 271860842 ZJMJRWKGCKQGGG-WPCFGXOUSA-N 393.444 -0.208 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCCC(=O)N1CCOCC1)c1cc[nH]n1 276741958 VAVQCKBIFBMLEE-HMMYKYKNSA-N 381.389 -0.941 30 20 GBED COC(=O)c1cn(CCNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)nn1 284170147 KKTIBVVJFNHNGR-UHFFFAOYSA-N 384.400 -0.137 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCN2C(=O)CCC2=O)cc1 290258214 NTTSFUFXVHQFRT-UHFFFAOYSA-N 378.410 -0.508 30 20 GBED C/N=C(/O)[C@@H]1CCC[C@@H]1/N=C(/O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 329797952 GALGNIMDFLLICD-NEPJUHHUSA-N 393.448 -0.382 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 349487937 DKGDYHVAVNLFBB-MELADBBJSA-N 393.531 -0.027 30 20 GBED C[C@@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)N1CCCn2nccc21 349569344 BBLOHVKLJLYDJX-LBPRGKRZSA-N 375.476 -0.108 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCc2c[nH]nc2C1 349613193 JXPLINGGRFDPHA-CMPLNLGQSA-N 375.476 -0.592 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCN(S(C)(=O)=O)CC2)CC1 372410326 QKZPMTJJBYBZHJ-MRXNPFEDSA-N 385.534 -0.354 30 20 GBED CC1(C)CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C[C@@H](CO)O1 422104930 POFZBMUEYUEDGF-HNNXBMFYSA-N 387.440 -0.400 30 20 GBED CN(CC#N)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 429670636 LEIGRJGZNJEJOY-GFCCVEGCSA-N 396.425 -0.648 30 20 GBED C=CCN(C(=O)CNS(=O)(=O)NC)[C@H](C)c1cccc(-n2cnnn2)c1 448942438 JHJVYJSJQOPCQE-GFCCVEGCSA-N 379.446 -0.208 30 20 GBED Cc1nn(C)c(N2CCN(Cc3nc4c(=O)n(C)c(=O)n(C)c4[nH]3)CC2)c1C#N 472163790 UXLVTTUVTCXSLU-UHFFFAOYSA-N 397.443 -0.804 30 20 GBED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)NC)C1 555221532 VWYPNAPCJYXOQH-RYUDHWBXSA-N 385.494 -0.028 30 20 GBED N#Cc1c[nH]c(=O)n(CC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)c1=O 567470896 UBHSVYSHCQUIHK-CQSZACIVSA-N 394.453 -0.243 30 20 GBED COC(=O)[C@H](CN1CCOCC1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 580512639 PLCCDPMQLFVCFD-LBPRGKRZSA-N 398.397 -0.381 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@H](C(N)=O)C2)c1 600760884 LWVOAAIIQWHTHZ-DCAQKATOSA-N 386.455 -0.581 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N(CCN2CCOCC2)CC2CC2)CC1 601507512 PDMQKBCIHOILOV-UHFFFAOYSA-N 377.489 -0.385 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(C(=O)O)c2C)CC1 736076145 LVTGEHCOWANDNU-UHFFFAOYSA-N 379.438 -0.251 30 20 GBED C[C@H]1CN(S(=O)(=O)N2CCN(Cn3cccc(C#N)c3=O)CC2)C[C@H](C)O1 758203750 GOUMILRRWAAMAA-GJZGRUSLSA-N 395.485 -0.351 30 20 GBED C[C@](C#N)(NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C1CC1 786365355 NDMCFFCJGJCYIC-JCQVVMGJSA-N 389.408 -0.109 30 20 GBED O=C(N[C@@H]1CCCN(O)C1=O)c1ccc(C(=O)N[C@@H]2CCCN(O)C2=O)s1 816758050 HSRZZFZYMMZVKR-NXEZZACHSA-N 396.425 -0.032 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](N3CCOC3=O)C2)c1=O 853541643 UPVUNMIUISBRFW-ZDUSSCGKSA-N 377.401 -0.972 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 857311641 XYQFUWBXFXMQOF-GFCCVEGCSA-N 395.437 -0.535 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cnnn2-c2ccccc2)CC1 858942184 SXPDOJXKBXXBKP-UHFFFAOYSA-N 388.453 -0.677 30 20 GBED C#CC1(O)CN(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 891595249 RIMWKWDVHCTNEW-UHFFFAOYSA-N 379.438 -0.403 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)nc2COC)C1 968319109 BTPKEGGAXVEDMU-YVVXQTMVSA-N 392.456 -0.151 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc(OC)cc(OC)n2)C[C@@H]1O 970714137 RVUDMIFQQCJLTA-NDBYEHHHSA-N 392.412 -0.614 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC(=O)NC(=O)N2)nc1 1004749422 VOLCEFVXGQEKKS-RZFFKMDDSA-N 381.392 -0.477 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@@H]1n1ccnn1 1070051668 JELONGIFEVKIPP-YVSFHVDLSA-N 386.460 -0.071 30 20 GBED C=CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 1130237910 JJYDDQFVLGYAFG-RVMXOQNASA-N 378.433 -0.898 30 20 GBED COc1ccccc1CCNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1321352774 PLHPXKTXRPZCFP-WUKNDPDISA-N 386.408 -0.004 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@@H]1COC(C)(C)O1 1323240478 YVPCSUBERYAPIM-QWHCGFSZSA-N 388.428 -0.347 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(C3CCOCC3)C[C@H]2C)nn1 1326251338 WJKMVFXUPRRMDG-CQSZACIVSA-N 376.461 -0.208 30 20 GBED CS(=O)(=O)N1CCN(CC(=O)[C@@H](C#N)c2nc(N)c3ccccc3n2)CC1 1343462787 KIIFNVFMIOONOB-CYBMUJFWSA-N 388.453 -0.035 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)C1 1345880580 XEWIWVQTTMUJML-KXBFYZLASA-N 385.424 -0.434 30 20 GBED C#CCNC(=O)CNCC[C@H]1CCCN(C(=O)[C@H](C)OCc2cnn[nH]2)C1 1575004703 JIVJFQYCVIZJRT-LSDHHAIUSA-N 376.461 -0.323 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@H](C)C(=O)NCc3cnn[nH]3)C[C@H]2C)cn1 1575032513 CVWWRDTXHOORER-PBFPGSCMSA-N 381.440 -0.064 30 20 GBED C=CCNC(=O)[C@H](C)N1CCC(N(Cc2cnn[nH]2)C(=O)CC(N)=O)CC1 1575104185 NLYSRRVHIORSAQ-LBPRGKRZSA-N 377.449 -0.836 30 20 GBED N#Cc1nc(NCCS(=O)(=O)N2CCSCC2)cnc1-c1nn[nH]n1 1581880852 XINBWUNOGHSTFA-UHFFFAOYSA-N 381.447 -0.681 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)O)C2)cc1 1588843866 JXPYQZIWSAHDAN-JSGCOSHPSA-N 375.381 -0.165 30 20 GBED CN(C[C@@H](O)c1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)N1CCO[C@H](C#N)C1 1591052326 WSAJOFMHRAAZSP-ZIAGYGMSSA-N 385.384 -0.891 30 20 GBED COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1779309707 CEZZZZQKEGAFEA-KSSFIOAISA-N 380.445 -0.483 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)cc1 1780696539 YLTYHHLUVRATAQ-JXFKEZNVSA-N 399.451 -0.405 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)CC)[C@H]2C1 1783949315 AOHCLOAYESCXNI-QIEWPSKMSA-N 379.457 -0.405 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21 1788573595 AHKHJFKSPIPYOF-VGWMRTNUSA-N 384.473 -0.452 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)c1ccco1 1792512719 VTRMMNOZXBHLBM-GFISCPRKSA-N 376.409 -0.059 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1797947244 ZBHHYTJRXMGNSN-MBMVNNNZSA-N 385.424 -0.220 30 20 GBED O=C(COCCO)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1799339115 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GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCS[C@H]2COCC[C@H]21 349489707 FXDVTQPHHPGIAD-XQQFMLRXSA-N 397.544 -0.256 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CCCS(=O)(=O)N2CCCC2)CC1 371606600 WPTWCHIFMYOZCC-UHFFFAOYSA-N 398.529 -0.524 30 20 GBED C=C[C@@](C)(O)CC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 408214297 MKMWDCOGUONFLR-IJEWVQPXSA-N 375.491 -0.188 30 20 GBED N#Cc1cccc(N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@H]5O)CC2)n1 410751588 XJZVESUJOCBZIH-JNFQDSBJSA-N 381.436 -0.170 30 20 GBED CNCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 419844527 LWGOZNAMMSFUMR-UHFFFAOYSA-N 393.469 -0.883 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN2C(=O)CC[C@@H]2C1 460727485 ORISYQDEEPUTGS-CQSZACIVSA-N 393.407 0.219 30 20 GBED C[C@@H]1C(=O)NCCCN1S(=O)(=O)CCCCS(=O)(=O)NC(C)(C)C#N 573459177 VFWMJXZOMJIFPG-GFCCVEGCSA-N 394.519 -0.472 30 20 GBED CCc1nc(CNS(=O)(=O)c2ccc(S(=O)(=O)N(C)CC#N)cc2)n[nH]1 573578110 GBFQCSHMKIQSRI-UHFFFAOYSA-N 398.470 -0.010 30 20 GBED C[C@H](O)CN(C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@@H](C)CO 587648163 SCGOIDOCTAZPIE-KBPBESRZSA-N 389.456 -0.372 30 20 GBED C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CC[C@](O)(CC#N)C1 592149273 LXTWRPJYLGBJPS-YVEFUNNKSA-N 378.454 -0.038 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)NCCOCCS(N)(=O)=O)CC2)cc1 596622521 APDRSPDOYOPSIC-UHFFFAOYSA-N 395.485 -0.309 30 20 GBED N#CC1(CNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)CCCCC1 597310786 AKBYELBBTFUZPU-UHFFFAOYSA-N 397.457 -0.200 30 20 GBED COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)[C@@H](C)n1cnc(C#N)n1 600021094 XJSMYTMWYJCVDO-VWYCJHECSA-N 380.430 -0.320 30 20 GBED CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N3CCN(CCC#N)CC3)C2)CC1 601476123 ZOCFMPVHTBKAFY-GOSISDBHSA-N 390.532 -0.329 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CSCN2C(=O)CCCC)CC1 728532426 ZQHRWSOFRQBFHA-HNNXBMFYSA-N 380.514 -0.028 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1CCOC 742143560 IKAGZFDEBUBKQB-UHFFFAOYSA-N 398.444 -0.314 30 20 GBED C[C@@H](CC(=O)NCCN1C(=O)CCC1=O)/N=C1/NS(=O)(=O)c2ccccc21 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393.488 -0.593 30 20 GBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1ncn(C)c1=O 1110855693 FTMUBMHPAYIYEQ-YJNKXOJESA-N 376.461 -0.616 30 20 GBED C=C[C@@H](COC)NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 1116626193 MJUVPJREXWYGLR-NSHDSACASA-N 375.472 -0.020 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1117580266 BXERAONCKCHTGC-AWEZNQCLSA-N 399.444 -0.024 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 1256966877 GLNJHYASYYVDNI-UHFFFAOYSA-N 375.450 -0.125 30 20 GBED N#Cc1cc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c[nH]1 1319898833 MCJPFDAWZHVXHF-CYBMUJFWSA-N 386.455 -0.839 30 20 GBED Cc1c(CNC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cnn1C 1323349521 HPHMYLAHKXBTOS-LBPRGKRZSA-N 382.428 -0.256 30 20 GBED CCNC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1325494782 HRMAZBGUCVREJG-OAHLLOKOSA-N 399.455 -0.478 30 20 GBED N#C[C@@H](C(=O)CNC(=O)Cc1cccc(F)c1)C(=O)N1CCS(=O)(=O)CC1 1341786839 JZAIDBBWPFCTFL-AWEZNQCLSA-N 395.412 -0.550 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)C1=O 1344923982 GAXHZMOMXOCGKZ-ZIAGYGMSSA-N 379.461 -0.506 30 20 GBED N#C[C@@H](C(=O)c1ccc(Cn2cncn2)cc1)C(=O)N1CCS(=O)(=O)CC1 1523842055 CVTSSZILGKOKAL-HNNXBMFYSA-N 387.421 -0.094 30 20 GBED C[C@@H]1C[C@@H]1n1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1543739220 LTOBBMSTWVBGRH-ZOBORPQBSA-N 396.473 -0.079 30 20 GBED C=CCCOCC(=O)N[C@H]1CC[C@@H](C)N(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575100034 KIOWIOABFWPPSX-KGLIPLIRSA-N 392.460 -0.101 30 20 GBED C=CCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1ccc(-c2cnn[nH]2)cn1 1575109133 VKGPQDUGIMRBDP-NSHDSACASA-N 386.416 -0.414 30 20 GBED C#Cc1cncc(C(=O)N(C)C[C@@H](O)CNc2cncc(-c3nn[nH]n3)n2)c1 1588376924 MNHJNBBCENOLFV-ZDUSSCGKSA-N 379.384 -0.422 30 20 GBED C=CCNC(=O)NC(=O)CN(C)CCN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588658523 OLPPOGAVIMXWKT-UHFFFAOYSA-N 389.420 -0.790 30 20 GBED C=CCOC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)O 1588851134 VYDIKVBXAYPZGV-ZYHUDNBSSA-N 388.446 -0.524 30 20 GBED CN(C)[S@@](C)(=O)=NC(=O)CSc1nc(N)c(-c2nn[nH]n2)cc1C#N 1591024898 KLKZWFZUBJEAAL-VWLOTQADSA-N 381.447 -0.091 30 20 GBED CN(CCC#N)S(=O)(=O)N1CC[C@@H](Oc2ccc(-c3nn[nH]n3)cn2)C1 1591062210 RTIYYPSWNYAPOK-GFCCVEGCSA-N 378.418 -0.195 30 20 GBED C=CCOCC(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1602868209 JGUFJWLDZDUNOK-MRXNPFEDSA-N 375.389 -0.909 30 20 GBED N#Cc1ccccc1NC(=O)CCN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1653728149 PGNUGLYXTADPJY-SJORKVTESA-N 392.481 -0.026 30 20 GBED N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1712884600 PCBSVBKLHMUNOS-HZSPNIEDSA-N 381.458 -0.055 30 20 GBED CO[C@@H]1C[C@H](C(=O)O)CN(S(=O)(=O)CCOC2(C#N)CCOCC2)C1 1777158824 FZTJJEIFLBQILD-QWHCGFSZSA-N 376.431 -0.173 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)COCCOC)CCO2)C1 1781267042 JUKIBHRLNAMUBF-IBGZPJMESA-N 398.456 -0.011 30 20 GBED Cn1ncnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782011289 WUOFIZZKZUZLLR-SJKOYZFVSA-N 375.385 -0.969 30 20 GBED 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DDEDYKUIEFGNJK-UGSOOPFHSA-N 394.428 -0.224 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838102054 VIPLFNVBPAEPNJ-FZKQIMNGSA-N 393.396 -0.512 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1839840228 AXGOTMZNGRQSCI-DOXZYTNZSA-N 396.488 -0.752 30 20 GBED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840178439 IROXIHXVMSOEGO-MSOLQXFVSA-N 397.428 -0.638 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1840842812 CATWSTPUWOAKPZ-LPHOPBHVSA-N 389.456 -0.216 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC(=O)NC2)C1 1841111558 AHWAXECFVDSLRM-CQSZACIVSA-N 375.473 -0.002 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCOC1=O 1847691502 OBHMETNULQFZMB-KBPBESRZSA-N 377.445 -0.078 30 20 GBED N#Cc1ncn(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)n1 27723248 PASYXZKTCKCJIS-UHFFFAOYSA-N 390.425 -0.513 30 20 GBED C=CCNC(=O)CN(CCOC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 42861304 OPLIYGWGVSMFOP-UHFFFAOYSA-N 387.440 -0.078 30 20 GBED CC(C)NC(=O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 180505240 AMIQEDIOXJTIES-SFHVURJKSA-N 392.548 -0.179 30 20 GBED COCCN(C(=O)CO/N=C(\N)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 267858583 FYBBBZSMMHJUAT-AWEZNQCLSA-N 399.469 -0.006 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)C[C@H]1C 268894551 ZMYGGEUGLBGOLK-NEPJUHHUSA-N 385.467 -0.129 30 20 GBED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCC(=O)NCCO)c1 270702244 WJCFODGHVYETLZ-XSFVSMFZSA-N 397.457 -0.271 30 20 GBED C=CCS(=O)(=O)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 273013266 BHKSQUYIECWERJ-LBPRGKRZSA-N 385.467 -0.058 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1=O 281465525 SXMAIRVBSAIXTM-SJORKVTESA-N 392.500 -0.055 30 20 GBED CC(=O)NC[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 290437354 ILECMAQRWQQTLC-AWEZNQCLSA-N 380.426 -0.800 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)CC2)c1 298859738 XUCOBSGWAZKDHE-HZPDHXFCSA-N 396.451 -0.129 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 349479245 UDHOCBCBZOABTI-BYNSBNAKSA-N 391.515 -0.009 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)CCO1 410126713 CXVCCJBHLTZZEP-AAEUAGOBSA-N 385.398 -0.786 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 418834060 RBFCLYIVUOHSIF-ULQDDVLXSA-N 392.500 -0.246 30 20 GBED C[C@](O)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)CN1CCOCC1 443241161 AGJZBIQHDNESOR-HNNXBMFYSA-N 384.414 -0.172 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 465271041 VSFIPDWRRFVGGG-CABCVRRESA-N 385.472 -0.205 30 20 GBED COC(=O)c1cc(F)cc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1F 508343667 AWJMUFBJBSZAHR-UHFFFAOYSA-N 378.295 -0.031 30 20 GBED N#Cc1ncn(CCNS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)n1 511377341 JUKPIXAPHATYCJ-UHFFFAOYSA-N 396.454 -0.332 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(Cc3ncc[nH]3)CC2)c1 518846054 BONORXOUURAESU-UHFFFAOYSA-N 388.453 -0.096 30 20 GBED C[C@]1(c2cnccn2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 589059304 AZDLABLNYWHOBO-MRXNPFEDSA-N 386.393 -0.016 30 20 GBED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2cnccc2C#N)CC1 590047092 LLLWIYYKPJIKMG-INIZCTEOSA-N 384.440 -0.271 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCC3CCNCC3)CC2)c1C#N 593782038 MSKOGMPBBPXDSS-UHFFFAOYSA-N 387.488 -0.245 30 20 GBED COCCNC(=O)CN1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 599248076 GPQMXBVFUJXFEJ-QGZVFWFLSA-N 376.457 -0.322 30 20 GBED N#C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 609282997 LEOZEVXLWLGMTB-LBPRGKRZSA-N 383.386 -0.193 30 20 GBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 735381005 JPNMVWCZDLZOAD-CQSZACIVSA-N 396.455 -0.439 30 20 GBED N#Cc1ccc(-n2[nH]c(C(=O)O)c(CCOC(=O)[C@@H]3CNC(=O)C3)c2=O)cc1 739101179 CLUCNYXOLNZVMQ-NSHDSACASA-N 384.348 -0.043 30 20 GBED COCCCNC(=O)[C@H](C#N)C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744024310 RAIPBMWWAGQHLL-GZENYHORSA-N 377.397 -0.600 30 20 GBED Cc1nnc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c(C#N)c1C 747225309 DPLIKUIBTGHZPU-CYBMUJFWSA-N 399.498 -0.396 30 20 GBED N#Cc1cc(F)ccc1S(=O)(=O)NCCS(=O)(=O)N1CCOCC1 751065962 KQSUACIFXWWTMY-UHFFFAOYSA-N 377.419 -0.362 30 20 GBED Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(=O)n(C)c1=O 754378202 DEXFIUWMHQMOPZ-LLVKDONJSA-N 377.401 -0.331 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)COc1cccc(C#N)c1)C2 786230208 JQXTVXHGKFLDQY-UHFFFAOYSA-N 384.396 -0.574 30 20 GBED C#CCC[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 799074689 BGTASCGZVKDXCI-CQSZACIVSA-N 379.438 -0.689 30 20 GBED CN(C)S(=O)(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 829693991 GOERAGDUJDPBJG-NSHDSACASA-N 375.451 -0.646 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)CCC)C2)CC1 831556076 GIGLWKZWBYWRQE-HNNXBMFYSA-N 384.502 -0.363 30 20 GBED N#CCCS(=O)(=O)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 835412880 YEMWAUTYGARXJM-UHFFFAOYSA-N 376.394 -0.582 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2nn(C)c3ccccc23)CC1 894204336 MKQXMOHNDXPENN-UHFFFAOYSA-N 390.469 -0.132 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(CC(=O)OC)CC2)c1=O 918733567 QMFJWCYEMVDILK-UHFFFAOYSA-N 378.429 -0.224 30 20 GBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCN(C(=O)OCC)CC1 919945140 HNHDXYJULKYTFI-CYBMUJFWSA-N 395.503 -0.320 30 20 GBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 970622015 LZVPDQFFLLOODY-LTIDMASMSA-N 389.452 -0.742 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C[C@H]2O)c1 1025552424 RFDAFCPBCJICAT-YFHUEUNASA-N 379.420 -0.098 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(c2ncnc3c2nnn3C)C[C@H]1O 1041377032 DOBQDXLLEQGOQR-JLNYLFASSA-N 387.444 -0.205 30 20 GBED CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 1092921597 BEFNQGXKZDZRRB-NDBYEHHHSA-N 378.458 -0.098 30 20 GBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(CCOC)nn1 1109265977 JGJBHAGKYBUMPS-FQLMCAECSA-N 376.461 -0.050 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@H]1CCCS(=O)(=O)C1 1109936142 LPZVEFOQBFAMTR-WCVJEAGWSA-N 381.498 -0.328 30 20 GBED N#CCOc1cccc(CC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c1 1116740531 FMJOZVPGXLBKQU-UHFFFAOYSA-N 390.425 -0.217 30 20 GBED C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1118682940 PSKASVLHDZLWQQ-FJOSAAFMSA-N 378.429 -0.362 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1O 1220382570 BLDWNRLFWGMTOT-MQYQWHSLSA-N 382.461 -0.637 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3CC(=O)N(C4CC4)C3)CC2)nc1 1258048220 VTZBNBHEOZJYBW-HNNXBMFYSA-N 396.451 -0.082 30 20 GBED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NCC2(CC#N)CC2)CC1 1261227113 JOEFSDYIZHXBSG-HNNXBMFYSA-N 393.488 -0.518 30 20 GBED CN(CCOCCNC(=O)OC(C)(C)C)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1261803295 DCORMHZYCFNFSO-SFHVURJKSA-N 398.460 -0.137 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ncn(C)n1 1303823774 RERXZGJJXJDMHF-LLVKDONJSA-N 393.477 -0.195 30 20 GBED CN(C)CCNC(=O)c1cccc(CNC(=O)C(=O)Nc2cnn(CC#N)c2)c1 1322805535 RERRLVBPOGVZBP-UHFFFAOYSA-N 397.439 -0.047 30 20 GBED C[C@H]1CN(c2ccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)cn2)C[C@H](C)O1 1323105321 SIDAQABMNQYXLU-STQMWFEESA-N 398.427 -0.087 30 20 GBED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC#N)c2)C1 1328887889 UIUICHRKWOHRKN-OAHLLOKOSA-N 394.453 -0.255 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@@H]3CCC[C@@H]3O)CC2)CCN1C1CC1 1332617835 TXQZGFHIFKQLEC-KURKYZTESA-N 389.500 -0.321 30 20 GBED N#Cc1cccc(CN2CCC(NC(=O)C(=O)N3C[C@H](O)[C@@H](CO)C3)CC2)c1 1332842366 NEZNQDIBUJYOQM-AEFFLSMTSA-N 386.452 -0.550 30 20 GBED CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1cnn(CC#N)c1 1334476386 QOJPFGKCZQQAMA-CQSZACIVSA-N 375.433 -0.596 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2[C@@H]2CCN(C(C)(C)C)C2)CC1 1336078131 QQUDZNFGVLATCL-CQSZACIVSA-N 396.521 -0.692 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)/C=C/c2ccc3c(c2)NC(=O)CO3)CC1 1337249972 JGLVEDBMDXWTEX-GQCTYLIASA-N 382.420 -0.076 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2)CC1 1341410341 QGHSRDVXRROETH-UHFFFAOYSA-N 385.424 -0.630 30 20 GBED CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)C1 1342101998 YBKSOFUYHDHQJI-MRXNPFEDSA-N 384.484 -0.173 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)CC1 1346153515 UYTAANBLEVSEQU-HZPDHXFCSA-N 380.489 -0.105 30 20 GBED CNC(=O)[C@@H](C#N)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1347064505 ZSIUXSCDRTXLQQ-LBPRGKRZSA-N 381.410 -0.215 30 20 GBED C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1348146930 SKNYNNMQTRJMHJ-CVEARBPZSA-N 391.472 -0.717 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)C[C@@H](CO)O1 1348325342 VTKRLYAMYCNISE-KGLIPLIRSA-N 390.415 -0.046 30 20 GBED Cn1c(C(N)=O)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1348327485 NQGNHRUIEMOWID-UHFFFAOYSA-N 375.414 -0.703 30 20 GBED CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cc1 1349195147 ZCGVSRIRXGKLNV-YVEFUNNKSA-N 394.453 -0.351 30 20 GBED CN(C)CCN1CCC(NC(=O)NCCn2cc(C#N)c(O)nc2=O)CC1 1467844151 WBCNDGJSQIGWKR-UHFFFAOYSA-N 377.449 -0.854 30 20 GBED N#CCCN1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 1477921193 QJSYFPONILMYJE-HNNXBMFYSA-N 387.506 -0.284 30 20 GBED N#Cc1cc(C(=O)NC[C@H]2COCCN2c2cnc(-c3nn[nH]n3)cn2)c[nH]1 1581865619 LYHARZFUDYFAFM-LBPRGKRZSA-N 380.372 -0.508 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)CC2(C(=O)O)CCCCC2)CC1 1588484286 ZEDHAKMIVTUUHS-UHFFFAOYSA-N 385.486 -0.282 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2CC(=O)O)CC1 1588485127 CXNYGDWVERRVCH-UHFFFAOYSA-N 394.453 -0.392 30 20 GBED C=CCNC(=O)NC(=O)CN1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588659090 ZMTGEPZWDHIPKR-NSHDSACASA-N 387.404 -0.989 30 20 GBED C=CCn1cc(C(=O)N2CC[C@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)[C@H]2C)nn1 1588711920 YFOHRRTYHNVFSJ-MNOVXSKESA-N 381.404 -0.429 30 20 GBED C=CCn1cc(C(=O)N2CC[C@@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)[C@@H]2C)nn1 1588711923 YFOHRRTYHNVFSJ-WDEREUQCSA-N 381.404 -0.429 30 20 GBED C=CCNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O 1602863675 MWXJPLGDCMBQCM-QGZVFWFLSA-N 398.383 -0.355 30 20 GBED Cc1nc(N2C[C@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)ccc1C#N 1606057406 IOVAUXXUWVWYOM-KGLIPLIRSA-N 379.384 -0.251 30 20 GBED CN1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C(=O)O)C1 1610131638 BZUVVJWCAHBXCV-NSHDSACASA-N 380.426 -0.800 30 20 GBED Cc1cc(C(=O)NCC(=O)N2CC[C@]3(CN(C(=O)CCC#N)CCO3)C2)no1 1779122439 CJSBGTFAJGGXEL-GOSISDBHSA-N 389.412 -0.154 30 20 GBED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)C(O)O)CCO3)ccc1F 1781294733 OLFRJHFINRPSBZ-SFHVURJKSA-N 377.372 -0.620 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1781400181 JAKDBXOOEIFLRL-XJKSGUPXSA-N 379.421 -0.696 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782955137 WYVNAVHUEOBDRM-DYVFJYSZSA-N 383.470 -0.057 30 20 GBED C=C(C(=O)N1CC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1)C(F)(F)F 1783204448 XFBCMIQGTIARHR-ZDUSSCGKSA-N 384.376 -0.021 30 20 GBED COc1cccc(CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n1 1783557744 QKDKCGRWQFHGPQ-IBGZPJMESA-N 387.392 -0.449 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCn3ccnn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c1ncnn1C 1794569951 SPCQZFABSOCAAK-XJFOESAGSA-N 377.445 -0.409 30 20 GBED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797808413 NMLOLIZIJDNXJB-KSPMYQCISA-N 381.473 -0.561 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(CC)COC1 1800383030 BLKYVGLFEZXSHT-ZBMGOPDBSA-N 391.468 -0.139 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837296849 KVKHOTMIGCHLRJ-VQTJNVASSA-N 399.403 -0.189 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527903 ZWDHWUHIJFHIJH-CPIJOOSUSA-N 394.428 -0.115 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1839191767 GJCATERGWMULGT-NVXWUHKLSA-N 390.502 -0.594 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)CC)CCO2 1839831187 FMLIJBNMEIPNAB-LJQANCHMSA-N 396.440 -0.069 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(N)=O)CCO3)C2)c1 1839864422 SPGMHNFJTWMFEM-GOSISDBHSA-N 389.412 -0.778 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1840174504 HYDWHTREPYYXMN-PXNSSMCTSA-N 394.516 -0.345 30 20 GBED CN[C@@H](CC(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2)C(=O)O 1842951401 KIOJCLYQOZIDKW-HXJASHHUSA-N 379.461 -0.276 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)c2cc(C#N)c[nH]2)C1 1844796152 OCLNNAWEIKATFG-CYBMUJFWSA-N 375.385 -0.232 30 20 GBED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@H](O)C[C@H]2CO)CC1 248397067 RCQNCNCZCVDKIV-RCCFBDPRSA-N 376.432 -0.038 30 20 GBED CN(C)C(=O)CN/C(=N/C[C@H]1CCOC1)N1CCN(c2ncc(F)cn2)CC1 262264651 FMQIPFQDVIEKQX-CQSZACIVSA-N 393.467 -0.192 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cn1 263720242 RLSLIXGIWWKNQN-UHFFFAOYSA-N 379.442 -0.882 30 20 GBED Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1C#N 267446296 WRJZTXLITOGCGX-UHFFFAOYSA-N 382.384 -0.837 30 20 GBED N#Cc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)O)ccc1F 275086524 JOKHJUKYCIQVHD-JTQLQIEISA-N 376.387 -0.040 30 20 GBED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 282410992 XFZFZKRAHNFTSV-UHFFFAOYSA-N 389.460 -0.471 30 20 GBED COc1cnc(NCCn2cnc(C#N)n2)nc1NCCn1cnc(C#N)n1 286404518 OPANTYQLOHBPQE-UHFFFAOYSA-N 380.376 -0.364 30 20 GBED C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(/C(O)=N/Cc3nnn(C)n3)CC2)C1 330234668 STBCKUXWCJNWKE-OKILXGFUSA-N 378.481 -0.254 30 20 GBED Cc1ccc(C(=O)N2CCN(C[C@H](C)O)CC2)cc1S(=O)(=O)NCC#N 331180273 RGLIIGFJFMKOSG-AWEZNQCLSA-N 380.470 -0.065 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)cn(C)c1=O 349506845 UKGSKOVASDFEHN-UHFFFAOYSA-N 388.471 -0.389 30 20 GBED CC1(C)CCN(S(=O)(=O)CCCCS(=O)(=O)NCC#N)CC[S@@]1=O 349603511 BKYJLIPRWRGCNL-QFIPXVFZSA-N 399.560 -0.228 30 20 GBED CN(C)C(=O)NCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 440701786 BLVKHQHEDJAWTK-UHFFFAOYSA-N 387.375 0.209 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCN2CC=C(C)CC2)CC1 498945604 AFTXZXAHBIMPCP-UHFFFAOYSA-N 377.489 -0.799 30 20 GBED COc1cc(C#N)ccc1OCCN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 498987143 MGWQJVOVUYQDCV-JKSUJKDBSA-N 395.481 -0.279 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2CS(N)(=O)=O)c1 564468311 DAYZDKYEWHPRNU-LBPRGKRZSA-N 386.455 -0.884 30 20 GBED CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 567394807 LJRFPTHIKNQTGW-UHFFFAOYSA-N 380.405 0.560 30 20 GBED COc1cc(C#N)ccc1OCC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 582494177 INCVDTAHCJTGKX-UHFFFAOYSA-N 394.453 -0.609 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(N2CC[C@@H](O)C2)C1 593856418 WDSAZMPVGIHLTH-SWLSCSKDSA-N 378.454 -0.498 30 20 GBED N#Cc1ccc(N2CC[C@@H](OC(=O)Cn3cc(S(N)(=O)=O)cn3)C2=O)cc1 748427949 QZWKFYCHRYAHRY-CQSZACIVSA-N 389.393 -0.249 30 20 GBED C[C@@H](C#N)Oc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 771891222 TUCNQLZQFVVHCZ-NSHDSACASA-N 391.409 -0.313 30 20 GBED CNC(=O)[C@@H]1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCO1 782090238 VYHQZSFATBUDNR-YPMHNXCESA-N 394.453 -0.523 30 20 GBED C[C@H](CC(=O)N[C@H]1CCC(=O)N(C)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 819723761 NHPKWWKRZFLXTK-PWSUYJOCSA-N 392.437 -0.233 30 20 GBED C#CC1(O)CN(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 934442817 CVNULSFAEJMSKX-QGZVFWFLSA-N 385.420 -0.823 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)c3cn(C)c(=O)n3C)C[C@@H]21 960983252 HKFXOBSTCDRZTM-BFJAYTPKSA-N 390.440 -0.633 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2cccc(C)c2=O)C1 963089236 ZXASQHDBZXOCFW-WCVJEAGWSA-N 375.425 -0.564 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(O)n2)C[C@@H]1O 964192752 DPYKGNUYINJMLM-NEBZKDRISA-N 378.429 -0.202 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CCOC)nn2)C[C@H]1O 1023960193 CZPUSNQSQJINPI-XOUADPBQSA-N 393.444 -0.793 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCCN(C)CC(F)(F)F)CC1 1117070450 IJBPQCBMWZZAOR-UHFFFAOYSA-N 390.406 -0.025 30 20 GBED N#CCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 1317939703 NCESWPZTJANOGV-UHFFFAOYSA-N 399.407 -0.523 30 20 GBED N#Cc1cnc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(Cl)c1 1320963615 UFRBIIQKEGQZER-OLZOCXBDSA-N 384.845 -0.478 30 20 GBED N#CCN1CCC(NC(=O)C(=O)NCCS(=O)(=O)Cc2ccccc2)CC1 1321876643 AGHLVPROLNLXKJ-UHFFFAOYSA-N 392.481 -0.178 30 20 GBED C#CCCCCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1322907957 SKTDYJRSPCYTIA-HNNXBMFYSA-N 385.486 -0.441 30 20 GBED C[C@@H](NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1ncn(C)n1 1323788756 ICADVYIYXFMJCQ-VXGBXAGGSA-N 383.416 -0.609 30 20 GBED CC(C)NC(=O)CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1327077574 NGIUMBPSLVKFGA-INIZCTEOSA-N 399.451 -0.194 30 20 GBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)C1 1328817194 YKIZORNVMJOCSH-WFASDCNBSA-N 390.437 -0.945 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 1335031101 MQSPOOOYKHKKQV-HNNXBMFYSA-N 379.457 -0.234 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)nn1CCC#N 1336872177 GFGUUFNDXCXMJR-UHFFFAOYSA-N 396.473 -0.074 30 20 GBED COC(=O)CN(C)CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1337090818 NVHJDPSWUCNZHL-UHFFFAOYSA-N 396.469 -0.274 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1 1353684989 IXSDLMGQSKZSKW-KRWDZBQOSA-N 394.516 -0.561 30 20 GBED COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1c(=O)c(C#N)c(C)n(C)c1=O 1559448796 QHVDPBLJSNDRJA-INIZCTEOSA-N 396.403 -0.146 30 20 GBED CN(C[C@@H](O)CN(C)c1cnc(C#N)cn1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1579029955 KJKBTGUCWNSXSP-NSHDSACASA-N 382.388 -0.574 30 20 GBED C#CCOCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2cncc(-c3nn[nH]n3)n2)C1 1588359663 WDAIJFPGQMBODC-TZMCWYRMSA-N 386.416 -0.276 30 20 GBED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)C(=O)O 1595639469 ZCALJODWQPBIQL-NEPJUHHUSA-N 383.426 -0.154 30 20 GBED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cn[nH]c2)CCO1 1750388559 PWDPFMVRGQSAHS-ZIAGYGMSSA-N 391.457 -0.125 30 20 GBED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1781854790 PBZXTJJFAXLOEP-SUMWQHHRSA-N 382.417 -0.427 30 20 GBED COC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1784262648 ZEOCBWHJRYMYFV-SUMWQHHRSA-N 384.433 -0.027 30 20 GBED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1784373595 DSGDJUZBSBKQBR-APWZRJJASA-N 389.456 -0.137 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]21 1784481316 NTBNBLISDGFFRK-MRMCGTTGSA-N 376.453 -0.103 30 20 GBED CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21)C(=O)O 1786894010 RMBRXAOFWNICHA-JONQDZQNSA-N 377.441 -0.558 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1793342223 BGOUZXHCHLYMHQ-NXOAAHMSSA-N 390.484 -0.104 30 20 GBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1795423924 LTUFCOOIROJXFW-QHBPRCKVSA-N 396.494 -0.260 30 20 GBED O=C(O)C#CC(=O)N1CCC2(CCCN(C(=O)CN3CCOCC3)C2)CC1 1809545987 HAPXTLHINCCZHR-UHFFFAOYSA-N 377.441 -0.362 30 20 GBED CC(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825671697 MTRUOSVPWBCQLB-SCZZXKLOSA-N 378.410 -0.332 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C)COC1)CCO2 1830026712 NKFMDTGEXNKDEV-KXBFYZLASA-N 380.441 -0.482 30 20 GBED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1831413286 UQYNHXNPVHYRKA-LJQANCHMSA-N 397.472 -0.438 30 20 GBED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(=O)N(C)C)CC2)CC1 1833464819 VVWASACECCJENJ-OAHLLOKOSA-N 392.500 -0.316 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2 1833492115 YFGQUDHJPFKVIM-KRWDZBQOSA-N 389.368 -0.842 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccno3)CCO2)C1 1834146364 RGIPXZRCYRKHEG-KBXCAEBGSA-N 377.397 -0.217 30 20 GBED Cn1ccc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)n1 1834218952 OKLJMDLFUIQFPJ-UHFFFAOYSA-N 387.440 -0.307 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2 1837530782 QNZOSFHYBAKUDA-FHIITYSISA-N 379.413 -0.395 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838798249 JUDAGXBBVNZKQL-SFHVURJKSA-N 392.412 -0.213 30 20 GBED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)nn1C 1838835512 ZRWMPAPOZWZRIA-YVEFUNNKSA-N 398.485 -0.183 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1840159564 HJOZHJDIAIZWGC-ABAIWWIYSA-N 390.531 -0.222 30 20 GBED Cc1nccn1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840163480 IDURBIRSRZXRHI-GUYCJALGSA-N 382.486 -0.034 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(CC#N)CC2)cc1 265729902 AWBXQRDCFDIBMN-ZDUSSCGKSA-N 393.469 -0.020 30 20 GBED Cc1ccnc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1C#N 273272511 BXAATHXWBFZQCB-ZDUSSCGKSA-N 384.483 -0.099 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCS(=O)(=O)C[C@@H](C)C1)c1cc[nH]n1 278296551 HZCDLQYZECJKFL-KEVMXDQOSA-N 386.430 -0.413 30 20 GBED COC[C@@H](NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[C@H]1CCCO1 289642061 JOCITJGJCFUVMM-HZPDHXFCSA-N 387.440 -0.088 30 20 GBED CCOCCS(=O)(=O)NCC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 293749688 OYOOKZGZQKOMNY-AWEZNQCLSA-N 382.442 -0.111 30 20 GBED CC1(C)NC(=O)N(CCS(=O)(=O)CC(=O)NCc2ccc(C#N)cc2)C1=O 299407284 OLNNNYVNUILHMY-UHFFFAOYSA-N 392.437 -0.080 30 20 GBED CS(=O)(=O)N1CCC[C@H](/N=C(/O)N[C@@H]2CCCN(S(C)(=O)=O)C2)C1 328644505 GRCLJNZOKJRUPP-TXEJJXNPSA-N 382.508 -0.662 30 20 GBED CN1CCN(C(=O)CC/N=C(/O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 329235615 ITPUYRWUMSWDDS-LLVKDONJSA-N 379.383 -0.183 30 20 GBED CC[C@H](N/C(O)=N/[C@@H]1CCc2nc(COC)nn2C1)C(=O)N1CCOCC1 329816812 WGPMGHJCOURBLB-OLZOCXBDSA-N 380.449 -0.120 30 20 GBED C[C@@H](O)[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)C1 349494454 CKDULCGADUSKDB-CHWSQXEVSA-N 381.520 -0.027 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@]2(CCN(C)C2)C1 349505862 SNPFCSBMJJWWFP-LSDHHAIUSA-N 392.547 -0.092 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)C[C@@H](C)N1C 349514483 VBSSSIJSGZXTOR-MCIONIFRSA-N 380.536 -0.096 30 20 GBED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](C(=O)NCCN)C1 440341694 PZMNUIZCZJQVHS-NSHDSACASA-N 381.414 -0.058 30 20 GBED C=CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 508816695 KETPBFQDWQPXFR-INIZCTEOSA-N 390.488 -0.051 30 20 GBED C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H]1O 509084435 OFOQWSALDFUIBF-ZBFHGGJFSA-N 392.481 -0.296 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC(=O)N3CCNCC3)C2=O)cc1 516025859 RBINHBZPZWUVGS-MRXNPFEDSA-N 384.440 -0.215 30 20 GBED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 536976748 NCRHKSQOCBSARO-UHFFFAOYSA-N 375.433 -0.446 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccc(C)c1C#N 544837303 OKKPHGFCDIBNNP-AWEZNQCLSA-N 395.437 -0.065 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)O)CC2=O)C1 565055576 RIPRTVSFQZBHRC-OLZOCXBDSA-N 388.446 -0.899 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 576846794 OHCAUKIUMSHSTN-UHFFFAOYSA-N 375.414 -0.854 30 20 GBED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C2CC2)c1=O 603552804 NOUHQUGNZRIYKU-UHFFFAOYSA-N 385.449 -0.660 30 20 GBED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2cccc(F)c2)c1=O 727165313 YJBWVDYMUHCOBT-UHFFFAOYSA-N 392.437 -0.375 30 20 GBED C#CCNC(=O)CN1CCN(Cc2nc(O)c3ccc(C(=O)O)cc3n2)CC1 736076725 TXSYYGOVSHVFOX-UHFFFAOYSA-N 383.408 -0.099 30 20 GBED Cc1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)c1C#N 743902356 ZYZNZBLCJAORIR-UHFFFAOYSA-N 380.426 -0.417 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 747276462 CXMKYEFFHMVQDX-UHFFFAOYSA-N 381.414 -0.564 30 20 GBED COC(=O)C[C@H]1CCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C 794524382 XVZHOCIABJSIAU-VHSXEESVSA-N 386.430 -0.673 30 20 GBED C#C[C@H](NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1)[C@H]1CCCO1 805367177 ZQESTTJCFPZVGQ-JKSUJKDBSA-N 378.473 -0.658 30 20 GBED C#CCCS(=O)(=O)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 810786371 GIRCHYHERKYWKJ-NSHDSACASA-N 383.451 -0.027 30 20 GBED CN(C)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)o1 813984818 CCFMUELDSNQJMP-UHFFFAOYSA-N 384.395 -0.085 30 20 GBED Cc1oc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)cc1S(=O)(=O)N(C)C 822541367 NRSXFYGMGFCMOD-UHFFFAOYSA-N 391.373 -0.135 30 20 GBED N#Cc1nc(N)n(CC(=O)Nc2cc(-n3cnnn3)ccc2F)c1-c1nn[nH]n1 822846282 UJGNFNVYWNGUIP-UHFFFAOYSA-N 395.322 -0.729 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(CO)COC(C)(C)OC1 834488761 KZJVJEIZOANIQN-LBPRGKRZSA-N 397.453 -0.145 30 20 GBED COC(=O)NCCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 848942791 YAKWCAGOHPEDAG-JTQLQIEISA-N 390.443 -0.489 30 20 GBED C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)N=c1nc[nH]n1C(C)(C)C 848965448 PTAAXKHYKPIPCP-NSHDSACASA-N 377.492 -0.472 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(N2CCN(C(=O)OC)CC2)nc1 850709471 UVBNZCQXHHGUSW-GFCCVEGCSA-N 377.401 -0.428 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@@H]2COC[C@]2(C(=O)O)C1 851697316 LIYAEAURIRJWSG-QLJPJBMISA-N 379.394 -0.715 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)C[C@@H]2COc3ccccc3O2)CC1 881859723 BBNJZWSCQRDJSF-HNNXBMFYSA-N 393.465 -0.477 30 20 GBED C#CCN1CCC[C@@H](NC(=O)C(=O)N2C[C@H](C(=O)NC)Oc3ccccc32)C1 891606786 IWSQBFYLVGVJSB-RHSMWYFYSA-N 384.436 -0.260 30 20 GBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1)[C@@H]1CCCO1 898003421 IQGSDPUOTRTKKI-SQNIBIBYSA-N 392.500 -0.804 30 20 GBED Cn1c(=O)c2c(ncn2CCC(=O)NCCNc2ncccc2C#N)n(C)c1=O 917156225 DVOVBMVEYJMTQA-UHFFFAOYSA-N 396.411 -0.681 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)C[C@H]1OC 946818275 CMEIYIOPEMLXNH-LVQVYYBASA-N 390.440 -0.515 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)COc3cnn(C)c3)C[C@@H]21 960977569 LAOPQFBSZBHTDG-LTIDMASMSA-N 390.440 -0.172 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@@H]1O 964219057 QHGFAUDVIBNEHM-UKMLZYKCSA-N 390.440 -0.214 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2nc(C)no2)C[C@@H]1O 964615420 QYAQMZHAKYMJEH-KBXIAJHMSA-N 378.429 -0.020 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccnc3[nH]nnc23)C1 969271393 ZHTRYTWWCXKELX-XFMPKHEZSA-N 386.412 -0.364 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]21 975262164 LNNBMCFFOFDPLI-SYQHCUMBSA-N 388.428 -0.973 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nccnc2C(N)=O)c1 1001890946 ROQZIMTVLLVTJT-WZRBSPASSA-N 379.380 -0.049 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3c(n2)OCCO3)C1 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382.424 -0.105 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2cnn[nH]2)nc1 1575071766 BVMZSHWCSXATOE-SCLBCKFNSA-N 388.428 -0.257 30 20 GBED C#CC[C@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588331639 QHPGLGXIWQMJKT-ZYHUDNBSSA-N 378.414 -0.966 30 20 GBED C#CCNC(=O)[C@H](C)N(C)C[C@H]1CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588353361 PNGXCQMAWLCPSA-GXTWGEPZSA-N 384.444 -0.131 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@@]1(C)CN(c2ccc(-c3nn[nH]n3)nn2)CCO1 1588505731 WHJDWCVVPXSVBV-IRXDYDNUSA-N 388.432 -0.305 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCC(=O)O)CC(=O)OC(C)(C)C)C1=O 1588832161 DTBRIUFEYVSZHU-UHFFFAOYSA-N 397.384 -0.392 30 20 GBED O=C(O)[C@@H]1C[C@@H](O)CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1608603464 XQVUDLFZIQWGLR-GHMZBOCLSA-N 381.410 -0.591 30 20 GBED Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCS(=O)(=O)N1CCOCC1 1621709423 SEFQTJUHQLWHAY-UHFFFAOYSA-N 391.446 -0.054 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCCS(C)(=O)=O)C[C@H]1O 1757001894 BYMLSKXADUDEKK-NHIYQJMISA-N 388.486 -0.520 30 20 GBED CN(C)S(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1768526639 YDARCEDFUDVCQG-AWEZNQCLSA-N 391.457 -0.040 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778844349 FRPKDVVOCRYEJM-QGZVFWFLSA-N 375.433 -0.301 30 20 GBED NC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779141028 NIAJPYGVAJVMAR-WPJYADHBSA-N 377.401 -0.803 30 20 GBED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)C2 1782181562 UFYCHZWSPUXANC-HPTBWKMGSA-N 386.518 -0.589 30 20 GBED NC[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1783562153 FZYDWMGPHLGLBE-UZLBHIALSA-N 385.420 -0.353 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NC(C)=O)C[C@@H]21 1784477710 KNRJXKCEHAJUMU-IWCQGFGOSA-N 393.484 -0.081 30 20 GBED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21)n1cnnn1 1791685075 IRSWPRYBTQQLPN-XUXIUFHCSA-N 375.433 -0.236 30 20 GBED CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](S)C(C)C)C2)C(=O)O 1795640691 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Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)co1 1834212818 BGPXFQJJTKOCKA-QGZVFWFLSA-N 377.353 -0.859 30 20 GBED CS(=O)(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835347655 AYBILQXSHPVUCM-KRWDZBQOSA-N 399.469 -0.819 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836350780 PDRTYOBCXJBPIV-SUMWQHHRSA-N 394.432 -0.324 30 20 GBED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839080418 UOOJKCBDWGOOHX-ABSDTBQOSA-N 393.484 -0.641 30 20 GBED Cn1c(N)c(C(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)c(=O)n(C)c1=O 9452944 PMFROJBGPBIUOP-UHFFFAOYSA-N 399.363 -0.442 30 20 GBED C=CCNC(=O)NC(=O)CN1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 17523453 OIUJGRLKMPGVPR-UHFFFAOYSA-N 399.473 0.000 30 20 GBED C#CCNC(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@H](C)O 18955860 IVPNMVQSAZMVTR-XJKSGUPXSA-N 382.438 -0.376 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCN1CCNC(=O)C1 271045161 RSPPGAAHERVXNL-CYBMUJFWSA-N 393.469 -0.837 30 20 GBED CN1CCN(S(=O)(=O)c2ccccc2C/N=C(/O)N2CC(=O)N(C)C2)CC1 329606951 IFRPAFSLJNRORY-UHFFFAOYSA-N 395.485 -0.232 30 20 GBED CS(=O)(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 330784792 SKOPAOCFJCXRTM-UHFFFAOYSA-N 385.467 -0.174 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[S@](=O)C[C@H](C)C1 349452747 DNHUPBSYOWEYKF-IFMYKAFSSA-N 399.560 -0.420 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H]1CCNC1=O 349462589 YIJTWEJTOWPNOL-QWRGUYRKSA-N 386.455 -0.614 30 20 GBED CNC(=O)[C@@]1(C)CCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)C1 349495655 MKAVVKNQYXHEFO-ZDUSSCGKSA-N 392.503 -0.860 30 20 GBED C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N2CCSC[C@H]2C#N)CO1 349579075 SQWMGBSLDIIHAK-JHJVBQTASA-N 397.544 -0.256 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCN(C)S(=O)(=O)N(C)C[C@@H](C)C#N 410385979 JKOXNDBDEYNIDZ-STQMWFEESA-N 394.523 -0.820 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCCCN2CCNCC2)CC1 419879537 YWPOUKJLVVJXFI-UHFFFAOYSA-N 384.484 -0.382 30 20 GBED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H](N)CCCC#N)CC2)C[C@@H](C)O1 424094509 LUHNBEGXLQSAOA-ZNMIVQPWSA-N 387.506 -0.494 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)n(CCC#N)n1 532602704 NTLJYIAVZTWVQP-UHFFFAOYSA-N 389.460 -0.288 30 20 GBED CCN(C(=O)CN(C)CCCc1[nH]nc(N)c1C#N)[C@@H]1CCS(=O)(=O)C1 536342570 ZBXDZKJASXUKJO-GFCCVEGCSA-N 382.490 -0.236 30 20 GBED CN(C1(CO)CC1)S(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 572015536 LZNCVEFILDHNCM-UHFFFAOYSA-N 398.466 -0.130 30 20 GBED CCN(CC(N)=O)S(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)C#N)cc1 580449734 YOYYQVSOEYGVHM-LLVKDONJSA-N 388.471 -0.285 30 20 GBED CN(CCC#N)S(=O)(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 603640532 ARZSEPJEEIGRMA-UHFFFAOYSA-N 387.487 -0.454 30 20 GBED Cc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(N)=O)c1=O 608911656 ODIUHXYWGPJFCR-UHFFFAOYSA-N 396.472 -0.171 30 20 GBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(F)c1C#N 742277479 WDFJXPTUWKPEHA-SNVBAGLBSA-N 389.430 -0.379 30 20 GBED C[C@@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)NC2(C#N)CCC2)C1=O 783984974 VCDVEZDCQIJXLM-KRWDZBQOSA-N 394.395 -0.008 30 20 GBED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NCCn1cnc(C#N)n1 803550728 OREHCRJRSHNFNJ-GFCCVEGCSA-N 391.432 -0.218 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 823932291 SMDXPYMWPIHQTL-UHFFFAOYSA-N 382.377 -0.339 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)COCc2ccc(OC)cc2)CC1 831556008 FDNLLQWMDQACPU-UHFFFAOYSA-N 381.454 -0.176 30 20 GBED C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccn(C)n2)CC1 848962629 JYYPLXRSZPOIMA-UHFFFAOYSA-N 389.503 -0.868 30 20 GBED C/N=C(/NCCN1CCOCC1)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O 849051037 STRKGVHKLHWOCF-LSDHHAIUSA-N 375.539 -0.408 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 850712656 OFSVOPNOJPWEJM-SFHVURJKSA-N 378.429 -0.679 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC1(C(=O)O)CCOCC1 852960971 WPYFZIXOSZDNNK-UHFFFAOYSA-N 381.410 -0.135 30 20 GBED C=CCn1cc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@@H]4CCN(C)[C@@H]4C)C[C@@H]32)nn1 960402598 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C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCN(C)[C@@H]2CC)C[C@@H]1n1ccnn1 1129850251 VGSMDNKXYWVIKG-HZMVEIRTSA-N 387.488 -0.901 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 1196251556 JXRHIKGVWKJEQF-KCYZZUKISA-N 388.472 -0.553 30 20 GBED COCC#CCN1C[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@H](C)C1 1208051442 LEIBZLSYMRMLEW-MKXGPGLRSA-N 379.501 -0.048 30 20 GBED N#CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1C[C@H]1C1CCOCC1 1218282538 WEDNGYVZWDEYID-VVLHAWIVSA-N 376.457 -0.400 30 20 GBED COCCN(C[C@H](O)C(F)(F)F)C(=O)CCn1cc(C#N)c(O)nc1=O 1300131713 SOJMWAXPLPGJHO-JTQLQIEISA-N 378.307 -0.391 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 1321132463 MIKMWBSQXDOSQH-UHFFFAOYSA-N 395.441 -0.777 30 20 GBED CCS(=O)(=O)N1CCC(CNC(=O)C(=O)NC2CCN(CC#N)CC2)CC1 1328684681 HBDHKFVNESFXMB-UHFFFAOYSA-N 399.517 -0.732 30 20 GBED C=CCn1c(C2CC(O)C2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1351749993 CMHPAUVBHVIWQV-UHFFFAOYSA-N 390.488 -0.317 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1COCCO1 1574938378 YGXKBIIBALLSPH-OAHLLOKOSA-N 383.416 -0.148 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@@](C)(CNC(=O)CC(=O)NCc2cnn[nH]2)C1 1575013561 RPMIXVBETYHXEL-ACJLOTCBSA-N 390.444 -0.796 30 20 GBED N#CCSCC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2cnn[nH]2)cn1 1577710113 PMVCBDVCSPZJPO-LLVKDONJSA-N 375.414 -0.670 30 20 GBED CCN(CCC#N)C(=O)CN1CC[C@@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1577909373 OFVGOOPBKHNHFC-GFCCVEGCSA-N 385.432 -0.239 30 20 GBED CCN(CCC#N)C(=O)CN1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1577909559 XFXBPJPOHSANQW-UHFFFAOYSA-N 385.432 -0.285 30 20 GBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O 1588376738 JUODKRFEYOUDRZ-CVEARBPZSA-N 390.407 -0.454 30 20 GBED CC(C)(C(N)=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)O)CC1 1589681848 ICHKYFWQZIYMPJ-UHFFFAOYSA-N 380.426 -0.173 30 20 GBED CN(C)S(=O)(=O)N(CC#N)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 1591022629 DINGREYDJKOKDL-UHFFFAOYSA-N 378.418 -0.885 30 20 GBED N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC2(O)CCOCC2)CCO1 1771539124 OCFQMIPJZNLKCQ-CQSZACIVSA-N 390.444 -0.329 30 20 GBED COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1779309705 CEZZZZQKEGAFEA-KDOFPFPSSA-N 380.445 -0.483 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1782017229 CKZFJTLWPQDYNE-IDKQUVGQSA-N 376.409 -0.519 30 20 GBED CN1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)CC1 1784385797 YVCHZDFRESTJFJ-FHWLQOOXSA-N 388.512 -0.373 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785538140 JIQQHUYPQYCJHF-MRXNPFEDSA-N 396.494 -0.020 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1793360554 TXCCUNJILMFBCG-JGFGOLAASA-N 379.457 -0.307 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1 1801436100 BKBCQVFKFKTHRD-AHDPXTMNSA-N 392.460 -0.603 30 20 GBED CS(=O)(=O)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1822972730 ODNVYZNHZIWRMK-GFCCVEGCSA-N 396.425 -0.076 30 20 GBED CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830063999 BVMHHKHISJOTNS-ACJLOTCBSA-N 380.445 -0.483 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1835354191 OTRUFULMSNWMRC-QGZVFWFLSA-N 375.385 -0.444 30 20 GBED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839079710 JXYAMWDACYDKOB-PASDCYSWSA-N 381.473 -0.622 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1840841855 ZDUIYOCAJVMHBB-QUCCMNQESA-N 386.452 -0.049 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1840842651 SPAOBFPQFQHGSL-IBGZPJMESA-N 393.440 -0.302 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CN2CCN(c3ccccn3)CC2)CC1 120303164 YVDFDGJHVBLWOI-UHFFFAOYSA-N 398.511 -0.513 30 20 GBED C#CCN1CCC(C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)CC1 265015834 IFRBIIJINSUEKT-UHFFFAOYSA-N 376.486 -0.034 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)CC1 269822779 YNWAPYLEXOBZHB-HNNXBMFYSA-N 395.485 -0.710 30 20 GBED C#CCNC(=O)CN1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 271326471 VFLASMQTMVOAGN-UHFFFAOYSA-N 386.455 -0.069 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnc(NC(C)=O)s2)CC1 286892843 NQULZQDXRWXMTG-UHFFFAOYSA-N 399.498 -0.453 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)CC[S@@](=O)C1 349456262 IMWRXZQBHOVNFJ-VERVWZFWSA-N 397.544 -0.618 30 20 GBED CCNC(=O)COc1cccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)c1 409592180 BNICFPATOCFHNN-HNNXBMFYSA-N 382.442 -0.240 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)NCCN(C)S(=O)(=O)N(C)C[C@H](C)C#N 410385455 JKOXNDBDEYNIDZ-CHWSQXEVSA-N 394.523 -0.820 30 20 GBED COC[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@H]1CCCO1 435290924 LWIXDGCPUZNSRK-JKSUJKDBSA-N 398.423 0.447 30 20 GBED N#CCN1CCN(C(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 468786887 BPJWGYIUTDGQTI-HNNXBMFYSA-N 383.408 -0.416 30 20 GBED CN(CC(=O)NC[C@H]1CC[C@H](C(N)=O)O1)S(=O)(=O)c1ccc(C#N)cc1 470235973 FDWMNZICJNLMDK-TZMCWYRMSA-N 380.426 -0.672 30 20 GBED Cc1nc(S(=O)(=O)NCC(=O)N(C)CCCc2[nH]nc(N)c2C#N)cn1C 539355046 CDZHSZRYLQDPKK-UHFFFAOYSA-N 394.461 -0.725 30 20 GBED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)C(C)C 559867888 RLVFNOXOGRXMCW-GJZGRUSLSA-N 386.518 -0.309 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)C(=O)NCCN(C)C 565607420 INDDCVIVHDDMFM-OLZOCXBDSA-N 395.485 -0.592 30 20 GBED N#CC1(NS(=O)(=O)c2ccc(S(=O)(=O)NC[C@H]3CNC(=O)C3)cc2)CC1 577650617 ZVFWJBFDWUJRJR-LLVKDONJSA-N 398.466 -0.565 30 20 GBED N#C[C@@H]1CN(C(=O)NCCOCCS(N)(=O)=O)CCN1Cc1ccccc1 596623466 SVXXOUXHAZWFGV-MRXNPFEDSA-N 395.485 -0.289 30 20 GBED CS(=O)(=O)NC1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 600033184 UOQJUSNSQVBNGU-UHFFFAOYSA-N 388.352 -0.142 30 20 GBED C[C@H]1CN(CCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 725721088 MHRJKNPVXXWYJG-ZDUSSCGKSA-N 380.470 -0.048 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 728570620 IARSWAQETMYEEP-UHFFFAOYSA-N 399.495 -0.171 30 20 GBED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CN2CCC(=O)NC2=O)c1 731981898 HOQTTZZFRQDVQE-UHFFFAOYSA-N 398.419 -0.198 30 20 GBED O=C(O)Cc1nc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n[nH]1 739901388 QOIDAHRXRNBMMU-UHFFFAOYSA-N 392.397 -0.111 30 20 GBED C#CCNC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O 748767239 VWOBBKAFIFDRTP-HZMBPMFUSA-N 388.829 -0.340 30 20 GBED C#CCN1CCN(C(=O)CN(C)CC(=O)N2CCC[C@H](C(=O)OCC)C2)CC1 748811627 AWSFRVQCNOPEHM-KRWDZBQOSA-N 392.500 -0.503 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2sccc2C(N)=O)CC1 761038533 WKJUZGIPOGSMOY-NSHDSACASA-N 399.498 -0.741 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767630427 ZVYBYIZVGOFPSY-NSHDSACASA-N 394.409 -0.220 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)c1 820370763 BCSBXWJQMKQQAR-YOEHRIQHSA-N 378.498 -0.038 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccsc2CC(=O)OC)CC1 831574485 IQXNYHQDGWRHFI-UHFFFAOYSA-N 385.467 -0.311 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@H](O)COc2ccc(C(=O)O)cc2)CC1 833365077 BDMPROAAIXVDBA-HNNXBMFYSA-N 397.453 -0.790 30 20 GBED C#CC[C@H](NC(=O)c1cc(C(=O)N[C@H](CC#C)C(=O)OC)ccn1)C(=O)OC 837942257 DASHAWZIKLUGCI-KGLIPLIRSA-N 385.376 -0.329 30 20 GBED C#Cc1cccc(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)c1 842032980 LSIGLQYRQRGFHZ-SFHVURJKSA-N 382.464 -0.046 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 967220225 ZZJPCFLLLXYTBV-NCOADZHNSA-N 390.484 -0.556 30 20 GBED C#CCN1CCC(C(=O)NC2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)CC1 993854841 ISUJERAHWRYOFF-RYQLBKOJSA-N 375.469 -0.290 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC(C)CC2)C1 1023754169 GNOCLBNDIIOCPX-FPCVCCKLSA-N 379.457 -0.476 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)N2CCNC(=O)C2)[C@@H]1CC 1087577062 SXZXUSXBQZMRMQ-TWMKSMIVSA-N 392.500 -0.105 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1108484808 QPMXZTSMLOWLBR-VVLHAWIVSA-N 393.509 -0.518 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2c(C)nn(CC(=O)OC)c2C)C1=O 1116371240 GFCPPDWVTSSRCI-UHFFFAOYSA-N 391.384 -0.734 30 20 GBED CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1118890340 JLUVCHOCXJCAGN-VBMPLNBNSA-N 384.458 -0.121 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(CC(=O)NC(=O)NC)C[C@@H]21 1217932312 ADYFDRCXRKXLFW-CBBWQLFWSA-N 380.445 -0.665 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(C(=O)NCC)cc1 1257015699 ZBQLWGXJABDUQO-UHFFFAOYSA-N 381.454 -0.231 30 20 GBED C#CCSCCNC(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 1319554253 QTBKUZCVPAFIFQ-UHFFFAOYSA-N 385.467 -0.686 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2nnc3n2CCCCC3)CC1 1321422306 CBUCUZZGPUVTOX-UHFFFAOYSA-N 386.456 -0.391 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1)[C@H]1CCCO1 1323818879 BGOFBAJICADFDO-CHWSQXEVSA-N 399.494 -0.218 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCCNC(=O)c2ccc(F)cc2)C1 1326129882 ZCDVJASDQNQSDF-SFHVURJKSA-N 376.388 -0.061 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCC1(C)OCCO1 1326661215 RASFZEBACIXSIT-CYBMUJFWSA-N 388.428 -0.345 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 1328075022 MKIGUDKAACLELR-DGCLKSJQSA-N 391.453 -0.583 30 20 GBED N#Cc1cccc(CN2CCC(NC(=O)C(=O)N3CC[C@@H](NC(N)=O)C3)CC2)c1 1329867974 QRYJQOYKYBJFTO-QGZVFWFLSA-N 398.467 -0.092 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[C@]2(CCCOC2)O1 1331996220 JGXVICXCYBOXLL-OGWOLHLISA-N 376.457 -0.018 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1C 1335696599 JAABHUZTKDHNDZ-UHFFFAOYSA-N 391.424 -0.140 30 20 GBED N#C[C@@H](C(=O)CCc1ccccc1C(N)=O)C(=O)N1CCS(=O)(=O)CC1 1341817498 GWBHGUMVKCDJHN-AWEZNQCLSA-N 377.422 -0.316 30 20 GBED N#Cc1cccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)n1 1343518983 XFRNLFPMDXJNRG-AWEZNQCLSA-N 391.453 -0.986 30 20 GBED C=CCn1c(CN2CCC[C@H](O)C2)nnc1N1CCN(CCOC)C(=O)C1 1351715638 WMPIRMUDAJTALY-HNNXBMFYSA-N 378.477 -0.284 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCn3c(nnc3C(F)(F)F)C2)CCN1C1CC1 1351933248 UVMZKFCGNLCZPD-NSHDSACASA-N 397.361 -0.162 30 20 GBED C#CCNC(=O)[C@@H](C)N(C)C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573285142 DPVRBLCVPDZDQP-OCCSQVGLSA-N 384.444 -0.131 30 20 GBED C=CCNC(=O)NC(=O)CNC[C@@H]1CCCN(C(=O)CCCc2cnn[nH]2)C1 1575108315 JKWXJQHHTVNYPP-AWEZNQCLSA-N 391.476 -0.033 30 20 GBED N#Cc1ccc(N2C[C@H]3C(CNC(=O)c4c[nH]c(-c5nn[nH]n5)c4)[C@@H]3C2)nn1 1581871570 ZTJSFKJPGGBUDI-STQMWFEESA-N 376.384 -0.031 30 20 GBED Cn1c(=O)[nH]c(NC2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c(C#N)c1=O 1592545610 GUXZYJYQQSRQHP-UHFFFAOYSA-N 394.399 -0.399 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCO[C@H](CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1602724503 GGNDDFLQFVTBSE-QWHCGFSZSA-N 386.416 -0.854 30 20 GBED N#Cc1cn(CCNC(=O)NC2CCN(C[C@H]3CCOC3)CC2)c(=O)nc1O 1679096264 NDMFHECDVCILIL-CYBMUJFWSA-N 390.444 -0.379 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780419926 YQNDFZYCUSZOBC-MRXNPFEDSA-N 376.325 -0.546 30 20 GBED Cc1ccn(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)n1 1782011370 YLYJJVBQZQIKCE-DNVCBOLYSA-N 388.424 -0.207 30 20 GBED NC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786563298 LHUDVUDQPMEGRS-ULQDDVLXSA-N 384.436 -0.314 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=COCC1)C2 1792491185 ALQOQQIMHJWQJZ-YSWFFHECSA-N 375.425 -0.261 30 20 GBED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2)C(F)(F)F 1800548499 IUWDYUNCHXJXEJ-NOHGZBONSA-N 375.347 -0.027 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC13CCCN1CCC3)C2 1800778713 NICFNKBAKCCRGZ-CCWDJLKJSA-N 389.452 -0.318 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1802476788 MTQVQTZWIYURNC-SWFLQVRRSA-N 388.424 -0.744 30 20 GBED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cc(C)c(O)nc1=O)CC2 1825029387 OKYVKKRAQUSFSL-JTQLQIEISA-N 387.421 -0.041 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C)C2)C1 1829771529 UMTMTRASCYOVRW-LUXNNOGYSA-N 377.441 -0.123 30 20 GBED CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)COC1 1830033318 KTJYFGVVPZQNCB-IBGZPJMESA-N 388.424 -0.007 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1830055923 IDHZTSOHUFLCAG-GOSISDBHSA-N 375.429 -0.042 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1831391310 MXZXKRBXUFWWEW-DNVCBOLYSA-N 390.440 -0.472 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1831421185 GJUQLWDZPZHEBK-VCBZYWHSSA-N 395.456 -0.688 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1831424001 AWPZUCISDBZHCT-KBXCAEBGSA-N 393.444 -0.226 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1831434198 SQIHYGXCKTZASE-KDOFPFPSSA-N 383.445 -0.830 30 20 GBED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)n(C)n1 1833449570 XUDQCKUIMOARHU-PXAZEXFGSA-N 398.485 -0.183 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1835302326 ZKGVEVOOUPLXGI-ACJLOTCBSA-N 378.429 -0.729 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)C=C)CCO2 1837703099 VRNZDAFXBZSIQF-JXFKEZNVSA-N 391.468 -0.063 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1840172199 YPNHJOLWZVWQDU-SFHVURJKSA-N 378.429 -0.373 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(CCC(=O)N(C)CCC#N)CC2)cn1C 271630877 YMLUSQKTSBSNHB-UHFFFAOYSA-N 382.490 -0.203 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cn2)C1=O 281158813 LMRYNGNFSDBWFR-UHFFFAOYSA-N 395.397 -0.753 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N(C)CCCN(C)CCN(C)C)C1=O 297652496 BFEAIDOAIPDKAD-INIZCTEOSA-N 381.521 -0.426 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(/C(O)=N/[C@@H]3CCC[C@@H]3C#N)CC2)CC1 329683145 XPUCVNYLTHSMSE-HUUCEWRRSA-N 384.506 -0.298 30 20 GBED Cc1nc2n(n1)C[C@@H](/N=C(/O)Nc1cnn(CC(=O)N3CCOCC3)c1)CC2 330000943 XIKMUMIPCFUAHY-ZDUSSCGKSA-N 388.432 -0.017 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)N[C@@H](C)C#N)CC[S@](=O)C1 349609098 NYMWESACVZNTOQ-MZFXBISCSA-N 399.560 -0.372 30 20 GBED C[C@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)Nc1nc2ccccn2n1 349620897 STBPEPNHPAGLIP-LLVKDONJSA-N 386.459 0.083 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](c2nn[nH]n2)C1 366295208 JHBROSQUDZOTKH-GWCFXTLKSA-N 391.413 -0.662 30 20 GBED C=CCN(CC(=O)OCC)CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 371468329 GYOZJRRATHCUOE-HNNXBMFYSA-N 387.502 -0.631 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC[C@H](C(C)C)N1CCN(C)CC1 410134435 MQHXPHGLNPTIAO-MRXNPFEDSA-N 375.539 -0.045 30 20 GBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 425875305 SSMFALQOCCKSFO-HOTGVXAUSA-N 388.472 -0.578 30 20 GBED CN(CCC#N)S(=O)(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 515761915 FPHHVFTYZIPALW-UHFFFAOYSA-N 379.442 -0.562 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1=O 520445908 UJFFRMXWFRSPMM-RDBSUJKOSA-N 383.470 -0.733 30 20 GBED C[C@@H]1C[C@@H](O)CN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 530519029 AWCFGIIYCRZUDZ-GDBMZVCRSA-N 392.481 -0.154 30 20 GBED N#Cc1cccc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 556038330 MDBGAQZWTOBXNR-UHFFFAOYSA-N 383.452 -0.059 30 20 GBED C=CCN1CCC(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 557412467 QGHBUYCEMNTAIT-KRWDZBQOSA-N 393.532 -0.188 30 20 GBED COC[C@@H](CCO)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 575002608 RGCRCTWVVJBFBH-LLVKDONJSA-N 377.444 -0.836 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCO[C@H](C(=O)O)C1 591569426 POPOFWXAJGGDNK-HNNXBMFYSA-N 375.381 -0.155 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2O)cc1 594625171 ZRQBZILGOHARNW-HUUCEWRRSA-N 398.466 -0.084 30 20 GBED CN1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(CCC#N)CC3)C2)CC1 602244476 PDMAFHJGVDLJEB-MRXNPFEDSA-N 376.505 -0.671 30 20 GBED Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cn1C 726640965 DDWIHIZHTHZDMF-INIZCTEOSA-N 399.473 -0.005 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)c1=O 736288894 MBBOICAVWYUAGT-OLZOCXBDSA-N 384.458 -0.991 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 761032189 GFVCLSHUSNJYRN-LSDHHAIUSA-N 399.517 -0.524 30 20 GBED COCCNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NC2(C#N)CCC2)c1 784231953 LNOFSRUXUINENP-UHFFFAOYSA-N 384.414 -0.341 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 785717850 NQSFBXDGWZGEEP-KBPBESRZSA-N 379.413 -0.017 30 20 GBED C#CCCS(=O)(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 808280634 NXIBJHMJUQTCPK-KBPBESRZSA-N 379.504 -0.689 30 20 GBED COCCn1c(=C(C#N)C#N)sc(=Cc2ccc(-c3nn[nH]n3)s2)c1=O 821694526 QPTDJNRSYDCYBC-UHFFFAOYSA-N 385.434 -0.176 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)COc2nsnc2N2CCOCC2)C1=O 822658303 ZPKLSHVPQVHKMP-LBPRGKRZSA-N 381.458 -0.001 30 20 GBED COC(=O)CN(CC(=O)O)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 831163956 INZBTJPVMSTKKS-SNVBAGLBSA-N 397.409 -0.410 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)CC1 831556834 VVSKJJVCEOIZBZ-GHMZBOCLSA-N 396.391 -0.945 30 20 GBED C#Cc1cncc(C(=O)N2C[C@@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@H](OC)C2)c1 942533742 NVJQXUCXGKTDTG-BNEJOLLZSA-N 386.452 -0.262 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCNC(=O)NC 1109235113 KREQTTYPWAXGGN-AGIUHOORSA-N 380.449 -0.961 30 20 GBED N#C[C@@H](C(=O)c1ccc(N2CCNC2=O)cc1)C(=O)N1CCS(=O)(=O)CC1 1122497313 XNHMGAGAJGCUKO-AWEZNQCLSA-N 390.421 -0.204 30 20 GBED C=C(C)Cn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@@]1(C)CNC(=O)C1 1122631402 QLPAHDMIYSTQOU-GOSISDBHSA-N 376.461 -0.073 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 1322959681 YOCJQMJXOJLDRJ-UHFFFAOYSA-N 375.450 -0.163 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1)[C@H]1CCCO1 1323819828 NRSGOXJALQRDPW-HZPDHXFCSA-N 397.497 -0.300 30 20 GBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1 1325147800 XGUHGXBCTLMJPF-CQSZACIVSA-N 382.438 -0.061 30 20 GBED CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326528610 AXNDHLZHKWIEMJ-CZUORRHYSA-N 386.474 -0.816 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1327037709 BUERNWVPYOCFLT-ACJLOTCBSA-N 383.412 -0.738 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CCO1 1330935212 PVAQCAAHWLQQLF-KRWDZBQOSA-N 399.451 -0.802 30 20 GBED CO[C@@]1(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CCS(=O)(=O)C1 1356277296 KVSMNYPJXCIZRL-WBMJQRKESA-N 379.442 -0.411 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[nH]n2)cn1 1573294750 KQAQVJHQZIEOLT-HUBLWGQQSA-N 388.432 -0.131 30 20 GBED C#CCN(CC)c1nnc([C@H]2COCCN2)n1CCC(=O)N1CCOCC1 1574660951 WILHFSHABQRJRL-OAHLLOKOSA-N 376.461 -0.353 30 20 GBED N#Cc1cnccc1N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 1581883599 PDEWAWOOLZEQAO-SWLSCSKDSA-N 379.384 -0.169 30 20 GBED C#CCN1CCC(NCCS(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 1588352724 UEQOKMBWRASVSC-UHFFFAOYSA-N 375.458 -0.277 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C1 1588404241 GJLVFMYXTYRAQW-OCCSQVGLSA-N 385.432 -0.178 30 20 GBED C=C[C@](C)(O)CC(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[nH]n3)n2)C1 1588500573 ABKUMNBFFUDTGK-DLBZAZTESA-N 388.432 -0.251 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccsc2-c2nn[nH]n2)CC1 1602724897 HSBHEAULONBZPH-UHFFFAOYSA-N 381.443 -0.846 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(C)CN(c2cnc(-c3nn[nH]n3)cn2)CCO1 1602794552 UZIGQEBRSCDTKD-SJORKVTESA-N 388.432 -0.305 30 20 GBED C=CCOCC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1602868169 ITDUQVWBDSCXGH-MRXNPFEDSA-N 375.389 -0.909 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCc2cccc(C(=O)O)c2C1 1602925116 RBPSWQGJBUZOAM-UHFFFAOYSA-N 380.422 -0.014 30 20 GBED N#Cc1cn(CCC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c(=O)nc1O 1618667295 ZTOAPMPFWFYANC-HXUWFJFHSA-N 397.435 -0.036 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1781390283 IROVSMRYCMOHCE-SUNYJGFJSA-N 397.476 -0.790 30 20 GBED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCNC1=N)C2 1782181630 XNXFZYRTNUMANQ-PBFPGSCMSA-N 383.518 -0.341 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@@H]21 1783533143 RPGFFIDRBBIIEF-XHMOGETBSA-N 391.468 -0.139 30 20 GBED CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1784448761 AULQTIQUEHWLSB-IHRRRGAJSA-N 383.470 -0.295 30 20 GBED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)CCC1 1785365476 ZRXCKCGXUORGGT-UGSOOPFHSA-N 377.445 -0.897 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(C)=O)[C@H]2C1 1790847147 VNPJGCLJSNPMIJ-JYJNAYRXSA-N 395.456 -0.388 30 20 GBED CN1CCC(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CC1 1792607913 OXCDBOUUAJJNDH-CCWDJLKJSA-N 377.441 -0.604 30 20 GBED CC1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CC1 1793202601 XCZLWAIQTSGMAF-CCWDJLKJSA-N 377.441 -0.604 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncnc1C 1798195239 RZTPPYZSNDSAKD-KQLJBOCNSA-N 399.451 -0.153 30 20 GBED Cn1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)n1 1830056338 UIVADXUDBSTHBX-LJQANCHMSA-N 389.456 -0.031 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833278882 LBKVVMSYIDDNRE-GUYCJALGSA-N 381.454 -0.292 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1833479407 MAGLAKCBMYUROV-LJQANCHMSA-N 389.408 -0.431 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1834759945 CGHDKDHBCNWJPN-SFHVURJKSA-N 384.396 -0.287 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1834766946 GVVLTWDMZNBMFC-XLIONFOSSA-N 387.436 -0.040 30 20 GBED CC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837561160 CBLHCMZWZSBBFQ-ABQTWSPHSA-N 377.397 -0.256 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncon3)CCO2)C1 1838313896 MYTMBPPOPDGFRZ-CXAGYDPISA-N 380.401 -0.269 30 20 GBED CC(C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733198 SGGCDNFNTIFLDH-QFBILLFUSA-N 390.440 -0.027 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839235433 VCBSZJWOLWTELV-KRWDZBQOSA-N 376.417 -0.716 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1840844553 BPPNLPFEJYRGRN-QAPCUYQASA-N 375.429 -0.291 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CN1CCN(C(C)=O)CC1)C2 1841600742 PVPGAAPFYNNVBC-INIZCTEOSA-N 390.484 -0.608 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C(C)=O)CC2)C1 1843972948 OFHGQOWEIQHZPG-INIZCTEOSA-N 390.484 -0.608 30 20 GBED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1846979864 PQZUFIILSDTACM-HOTGVXAUSA-N 384.436 -0.137 30 20 GBED COC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1C(=O)OC 266662945 PDWZDUYRPLREMB-LLVKDONJSA-N 375.337 -0.051 30 20 GBED CN1CCN(C)[C@H](C/N=C(/O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1 329389795 UPLCJHZRHIMNAA-IAGOWNOFSA-N 381.521 -0.098 30 20 GBED C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1ccc(C#N)cn1 349460147 IEGLAHBSLWABSF-YPMHNXCESA-N 388.471 -0.130 30 20 GBED Cn1[nH]cnc1=NS(=O)(=O)c1ccccc1S(=O)(=O)N1CC(C)(C#N)C1 349482474 SAFGOKUYLTYHCU-UHFFFAOYSA-N 396.454 -0.428 30 20 GBED CN(C)C1CN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@@H]2C#N)C1 349503671 PLUASZNNYPTGIN-LBPRGKRZSA-N 396.560 -0.777 30 20 GBED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)C(=O)[C@H]1C 349513380 XLABMHMVCCGJCQ-CHWSQXEVSA-N 394.519 -0.664 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)N(C)CC#N)C[C@@H](C)N1C 349588414 APLRPGZLECHUGC-OKILXGFUSA-N 380.536 -0.094 30 20 GBED C[C@H]1NC(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)=NN(c2ccccc2)C1=O 371635499 XTCGGZUEXJMXBL-UWENYHRYSA-N 396.407 -0.033 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCc3cn(CCOC)nc32)C1=O 374744453 RRKXUNOMUXNLQY-ZDUSSCGKSA-N 389.412 0.000 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)C1=O 410110549 UQPYJLXVWRPAMB-CYBMUJFWSA-N 383.474 -0.358 30 20 GBED C[C@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 443249407 TURUFPRWXPNLOO-ZUZCIYMTSA-N 384.371 0.462 30 20 GBED CCN1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1=O 460675831 UJSGJIXIAICVII-UHFFFAOYSA-N 381.396 0.077 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)C1=O 590994026 BEYLYDUAARAXIR-KGLIPLIRSA-N 395.456 -0.199 30 20 GBED Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CC[C@@](O)(CC#N)C3)ccc21 592847289 VWUTUJHCBCZZCN-SFHVURJKSA-N 386.412 -0.132 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 613246057 SUPHRYQVLHYPPH-OAHLLOKOSA-N 393.469 -0.035 30 20 GBED C=CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 658496805 IKJXCHBDBJSDMT-AWEZNQCLSA-N 376.457 -0.250 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Cn2nc(-c3ccccc3)oc2=O)CC1 728534992 UVLLLKRHSTXQIO-UHFFFAOYSA-N 383.408 -0.603 30 20 GBED C[C@H]1OC(=O)N[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 788632624 KXCQQESAJLFYOC-RISCZKNCSA-N 378.410 -0.112 30 20 GBED C#CCn1ccc(CN(CC)C(=O)CNS(=O)(=O)c2cn(C)c(C)n2)n1 790117598 AXANQXFEALMIFP-UHFFFAOYSA-N 378.458 -0.115 30 20 GBED C#CCNS(=O)(=O)N1CCN(CCOCCNC(=O)OC(C)(C)C)CC1 809968842 ZTONLLPRRQGBHM-UHFFFAOYSA-N 390.506 -0.387 30 20 GBED C#CCCS(=O)(=O)NC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 810785992 WJEGTHWQLGKUQV-UHFFFAOYSA-N 384.479 0.000 30 20 GBED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 815860967 KGOYTZOFJRVREQ-UHFFFAOYSA-N 385.424 -0.252 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN(CCN2CCOCC2)CC(=O)O)CC1 833466288 CWGGIKKBUBXOEX-KRWDZBQOSA-N 395.504 -0.602 30 20 GBED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C)c2)c1=O 837283758 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387.400 -0.138 30 20 GBED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1319204113 SKJLBQWRXSFECK-MGPWXQLLSA-N 389.456 -0.332 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](O)CN1CCCC1=O 1319299273 MNLFIIQXXMQDRG-OCCSQVGLSA-N 394.453 -0.675 30 20 GBED CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)c1 1326367705 FPNPFYOEGIFTIQ-QGZVFWFLSA-N 395.437 -0.074 30 20 GBED CC(C)(C)N1CCCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1326596837 MTUPTGSODXHWDN-FOCLMDBBSA-N 391.472 -0.038 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ncn(CC(=O)OCC)n2)C1=O 1326680328 UJVNJTZRGHPOAU-NSHDSACASA-N 378.389 -0.975 30 20 GBED C=C(C)Cn1c([C@@H]2SCCNC2=O)nnc1N1CCN2C(=O)NC[C@@H]2C1 1342316308 RGDSKIVFSBEQRA-NEPJUHHUSA-N 377.474 -0.028 30 20 GBED CCN(C(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@@H]1CCNC1=O 1348421625 IUSCPLHLKIQTEO-IAGOWNOFSA-N 383.452 -0.040 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1C[C@H]2CN(C(C)=O)C[C@H]2C1 1355907561 MRHQESXDTSXZCS-OKILXGFUSA-N 399.455 -0.557 30 20 GBED C=C(CCC(=O)O)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1573333208 YESHMYMIQUXGAL-LBPRGKRZSA-N 394.471 -0.932 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C(=O)CCOCc2cnn[nH]2)CC1 1575039443 NZRRFXVKQYHXFB-MRXNPFEDSA-N 392.460 -0.147 30 20 GBED N#C[C@@H]1CN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)CCN1C1CC1 1587317069 IBGLBGSRHLWTDR-CZUORRHYSA-N 387.415 -0.002 30 20 GBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1cc(C)ncc1-c1nn[nH]n1 1588358121 QAUXNRNQOTULBS-KGLIPLIRSA-N 387.444 -0.136 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)N(C)CCN=c1cc[nH]c(-c2nn[nH]n2)n1 1588658458 LGQHQBWYTQWCKU-UHFFFAOYSA-N 388.436 -0.787 30 20 GBED C[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C(=O)O)O1 1593339656 RECIYZHFDMDLEE-GYSYKLTISA-N 381.410 -0.074 30 20 GBED CC(C)C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)C(=O)N1CC[C@@H](N(C)C)C1 1642866476 VROGKSIOEQCPQD-OCCSQVGLSA-N 376.461 -0.066 30 20 GBED CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1768297790 RIBKEYFCVWKZLB-XHDPSFHLSA-N 399.452 -0.390 30 20 GBED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778357270 QZXMFDLRBOTPFS-FQEVSTJZSA-N 390.484 -0.606 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1781269812 OURBEIZNPWSYGB-RDTXWAMCSA-N 381.429 -0.540 30 20 GBED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)N1C[C@@H]2C[C@H]2C1 1783565793 ZFKLIXAGRDXQKP-QZNHQWIBSA-N 375.425 -0.756 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1793347037 VUABYAIKLLZCNQ-SVZOTFJBSA-N 377.441 -0.860 30 20 GBED CNCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598659 SACMPMRWZNEVNL-SCAQPMJSSA-N 379.505 -0.143 30 20 GBED CN[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)NCCC#N)C2)C(=O)O 1796089327 VKKMTMVHUPUMSG-LXTVHRRPSA-N 393.488 -0.031 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1 1797233774 IAOJYZFPGJHFSN-VXIBKDFQSA-N 394.516 -0.586 30 20 GBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC(C)=O)OC(C)=O 1797790857 DOUIVCBYCTWCPK-DFGXFYAUSA-N 394.424 -0.516 30 20 GBED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2 1797814977 FRGQYUBHQJEMQC-RYULSZJPSA-N 393.400 -0.198 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Cn1cncn1 1797894218 GEFUBKDVGCWICQ-VIQHNZTISA-N 389.456 -0.458 30 20 GBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)ON=C(C)C)C2 1800535207 MWQMMVYLDGVIKW-AMSCCUFHSA-N 382.461 -0.099 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn3ccnc3c1)C2 1800777175 JRMSMFOAZHKRHZ-ZSBFGKGUSA-N 382.376 -0.375 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@H]2CCNC(=O)C2)[C@H]1c1cccnc1 1813137342 WWNAGYBNOFAPJJ-ZBQZNYHESA-N 398.419 -0.298 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](CC)NC(N)=O)C3)C2)C1 1829668106 GXTIQCJDVSNLQP-BEFAXECRSA-N 394.472 -0.144 30 20 GBED C[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907590 KZCOFBPEKGIQJT-YWZLYKJASA-N 387.436 -0.062 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1830059477 FKRSOIBZNRJDMK-GOSISDBHSA-N 389.412 -0.610 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1832451826 MPOGLDKBMRNCLT-KRWDZBQOSA-N 385.486 -0.550 30 20 GBED COc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834760171 IIBNZNVLQUQCLZ-KRWDZBQOSA-N 377.401 -0.588 30 20 GBED C[C@@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1835527147 AEDZRGXUONUMJX-WKWJGNFBSA-N 395.504 -0.491 30 20 GBED C[C@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1835528727 IXTIMMIFMKWSFV-ACJLOTCBSA-N 375.429 -0.449 30 20 GBED Cn1ncnc1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1837371870 PIEARBJMJQZWNF-UHFFFAOYSA-N 389.412 -0.485 30 20 GBED C[C@@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837562877 SESSVAOMDBTFGM-NDXPISSFSA-N 392.456 -0.250 30 20 GBED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)n1ccccc1=O 1837684891 XQSXCCSOZVTRLN-HNAYVOBHSA-N 388.424 -0.221 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CC)C2)C1 1839173114 ARNSFYVBQYRNNJ-HNAYVOBHSA-N 398.456 -0.277 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H]4CNC(=O)C4)CCO3)C2)CCC1 1839874162 AERZCBSCPXWFMQ-AUUYWEPGSA-N 390.440 -0.727 30 20 GBED CC/N=C(/NCCN1CCOC[C@@H]1C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 261753241 MBETWQLTSNVLBQ-LIRRHRJNSA-N 394.520 -0.017 30 20 GBED CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CC(=O)NC1=O 268789250 FHZUKFWPJMFDAT-GXFFZTMASA-N 378.410 -0.511 30 20 GBED C#CC[C@@H](NC(=O)CNS(=O)(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1 291093909 QVSFUKDPPKVTIB-LSDHHAIUSA-N 384.479 -0.026 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(/C(O)=N/[C@@H]3CC[C@@H](F)C3)CC2)CC1 329218261 ABHNWQMNZDLQMB-ZIAGYGMSSA-N 377.486 -0.099 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(/C(O)=N/C[C@H]3COCCO3)CC2)cn1C 330073258 KIEHYKYSSYTYNR-ZDUSSCGKSA-N 387.462 -0.636 30 20 GBED C[C@H](C/N=C(/O)N(C)[C@H]1CCN(S(C)(=O)=O)C1)CN1CCN(C)CC1 330200323 WNDGRHZWEFOYAD-CABCVRRESA-N 375.539 -0.250 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C)C(=O)C1 349478481 GWYRUFSWQKZBQN-NSHDSACASA-N 386.455 -0.660 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(O)(C2CC2)C1 349481866 OXLCFYMORBGCQZ-UHFFFAOYSA-N 385.467 -0.024 30 20 GBED CC(=O)N1CCN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)[C@@H](C)C1 349501221 GJRVVMNDAWAUIQ-RYUDHWBXSA-N 380.492 -0.910 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 349552124 JNDOLBSTTYPZOM-KBPBESRZSA-N 395.503 -0.581 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CC[S@@](=O)[C@H](C)[C@H]1C 349610412 JOXZYKSCSPXYTR-UADCYBCPSA-N 399.560 -0.231 30 20 GBED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1CCS[C@@H]2COCC[C@@H]21 349622852 RSTZXRZDKREYMG-QWHCGFSZSA-N 397.544 -0.254 30 20 GBED N#C[C@@H]1N(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CCC[C@]12CCCCO2 365097051 CSCPCTUNXNYZQF-GRDNDAEWSA-N 398.485 -0.073 30 20 GBED COC(=O)CNC(=O)[C@H]1CCCN1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 419366945 ZVDCGWICAUMFCK-HZPDHXFCSA-N 393.488 -0.568 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@@H]3CN)CC2)c1C#N 423719273 COBAKECXAQMHOF-BBRMVZONSA-N 387.488 -0.165 30 20 GBED N#Cc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1 425241690 VNHPZRZYNYVEJM-UHFFFAOYSA-N 381.439 -0.023 30 20 GBED C=CCNC(=O)NC(=O)CN1CCN(CC(=O)NC(=O)NCC=C)C(C)(C)C1 471271903 DYISPOZEPZOEJD-UHFFFAOYSA-N 394.476 -0.594 30 20 GBED CC(=O)N[C@H]1CCCN(C(=O)CN2CCN(c3c(C#N)c(C)nn3C)CC2)C1 472155827 MDQVVGOTDBVCRP-INIZCTEOSA-N 387.488 -0.151 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)Cc1cccc(C#N)c1 498878320 YIBCFWRINMYGMG-OAHLLOKOSA-N 395.437 -0.232 30 20 GBED COc1cc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccn1 550741272 YYUFPLLHFLNQAT-UHFFFAOYSA-N 397.439 -0.031 30 20 GBED COCCN1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1=O 554855470 DDVVAFOXDGBZQK-UHFFFAOYSA-N 380.426 -0.315 30 20 GBED CNS(=O)(=O)c1cc(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)ccc1C 580550058 YCDMIGAZMMWDJR-UHFFFAOYSA-N 391.409 -0.726 30 20 GBED Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CC[C@](O)(CC#N)C3)ccc21 592847288 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C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ncn(C)n1)[C@@H]1CCCO1 848963215 MKTSZYIIGUBWQT-RYUDHWBXSA-N 391.475 -0.953 30 20 GBED C#CCN1CCC(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 969323454 RQWFQJBJGCZHKQ-KNEKCZJMSA-N 387.480 -0.557 30 20 GBED Cc1nc(N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)ccc1C#N 1039621904 AXOATLNGSOCTCL-BARDWOONSA-N 380.412 -0.161 30 20 GBED C=CCCn1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nn1 1058920579 RGESLVCGHHVNJT-FMKPAKJESA-N 377.445 -0.028 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCC(=O)N1CCOCC1 1111359082 KXUHKPKCPQYKLH-OAGGEKHMSA-N 376.457 -0.904 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCNC(=O)[C@H]1CCCO1 1111508975 NWJQSRNTLNUMPI-LVQVYYBASA-N 376.457 -0.857 30 20 GBED N#Cc1cccc(CNC(=O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 1115917850 LJVXYADDTOBFNB-QGZVFWFLSA-N 376.482 -0.021 30 20 GBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1c1cn(C)cn1 1130672350 ODHVARNNJRRBIE-MUQADHOPSA-N 387.484 -0.322 30 20 GBED C[C@H]1CC(=O)N[C@@H](C(=O)NCc2nc([C@H]3CC[C@@H](CNCC#N)O3)n[nH]2)C1 1130783200 PKRSCGOZWBGCEL-YVECIDJPSA-N 375.433 -0.331 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1O 1193075202 APCCKDIYEUDFDF-TUVASFSCSA-N 375.491 -0.980 30 20 GBED CCN(CCC#N)C(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1221811925 PIVSBTLYRMMKLD-LVQVYYBASA-N 391.472 -0.686 30 20 GBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C1 1256967785 SZJHZFHIUGZYPS-SFHVURJKSA-N 389.435 -0.431 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NC2CCN(S(C)(=O)=O)CC2)n1 1323213852 PYGVZUYKAHDBTL-UHFFFAOYSA-N 395.485 -0.595 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NC[C@H]2CCCCS2(=O)=O)n1 1327418783 LNDFUZOJHOUFHR-OAHLLOKOSA-N 380.470 -0.052 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)C1=O 1330002814 NRSSORYIMZLMAS-LSDHHAIUSA-N 392.456 -0.872 30 20 GBED CCO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@H]1OC 1347233443 GUUDTLMFUKVUFT-BFYDXBDKSA-N 387.440 -0.090 30 20 GBED CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNS(=O)(=O)CC 1546533584 WABJMHMMVPKUNQ-AWEZNQCLSA-N 381.506 -0.044 30 20 GBED N#Cc1ncc(N[C@H]2CCCN(CCN3CCOCC3)C2)nc1-c1nn[nH]n1 1571245996 QHLLDZAPIJOSDZ-ZDUSSCGKSA-N 384.448 -0.263 30 20 GBED N#CCNC(=O)CN1CC[C@@H]1CNC(=O)c1ccc(OCc2cnn[nH]2)cc1 1577706683 PDVCGUBLDJOLHM-OAHLLOKOSA-N 383.412 -0.172 30 20 GBED Cc1c(-c2nn[nH]n2)c(=O)n(CCOc2ccc(C#N)cc2)c(=O)n1CCO 1580521860 AQPJYQIWBUTCMZ-UHFFFAOYSA-N 383.368 -0.559 30 20 GBED C#CCNC(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588353553 WNEHLIZRJSBIBD-JHJVBQTASA-N 384.444 -0.037 30 20 GBED N#CCC(=O)N1CCN(CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 1592671408 GDQCONUBCMNNNJ-UHFFFAOYSA-N 389.441 -0.302 30 20 GBED N#CCN(CCC(=O)O)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 1601071686 DJOSFTNFTUKFOF-UHFFFAOYSA-N 394.409 -0.752 30 20 GBED N#Cc1ncn(CCNC(=O)N2CCN(c3cnccc3-c3nn[nH]n3)CC2)n1 1609501116 BTQKFLNXPQEPGG-UHFFFAOYSA-N 394.403 -0.743 30 20 GBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781355644 PUJREUSMBOXWRL-LIRRHRJNSA-N 395.456 -0.275 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3ccncc13)CCO2 1783561705 HFDBWDJCAUHQRD-GOSISDBHSA-N 383.364 -0.739 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21 1784480358 WZQCNDGTNCBAAX-UGUYLWEFSA-N 375.429 -0.704 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](NC)C(=O)O)C[C@@H]21 1784501169 LVIVIKQEYBLHBJ-CWVYHPPDSA-N 397.472 -0.380 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784591183 AGSLDXCLTSOQCV-JJRVBVJISA-N 378.433 -0.345 30 20 GBED NC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788682541 HRVONBZQJVSQDY-DVBNOFGCSA-N 391.428 -0.654 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1ccnn1)C2 1793346172 BVXWWVPEOGJTOI-DGADGQDISA-N 375.429 -0.533 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3[nH]ncc3c1)C2 1800777190 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N#CC1(C(=O)N2CCC(N3CCC(NC(=O)CNC(=N)N)CC3)CC2)CCC1 1834679568 KBQAULXSTRQDQI-UHFFFAOYSA-N 389.504 -0.265 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)CC#N)CC2)CC1 1835644401 RIRCNFFWQBKVKG-KRWDZBQOSA-N 395.460 -0.464 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)Cc1cscn1)CCO2 1836474740 ALQDCUSNPOPWRI-YOEHRIQHSA-N 393.469 -0.617 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1837690523 SPBAPWRBTQUSAI-KUHUBIRLSA-N 392.456 -0.317 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839785301 MVGYUGXNYIIOGS-YJBOKZPZSA-N 398.481 -0.567 30 20 GBED Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)o1 1840509001 UQOOWUCMJHCQBU-IBGZPJMESA-N 390.392 -0.325 30 20 GBED O=C1NC[C@@H](C(=O)N2CCCC23CN(C(=O)C#CC2(O)CCCCC2)C3)O1 1841648910 FVDGJYFZUQCMDK-AWEZNQCLSA-N 375.425 -0.003 30 20 GBED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842624184 RSSIZZRUGSBVBL-LBPRGKRZSA-N 393.444 -0.128 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)n2)C1 1843357214 FDAXNMBSHSDMJT-UHFFFAOYSA-N 388.428 -0.013 30 20 GBED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)CC[C@H](N)C(N)=O)C3)c1 1844725834 OWTIUWPLDOXRRA-INIZCTEOSA-N 399.451 -0.023 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccnc1C(N)=O 1847263095 ZHLHYAARPHZMKO-LUNKNMTDSA-N 397.435 -0.146 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC)cc1 61924499 APZHYMNKURUOAS-UHFFFAOYSA-N 382.442 -0.316 30 20 GBED C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCOCC1 63250022 JGGSHCACXBWXFR-ZDUSSCGKSA-N 394.453 -0.144 30 20 GBED C/N=C(/NCCn1cccn1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 153582568 OXPYFSODQRWCDA-UHFFFAOYSA-N 381.462 -0.406 30 20 GBED C/N=C(/NCc1nnc(C)n1C)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 261959026 JRDXIADVZRLMME-AWEZNQCLSA-N 376.509 -0.173 30 20 GBED CN(C)C(=O)CNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 275636599 RLYAVHVXZGGQIK-UHFFFAOYSA-N 394.435 -0.041 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C3CCOCC3)C[C@H]2C)C1=O 278847591 LNNSHCUJOGSAIM-CYBMUJFWSA-N 378.429 -0.325 30 20 GBED C=CCCOCCNC(=O)C(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(CC)c1 289404475 NRRFQGMIRNCFDU-HNNXBMFYSA-N 398.485 -0.090 30 20 GBED CS(=O)(=O)[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 290635256 GRWQCSRIGBCIMB-AWEZNQCLSA-N 385.467 -0.128 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](N2CC=CC2)C1 349478495 SHOBUOWAADSKCL-CQSZACIVSA-N 376.504 -0.562 30 20 GBED CN(C)C1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc(C#N)ccn2)C1 349504113 QHTJKDXQTZYVQG-UHFFFAOYSA-N 387.487 -0.339 30 20 GBED COc1cncnc1NS(=O)(=O)CCCCS(=O)(=O)N1CC(C#N)C1 349588492 AVBZSTAEOUEFJL-UHFFFAOYSA-N 389.459 -0.208 30 20 GBED COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 359907050 MOCRXAZNIKFCRG-OCCSQVGLSA-N 377.401 -0.889 30 20 GBED N#Cc1cc(F)ccc1CS(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424366746 JKEMMZSLCCEQOR-GFCCVEGCSA-N 376.387 -0.289 30 20 GBED COCc1noc(CN2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)n1 444224604 UHFCPARWQZRADA-UHFFFAOYSA-N 378.414 -0.011 30 20 GBED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1 517331447 KYSLAIMXYOECJK-CQSZACIVSA-N 388.380 -0.792 30 20 GBED CNC(=O)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCO1 542904016 XXFHBXNGCFCQIA-AWEZNQCLSA-N 380.426 -0.534 30 20 GBED COCC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 565229005 NMOFECWGPZPAHE-LLVKDONJSA-N 377.444 -0.836 30 20 GBED CN(C)CCn1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n1 570079301 LOSBWEMUGSXSLZ-UHFFFAOYSA-N 376.442 0.233 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCc2nc[nH]n2)cc1 573862014 BDQZNIKYGUSMLL-NSHDSACASA-N 398.470 -0.142 30 20 GBED CCN(CC(N)=O)S(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)C#N)cc1 580449735 YOYYQVSOEYGVHM-NSHDSACASA-N 388.471 -0.285 30 20 GBED COC(=O)[C@H]1C[C@@H](O)CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 592907531 FBGVCESWCHRZCB-LSDHHAIUSA-N 380.422 -0.145 30 20 GBED C[C@H]1CCCN(C(=O)C(=O)NCC#CCNC(=O)C(=O)N2CCC[C@H](C)C2)C1 683499635 JAFSWSHYRUPBIK-HOTGVXAUSA-N 390.484 -0.261 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(CC[S@@](C)=O)CC2)CC1 774684259 WIESHPZMFZBKRY-WGDIFIGCSA-N 383.562 -0.325 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 784923468 OSQSAOAPPJMXIJ-UHFFFAOYSA-N 383.404 -0.058 30 20 GBED C=CCS(=O)(=O)CCNS(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2 797454272 USTSWRSFIVALLM-UHFFFAOYSA-N 390.439 -0.095 30 20 GBED C=CCN1CC[C@H](OC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1=O 798562445 LBKVMARQXFVPIO-YPMHNXCESA-N 383.426 -0.518 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)nc2)C[C@@H]1O 970712150 WCDWMMPTJGAXMX-OJLVUWQFSA-N 388.424 -0.998 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@@H]3C2)cn1 1022710848 GKCKZROFZIROQR-PQEBFOHHSA-N 382.420 -0.231 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn(CCN(C)C)n2)C[C@H]1O 1025711188 JFNLXCWYCCIFKH-DZUCGIPZSA-N 391.472 -0.663 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)OC 1108997146 ZVBMZXCHRJESRZ-NDBYEHHHSA-N 381.433 -0.536 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC(=O)N(C)C 1109816016 BBXAOSKLJDSDRW-MQYQWHSLSA-N 379.461 -0.414 30 20 GBED CCOC1CC(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)(N2CCOCC2)C1 1117654985 ULIUCPFBTHZKSE-SWKXRBFHSA-N 380.445 -0.877 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(c2ncc(F)cn2)CC1 1321070375 NPVLZLPEIZYJMP-CCEZHUSRSA-N 389.391 -0.026 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3CCN(C)C(=O)[C@H]3C)CC2)c1C#N 1324902960 XRLBWNJJFZEABP-GFCCVEGCSA-N 390.469 -0.339 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N(C)[C@@H]2CCN(C3CCN(C)CC3)C2)nn1 1326251094 ROWJOOOCRKCBDR-QGZVFWFLSA-N 389.504 -0.293 30 20 GBED COCCO[C@H]1C[C@H](CO)CN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 1326561293 MDRNUZQSXKDRHY-GJZGRUSLSA-N 393.444 -0.084 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)CCO1 1327333402 IILCHSBSROLZNJ-OAGGEKHMSA-N 396.403 -0.619 30 20 GBED CCN1C[C@@H](CNC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1=O 1328980409 FCHIIYIOFSWKST-ZIAGYGMSSA-N 399.455 -0.630 30 20 GBED C=CCN(CCOC)c1nnc(-c2cn(C)c(=O)n(C)c2=O)n1CCOC 1341188376 UPAQSPNXDAWEQE-UHFFFAOYSA-N 378.433 -0.372 30 20 GBED C#Cc1ccc(C(=O)N(C)C[C@@H](O)CN=c2cc[nH]c(-c3nn[nH]n3)n2)cc1 1573290587 ZYDHAMCAWXQRGJ-AWEZNQCLSA-N 378.396 -0.395 30 20 GBED C=CCOC[C@H](NC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)C(=O)O 1573368627 IAXLDXLVUDYCKS-RYUDHWBXSA-N 385.417 -0.164 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)Nc1nc(C)ccc1-c1nn[nH]n1 1588351186 ILQYUAIBQLMNON-HIFRSBDPSA-N 384.444 -0.443 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588351934 AOIUJEPRDHAJKH-DOMZBBRYSA-N 384.444 -0.131 30 20 GBED N#CCSCC(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[nH]n2)C[C@H]1O 1592679696 ZNQLHJZVDBMXDO-ZYHUDNBSSA-N 377.405 -0.072 30 20 GBED C[C@@H](C#N)C(=O)N1C[C@@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)[C@H](c2cnn(C)c2)C1 1602981910 MPJSZHXUIXIPLV-WCFLWFBJSA-N 393.415 -0.622 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](C(=O)O)O[C@H](C)C3)CC2)o1 1607944073 VPPBUBSTPFDBKU-RISCZKNCSA-N 377.401 -0.323 30 20 GBED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC)CCOC1 1696089172 LEOTWORQONJXNF-GUYCJALGSA-N 378.433 -0.205 30 20 GBED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1)[C@H]1SC(=N)NC1=O 1786366316 QZHAURIUHIXXAR-DKKFBCOVSA-N 393.469 -0.318 30 20 GBED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2 1793256815 QCQFQLKUUYQSHQ-XEMDLRDOSA-N 375.469 -0.288 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1793820005 JGSROEYKZVJCSX-ZWUHOBOKSA-N 384.502 -0.912 30 20 GBED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)CN)c1 1796342800 ZYKRFEXJYQUXCT-VZAMPYOESA-N 375.404 -0.813 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1ccnn1)C2 1797712743 VITSNDPGMXRIHL-IVSAIRAKSA-N 391.472 -0.169 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806638660 CADMFNQSUWYYPJ-SUNYJGFJSA-N 384.392 -0.546 30 20 GBED COC(OC)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812872609 GGGKOAQENFMIMN-CJNGLKHVSA-N 375.381 -0.206 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2 1831733120 ZTBDQFLKGMHFCJ-QGZVFWFLSA-N 375.385 -0.444 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ncn(C)n4)CCO3)C2)C1 1833875219 DGBHDNXINKZQLO-SFHVURJKSA-N 375.429 -0.149 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835258243 MVHUSEWBGIUJNK-YOEHRIQHSA-N 388.486 -0.300 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1835564683 PGUYMQCTHHXGDQ-DOXZYTNZSA-N 396.488 -0.752 30 20 GBED CCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835672746 LAUDIMRAVSYSCI-LJQANCHMSA-N 396.488 -0.239 30 20 GBED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cc(O)no3)CC2)CC1 1835977380 NUCCMLLPLCIVHH-UHFFFAOYSA-N 390.396 -0.347 30 20 GBED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1838952599 BEIFSSJOMBCYAM-HXUWFJFHSA-N 397.387 -0.284 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839381397 QXEYQLQLTHBFKO-FQEVSTJZSA-N 395.419 -0.030 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1840480555 WLNSBUMVTPWPCU-YJBOKZPZSA-N 390.444 -0.506 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCNC(=O)C2)C1 1846422061 XKSJWWDIQFBVRT-AWEZNQCLSA-N 375.473 -0.002 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)c1 22281685 CEYFHXVRMANAFE-UHFFFAOYSA-N 392.437 -0.035 30 20 GBED Cn1c(=O)c2[nH]c(CN3CCN(c4cc(C#N)ccn4)CC3)nc2n(C)c1=O 25941476 RWBDXKGBRNONSC-UHFFFAOYSA-N 380.412 -0.451 30 20 GBED CCN1CCC[C@H]1CN/C(N)=N/CCC(=O)N1CCN(c2ncccn2)CC1 264273758 MDFUBGGIWVDKEU-INIZCTEOSA-N 388.520 -0.096 30 20 GBED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 275469910 DZQNPVOAPXBHHA-CQDKDKBSSA-N 395.437 -0.250 30 20 GBED C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 331517199 NBTXBZZPYVLLJI-CABCVRRESA-N 380.445 -0.567 30 20 GBED Cn1cnc(NS(=O)(=O)c2ccccc2S(=O)(=O)N2CC(C#N)C2)n1 349481839 OTWBEORPAOFUSF-UHFFFAOYSA-N 382.427 -0.240 30 20 GBED CC(C)n1[nH]cnc1=NS(=O)(=O)CCCCS(=O)(=O)N1CC(C#N)C1 349588786 BPYWMCWRZWBHEA-UHFFFAOYSA-N 390.491 -0.412 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C 437507200 KVEIXIPHTMWOSG-XJKSGUPXSA-N 375.491 -0.082 30 20 GBED N#Cc1cnn(-c2ccc(C(=O)NCCN3CCS(=O)(=O)CC3)cc2)c1N 524493194 XLLRSFUNEHSOJY-UHFFFAOYSA-N 388.453 -0.214 30 20 GBED Cc1nc(S(=O)(=O)NCC(=O)NCC(=O)c2ccc(C#N)cc2)cn1C 557111121 SWIJSXJMRXRSFF-UHFFFAOYSA-N 375.410 -0.122 30 20 GBED CCCN1C[C@@H](C(=O)NCC#CCNC(=O)[C@@H]2CC(=O)N(CCC)C2)CC1=O 665419355 OOOBZQPEVPLQJU-IYBDPMFKSA-N 390.484 -0.261 30 20 GBED N#CCNC(=O)COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 731236144 ROFUDCHMPMIUIJ-UHFFFAOYSA-N 385.373 -0.357 30 20 GBED C#CCN1CCN(C(=O)CN2CCC(CNC(=O)c3cnn(C)c3)CC2)CC1 748818474 XZEFVHRLFHUJTQ-UHFFFAOYSA-N 386.500 -0.361 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(C(=O)OC)cc2)CC1 761030035 DMBBGMKEIXCVSK-UHFFFAOYSA-N 394.453 -0.503 30 20 GBED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NC1CC1 769154036 XKRZXLIPZWNTMO-UHFFFAOYSA-N 380.382 -0.632 30 20 GBED COCCOC[C@@H]1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 787790424 MMTDVHVWMXXYNM-CQSZACIVSA-N 375.429 -0.007 30 20 GBED C[C@@H]1CN(CCC(=O)O)CCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 833626304 PPPWIYJDOGFOOW-KXEGMRRWSA-N 379.417 -0.297 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2ncnc(F)c2Br)CC1 872631875 LPPXURKZVGPBTD-UHFFFAOYSA-N 378.227 -0.032 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1OCC 982885705 PYZKJVIEOCSIIH-APIJFGDWSA-N 377.445 -0.001 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 1012561208 AGHHIXVUGQKJIB-FXUDXRNXSA-N 379.457 -0.116 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@@H]2O)O1 1083776191 GOGBYEVQZKEPDA-XDNAFOTISA-N 386.452 -0.145 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 1117544883 QTRZIULWBNRHBG-NSHDSACASA-N 375.472 -0.198 30 20 GBED C=C(C)Cn1c(CCO)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1122430247 QLNRENLLXSWFLI-UHFFFAOYSA-N 378.477 -0.630 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCCS(=O)(=O)c2ccccc2)C1 1261466610 PMIIETRGFCHNAS-QGZVFWFLSA-N 379.438 -0.156 30 20 GBED CS(=O)(=O)NCCn1c(CC2CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316361985 NMXUTSLQZOGSIT-HNNXBMFYSA-N 393.517 -0.044 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCCCN2C(=O)CNC2=O)CC1 1324448150 ONKKEVJSXXGKEM-UHFFFAOYSA-N 398.423 -0.735 30 20 GBED CC(C)[C@H](C#N)N1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1325168606 PQRXMOGTTIWDBF-KGLIPLIRSA-N 385.490 -0.835 30 20 GBED CO[C@]1(C)C[C@H](NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1(C)C 1328818544 YBFUAKHSAUUAPG-VUCHNNAUSA-N 378.429 -0.051 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(OC[C@@H]2CCCO2)CC1 1332475473 DOLUQUKSGHUNPA-HNNXBMFYSA-N 388.486 -0.110 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccncc2)C[C@H]1C 1338715952 CUYFRECYBBYZAR-CQSZACIVSA-N 380.470 -0.164 30 20 GBED N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCOC2=O)CCO1 1505322392 MXZCLRUMBTTZPV-STQMWFEESA-N 389.416 -0.200 30 20 GBED C[C@H](C#N)C(=O)N1CC[C@H](N2CCN(c3cncc(-c4nn[nH]n4)n3)CC2)C1 1573565761 VMXWTIANBPMIIY-OLZOCXBDSA-N 382.432 -0.461 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)c2cncc(-c3cnn[nH]3)c2)cn1 1575023197 ZEVSZYOHMZRLIM-MRXNPFEDSA-N 391.391 -0.236 30 20 GBED C=CCn1cc(C(=O)N2CCC(N(Cc3cnn[nH]3)C(=O)COC)CC2)nn1 1575112634 WCPHHQPACSTJQD-UHFFFAOYSA-N 388.432 -0.138 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2O)nc1 1588370131 ORZLJFYIQKBPDT-CABCVRRESA-N 392.379 -0.814 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCCO1 1588503574 AKLGMCUUGULIGZ-PXAZEXFGSA-N 388.432 -0.305 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](Cc1ccncc1)C(=O)O 1594697035 NMKGDIIOTJLXKH-CYBMUJFWSA-N 388.405 -0.068 30 20 GBED CCN1C(=O)[C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C(=O)O)CCN2C1=O 1596389264 DGLIEUXJPLRLAH-GFCCVEGCSA-N 392.393 -0.087 30 20 GBED C[C@](CO)(NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C(=O)O 1604196475 RAWMBVLRSHTUCG-MAUKXSAKSA-N 378.404 -0.040 30 20 GBED C#CCNC(=O)CC(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)[C@@H]2C1 1756968139 CNCOXKVRNKBGDB-XHWCBRGXSA-N 389.452 -0.763 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)CC(N)=O)CCO2 1781264420 ZMOSNDILIRLHAT-DJJJIMSYSA-N 395.456 -0.163 30 20 GBED CCNC(=S)NCC(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1782640476 RVHOUBADPRNWRI-GOSISDBHSA-N 378.498 -0.286 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1783557138 HOMVIAMMWWGHAR-KRWDZBQOSA-N 392.343 -0.686 30 20 GBED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1783930539 YPJLVEVTHRQIET-OALUTQOASA-N 378.425 -0.155 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C[C@@H]21 1784484941 GSDGNVJEJMQAEL-UBDQQSCGSA-N 387.436 -0.048 30 20 GBED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN)CCO2)C1 1785574783 RRHVVNFHXZEXER-AUUYWEPGSA-N 394.472 -0.308 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787092835 YSBZEGVSMJOTFK-AJNGGQMLSA-N 392.460 -0.774 30 20 GBED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1793349368 MYXNXPVPMMFEAH-KRXQYRFLSA-N 396.488 -0.848 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 1795388865 JEYXESZYSVTZAG-HLPPOEQASA-N 391.472 -0.864 30 20 GBED CS(=O)(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798695116 OPEOGXWHKLXOAG-YWVIFJGQSA-N 394.453 -0.476 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(C)=O)C2 1799306973 UTCXCDDAAWXKBP-JLVBRIDZSA-N 395.456 -0.388 30 20 GBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)CCNCC2 1800243759 AOTJWORHXXHHJS-HGKCTWBKSA-N 383.452 -0.113 30 20 GBED C/C(=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2)C(=O)O 1802015234 MSBGBEGAZHWQDF-AXBXEBQCSA-N 392.456 -0.111 30 20 GBED C#CCCC(=O)N[C@@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825331745 RDHFYSAGPXZMHV-CYBMUJFWSA-N 394.497 -0.245 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]cnc3C)C2)C1 1831392069 INGXQJGCUXNYLA-HNAYVOBHSA-N 390.440 -0.174 30 20 GBED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1833490394 PARAMJYSCRLFQW-JKSUJKDBSA-N 385.578 -0.202 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccns1)CCO2 1833779344 SCUNZTMOSDDPIU-MRXNPFEDSA-N 379.394 -0.699 30 20 GBED Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)cccc1=O 1833870073 JTYFFPKMZIRMDZ-LJQANCHMSA-N 388.424 -0.241 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cncnc4)C3)C2)CC1 1835340796 GPTDBXBVWMOTHK-LJQANCHMSA-N 385.424 -0.221 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)C=C)CCO2 1837704626 YNPABARUUIVVPE-BEFAXECRSA-N 377.441 -0.453 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1840165875 MMPAUKIDQNKMPQ-BBRMVZONSA-N 383.474 -0.557 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CCN1CCOCC1)C2 1841054386 SIEHMKKSQJYTEA-PLNGDYQASA-N 390.484 -0.230 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2 1844158341 MVONTTJFVLOJHY-VTNJTDAWSA-N 392.412 -0.034 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nccnc1C(N)=O 1847264073 XAQYYOXMDFFWPB-LDIIPZEWSA-N 398.423 -0.751 30 20 GBED CCN(C(=O)Cn1cc(C(=O)OC)cc(C#N)c1=O)[C@H]1CCS(=O)(=O)C1 25963568 AZVWWOZJIWHQBC-ZDUSSCGKSA-N 381.410 -0.458 30 20 GBED N#C[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)N2CCO[C@@H](C#N)C2)CCO1 266295781 BRXJKMZWFLCIAH-AOOOYVTPSA-N 378.282 -0.241 30 20 GBED Cn1c(N)c(C(=O)CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c(=O)n(C)c1=O 292383009 ZGAFATCDHPLCAS-LBPRGKRZSA-N 384.396 -0.731 30 20 GBED N#Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1F 292915685 HPEWANYYHIUKIR-LLVKDONJSA-N 389.430 -0.331 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H]2[C@@H](C1)OCCN2C 329707395 KMBJCCVZORKLEL-VBNZEHGJSA-N 378.454 -0.234 30 20 GBED COCCN1CC[C@H](/N=C(/O)N2CCS(=O)(=O)C[C@@H]2c2cnn(C)c2)C1 329916205 DNUZZDWZLCWRGK-LSDHHAIUSA-N 385.490 -0.174 30 20 GBED CC#CCN(C)S(=O)(=O)CCCCS(=O)(=O)Nc1ccc(O)nn1 349605588 HBTCWQGTISHKBA-UHFFFAOYSA-N 376.460 -0.011 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCCO[C@H](CN)C3)C2=O)cc1 418912127 RBFIEZVCXSWGCQ-IAGOWNOFSA-N 399.451 -0.254 30 20 GBED CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 427697819 WFCLPXXULNQTNJ-WDEREUQCSA-N 392.416 -0.153 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO 443814034 GITWEBGDXDEQIQ-STQMWFEESA-N 386.412 -0.024 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@@H](O)CN1CCOCC1 462089272 HMXOHNSKFNKASQ-OAHLLOKOSA-N 385.428 0.262 30 20 GBED Cc1ccc(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1S(=O)(=O)NCC#N 470812651 RZJZPUBPBFHWKY-STQMWFEESA-N 380.426 -0.440 30 20 GBED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3c(C)cnn3C)c2=O)cn1 552006820 NQNJWEZWIFROMC-UHFFFAOYSA-N 397.464 -0.594 30 20 GBED COC(=O)CCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 582676396 GZERVSJBTLRKKE-UHFFFAOYSA-N 375.428 -0.328 30 20 GBED C#C[C@H](NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCCO1 776127895 GNBWAVJDSKGZCX-HOTGVXAUSA-N 386.456 -0.005 30 20 GBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 785657829 NZHAQNUWJWOTMJ-JKSUJKDBSA-N 394.472 -0.282 30 20 GBED C#CCC[C@H](O)CNc1ccc(S(=O)(=O)N(C)C)cc1S(N)(=O)=O 804686160 GXFDFTWIBXRHSP-NSHDSACASA-N 375.472 -0.230 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)OC[C@@H]2C1 848958881 KMVFPJCFAHTXKY-RYUDHWBXSA-N 394.475 -0.936 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C)nn1 959644715 CSSMOVOGSUEQCP-RJZRQDKASA-N 390.444 -0.536 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CS(C)(=O)=O 960104635 RCLZMJBKFXVQCA-AYDFFVQHSA-N 386.470 -0.550 30 20 GBED CN1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(C#N)cn2)S1(=O)=O 1055462140 VSYUSMAZPFHTJI-YIYPIFLZSA-N 376.442 -0.392 30 20 GBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1nc(C)n(C)c1=O 1111338660 UXCXRYFGHKGLKI-NGFQHRJXSA-N 376.461 -0.698 30 20 GBED CNS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 1117352694 YSBHELFFQSMGFG-CABCVRRESA-N 378.454 -0.050 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1323470796 VCHLTHYDCFUXFW-ZDUSSCGKSA-N 398.460 -0.501 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCCS(=O)(=O)C2CC2)CC1 1325685212 MFICOWZXRNIZHH-UHFFFAOYSA-N 390.465 -0.100 30 20 GBED C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)CC1 1327167930 OSTGSJYXWJYFPA-AUUYWEPGSA-N 389.456 -0.122 30 20 GBED C=C(C)Cn1c([C@@H]2[C@@H]3CCCO[C@@H]32)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1342262140 ATKOYHAYIMPFLJ-XQLPTFJDSA-N 386.456 -0.106 30 20 GBED N#C[C@H](C(=O)CNC(=O)Nc1ccccc1)C(=O)N1CCS(=O)(=O)CC1 1342561565 UDEKGGRZDJGJHY-CYBMUJFWSA-N 378.410 -0.226 30 20 GBED C[C@@H](C#N)C(=O)NC[C@H]1CCC2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)O1 1573577782 SPFIFTFGEWCDRW-CMPLNLGQSA-N 384.400 -0.156 30 20 GBED C=CCNC(=O)Cn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@H]1C[C@@H](N)C1 1574936914 PQVBTXXTWXIHHD-IYOUNJFTSA-N 376.461 -0.219 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2COCCN2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1574937313 VZHASLKRCFEOTK-OAGGEKHMSA-N 389.504 -0.086 30 20 GBED C#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)c2cncc(-c3cnn[nH]3)c2)cn1 1575023196 ZEVSZYOHMZRLIM-INIZCTEOSA-N 391.391 -0.236 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](NCC(=O)NCc1cnn[nH]1)C1CC1 1575053910 NMBAYQQOYOUFGY-UXLLHSPISA-N 376.461 -0.114 30 20 GBED N#Cc1ncc(N2CCC(NC(=O)N3CCOCC3)CC2)nc1-c1nn[nH]n1 1581882406 XFICPNVYJVMMEA-UHFFFAOYSA-N 384.404 -0.461 30 20 GBED C#CCNC(=O)CN1C[C@@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C1 1588354545 PIUXPFLVYAJSAZ-SWLSCSKDSA-N 382.428 -0.519 30 20 GBED C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CC[C@]2(CCOC2)C1 1588708570 IRCJRSRJRXNAFH-INIZCTEOSA-N 383.420 -0.099 30 20 GBED CN(C)c1c(C=NNCc2ccc(-c3nn[nH]n3)cc2)c(=O)n(C)c(=O)n1C 1591025817 YZBNWWMDYWIEHH-UHFFFAOYSA-N 383.416 -0.546 30 20 GBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cn1 1602737187 MXXCWIWTRYMCHK-CABCVRRESA-N 392.379 -0.814 30 20 GBED CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N1CCOCC1 1729078747 NLQWUVYLYBZDGZ-AWEZNQCLSA-N 378.433 -0.208 30 20 GBED C=CCN(CC=C)S(=O)(=O)N1CCO[C@@H](CN(CC(=O)O)C(C)=O)C1 1776177424 VTJUQJAVPMAIFU-AWEZNQCLSA-N 375.447 -0.461 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)CSC(=N)N)CCO3)C2)c1 1780333201 UGYHPCCXLKJHBD-INIZCTEOSA-N 376.442 -0.043 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)n[nH]3)C[C@@H]21 1784479792 IMAUQOCIXKEUTK-OSFYFWSMSA-N 376.413 -0.253 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CC(N)=O)[C@H]2C1 1784593425 QRJQFIPRKPMQOO-OWYFMNJBSA-N 379.457 -0.484 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1793347632 GWTRQKOPFMFODF-RBGFHDKUSA-N 398.481 -0.809 30 20 GBED CC(=O)OC[C@H](OC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795420306 GGMMSNPMQUIODN-IVSAIRAKSA-N 395.412 -0.625 30 20 GBED Cn1ncnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797836333 OTXDLJWXFFIGFG-NURKDDNYSA-N 386.412 -0.270 30 20 GBED C[C@H](C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1)n1cnnn1 1812882336 LJBAUNBDAFICLF-HACGYAERSA-N 397.395 -0.577 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1813040082 RGZFADFPQSKKBS-ATVPRXPUSA-N 393.513 -0.002 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)ncn1)CC2 1825661256 MCZMLZGBNRMHIH-MRVPVSSYSA-N 387.377 -0.048 30 20 GBED CC(=O)NCCC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825671691 MQDIQCBHMYFWLD-SNVBAGLBSA-N 378.410 -0.331 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1835353949 GXPPFTFXHLPGCO-SFHVURJKSA-N 390.396 -0.541 30 20 GBED C[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565063 KVDXLAYBMWBYFB-SENNIOROSA-N 379.413 -0.464 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1839845898 BUMYREMQAKBJLR-KHYOSLBOSA-N 379.457 -0.209 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCC(=O)N2CCOCC2)cc1 45078229 HXOPKNSZZPDJBR-UHFFFAOYSA-N 379.438 -0.162 30 20 GBED C/N=C(/NCCN1CCSCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 261681158 DBSPHPUNVSXILS-QGZVFWFLSA-N 382.534 -0.079 30 20 GBED Cc1nnc(CN/C(=N/C2CC2)N2CCN(CC(=O)N3CCCC3)CC2)n1C 261956661 IXYRZVPKGFIYOR-UHFFFAOYSA-N 388.520 -0.028 30 20 GBED N#CCN1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 266654814 FZWXPVVTWSTVTC-UHFFFAOYSA-N 398.510 -0.021 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)NCCC(=O)NS(C)(=O)=O)c1 277771277 WDAYOJNTLFGBEN-UHFFFAOYSA-N 389.455 -0.653 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CC[S@](=O)C[C@H]1c1cnn(C)c1 282247444 IUTZCKMYODILGT-BSEYFRJRSA-N 389.503 -0.368 30 20 GBED Cc1n[nH]c(C)c1NS(=O)(=O)CCCS(=O)(=O)N1CC(O)(CC#N)C1 349450475 AJOCWCIMNZBVEE-UHFFFAOYSA-N 391.475 -0.551 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N(C)CC(C)(C)O)c1C#N 349494508 CVBUKAHANOOPAN-UHFFFAOYSA-N 393.491 -0.246 30 20 GBED CN([C@@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 349520716 KPCQSKOFNCMDBI-OLZOCXBDSA-N 397.544 -0.302 30 20 GBED N#CCNC(=O)CNC(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 377030577 ICUSKQDRJBDMQT-MRXNPFEDSA-N 384.440 -0.241 30 20 GBED CC(=O)NCCNC(=O)CCC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472270942 CSXMEHYHDLUQHI-UHFFFAOYSA-N 389.460 -0.719 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1C(=O)CCCC1=O 482385906 MLVDHEFLSVYQQO-LBPRGKRZSA-N 392.437 -0.120 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)c3cn(CCO)c(=O)nc3O)C2=O)cc1 509724265 KXTFBBCJDNHGTE-HNNXBMFYSA-N 397.391 -0.262 30 20 GBED CN(CCNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)CC(F)(F)F 561002410 BHERBNXKMUCSOC-UHFFFAOYSA-N 389.382 -0.135 30 20 GBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H](O)COc1ccccc1C#N 599313884 PXAIHRUEUGVQTG-HUUCEWRRSA-N 381.454 -0.467 30 20 GBED CO[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)N2CCSC[C@@H]2C#N)C1 600766556 LWUHIEAEHKCVRT-AVGNSLFASA-N 397.544 -0.256 30 20 GBED CN(C)S(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 608889989 MGUOQLSYTDCDHQ-UHFFFAOYSA-N 379.442 -0.761 30 20 GBED C=C[C@H](CO)NCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 662168154 VBTCDHUIJCREAD-MRXNPFEDSA-N 395.481 -0.141 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 728535620 AYNMFVGSRZIXRS-HRCADAONSA-N 388.468 -0.556 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(C(=O)OC)c2C)CC1 731217131 VRTSLPFSNRNSOD-UHFFFAOYSA-N 393.465 -0.163 30 20 GBED N#C[C@@H](C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C(=O)N1CCS(=O)(=O)CC1 732909077 XSFCYGPKKDHZNJ-JSGCOSHPSA-N 393.421 -0.406 30 20 GBED C#CCCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 763033369 QNXACKQBWTZBPR-CQSZACIVSA-N 392.481 -0.380 30 20 GBED N#C[C@H]1CNC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 843461866 XQTXEXFTMGEPSH-JOYOIKCWSA-N 387.259 -0.045 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(N2CC[C@@H](O)C2)CC1 856254041 ITVKYRHBWFVFMM-CQSZACIVSA-N 392.481 -0.217 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(-c2nnnn2C)cc1 861799191 VNEXMJYPHDXWEF-UHFFFAOYSA-N 378.414 -0.467 30 20 GBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@H]2CCS(=O)(=O)N2)c1 996627526 PVEOBWKVKKAMGI-NMKXLXIOSA-N 377.426 -0.560 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn(CCOC)n2)C[C@H]1O 1023958413 MTGBSADPPWFEBG-DZUCGIPZSA-N 392.456 -0.188 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ncnn1CC(F)F 1110461999 SDYHDKRGKULVNT-UPJWGTAASA-N 380.399 -0.096 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(CC(=O)NC)no1 1110552342 VJGGACJRKJASOW-DGAVXFQQSA-N 375.429 -0.382 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)C1=O 1116992993 AIEAKDZKTKKEOI-HNNXBMFYSA-N 376.457 -0.251 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 1118676875 SOVOIUSHPLKSCV-DZGCQCFKSA-N 380.422 -0.757 30 20 GBED C=CCn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@](C)(O)COC 1121576103 GBXOADXLTXDNNG-GOSISDBHSA-N 380.493 -0.035 30 20 GBED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1315043731 UAVXOHRSUXVLJH-OAHLLOKOSA-N 397.439 -0.096 30 20 GBED Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@H](C#N)C3)CC2)cn1C 1318326278 GLYHDBYICCCUMO-CQSZACIVSA-N 381.458 -0.120 30 20 GBED C[C@H]1[C@@H](C)N(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)CC[S@@]1=O 1328497061 NVTOLILRMIKDJS-VXKZXEGRSA-N 389.481 -0.030 30 20 GBED N#CCCN1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 1331110581 NSJULCUAJQNMNI-SJORKVTESA-N 398.529 -0.288 30 20 GBED C#CC1CCN(C(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 1332194167 KVNQIKRMGYRTJB-UHFFFAOYSA-N 396.447 -0.253 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 1345856749 BDLQZPKPOZNWQL-ORAYPTAESA-N 385.424 -0.643 30 20 GBED C=CCn1c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nnc1[C@@]1(O)CCOC1 1352140834 OSOBWOLULHVIPM-AUUYWEPGSA-N 390.488 -0.139 30 20 GBED C=CCCOCC(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573337442 XQNVACCQPNEEDY-QGZVFWFLSA-N 389.416 -0.519 30 20 GBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O 1588610519 GDAKUAMRJHUOQC-ZLKJLUDKSA-N 389.416 -0.523 30 20 GBED C[C@@H](NCC(=O)NCC#N)C1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1589957876 GDFNPZUYLXHNTC-LLVKDONJSA-N 385.432 -0.335 30 20 GBED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)C(=O)O 1591184622 WDCHURJSOLHVER-NEPJUHHUSA-N 383.426 -0.299 30 20 GBED COCCN(CC#N)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1591422055 SOFIOWZMJGVPMW-LLVKDONJSA-N 393.429 -0.468 30 20 GBED CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(=O)O)C1 1599756408 YGLZDSJCMLZRNJ-LLVKDONJSA-N 387.439 -0.041 30 20 GBED C=CCCn1cc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C2)nn1 1602846207 GVKJTDKRZZSJGH-NSHDSACASA-N 381.404 -0.167 30 20 GBED C=CC[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1783116876 QQVYRZDDOYNMRE-KUHUBIRLSA-N 375.425 -0.047 30 20 GBED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)N1C[C@H]2C[C@H]2C1 1783565788 ZFKLIXAGRDXQKP-BKEDOTJMSA-N 375.425 -0.756 30 20 GBED CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)S)C[C@@H]21 1784453468 VOJXAVXFMWPJPB-CYDGBPFRSA-N 378.516 -0.281 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)OC)C[C@@H]21 1784505681 UDDOQJKRULODDY-AJNGGQMLSA-N 383.445 -0.087 30 20 GBED CN(C)C(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1786740648 VSUYFNQCNWRVPM-KKUMJFAQSA-N 393.488 -0.664 30 20 GBED C[C@H](CN)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786858242 NFEBGRHHLMSTOV-UGUYLWEFSA-N 379.505 -0.157 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CNC(=O)C4)C[C@@H]32)c1 1789346342 NIBCNKBNQMNVHX-YXWQFLTLSA-N 385.424 -0.384 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CCC)C2 1793343978 GRDRXCXVHFJAPQ-MAPUTHEBSA-N 393.484 -0.081 30 20 GBED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2 1793389174 SQETXUCUGYRNBM-PDWCTOEPSA-N 382.490 -0.222 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnc(Cl)c1 1794219199 OQJPGUAUIPIEIG-QHBPRCKVSA-N 378.772 -0.579 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1 1795853180 LIYVIPNFFUBTEK-AYDFFVQHSA-N 378.433 -0.331 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2nc(N)n[nH]2)CCC1 1797627087 RHOSSEFCQPAYAK-JJLQDPRZSA-N 387.444 -0.397 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797785455 SNFLFRXBIVLHJM-CCWDJLKJSA-N 388.420 -0.637 30 20 GBED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cnnn2)C3)cc1 1798919700 AIPZBWXEULUFKG-SCAQPMJSSA-N 381.396 -0.552 30 20 GBED C[C@@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1799285753 QIMSEEKZBVFEIK-UEILYKACSA-N 384.436 -0.175 30 20 GBED N#CCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1806282765 VGTDEGNCKYPUAH-JQHSSLGASA-N 387.440 -0.348 30 20 GBED O=C(/C=N/N1CCCCC1)NC[C@@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1 1810278248 CMNDAUCUBALTLY-PBRNBABXSA-N 389.456 -0.130 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833877857 RVHXJHLQNAZCBB-KBXCAEBGSA-N 393.444 -0.524 30 20 GBED Cc1nocc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834340668 VRIXYUYSWSEPBU-KRWDZBQOSA-N 377.353 -0.859 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1835354647 SVZRXEPSKAHBQT-SFHVURJKSA-N 390.396 -0.133 30 20 GBED Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1835622987 KHEQCWRTLZXQPR-SFHVURJKSA-N 389.412 -0.061 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838767308 BBUBZIXVEPGFTN-CQSZACIVSA-N 387.318 -0.473 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)CC)C1 1841531828 QJVDWSGICGNPBI-DANTVBBOSA-N 376.457 -0.037 30 20 GBED Cc1nc(S(=O)(=O)NCC(=O)NCCNc2ncccc2C#N)cn1C 116507348 CXAPKSMGTWNOPW-UHFFFAOYSA-N 377.430 -0.498 30 20 GBED C/N=C(/NCCN1CCSCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 261681151 DBSPHPUNVSXILS-KRWDZBQOSA-N 382.534 -0.079 30 20 GBED C/N=C(/NCCS(=O)(=O)N1CCSCC1)N1CCC[C@H](CC(N)=O)C1 261699476 FYOXFIUWTDAYBU-CYBMUJFWSA-N 391.563 -0.472 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CC(N)=O)CC2)ccc1F 264280363 UXSQIGWCICDUAC-UHFFFAOYSA-N 384.433 -0.467 30 20 GBED Cc1cc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)ccc1C#N 278053492 RSSOZIJSJLTXQQ-HOTGVXAUSA-N 399.494 -0.357 30 20 GBED COC(=O)c1cn(CC/N=C(\N)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 283816984 CHMKDRHBVGGBTH-UHFFFAOYSA-N 381.437 -0.068 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)NC(C)C)cc1 299403243 LNCXOBBAUJNISK-UHFFFAOYSA-N 387.483 -0.344 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(/C(O)=N/[C@H]3CC[C@H](O)CC3)CC2)CC1 328759126 WFCUISGHDYQASA-SHTZXODSSA-N 389.522 -0.686 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(O)nn1 349527393 VVGWBWMUJZXBOX-SNVBAGLBSA-N 377.448 -0.122 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2CCN(C)CC2)c1C#N 349541889 WYSMMAMOHXCAAG-UHFFFAOYSA-N 390.491 -0.701 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCn2ccnc2C1 349558388 RPZALCAELQDVDQ-NWDGAFQWSA-N 375.476 -0.661 30 20 GBED CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1 409570845 RGGWGLCBRFNGPB-ZDUSSCGKSA-N 388.471 -0.504 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)C1=O 412591289 QBLWNDDIWAXYLK-UONOGXRCSA-N 384.392 -0.309 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)c(F)c1 420197344 JFLHIFJOTDMMTN-AWEZNQCLSA-N 375.404 -0.549 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCC(=O)NC(C)C 460612285 NJMHEQBWZLEBOA-UHFFFAOYSA-N 383.412 0.417 30 20 GBED CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460718492 OSNHFFJADLQWTE-KBPBESRZSA-N 395.423 0.417 30 20 GBED Cc1ccc(C(=O)N2CCN(C(=O)[C@H](C)O)CC2)cc1S(=O)(=O)NCC#N 498776043 FWFLFTKZCRHJNN-ZDUSSCGKSA-N 394.453 -0.538 30 20 GBED CC1=NNC(=O)[C@@H]1CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 532494539 KZFSHKCGERPUHF-BXUZGUMPSA-N 377.426 -0.147 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 558672104 FQXGNQFIGIDOPF-DGCLKSJQSA-N 397.505 0.155 30 20 GBED COC[C@@H](O)CCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 568251933 BXKORQUHXQRGIR-RYUDHWBXSA-N 391.471 -0.447 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3CCN(C)C[C@@H]3CN)CC2)c1C#N 573235089 ICIIMLJRPXUKLM-ZDUSSCGKSA-N 391.501 -0.927 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@@H]2CS(=O)(=O)NC)CC1 577944480 PNJAGHRYBLDIMX-OAHLLOKOSA-N 386.518 -0.317 30 20 GBED CNC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C#N 581321733 XERNTYMXWRZLHY-WDEREUQCSA-N 388.471 -0.368 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(C[C@@H]3CCCO3)CC2)C1=O 590496503 JACTXXDUZWWVCM-AWEZNQCLSA-N 378.429 -0.324 30 20 GBED N#C[C@H](C(=O)CCNC(=O)Cc1ccccc1)C(=O)N1CCS(=O)(=O)CC1 732909809 GDLWCERLLSFSAF-OAHLLOKOSA-N 391.449 -0.299 30 20 GBED CN(C)C(=O)Cn1cnc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 741970412 FTWIAATVUZCIKZ-UHFFFAOYSA-N 391.413 -0.957 30 20 GBED Cc1c(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cnc2c1c(=O)n(C)c(=O)n2C 748435244 QNOMVHCEZLDMPQ-IBGZPJMESA-N 399.407 -0.094 30 20 GBED COC(=O)[C@@H](OC(=O)Cn1cc(S(N)(=O)=O)cn1)c1cccc(C#N)c1 751657254 OSISJEHWPPVTAH-AWEZNQCLSA-N 378.366 -0.140 30 20 GBED C#CCN1CCN(C(=O)CN2CCCc3ccc(S(N)(=O)=O)cc32)CC1 752299304 YTNBBYVISKDZOF-UHFFFAOYSA-N 376.482 -0.136 30 20 GBED C#C[C@H](C)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 760518879 YXNBORSZMIAQIF-WCQYABFASA-N 395.437 -0.492 30 20 GBED CCOC(=O)CON=C(C(=O)N1CC[C@@H](N2CCCC2=O)C1)c1cc[nH]n1 772642207 UZBTXLXXVXOQJJ-GFCCVEGCSA-N 377.401 -0.083 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCc1cccnc1N1CCN(C)CC1)[C@@H]1CCCO1 803526541 AQRCMLOBESFLNY-SJORKVTESA-N 385.468 -0.253 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NCCC(=O)O 827760493 KYOIDBARFCFSON-JTQLQIEISA-N 383.382 -0.641 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O 828748619 DTHRLGHLOMALCQ-AWEZNQCLSA-N 375.429 -0.552 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@]23C(=O)Nc2ccccc23)CC1 828757838 BZCAXKYATXIDIC-KDOFPFPSSA-N 388.449 -0.492 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 839526112 BHCCIBRYPNCDAQ-AWEZNQCLSA-N 393.494 -0.190 30 20 GBED C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1nonc1C 848962206 NRFMTPCLGQFLQC-MNOVXSKESA-N 380.448 -0.227 30 20 GBED C#CC[C@@H](CO)NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 854546402 DVKCIHNMDGBSBF-INIZCTEOSA-N 379.482 -0.053 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C[C@@H]2O)c1 970414535 RFDAFCPBCJICAT-KONPQCLYSA-N 379.420 -0.098 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)CN3CCOCC3=O)C[C@@H]21 975768294 PSLDOPIUMYNPLI-YVSFHVDLSA-N 391.468 -0.114 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCC(=O)NC1=O 1006383857 IFIVCUXAYYNMST-ZSAUSMIDSA-N 390.440 -0.233 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@H]2CCS(=O)(=O)N2)n1 1055036846 WTPDILWBAWORNL-MQYQWHSLSA-N 376.442 -0.426 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(CC(=O)NC)no2)C[C@H]1O 1077017493 CPDFRYYJMBECNZ-SYQHCUMBSA-N 393.444 -0.999 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN(C)C(C)=O 1110308524 FDMSSPDMEZTUFQ-MYPMTAMASA-N 379.461 -0.414 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnn(C)n1 1111145724 TYYTWUXRPONJJI-SFTQSGBHSA-N 375.433 -0.450 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)[C@H]1CCCO1 1261154912 VRVUQXWVXRWVLP-IJEWVQPXSA-N 382.424 -0.318 30 20 GBED N#Cc1ccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)s1 1318935279 ISHQDQVAXSXGDW-GFCCVEGCSA-N 396.494 -0.319 30 20 GBED N#CCNC(=O)CNC(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 1322594604 SVTDVVSQLQCGOH-UHFFFAOYSA-N 383.405 -0.195 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 1323586297 AKOVTHFHIQKFTI-KRWDZBQOSA-N 388.468 -0.236 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1nncn1-c1ccccc1 1323780552 PYHHZFPGXMQGJO-UHFFFAOYSA-N 377.426 -0.400 30 20 GBED O=C(CCn1nnc2ccccc2c1=O)NCCN/C(O)=C1/N=CC=CC1=O 1327442508 ISTWTUGYEIYQTO-MSUUIHNZSA-N 382.380 -0.176 30 20 GBED COCCN1[C@@H](C)CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[C@H]1C 1329382593 LWISCSQKJLWQFF-HLLBOEOZSA-N 377.489 -0.247 30 20 GBED C=C(C)Cn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCO[C@H](COC)C1 1343905846 BFMAGMUFKXIOJG-ZDUSSCGKSA-N 390.444 -0.230 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1347038071 OWQRTRVCZBSXGS-UHFFFAOYSA-N 380.445 -0.919 30 20 GBED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@@H](C#N)C(=O)N1CCCC1 1347064450 YVTLIHNKCHPVCH-CQSZACIVSA-N 394.453 -0.009 30 20 GBED C=CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CCCCc2cnn[nH]2)C1 1575107891 CJWVKTYNIPYNDH-CQSZACIVSA-N 377.449 -0.280 30 20 GBED C[C@H](OCc1cnn[nH]1)C(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCCO1 1575862514 LCKXWNROAKJIKB-WFASDCNBSA-N 386.416 -0.217 30 20 GBED C=CCCn1cc(C(=O)NC2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 1588620894 LWBHQRBAOBTIIK-UHFFFAOYSA-N 382.388 -0.383 30 20 GBED C[C@H](NC(=O)COC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N(C)C 1589923007 FKKPIBCFSVJSPK-SMDDNHRTSA-N 399.411 -0.315 30 20 GBED C[C@H](NCC(=O)NCC#N)[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1589957214 BUPOJNAUYNJMEU-RYUDHWBXSA-N 385.432 -0.335 30 20 GBED N#CCSCC(=O)NC1(CO)CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 1592679411 PSDWHEBMRMUXGW-UHFFFAOYSA-N 389.445 -0.639 30 20 GBED N#Cc1c[nH]cnc1=NCC1(O)CCN(c2ncncc2-c2nn[nH]n2)CC1 1609500606 MAPGBOFZCYZMBM-UHFFFAOYSA-N 379.388 -0.816 30 20 GBED CS(=O)(=O)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CC1 1750191823 VPXYSOVOCULCEY-NEPJUHHUSA-N 394.457 -0.465 30 20 GBED CN1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)CC1 1778257007 GTWAQFBKXFTFOB-LJQANCHMSA-N 377.489 -0.387 30 20 GBED CN[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1)C(=O)O 1781400243 KDONNZGFMSYKDZ-HBUWYVDXSA-N 398.460 -0.320 30 20 GBED Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nc2nccn12 1782355854 CKTRUUWCULNITC-LJQANCHMSA-N 397.391 -0.431 30 20 GBED CCS(=O)(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785363030 DXJGBQFQNAWCLK-QGZVFWFLSA-N 383.470 -0.055 30 20 GBED CNC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1793285120 RJXIXQLRHQHAIC-CCWDJLKJSA-N 391.468 -0.589 30 20 GBED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1797646588 LTEDJZCDLFVDOU-IWSXDTNSSA-N 392.500 -0.063 30 20 GBED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 1798632587 KEGVXJBVZGAJRO-BAESOJJISA-N 380.470 -0.073 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 1798634802 DIEPPBGYUDISKU-JFILPPLUSA-N 391.428 -0.226 30 20 GBED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)CC1 1806848062 RWXKZRVNZPOTDY-YQQAZPJKSA-N 398.467 -0.016 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CC(N)=O)CCO3)C1 1831596437 MOPWUSZNSLXEAF-IFXJQAMLSA-N 379.457 -0.080 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1834758624 RDUFVIWNLCWPCJ-SFHVURJKSA-N 384.396 -0.058 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CN)CCO2)C1 1835527266 CBIIFVMTGRQKQG-VCBZYWHSSA-N 383.489 -0.389 30 20 GBED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1837672376 IGBGTNOPHJVQBN-RDTXWAMCSA-N 380.445 -0.339 30 20 GBED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)nn1 1838351971 DJDWDVLYFVDRSK-YVEFUNNKSA-N 396.469 -0.127 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840228017 DPMDZCJZLRBAIN-KSSFIOAISA-N 378.429 -0.727 30 20 GBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843413095 MTYLOORLFAOJGD-OAHLLOKOSA-N 397.497 -0.346 30 20 GBED C/N=C(/NC[C@H]1CN2CCN1CC2)N1CCN(CC(=O)N2CCCCC2)CC1 262814700 WITTUQURORXFIX-SFHVURJKSA-N 391.564 -0.808 30 20 GBED C=C(C)COc1cccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c1 275898891 IWRJMWVHQMFPQZ-AWEZNQCLSA-N 386.408 -0.251 30 20 GBED C=CCSCCNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 286599338 WVCQWGLHSZPNOK-UHFFFAOYSA-N 381.545 -0.483 30 20 GBED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 298974140 OKCXNNBRSPMBCP-UHFFFAOYSA-N 385.424 -0.500 30 20 GBED C/N=C(/O)N[C@H]1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 329821706 GYGQUSUJPWNTNB-ZDUSSCGKSA-N 375.433 -0.289 30 20 GBED CNS(=O)(=O)NC1CCN(/C(O)=N/C[C@@H]2CN(CC(C)C)CCO2)CC1 331355038 QCVYALWNKNNRMP-OAHLLOKOSA-N 391.538 -0.225 30 20 GBED C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)N[C@@]1(C#N)CC1(C)C 349456189 DFNLVPRYWABWDY-MBNYWOFBSA-N 379.504 -0.227 30 20 GBED CN(C)C1CN(S(=O)(=O)CCCS(=O)(=O)N[C@@]2(C#N)CC2(C)C)C1 349504654 QPUDJCAKPHELMV-CQSZACIVSA-N 378.520 -0.436 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C2(C#N)CCC2)C[C@@H]1O 349528917 VNJDWONGAANRPJ-STQMWFEESA-N 379.504 -0.273 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCS(=O)(=O)CC1 364461693 XEIRGOMCGUTYSH-GFCCVEGCSA-N 385.467 -0.128 30 20 GBED C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 372737239 IFUOVQPBRNBCCY-NWDGAFQWSA-N 389.387 0.412 30 20 GBED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1 412042569 OSFLRUYSHGTQFP-UHFFFAOYSA-N 388.409 -0.247 30 20 GBED C=CCOC[C@@H](NS(=O)(=O)c1cnc2nc(O)nc(O)c2c1)C(=O)OC 481586244 XTYKLSKNHCLTQE-SNVBAGLBSA-N 384.370 -0.542 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCCCC(N)=O)cc1 516089034 MZVQUABKZQTVHO-NSHDSACASA-N 388.471 -0.189 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CNC(=O)C3)CC2)cc1 543567110 ZHFIUIRSPSGVDI-CQSZACIVSA-N 376.438 -0.036 30 20 GBED Cc1nsc(N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)c1C#N 584320633 FELKCZZQZUTLIO-LBPRGKRZSA-N 382.471 -0.086 30 20 GBED Cc1nccc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n1 585774525 XYRGHBJRAVWULO-UHFFFAOYSA-N 382.428 -0.336 30 20 GBED C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 589059948 LCAPPIZUZNMLRT-LUGWNYHVSA-N 393.469 -0.045 30 20 GBED COc1cc(NC(=O)C(=O)N(C)CC(=O)N2CCOCC2)c(F)cc1C#N 599971269 IICKXJMXGAOABW-UHFFFAOYSA-N 378.360 -0.038 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCNC(=O)c2ccc(C)cc2O)CC1 728608914 WYHXRJAKIQUSDB-UHFFFAOYSA-N 386.452 -0.286 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)N(CC)CCC#N)CC1 800001738 LXECGTWHVJBJCJ-UHFFFAOYSA-N 381.524 -0.329 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(O)C2=O)cc1 820186135 VSLXDFNZPOHSNP-GFCCVEGCSA-N 385.398 -0.752 30 20 GBED N#CCN(CC(=O)O)CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 833066698 GWDMPGBXHFMTQU-UHFFFAOYSA-N 396.425 -0.444 30 20 GBED C[C@H]1NC(=O)N(CCOC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1=O 837382807 GRTRNIKJYHIZIF-LLVKDONJSA-N 394.409 -0.024 30 20 GBED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)C2CNC2)cc1 841246254 WUQXGETWASIOTM-HMMYKYKNSA-N 393.469 -0.132 30 20 GBED C#C[C@H](NC(=O)C(=O)NC[C@H](N1CCNCC1)C(F)(F)F)[C@@H]1CCCO1 842164544 WTVCQGVMUQULTC-AVGNSLFASA-N 376.379 -0.764 30 20 GBED C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCCn2ncnc21 848961433 WXLLVDKQKOHUFK-GFCCVEGCSA-N 375.476 -0.509 30 20 GBED CS(C)(=O)=NS(=O)(=O)N1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 853668083 UGACSXYBFPEBKY-UHFFFAOYSA-N 388.431 -0.044 30 20 GBED C#CCNC(=O)C1CCN(C(=O)COc2nsnc2N2CCOCC2)CC1 874256387 VXBXJBBTTFJEBJ-UHFFFAOYSA-N 393.469 -0.259 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 875600069 OYCIJIIUDCKQOX-MRXNPFEDSA-N 378.473 -0.702 30 20 GBED C=CCn1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 958905787 OXRBKILRCGDSSX-BSDNWCIJSA-N 387.440 -0.469 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc3c(n2)OCCO3)C1 969025328 ZALYNXMQHOZCDT-RZFFKMDDSA-N 389.408 -0.255 30 20 GBED C=C1CC(C)(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)C1 970621285 ANCFJAFWYBYGMN-BARDWOONSA-N 379.457 -0.334 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@@H]1C 988311983 SYZKYILYEIATAK-NCOADZHNSA-N 392.500 -0.153 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2C(=O)CNC2=O)nc1 998952540 QQHLTVQIISXZQG-SNPRPXQTSA-N 381.392 -0.524 30 20 GBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2CCCS2(=O)=O)nn1 1055465550 PKCKDUFUYOPDMP-MCIONIFRSA-N 376.442 -0.390 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@H]1CCNC1=O 1109396903 LJLPULBBQPKDRT-WCVJEAGWSA-N 375.473 -0.004 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCNC(=O)[C@H]1CCCO1 1110200583 NWJQSRNTLNUMPI-FXUDXRNXSA-N 376.457 -0.857 30 20 GBED N#Cc1cccc([C@@H]2CN(C(=O)C(=O)NCC(=O)N3CCOCC3)CCO2)c1 1117306896 PPFBCEYZZHBLBM-INIZCTEOSA-N 386.408 -0.567 30 20 GBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1121377066 OLQZEEFYAKNGLV-ZIAGYGMSSA-N 387.488 -0.143 30 20 GBED Cc1ccc(-c2nnc(N3CCN(C(=O)Cn4cnnn4)CC3)n2C)cc1C#N 1123068878 DMEQCTGTCJWUMR-UHFFFAOYSA-N 392.427 -0.003 30 20 GBED O=C(CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)NCC#Cc1ccccc1 1220389383 GUHVWLLAEBCULE-UEDWAMCQSA-N 397.475 -0.117 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC([C@H]3C[C@@H](N)CCO3)CC2)nn1 1261435560 YOFAHLSMYRYDDB-GOEBONIOSA-N 376.461 -0.175 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)CC2)CCN1Cc1ccccc1 1325241503 NKKJFHJIBVCHFW-MRXNPFEDSA-N 390.465 -0.520 30 20 GBED CC(=O)N1CC[C@@H](NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 1328599529 KNKQAFTZYSAXCM-MRXNPFEDSA-N 384.440 -0.225 30 20 GBED COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN(C3CC3)[C@H](C#N)C1)CC2 1329961886 PMUIBVBXANNJKN-GXTWGEPZSA-N 387.444 -0.946 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1[C@@H]1CCOC1 1551336151 UOUGEYFQQCQPBF-TZMCWYRMSA-N 379.438 -0.011 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@@H](O)CNc1cc(-c2nn[nH]n2)nc(CC)n1 1573310190 UPDYCCPYTLRDOA-QFYYESIMSA-N 376.421 -0.565 30 20 GBED C#CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)CCOCc2cnn[nH]2)C[C@H]1C 1575004277 CUACAJBHNSNOMJ-QLFBSQMISA-N 376.461 -0.467 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)CCC)C1 1757180569 ITXQCSLNUWFHND-FQLMCAECSA-N 388.486 -0.520 30 20 GBED CC(C)CNC(=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1778116906 OBRLHOPOEORRJR-AUUYWEPGSA-N 393.440 -0.640 30 20 GBED CSCC[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015636 UJGNFEIRMZCLRR-PMUMKWKESA-N 398.481 -0.298 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccn3ccnc3c1)CCO2 1783564175 HWUOURGULNXJCL-LJQANCHMSA-N 382.376 -0.134 30 20 GBED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786696141 LPMSIHILIQSZQK-AJNGGQMLSA-N 391.472 -0.023 30 20 GBED O=C(Cn1ccncc1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1790580167 RFAZLIBIMVSEBZ-ULQDDVLXSA-N 384.436 -0.364 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn(C)c1=O 1793545400 MOXFQHGSDXZGAP-MPTYRVRUSA-N 387.436 -0.373 30 20 GBED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N)[C@@H]1SC(=N)NC1=O 1795080990 HAMVIJXIWGEGKS-QTCIEIIFSA-N 379.442 -0.708 30 20 GBED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@H](N)C(N)=O)C2 1796044997 JVXRXTPPHHZCIS-XGUBFFRZSA-N 392.504 -0.501 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1noc2c1CCCC2 1796155316 OQDYSIXXTSXSRP-DPIQGUFMSA-N 387.392 -0.155 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O 1796343171 JAOIXZIKKCYAPA-NRWUCQMLSA-N 390.396 -0.871 30 20 GBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1C(N)=O)C2 1800982869 USGZNTZTQFDASC-HNCHTBHHSA-N 378.454 -0.298 30 20 GBED N#CCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804092007 RRAPNSYUFAAOKV-SUMWQHHRSA-N 384.396 -0.447 30 20 GBED O=C1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CN1 1829946523 PFQGBLSSZQXCRK-JXFKEZNVSA-N 389.452 -0.618 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1831499583 WSDMRZZGVANHLD-XUWXXGDYSA-N 399.513 -0.467 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CC(N)=O)CCO3)C1 1831596439 MOPWUSZNSLXEAF-LIRRHRJNSA-N 379.457 -0.080 30 20 GBED Cc1nscc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1833749604 PNNUAHBQRRKXSD-QGZVFWFLSA-N 393.421 -0.390 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)CC1 1835340022 ZLRYVDABRZHNPO-AUUYWEPGSA-N 390.440 -0.727 30 20 GBED CCC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682453 JRBCJLRYEJEHIG-IBGZPJMESA-N 394.472 -0.296 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1840173471 ZQPLOMMIKAJUNS-SFHVURJKSA-N 381.429 -0.139 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](COC(C)=O)OC(C)=O 1847804483 GIHCYXSTSJRXLI-OSMBCOQSSA-N 394.424 -0.279 30 20 GBED C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)S(C)(=O)=O 107526692 ZPGYSBJBUPAWIV-LBPRGKRZSA-N 385.467 -0.176 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC3(CC2)[C@@H](O)C[C@H]3OCC)C1=O 266045579 UUTQKMPYVCVHCU-QWHCGFSZSA-N 379.413 -0.258 30 20 GBED C#CCOc1cccc(NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)c1 267323406 BEMIIKXVWJAQJL-UHFFFAOYSA-N 394.453 -0.930 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)c2ccc(CCNS(C)(=O)=O)s2)C1=O 273271759 QDUDQNUJQQEYOL-UHFFFAOYSA-N 399.450 -0.001 30 20 GBED COC(=O)CCN1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)[C@@H](C)C1 275900296 JDQFIUFXVGRDKE-ZDUSSCGKSA-N 376.417 -0.169 30 20 GBED C=Cn1cc(/C=c2\s/c(=C(\C#N)C(=O)NCCCOCC)n(C)c2=O)cn1 277998186 NYZXHQZEOLREHY-QIMRWHRKSA-N 387.465 -0.210 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N(CCS(C)(=O)=O)C1CC1)c1cc[nH]n1 278878779 YIELTZMJXKKPRK-NBVRZTHBSA-N 386.430 -0.271 30 20 GBED C#CCN(CC(=O)NCCCC(=O)OCC)CC(=O)NCCCC(=O)OCC 298464540 ZOOHNOBBIBBAKQ-UHFFFAOYSA-N 397.472 -0.159 30 20 GBED N#CC[C@@H]1CC[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)C1 348372055 DQDKIIGBMCTKJH-QWRGUYRKSA-N 376.464 -0.062 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N=c1nc[nH]n1C 349474466 VLUZMLKPJYXYLE-NSHDSACASA-N 398.470 -0.182 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@]2(CCN(C)C2)C1 349500273 LDVPVPHMTFWGOP-UONOGXRCSA-N 378.520 -0.435 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCn2cncc2C1 349603851 SNOYSTZMRYSMNW-LBPRGKRZSA-N 375.476 -0.360 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCc3c[nH]nc3C2)CC1 349611802 HRASIUHRIFMYQO-LBPRGKRZSA-N 387.487 -0.448 30 20 GBED N#Cc1cccnc1-n1cc(NC(=O)C2CCN(S(N)(=O)=O)CC2)cn1 372023857 AAMCVNXBYHYQIX-UHFFFAOYSA-N 375.414 -0.007 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)n1 378424929 SDCFWDHGPFMZKP-CABCVRRESA-N 388.472 0.506 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@@H]5O)CC2)c1 410745570 HIIFZVCCDBCDTE-ONMISFSYSA-N 381.436 -0.170 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C)CC(C)(C)CO)CC2)c1C#N 410834456 KKVKYWQEGSYHOY-UHFFFAOYSA-N 376.461 -0.274 30 20 GBED N#CCCC[C@H](N)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 424087145 FBHRKWTYOARGHH-AWEZNQCLSA-N 379.442 -0.233 30 20 GBED C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)nn1 424589926 ZPZXKINXBWSFCM-UHFFFAOYSA-N 397.505 -0.896 30 20 GBED N#Cc1c(N)n[nH]c1CCCNC(=O)N=c1ccn(CCN2CCOCC2)[nH]1 438310316 BEGYGEKPKYMFJS-UHFFFAOYSA-N 387.448 -0.432 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cn(CC(=O)O)nn2)c1 439722540 VDTRUNKUFNBOKB-UHFFFAOYSA-N 379.398 -0.243 30 20 GBED Cn1ncc2c(N3CCN(C(=O)NCCn4cnc(C#N)n4)CC3)ncnc21 510630177 SGCMYPUHOXEOCH-UHFFFAOYSA-N 381.404 -0.642 30 20 GBED N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c[nH]1 540905640 IZGUTUDLZFMKSL-UHFFFAOYSA-N 377.382 -0.275 30 20 GBED C=C[C@](C)(O)CC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 562069582 BBVJPIDPYITCDW-KRWDZBQOSA-N 382.486 -0.023 30 20 GBED O=C(NCC#Cc1cccc(C(F)(F)F)c1)C(=O)NCC(=O)N1CCNCC1 563692168 SYNDXNJIZJUCDF-UHFFFAOYSA-N 396.369 -0.279 30 20 GBED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCCCS(N)(=O)=O)c1 580244340 BNFNMJSHZOIJDZ-UHFFFAOYSA-N 376.341 -0.107 30 20 GBED C[C@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1cccc(C#N)c1 587706449 WKKMZNHZMFYIBE-ZDUSSCGKSA-N 397.435 -0.315 30 20 GBED C[C@H](O)CN(C(=O)C(=O)N1CCN(c2ccsc2C#N)CC1)[C@H](C)CO 595168755 DCGVSZDXDGAQBQ-OLZOCXBDSA-N 380.470 -0.141 30 20 GBED CN1CCN(CCCS(=O)(=O)N(CCC#N)CCN2CCOCC2)CC1 601335728 QTDGSWSXZAWOOR-UHFFFAOYSA-N 387.550 -0.498 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2cccn2C)CC1 619707878 SYPTZNCTDUKOII-UHFFFAOYSA-N 383.474 -0.110 30 20 GBED COC(=O)CN(CCN1CCOCC1)C(=O)CCN/C(O)=C1/N=CC=CC1=O 746238978 XIKRYOWYXJDTHV-ZCXUNETKSA-N 394.428 -0.763 30 20 GBED C=CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 766812158 HAPBNZPKEONDEX-GFCCVEGCSA-N 389.474 -0.171 30 20 GBED Cc1c(C)c(O)c(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C)c1O 799882715 BFAPURSNZXFCCI-UHFFFAOYSA-N 396.425 -0.267 30 20 GBED C=CCNC(=O)NC(=O)CN1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C 819751324 TWAMTFJLBHADHY-LLVKDONJSA-N 386.420 -0.821 30 20 GBED CS(=O)(=O)N=S1(=O)CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 820260349 CIJAQYQSUXBDBJ-UHFFFAOYSA-N 398.466 -0.442 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1CCC[C@@]12CCOC2=O 848970198 QATPWEVPYPZWAL-AWEZNQCLSA-N 393.487 -0.337 30 20 GBED CCON(CC)C(=O)CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 861989316 BRHGRKMTOUMFDI-UHFFFAOYSA-N 385.384 -0.006 30 20 GBED N#C[C@H]1CN(C(=O)COc2nsnc2N2CCOCC2)CCN1C1CC1 874461311 WGCDPAOTSRIBAU-ZDUSSCGKSA-N 378.458 -0.048 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nnc(O)nc2O)[C@@H]1C 988308147 APCVIOHIDLFKCN-WYUUTHIRSA-N 377.401 -0.017 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1C 988310810 NVSCUDYBHHOFBI-MQYQWHSLSA-N 378.429 -0.375 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)nc3O)[C@@H]2C1 1021693543 AAZNFWMUIVJQSW-MXYBEHONSA-N 388.424 -0.250 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCS(C)(=O)=O)C[C@@H]1n1ccnn1 1070031107 FNJQWMFJFVPPGS-KBXIAJHMSA-N 383.474 -0.745 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1C[C@H]1C(=O)N(C)C 1111026423 LKZKBXCEVUAYRV-KHMAMNHCSA-N 391.472 -0.556 30 20 GBED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1117533030 RTBZZXFVOBZJGW-CJNGLKHVSA-N 397.435 -0.141 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@H](N3CC(=O)Nc4ccccc43)C2)C1 1261486596 BGJZVAAKTYTYRF-XOBRGWDASA-N 397.435 -0.077 30 20 GBED N#CCOc1cc(F)ccc1NC(=O)C(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 1320678638 QRKZNCYTOGWMAG-GFCCVEGCSA-N 399.400 -0.325 30 20 GBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1350530195 KZRBLJIJBTXENC-AWEZNQCLSA-N 375.477 -0.286 30 20 GBED N#Cc1cnc(N2CCOC[C@H]2CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cn1 1571152073 CPPKGCWRYMBCQJ-LLVKDONJSA-N 380.372 -0.508 30 20 GBED O=C(CC(=O)N1CC[C@@H]2[C@@H]1CCCN2C(=O)C#CC1CC1)NCc1cnn[nH]1 1577766459 RTDQQNCXQOTGHD-JKSUJKDBSA-N 384.440 -0.184 30 20 GBED N#Cc1nccnc1N1C[C@H]2[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C1 1581885247 TUCYEQWJYXSOGO-CNDDSTCGSA-N 376.384 -0.031 30 20 GBED C#CCn1cc(CNC(=O)CS(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)cn1 1588364209 ZOKRCISOJSMZIO-UHFFFAOYSA-N 399.436 -0.072 30 20 GBED C=CCNC(=O)CN[C@@]1(CO)CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588659437 LROHSPSVEKLTAJ-KRWDZBQOSA-N 388.432 -0.946 30 20 GBED C=CCOCC(=O)N1CC[C@@]2(C1)CN(c1nccnc1-c1nn[nH]n1)CCO2 1588667326 WGHLOKKKJBSZDD-QGZVFWFLSA-N 386.416 -0.333 30 20 GBED C=CCOCC(=O)N1CCC[C@H](N(CCO)c2cnc(-c3nn[nH]n3)cn2)C1 1588671902 PAOFFMHIUCVNJI-ZDUSSCGKSA-N 388.432 -0.351 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[nH]n2)nn1 1588713107 FOMLVTJBWXSBSU-MDZLAQPJSA-N 393.415 -0.026 30 20 GBED N#CCSCC(=O)NC[C@@H](O)CNCc1ccc(F)c(-c2nn[nH]n2)c1 1592679679 ZHAZHRJQIUAEDP-NSHDSACASA-N 379.421 -0.171 30 20 GBED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O 1592697501 JJGBNJNCKVTPLV-ZDUSSCGKSA-N 378.352 -0.196 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 1593377371 FIJXXILILDVHSS-BXWAGETQSA-N 383.368 -0.457 30 20 GBED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCNC(=O)[C@@H]1CC(=O)O 1601131759 PJZKONVDMVXXBF-AWEZNQCLSA-N 382.380 -0.042 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]1(O)CCN(c2ncccc2-c2nn[nH]n2)C1 1602885633 HAINDYFKVLCALJ-UVBSCNOISA-N 385.428 -0.090 30 20 GBED Cc1cc(C#N)nc(NC[C@H](O)CN(C)c2nc(C)cc(-c3nn[nH]n3)n2)n1 1605588862 LENZISIBNBUVJC-LBPRGKRZSA-N 381.404 -0.156 30 20 GBED C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)CC1 1609058833 YQAPFNWPLTYBCS-UHFFFAOYSA-N 381.418 -0.932 30 20 GBED N#Cc1cn(CC(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)c(=O)nc1O 1635686289 UKITVTDFEIFXAE-SNVBAGLBSA-N 380.307 -0.345 30 20 GBED CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1697024542 MJMDLWXBXQDPMH-IINYFYTJSA-N 385.425 -0.780 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)CC1 1779877444 PKQUSVBQJPYKRU-GOSISDBHSA-N 384.396 -0.677 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)S)[C@H]2C1 1791261880 ICHUMVYQNIVDMJ-JNLQPACOSA-N 389.474 -0.651 30 20 GBED CS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1 1792138879 BRYNSEIVRFAFQT-IHRRRGAJSA-N 383.470 -0.295 30 20 GBED CC(C)(C#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCS(=O)(=O)CC1 1794089041 YVDQTJFWWNUFCK-QDMKHBRRSA-N 396.513 -0.095 30 20 GBED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC[C@H](N)C(N)=O)cc1 1795635169 UZJAJEGPRAWZJP-DFGXFYAUSA-N 399.451 -0.646 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CNC(N)=O)[C@@H]1c1cccnc1 1803554495 IEVFMUGEAAXIIQ-UKPHBRMFSA-N 387.440 -0.206 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1812876262 GKKVEGSAUOCVFE-HBUWYVDXSA-N 384.392 -0.546 30 20 GBED C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2)n1cncn1 1826797970 KDPKCMLCPUWSQJ-NXEZZACHSA-N 388.409 -0.004 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1831438213 MOTVMABDKKDQKT-GXAQHZSOSA-N 394.468 -0.074 30 20 GBED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)Cc3cncnc3)CC2)CC1 1833863080 ZMXLNWCSWYFMPQ-UHFFFAOYSA-N 399.451 -0.321 30 20 GBED CC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835673245 ZEKHEEDZQLHMPC-SFHVURJKSA-N 380.445 -0.686 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839883204 VIZJTJJQRFFILK-HNAYVOBHSA-N 397.472 -0.440 30 20 GBED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1)C(F)(F)F 1839892572 UXUFIVGTBYIZIG-AWEZNQCLSA-N 393.366 -0.956 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](C)Cn2cncn2)C1 1844345551 XTOBMYGUGTXQAJ-YVACAVLKSA-N 386.456 -0.024 30 20 GBED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194626 XTYNWAIWYRWRQV-GFCCVEGCSA-N 395.412 -0.837 30 20 GBED CC/N=C(/NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[C@]2(CCOC2)C1 261948761 GRGVDFKVDSRIPN-PBHICJAKSA-N 386.518 -0.242 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 270187882 NAHIWWRSZCIPTM-UHFFFAOYSA-N 397.435 -0.357 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CCO)CC1 273439356 MXBVVVCLXWZSQB-UHFFFAOYSA-N 376.413 -0.342 30 20 GBED C=CCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 275596476 DZDPLKQXZMQBCU-UHFFFAOYSA-N 380.426 -0.610 30 20 GBED Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NCCCCC#N)CC2)no1 286359155 CFGXVXKWXDSOKE-UHFFFAOYSA-N 376.417 -0.124 30 20 GBED C[C@H](C(=O)N1CCCC1)N1CCN(/C(O)=N/CC(=O)N2CCOCC2)CC1 329203947 CYCYSGSIXMMQFK-OAHLLOKOSA-N 381.477 -0.612 30 20 GBED CNS(=O)(=O)C1CCN(/C(O)=N/[C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 329805031 MNZXAACYYFOTLS-CQSZACIVSA-N 398.489 -0.157 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](O)C1 349527398 VXBYAHGMHPVQEL-NWDGAFQWSA-N 383.517 -0.956 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H](C)C#N)cn(C)c1=O 349574297 LNXLGCXRSVJWRV-LLVKDONJSA-N 390.487 -0.095 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCCS(=O)(=O)NCc2ccccc2)CCO1 409552455 CJSTTZFHSKEGGF-AWEZNQCLSA-N 388.471 -0.835 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCCCn1nc2n(c1=O)CCCC2 409586887 LYZKOTLSQXGIDN-UHFFFAOYSA-N 386.478 -0.532 30 20 GBED CCn1nccc1N1CCC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1=O 499490085 BWBJRDGXPZOFRD-STQMWFEESA-N 382.446 -0.543 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CO)CC(F)F)cc1 568253439 OWXBCNZMLZVCLS-VIFPVBQESA-N 383.398 -0.217 30 20 GBED CN1C(=O)C[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1=O 572984860 PUCBDLMKYPTZRH-OLZOCXBDSA-N 383.364 -0.363 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1)c1nc[nH]n1 580329163 NOKSQTCSXUUUJF-JTQLQIEISA-N 384.443 -0.012 30 20 GBED C[C@H](C[S@@](C)=O)NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 589059947 LCAPPIZUZNMLRT-DQQVXTMASA-N 393.469 -0.045 30 20 GBED Cn1[nH]cc2c(=NS(=O)(=O)CCCS(=O)(=O)N3CC(C#N)C3)ccnc1-2 594637084 AIOJYZLRDMVPTR-UHFFFAOYSA-N 398.470 -0.741 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)Sc2nnnn2C2CC2)CC1 728530466 GTQDAOYCBNMOCL-GFCCVEGCSA-N 377.474 -0.618 30 20 GBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)NCc2ccc(C(=O)O)cc2)CC1 736076348 MUVNPPSCTBLEOQ-HNNXBMFYSA-N 386.452 -0.244 30 20 GBED C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCO)s1)C(=O)N(C)CCC#N 745146970 WUXBKQWFUUXPPM-JTQLQIEISA-N 389.455 -0.064 30 20 GBED CN(C(=O)COC(=O)Cn1cc(S(N)(=O)=O)cn1)C1(C#N)CCCCC1 748427716 OEIZKKHITBLDFW-UHFFFAOYSA-N 383.430 -0.241 30 20 GBED CS(=O)(=O)CCOCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 751448605 CKXIHOQOSNQORF-UHFFFAOYSA-N 377.400 -0.194 30 20 GBED CC#CCCCC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 767296826 HOWYCYNNGXWGTB-AWEZNQCLSA-N 376.500 -0.159 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 769204354 HIOPJWLETHEBMG-UHFFFAOYSA-N 380.382 -0.608 30 20 GBED C#CCCCCC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 773259848 OBSYINPYHUGWQL-AWEZNQCLSA-N 376.500 -0.159 30 20 GBED CS(=O)(=O)CCS(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 792785282 PPFAEYKDZQSBNK-CQSZACIVSA-N 385.467 -0.377 30 20 GBED CS(=O)(=O)C1(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 793993772 HPERPOQAOZPUJU-UHFFFAOYSA-N 385.467 -0.191 30 20 GBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)[C@@H]1CCCO1 805186490 JZNQUJGRPLZLMF-QRTARXTBSA-N 384.436 -0.223 30 20 GBED COC[C@](C)(CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)c1c[nH]c(C#N)c1 826148788 RCDXXOSZLIJAJT-KRWDZBQOSA-N 397.399 -0.041 30 20 GBED CC(C)(C)OC(=O)N1CCO[C@H](CNS(=O)(=O)N2CCO[C@H](C#N)C2)C1 841528978 XKRYZDORVZEZNF-CHWSQXEVSA-N 390.462 -0.319 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCC(c2nc(O)n[nH]2)CC1)c1cc[nH]n1 843876460 ZJNGZSJZTVZAEY-UHFFFAOYSA-N 391.388 -0.077 30 20 GBED COC[C@@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 848942067 VJEZDUDUZPBICG-NSHDSACASA-N 377.444 -0.884 30 20 GBED C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 850649205 OKCNLYWKRNRBAV-GFCCVEGCSA-N 375.454 -0.043 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C[C@H](CO)O1 867582436 VKOLUXXNWBGKQM-CZUORRHYSA-N 390.415 -0.046 30 20 GBED COC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1 912535533 UYYBCGGDDJJJJK-UHFFFAOYSA-N 376.398 -0.026 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2CC(=O)N(C)C2=O)[C@@H]1CC 985515331 XHXHORGXBUADKC-BARDWOONSA-N 392.456 -0.033 30 20 GBED CCO[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1CN=c1cc[nH]c(C#N)n1 1047962160 UBBXBNNHSZKRML-KBUPBQIOSA-N 386.456 -0.040 30 20 GBED C[C@H](C#N)C(=O)NCCN1CCC(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1055631709 JZURGJUIMBSHMU-YQFWSFKMSA-N 378.473 -0.106 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]2O)O1 1083776109 AUNXMFRCHMDGFN-XDNAFOTISA-N 386.452 -0.145 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc(-n2cncn2)nc1 1109579387 SJIIRVUZKFYFNB-PMPSAXMXSA-N 379.424 -0.253 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)OC 1110336191 ZVBMZXCHRJESRZ-LOWDOPEQSA-N 381.433 -0.536 30 20 GBED C=CCN1CC[C@H](N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN(C)C(=O)COC)C1=O 1110623839 TXSLXWSXKWONSL-WCVJEAGWSA-N 378.473 -0.400 30 20 GBED CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C#N)c1 1110859779 NBFWEQHEULBODY-OAGGEKHMSA-N 377.470 -0.166 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(C)c(O)n1 1110979006 MNYVKUATWRZRKT-WZRBSPASSA-N 376.417 -0.527 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N(C)C[C@H]1COCCO1 1118457406 MCXRUUYSANNYIW-KBPBESRZSA-N 388.428 -0.741 30 20 GBED C=CCn1c(CN2CCC[C@H](O)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1121530532 LZOXQRPRPQGLHL-AWEZNQCLSA-N 384.506 -0.498 30 20 GBED C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(CCC#N)CC1 1152068909 RMPJXIKDMYLHBW-OCCSQVGLSA-N 386.499 -0.166 30 20 GBED CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C 1215527602 ISKMZHMNSZSRMJ-APIJFGDWSA-N 379.461 -0.782 30 20 GBED CN1CCN(C)[C@@H](CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 1252597993 QVLFCIFKXIZSEW-INIZCTEOSA-N 396.455 -0.501 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3O)CC2)C1 1261488765 YVQYPBFNKMBUOX-LJQANCHMSA-N 386.408 -0.446 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(CCCCO)CC3)CC2)o1 1322867917 FPFPKYMMRAHFJO-UHFFFAOYSA-N 390.488 -0.107 30 20 GBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC(N3C[C@H](C(=O)O)CC3=O)CC2)C1 1326859040 PQOYCMMEUCOSFZ-YNEHKIRRSA-N 376.413 -0.281 30 20 GBED C#CCOCCN(C)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 1521012483 FIOFWPCLKVPGGN-UHFFFAOYSA-N 379.438 -0.471 30 20 GBED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCOC2)C1 1555985443 PGJSFYQWVFYWPN-DAXOMENPSA-N 399.448 -0.226 30 20 GBED C#Cc1ccc(C(=O)NC[C@H](CO)Nc2nc(C)cc(-c3nn[nH]n3)n2)cn1 1573288423 QEPXKAWABYWATA-CYBMUJFWSA-N 379.384 -0.456 30 20 GBED C#CCCCn1c([C@@H]2COCCN2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1574582762 QMFXELPHVLQCEU-CABCVRRESA-N 396.517 -0.130 30 20 GBED C#CCCCCCC(=O)N[C@@H]1CN(C(=O)[C@@H](C)OCc2cnn[nH]2)C[C@@H]1O 1574883059 JXEDLUTXRWHEAO-BMFZPTHFSA-N 377.445 -0.019 30 20 GBED C#CCNC(=O)[C@@H](C)N1CCC(N(Cc2cnn[nH]2)C(=O)CCN(C)C)CC1 1574986214 VYIRXYISDBWTST-OAHLLOKOSA-N 389.504 -0.313 30 20 GBED C#CCOCCC(=O)N(Cc1cnn[nH]1)C1CCN(Cc2nncn2C)CC1 1575013156 MUUUQTXNKNXROJ-UHFFFAOYSA-N 386.460 -0.034 30 20 GBED N#Cc1cn(CCC(=O)NCCc2ccc(-c3nn[nH]n3)cc2)c(=O)nc1O 1581877082 PQHCKVIMYIOHBN-UHFFFAOYSA-N 380.368 -0.250 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588351561 ZFDKAMQKUGJCKV-ZFWWWQNUSA-N 382.428 -0.377 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](NC(=O)CSCC#N)[C@@H](O)C2)n1 1591886366 DOIDUDWRCRSDMB-JQWIXIFHSA-N 389.445 -0.722 30 20 GBED C=CCNC(=O)CN1CCN(CCCN2C(=O)CS/C2=C/C(=O)O)CC1 1609398830 LYJOYCKPCJBAAR-LFIBNONCSA-N 382.486 -0.202 30 20 GBED Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(C)(=O)=O)n1 1707603114 RJUZAMHBLAKFNV-ZDUSSCGKSA-N 391.457 -0.074 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1779311642 WVYLFEWKXOPPTF-SIXWZSSISA-N 397.472 -0.442 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 1784481108 HRCDVGHEMYGYDE-QAETUUGQSA-N 389.456 -0.314 30 20 GBED CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786695191 NHLYBSSJVBPWSB-IHRRRGAJSA-N 383.470 -0.295 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/OCC)C2 1792491300 IZLXCWFMUKFJAN-ZBKQYVFLSA-N 377.441 -0.015 30 20 GBED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795077562 PBYVIVWKTRMRNI-QVHKTLOISA-N 396.444 -0.625 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nccn1 1799408774 FCHBZPQAUKTWNM-MIFYACCESA-N 389.460 -0.850 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(=O)OC)CC1 1800553061 FISVCJUCYANDOK-XQLPTFJDSA-N 378.425 -0.433 30 20 GBED C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807056798 WJJJMBSHSPPPKS-ATVPRXPUSA-N 393.513 -0.002 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2 1831022902 DDOAJOOMTRSTEV-GOSISDBHSA-N 379.413 -0.692 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1831391175 JJVAFUBIRKKINU-HNAYVOBHSA-N 390.440 -0.472 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837800049 PSPVVCAXOQXMAF-QGZVFWFLSA-N 391.384 -0.199 30 20 GBED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840156080 IAHZXNXGZDHGSY-IFIJOSMWSA-N 387.502 -0.324 30 20 GBED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1840294846 OXHOTOHFMVKNKH-OXQOHEQNSA-N 391.468 -0.228 30 20 GBED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843350995 WYZMOZRTVXRJNA-UONOGXRCSA-N 393.488 -0.608 30 20 GBED CCOC(=O)CN(CC(N)=O)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 268802142 BJKOFAHIGKAZPN-NSHDSACASA-N 396.425 -0.898 30 20 GBED Cn1c(N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)c(C#N)c(=O)n(C)c1=O 274093084 AKOYRJSJEOVNTE-INIZCTEOSA-N 397.435 -0.162 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(O[C@@H]2CCN(C)C2=O)cc1C 281501738 QRQJCUAKZYXGNO-OAHLLOKOSA-N 388.424 -0.039 30 20 GBED C#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)NC)CC2)c1 298041909 DIXFHKRJRCCDPU-UHFFFAOYSA-N 380.426 -0.755 30 20 GBED N#CCOc1ccccc1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 299111015 XTXRVHVBQLLGAJ-UHFFFAOYSA-N 386.408 -0.268 30 20 GBED C/C(O)=N/C[C@@H]1CN(/C(O)=N/CCS(=O)(=O)N2CCSCC2)CCO1 329408006 COXBGPROVWAKSM-CYBMUJFWSA-N 394.519 -0.044 30 20 GBED C[C@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCN1c1nccn2cnnc12 409514255 ASXGPXAKYCGARV-QWHCGFSZSA-N 392.445 -0.896 30 20 GBED C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)NCC(=O)NCC#N)CC2)C1 511916310 LVWAOAWFBXNEHP-GJZGRUSLSA-N 378.477 -0.542 30 20 GBED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(C)c1=O 512720837 PDUHOKPFZLXQHR-CYBMUJFWSA-N 387.465 -0.539 30 20 GBED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H](O)COc1ccc(C#N)cc1 514317402 JGZYGVDLDOBRLV-HZPDHXFCSA-N 395.481 -0.077 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc1 518019497 PWXXYLHUGLFGJC-ZDUSSCGKSA-N 376.438 -0.036 30 20 GBED N#Cc1cccc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)n1 519825315 LKWQBWLPCFUMAU-CYBMUJFWSA-N 395.441 -0.504 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCn2ncnn2)cc1 540305925 BWKFXWUYRWYAPY-UHFFFAOYSA-N 393.429 -0.766 30 20 GBED N#CCN(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)NC2(C(N)=O)CC2)cc1 570060935 YDOFRYXNHVZZQF-UHFFFAOYSA-N 398.466 -0.341 30 20 GBED C[C@H]1CC[S@](=O)CCN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N 574099998 RJKRBAUCNITMDX-YTEVENLXSA-N 399.560 -0.229 30 20 GBED C[C@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 575935392 RQNOPFDNAYKVPJ-RKFFSXRUSA-N 393.512 -0.124 30 20 GBED C[C@@H](C[S@](C)=O)NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 589059949 LCAPPIZUZNMLRT-RNUGCUGFSA-N 393.469 -0.045 30 20 GBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 592914057 BOUGUDKIYBFNFD-IACUBPJLSA-N 395.437 -0.393 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)CC2)nc1 595266546 UFKKAIGSUCOMIM-HOTGVXAUSA-N 383.456 -0.125 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)c1 598769575 FGATUJZLOROVKO-UKRRQHHQSA-N 376.438 -0.036 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC(C)(C)NS(C)(=O)=O 610684127 SHELNKPRAYZGPE-LBPRGKRZSA-N 395.489 -0.104 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC1 735382337 YXCVPQAUUYQPML-UHFFFAOYSA-N 381.440 -0.307 30 20 GBED C[C@@H](CC(=O)N1CCN(CC(N)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742589176 GOIYZGNSCPZSOL-LBPRGKRZSA-N 393.469 -0.867 30 20 GBED C#CCNC(=O)C1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)CC1 747849899 HKAFPXHBFIKMCS-UHFFFAOYSA-N 399.494 -0.255 30 20 GBED N#Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c1 768728047 AQUDQHZIXUVQHT-UHFFFAOYSA-N 376.398 -0.412 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)CCO1 800101878 YGEAFCUGUPAWHP-CQSZACIVSA-N 395.441 -0.507 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)c1 804059892 KRQMMQLGKDEECN-IRXDYDNUSA-N 398.467 -0.419 30 20 GBED C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 804947317 CUOGDWYXZBPSTE-GASCZTMLSA-N 393.531 -0.299 30 20 GBED C#CCNC(=O)CN1CCN(CCS(=O)(=O)CC(=O)OC(C)(C)C)CC1 808718586 WLWQGQZSLIJXAQ-UHFFFAOYSA-N 387.502 -0.890 30 20 GBED CC(C)(C)OC(=O)N1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)[C@@H](C#N)C1 819933352 OKKTZMJNZSLMSI-JTQLQIEISA-N 388.392 -0.570 30 20 GBED COC[C@]1(C(=O)O)CCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 843332611 VMSLZSIYNVAAKL-INIZCTEOSA-N 381.410 -0.071 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 844202836 OXOWXRPBVUQWEO-BDJLRTHQSA-N 395.441 -0.058 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](O)[C@H]1C 848955830 FRAZWAKOVQQVJH-ZIAGYGMSSA-N 397.478 -0.022 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCOC1 848956825 SZPYLOZWJNBARN-ZDUSSCGKSA-N 383.451 -0.099 30 20 GBED C=CCN(CC=C)C(=O)COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914653204 OYVLYTIDUVAXGK-KBPBESRZSA-N 384.454 -0.234 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@@H]1O 964615493 VNVUVSCOSLDJKE-WCVJEAGWSA-N 375.425 -0.483 30 20 GBED C[C@@H]1CCO[C@@H]1C(=O)N1CCN(c2ccc(C#N)nn2)[C@H]2CS(=O)(=O)C[C@H]21 1054788432 XVQPSIXUHOMPJD-UJDVCPFMSA-N 391.453 -0.413 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CC2(C1)CS(=O)(=O)C2 1109447505 QFYPUKMBFMFQEV-ILXRZTDVSA-N 379.482 -0.718 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(C)(C)CN1CCOCC1 1110714626 ASQKHBXBZMIFJV-ZACQAIPSSA-N 376.501 -0.184 30 20 GBED CS(=O)(=O)NC1(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCCCC1 1118145440 NMDAEFBCTUTASJ-MRXNPFEDSA-N 386.474 -0.768 30 20 GBED N#CCCN1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 1152068229 JNGKTECGRIXGSY-OAHLLOKOSA-N 375.404 -0.143 30 20 GBED C#CCOCCNC(=O)C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O 1261142200 RTOCVKDCDDCDTI-MRXNPFEDSA-N 389.408 -0.309 30 20 GBED COC(=O)N1CC(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1324082044 LDZSECDHWFWNQW-MRXNPFEDSA-N 385.424 -0.210 30 20 GBED CN1CCC(N2CC[C@@H](N(C)C(=O)C(=O)N3CC[C@@](O)(CC#N)C3)C2)CC1 1328424308 AFDOWQJBKVMIKT-APWZRJJASA-N 377.489 -0.510 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 1328716707 ORNCVRQBYHSNMK-WMLDXEAASA-N 380.489 -0.247 30 20 GBED C=CCN(C(=O)C(=O)NCC1CCN(S(C)(=O)=O)CC1)[C@@H](C)COC 1328882932 CJDKNUIZQSBHIV-ZDUSSCGKSA-N 375.491 -0.176 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 1331244869 GCTZOCPNGORMNC-UONOGXRCSA-N 382.442 -0.001 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 1331626831 AFPNLIMENSBRQP-UHFFFAOYSA-N 376.417 -0.961 30 20 GBED COCCNC(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O 1343335791 NXNPAACESQRBRY-HNNXBMFYSA-N 386.408 -0.203 30 20 GBED CN1CC[C@](O)(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)C1 1554357942 JHMAWUJUPDHZQI-QZTJIDSGSA-N 391.451 -0.091 30 20 GBED C#CC1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 1588333567 XGNZESDYEUTRAF-UHFFFAOYSA-N 390.425 -0.868 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[nH]n4)n3)C[C@H]2O)nc1 1588368165 QWNSIVPHQXQPEL-IUODEOHRSA-N 391.395 -0.597 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1 1588500102 QQOCODBJKLDAPO-SJCJKPOMSA-N 375.433 -0.156 30 20 GBED C=CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](OC)C1 1588657207 HWRNGKKLUCQJND-LERXQTSPSA-N 388.432 -0.686 30 20 GBED CS(=O)(=O)CCCn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1 1620162640 SZTKQTIKEOTRME-GFCCVEGCSA-N 377.430 -0.101 30 20 GBED CN1CC[C@](O)(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)C1 1767515417 NVERUXSMDYRIQK-KBXCAEBGSA-N 389.460 -0.804 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1780432374 QRIVAINFOVMWOI-KUHUBIRLSA-N 390.440 -0.090 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)c1 1780598709 CTHXHJVRRBXSIO-ZWOKBUDYSA-N 384.436 -0.275 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)cc1 1780699055 QIGAIDAWIYWSBM-ABSDTBQOSA-N 384.436 -0.275 30 20 GBED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786803734 YJXCRFWQCPMLMW-QAETUUGQSA-N 392.500 -0.248 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nnc2ccccc21 1793714372 WYGUGGIQULSDKQ-DBWKPXFBSA-N 397.391 -0.891 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncnc1)C2 1795597778 DRBIBGVQNQPYOL-MUJYYYPQSA-N 386.456 -0.038 30 20 GBED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCNC2=N)C3)c1 1798859331 HPWSQEGOBWILEI-ALXJQNPVSA-N 396.451 -0.399 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cccnc13)C2 1800777121 FBHSUHFVGZKVKT-DRXBFXEBSA-N 383.364 -0.980 30 20 GBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1800987709 VNEBXFLGZYDASF-YYHMBLRTSA-N 382.442 -0.531 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cc(O)n[nH]2)[C@@H]1c1cccnc1 1807290533 WLBHMMYYTQKDNU-SJCJKPOMSA-N 383.364 -0.082 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1830598935 HXVSZVUPACZMIU-FOIQADDNSA-N 394.468 -0.005 30 20 GBED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)Cc3ncccn3)CC2)CC1 1833878618 NIEVLZGKCGNWML-UHFFFAOYSA-N 399.451 -0.321 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834167808 AJYKAWLBCOZTJX-KXBFYZLASA-N 390.440 -0.472 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1835353947 GXPPFTFXHLPGCO-GOSISDBHSA-N 390.396 -0.541 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835435242 OEOMGUBSOCJDQK-KBXCAEBGSA-N 398.460 -0.668 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc(OC)c3OC)C2)C1 1839809669 GJIZPXVNWZEICP-IBGZPJMESA-N 389.408 -0.198 30 20 GBED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1840296014 QCWYRQAXWWCHFU-SFHVURJKSA-N 380.445 -0.695 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1840844593 DKROHMSXMNOFDT-SFHVURJKSA-N 375.429 -0.462 30 20 GBED NC(=O)[C@@H](N)CCC(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844258702 JOEYTRNKAAQXEB-FVUPAENESA-N 378.477 -0.746 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 264176266 MVGAZHWPNSKFJH-HOTGVXAUSA-N 388.468 -0.555 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)CC1 268663510 IXHJJXVZRLURML-SFHVURJKSA-N 393.513 -0.299 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCS(=O)(=O)CC1 273150151 QULRRZFQMVNOHT-UHFFFAOYSA-N 381.410 -0.221 30 20 GBED CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC#CCO)n2C 282836733 DYVXHPJFCGOWMK-UHFFFAOYSA-N 378.454 -0.132 30 20 GBED CN(CCN1CCOCC1)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 377952156 UNJBDUBIFWLQEH-UHFFFAOYSA-N 383.412 -0.132 30 20 GBED C=CCNC(=O)CNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 441084586 BQKVGSOKRCWBAO-UHFFFAOYSA-N 376.385 -0.156 30 20 GBED COCCn1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cn1 465418637 CRNLSGBJLZKXRT-ZDUSSCGKSA-N 398.427 -0.133 30 20 GBED CN(CCC#N)S(=O)(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 498559872 MTXPRUUDHJZBMJ-UHFFFAOYSA-N 380.474 -0.200 30 20 GBED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CC1 502296289 YTRNMOHSPPLNCO-HZPDHXFCSA-N 396.451 -0.129 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(C(N)=O)n1 504660847 MQZQIDBDEWMSSG-LLVKDONJSA-N 394.395 -0.482 30 20 GBED COc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1N1CCCCC1=O 508995192 KQIMMOQEYQTXAN-UHFFFAOYSA-N 387.396 -0.093 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NCCNS(=O)(=O)CC)c1 509709279 BHJVVRYJAKOIFG-UHFFFAOYSA-N 375.472 -0.180 30 20 GBED Cc1nn2c(SCC(=O)N3CCN([C@H](C#N)C(C)C)CC3)n[nH]c2nc1=O 537072143 UQAIWMBHALBBMA-GFCCVEGCSA-N 390.473 -0.095 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)NC2(C(N)=O)CCC2)c1 594630010 XVYXBYQFNHAVNW-JTQLQIEISA-N 386.455 -0.437 30 20 GBED N#CCNC(=O)CN1CCN(c2ncc(I)cn2)CC1 602954809 IPISLCCOBPBDBK-UHFFFAOYSA-N 386.197 -0.157 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CC(N)=O 608911175 ORCJZOVCONSVJT-UHFFFAOYSA-N 396.472 -0.183 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)O)ccc2F)CC1 736078555 BJRPVRIWAKGJFX-UHFFFAOYSA-N 397.428 -0.030 30 20 GBED N#CC(C#N)=c1sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c(=O)n1CC(N)=O 739831920 PRPBBARSRLDJDK-UHFFFAOYSA-N 389.780 -0.017 30 20 GBED COCCCNC(=O)[C@@H](C#N)C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 741430260 JHQAVZRIUPBBEO-ZDUSSCGKSA-N 396.444 -0.073 30 20 GBED C[C@](C#N)(NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C1CC1 745478993 PXCBKYAWADHDIS-NJTOFLHLSA-N 375.381 -0.500 30 20 GBED O=C(C#Cc1ccc2c(c1)OCO2)NCCNS(=O)(=O)Cc1ccon1 762239528 DEXLZACQIQZRHO-UHFFFAOYSA-N 377.378 -0.009 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 787787985 STQGAYZLPIEETC-CQSZACIVSA-N 385.428 -0.456 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1)[C@H]1CCCO1 809312854 QEQAOVHEGJMEBK-JKSUJKDBSA-N 378.473 -0.704 30 20 GBED C=CCC1(S(=O)(=O)NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 810985707 QWBNYHKLILEHOG-NWDGAFQWSA-N 390.483 -0.423 30 20 GBED Cn1cc(S(=O)(=O)NN=C2Cc3[nH]c4ccccc4c3C2)c(=O)n(C)c1=O 814883733 YKAYECWFOXFQOY-UHFFFAOYSA-N 387.421 -0.002 30 20 GBED Cc1nn(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c(=O)c(-c2nn[nH]n2)c1C 826334148 JUUJKZMCQTWPFL-AWEZNQCLSA-N 399.459 -0.267 30 20 GBED C#CC[C@@H](CCOC)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 858857022 OLLJDQFJGFXMKH-YRGUDCOPSA-N 377.401 -0.722 30 20 GBED Cn1cnc2c1c(=O)n(CC(=O)[C@H](C#N)C(=O)Nc1ccccc1)c(=O)n2C 916900274 XPABCLMPHYWSOQ-LBPRGKRZSA-N 380.364 -0.219 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(C)(=O)=O)nc2)CC1 932036465 DWZQXAXWNFNKIZ-UHFFFAOYSA-N 378.454 -0.618 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)c3ccc(C(N)=O)[nH]3)C[C@@H]21 960974151 BWLWYFMPYNQVFW-IPOQPSJVSA-N 388.424 -0.244 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@@H]1O 964610466 DIVWMUZDOAJEDR-WCVJEAGWSA-N 375.425 -0.332 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1O 1023940159 ZLMXZLAEZVLOFR-LHHMISFZSA-N 381.473 -0.622 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC[C@@H](C)O2)[C@@H]2CS(=O)(=O)C[C@@H]21 1108482248 YLHAKQBFXQBOQK-LXTVHRRPSA-N 385.486 -0.834 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc2c(=O)[nH]c(C)cn2n1 1109560682 MKIUHHKSKVTGDS-IPYPFGDCSA-N 382.424 -0.584 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)C1 1118158553 WXFTVAPOJXZKMO-IINYFYTJSA-N 376.335 -0.467 30 20 GBED Cn1cncc1[C@@H]1C[C@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2CNCC#N)n[nH]1 1130237858 GUELTXTWIMFBFC-JLNYLFASSA-N 384.444 -0.056 30 20 GBED COCC#CCN1CCS(=O)(=O)[C@H](CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1230477205 LMHHWOYXDAVRFY-ZXXIGWHRSA-N 396.509 -0.335 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)CCN1C[C@H](C)O[C@H](C)C1 1261181254 SIZJECLGQIUNKJ-OKILXGFUSA-N 375.491 -0.729 30 20 GBED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC3(C#N)CC3)cn2)C[C@@H](C)O1 1322501462 MRGPFUWMTZHJTB-BETUJISGSA-N 388.428 -0.123 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CC[C@@H]2OCCC[C@@H]2C1 1323420571 NJQUMVCSXLNABO-OBWZAWMFSA-N 376.413 -0.344 30 20 GBED Cn1cc([C@@H](O)C[C@@H]2CCCN2C(=O)C(=O)NC2CCN(CC#N)CC2)cn1 1326505332 FWPPBWOQSNHICK-IRXDYDNUSA-N 388.472 -0.061 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1C[C@H](C)[C@](C)(CO)C1 1327351646 GEDDGXVURWGOFV-KSMMKXTCSA-N 386.456 -0.138 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1Cc1ccon1 1327855873 WYNPXXQQBITDLO-UHFFFAOYSA-N 384.421 -0.763 30 20 GBED N#CCNC(=O)CNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 1329567068 AEYZJYOEYUJISP-UHFFFAOYSA-N 379.423 -0.332 30 20 GBED N#Cc1c[nH]c(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 1330808557 KPTVWIOTLIOWLN-ZDUSSCGKSA-N 380.426 -0.626 30 20 GBED C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1340656871 IOAVYNMXRCUFJU-ZIAGYGMSSA-N 382.428 -0.213 30 20 GBED N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)N2CCOCC2)C1 1521063525 SOGQSSSCTYBGMX-SJKOYZFVSA-N 391.407 -0.470 30 20 GBED C=C[C@](C)(O)CC(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575072588 KJQCNMNHWUQOGM-YJBOKZPZSA-N 376.461 -0.235 30 20 GBED C=CCN1CC[C@@H](N2CCOC[C@H]2CNC(=O)CCCc2cnn[nH]2)C1=O 1575103942 KTNWQSZSKCEZAD-HZPDHXFCSA-N 376.461 -0.269 30 20 GBED C#CCNC(=O)CNC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588354761 YTEZPEUTUMGPIS-IUODEOHRSA-N 384.444 -0.226 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 1588357936 QTTXWOXDIXQDMY-PXAZEXFGSA-N 386.416 -0.594 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCCO1 1588505839 YIWZFFAEGNAUMF-PXAZEXFGSA-N 388.432 -0.305 30 20 GBED C#CCN1CCN([C@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C(=O)C1 1602722521 WCLBDEVXUYVVHW-AWEZNQCLSA-N 382.428 -0.423 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O 1602726014 BQAXUGDMVHXQKT-IUIKQTSFSA-N 388.403 -0.295 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)N1CCO[C@H](CN)C1 1602854128 VFBATWUIIVWHEL-OAHLLOKOSA-N 385.428 -0.433 30 20 GBED COCCN(CC#N)C(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 1605094909 LDNBHYAFYHSDQC-UHFFFAOYSA-N 378.414 -0.220 30 20 GBED CO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1605147483 UVFNXMFWPXXGRO-ZIAGYGMSSA-N 395.383 -0.336 30 20 GBED Cn1c(O)nc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1=O 1654951093 UXYJRHORSLUFHN-UHFFFAOYSA-N 375.410 -0.132 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncc(Cl)cn1)CCO2 1783561578 ZOAMUPDSEHNCCL-MRXNPFEDSA-N 378.772 -0.339 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1[nH]nc3ncccc13)CCO2 1783562237 JRGFCBZABNSZJG-SFHVURJKSA-N 383.364 -0.511 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1783562247 KFGFOJFMLUTBNY-GOSISDBHSA-N 383.364 -0.511 30 20 GBED NC(=O)c1ccccc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783562768 GXIXFXOLWNULQX-IBGZPJMESA-N 385.376 -0.683 30 20 GBED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCO2 1783906484 FHEAVTJNJREPPM-LPHOPBHVSA-N 379.457 -0.229 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784112492 PJYYDNLCFLENGS-LIRRHRJNSA-N 391.424 -0.668 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21 1784478276 YGWZGNBMSQNKIB-YTFOTSKYSA-N 379.413 -0.887 30 20 GBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1 1786792487 UQSQSDLFLLKCCP-IHRRRGAJSA-N 387.373 -0.896 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(Cl)nn3)[C@H]2C1 1788837797 FWZSQNZOQNQSEL-GVXVVHGQSA-N 392.799 -0.189 30 20 GBED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2nccn2)C3)cc1 1792560115 AIHVWLMYWLBCAM-XEMDLRDOSA-N 394.435 -0.018 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)[C@@H](O)C=C 1797713728 XLDVOMADYONMGP-LFYQSXPISA-N 393.484 -0.160 30 20 GBED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830050155 KQEXWRDGXVOBMH-UGSOOPFHSA-N 380.445 -0.496 30 20 GBED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1831209136 IMPLAHWALZHTER-IBGZPJMESA-N 386.408 -0.334 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C)[nH]3)C2)C1 1831388493 YYIGYWIGDFXBNE-LIRRHRJNSA-N 390.440 -0.174 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1831435110 LQPAOAMKDRLQLL-MAUKXSAKSA-N 393.444 -0.674 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C#Cc1ccccc1)CCO2 1835101525 FKTOFOYDQGCQBR-NRFANRHFSA-N 396.399 -0.418 30 20 GBED CC[S@@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835344619 MMYBUFOSABHNGD-XRHLQHRESA-N 397.497 -0.095 30 20 GBED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1837693420 QSHDLXVBYPQTAI-MGPUTAFESA-N 389.452 -0.453 30 20 GBED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN)C2)C1 1840818866 CACZAHQVEAFOFI-LJQANCHMSA-N 388.424 -0.648 30 20 GBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)nc3cccnn23)C1 1844672665 DBUMCJZIIOHXSS-CQSZACIVSA-N 395.419 -0.055 30 20 GBED Cn1cnc2c1c(=O)n(CC(=O)[C@H](C#N)C(=O)Nc1ccccn1)c(=O)n2C 138909030 LEWSEKJZUNIJHP-JTQLQIEISA-N 381.352 -0.824 30 20 GBED CN(C)C(=O)C/N=C(/NCC(=O)N(C)C)N1CCN(c2ncccc2F)CC1 262289820 LAJGWMJMYBSINJ-UHFFFAOYSA-N 393.467 -0.535 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 268738316 QUWFDJHHKBAOCR-DGCLKSJQSA-N 385.467 -0.129 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 282251419 FUOIPDYBXGSNBX-GHMZBOCLSA-N 381.501 -0.049 30 20 GBED C#CCNc1nc(NCCNC(=O)N(C)C)nc(NCCNC(=O)N(C)C)n1 286628751 WKFUGGIZIOETQC-UHFFFAOYSA-N 392.468 -0.717 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 294562196 WQUBKYRMEFVJNN-LBPRGKRZSA-N 392.437 -0.273 30 20 GBED O=C(CC/N=C(/O)N1CCN(C(=O)CN2CCOCC2)CC1)N1CCCCC1 328780062 JBFHXTUSNYHMMP-UHFFFAOYSA-N 395.504 -0.221 30 20 GBED Cn1c(=O)nc(O)c2cc(C(=O)N3CCN(C/C(O)=N/C4CC4)CC3)cnc21 329344568 CMKYRCCNVWHKDJ-UHFFFAOYSA-N 386.412 -0.089 30 20 GBED CCS(=O)(=O)N(C)CCC/N=C(/O)N[C@H]1CCCN(S(C)(=O)=O)C1 330437813 OADOVEQPXKKFDY-LBPRGKRZSA-N 384.524 -0.414 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2C[C@H](O)C[C@H]2C)c1C#N 349462245 LDXCHNWUUFZQGA-MWLCHTKSSA-N 391.475 -0.494 30 20 GBED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)C(C)(C)C1 349470973 ZDSHILWUTFYWBV-STQMWFEESA-N 381.520 -0.123 30 20 GBED CN1CCN(S(=O)(=O)CCCCS(=O)(=O)N[C@]2(C#N)CC2(C)C)CC1 349584489 KTLALZCOKUMNJV-HNNXBMFYSA-N 392.547 -0.045 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC(=O)[C@@H]2c2ccccc2F)C1=O 368431727 GGDSYVLQYUZVSA-AWEZNQCLSA-N 388.355 -0.198 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)CC(=O)NC(C)C 460610356 ZFCQDQUEIUAHIU-UHFFFAOYSA-N 383.412 0.369 30 20 GBED CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 463425570 UTOPHMCFDUNFFW-UHFFFAOYSA-N 379.504 -0.008 30 20 GBED CN(CC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)S(=O)(=O)c1ccc(C#N)cc1 470235970 FDWMNZICJNLMDK-GXTWGEPZSA-N 380.426 -0.672 30 20 GBED COc1cc(C#N)ccc1OCC(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 516317753 QBQUQZIQTRTKGL-ZDUSSCGKSA-N 395.437 -0.293 30 20 GBED C=CCOC[C@H](NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)C(=O)OC 584564676 VDYUFYPIJNQMIL-NSHDSACASA-N 378.385 -0.950 30 20 GBED C[C@H](O)CN(C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1)[C@H](C)CO 590993214 JCOKADFSPKUGHQ-KGLIPLIRSA-N 375.429 -0.808 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)CC1 728533566 OIVMCTZTYZIALF-UHFFFAOYSA-N 384.358 -0.239 30 20 GBED C#CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1 731127190 XWYNWXHHHVEPJN-UHFFFAOYSA-N 394.453 -0.412 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)oc2C)CC1 754803159 OUAUWPINSOTCFY-UHFFFAOYSA-N 383.426 -0.570 30 20 GBED Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(=O)n(C)c1=O 756896098 ZCDMKBDIKKJHNP-CMPLNLGQSA-N 377.401 -0.427 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)NCCc2ccccc2)CC1 761023238 FOWMZMHPMCYUDR-MRXNPFEDSA-N 378.498 -0.181 30 20 GBED N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCN1CCCS1(=O)=O 761080255 LSZHBOXGTFDIPX-UHFFFAOYSA-N 384.389 -0.182 30 20 GBED COCCCNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767678429 CIYCDJCMIIBHBJ-LBPRGKRZSA-N 383.426 -0.079 30 20 GBED CN(C)c1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1F 771892063 XCNQOLQHZHEEHU-UHFFFAOYSA-N 383.405 -0.399 30 20 GBED COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 783494621 FUIDIORLZDZUDS-OLZOCXBDSA-N 376.417 -0.265 30 20 GBED COc1ccc(NC(=S)NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)cn1 807970011 RWBFRAJCXRXPJP-UHFFFAOYSA-N 391.457 -0.126 30 20 GBED C#C[C@@H](NC(=O)C(=O)N(CCO)CCNC(=O)OC(C)(C)C)[C@@H]1CCCO1 809312308 MICWBNLJLWIAIJ-KGLIPLIRSA-N 383.445 -0.371 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)OCCN2C(=O)N[C@@H](C)C2=O)c1 837397430 HHAWYJYISODRCN-NSHDSACASA-N 379.394 -0.305 30 20 GBED CCc1nc(C#N)cc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)n1 853397256 ZMDFHGHEERUXNL-ZDUSSCGKSA-N 399.498 -0.450 30 20 GBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2CCOCC2=O)c1 997561317 UWEBCDNJGWEEMD-IKGGRYGDSA-N 382.420 -0.217 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C1 1023867489 DJCXEYHBVFNUME-SYQHCUMBSA-N 392.460 -0.750 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)CN(C(=O)CC(N)=O)[C@@H]1COC[C@@H]12 1026105326 XGFPWTXLBIQWBV-QXSJWSMHSA-N 391.468 -0.081 30 20 GBED C#CCOCCC(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1080926481 RUNJDRWDRPPWHS-OCABDXPQSA-N 376.453 -0.081 30 20 GBED CCC(=O)N1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)C1 1110585086 XJLSQIOTRGKEKZ-JJXSEGSLSA-N 375.473 -0.004 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCC(=O)NC1 1110751658 ZNTVFNDNPWJKNE-DGAVXFQQSA-N 377.445 -0.754 30 20 GBED C=CCN(C(=O)COCC(=O)NCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1115999660 FQMNDGLJPCRZEU-HNNXBMFYSA-N 381.454 -0.084 30 20 GBED CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1 1257383445 VJDWLZSVHSPWOI-WCQYABFASA-N 380.426 -0.477 30 20 GBED Cn1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)n1 1298843573 ZURVVXASLOFWRL-OCCSQVGLSA-N 391.457 -0.309 30 20 GBED N#CCN1CCC(CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 1319325233 KDEVNSBJBWWUCX-UHFFFAOYSA-N 377.426 -0.270 30 20 GBED CN1CCC(O)(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 1319396998 YHAMRSDSAZZTAQ-UHFFFAOYSA-N 397.439 -0.291 30 20 GBED C[C@@H](N)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)CCO1 1325719250 WPGZXAXYESLCMN-DYVFJYSZSA-N 389.431 -0.079 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1 1327480749 SNXUDOAMVCZRTE-AWEZNQCLSA-N 396.469 -0.012 30 20 GBED COc1cccc(NC(=O)[C@H](C#N)C(=O)CN2CCN(S(C)(=O)=O)CC2)c1 1342595380 KSPYROXEZJWDBT-OAHLLOKOSA-N 394.453 -0.080 30 20 GBED N#Cc1ccccc1N1CCCN(C(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)CC1 1344687626 UTILURDXWQHJSA-MRXNPFEDSA-N 385.424 -0.690 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCc2ccccc2NC1=O 1346568117 YCPYYNDYMBRHMT-AWEZNQCLSA-N 379.438 -0.227 30 20 GBED CCn1nc(C)c(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1 1349037582 RLROKDIBBVFRIS-UHFFFAOYSA-N 382.428 -0.162 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C1 1349354021 BOEUMLKBYMVMKD-MRXNPFEDSA-N 383.470 -0.177 30 20 GBED C=CCn1c(C[S@@](C)=O)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1356131492 SVYPNKQTWKJKAX-AREMUKBSSA-N 382.490 -0.083 30 20 GBED C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC(=O)N1CCOCC1 1508426844 IRXKTVMSHJCAJA-AWEZNQCLSA-N 389.460 -0.145 30 20 GBED C[C@@H](C#N)C(=O)N1CCN([C@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C2)CC1 1573569639 CQWADDUPHKFYOG-STQMWFEESA-N 382.432 -0.461 30 20 GBED C#Cc1ccc(C(=O)N(C)C[C@@H](C)NC(=O)CC(=O)NCc2cnn[nH]2)cn1 1575023192 ZDDOISYKIOIZNK-GFCCVEGCSA-N 383.412 -0.536 30 20 GBED C=CCNC(=O)CN1CCC[C@@H](CNC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575104938 XQIZLNYXFVXPBT-RDJZCZTQSA-N 389.504 -0.101 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(N(CCO)[C@H]2CCCN(C(=O)[C@H](C)C#N)C2)n1 1580643617 VGCCULIUGGYAAC-YPMHNXCESA-N 385.432 -0.086 30 20 GBED C#CCONC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 1588363427 FQYRLBUNWLUHAE-UHFFFAOYSA-N 390.425 -0.052 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](CC)N=c1cc[nH]c(-c2nn[nH]n2)n1 1588404296 HAXLWZXLZGAYNK-OLZOCXBDSA-N 387.448 -0.144 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCN2CCOC[C@]2(CO)C1 1592664643 GMPKDHNJGNWAAG-VQIMIIECSA-N 397.439 -0.546 30 20 GBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C12CCC2 1602722390 PNIKMGTXRAKYKX-KBPBESRZSA-N 382.428 -0.425 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)c1-c1nn[nH]n1 1609458946 RYZFOVWJUIVCGZ-NSHDSACASA-N 396.419 -0.718 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4[nH]ncc4c3)[C@H]2C1 1788277235 PLSNESLOGDYONY-CQDKDKBSSA-N 397.391 -0.361 30 20 GBED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789766394 ZNQQVEGXPDEOOL-YTFOTSKYSA-N 387.427 -0.100 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C(=O)OC)CC3)[C@H]2C1 1790883326 AQURKHSZTBNVNF-VGWMRTNUSA-N 392.452 -0.042 30 20 GBED CNC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1793284953 KCPJCOHURSKYCQ-VPIUVWKISA-N 396.444 -0.759 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)NCC(C)C)C2 1793342993 DTEAZDMVDJNVCG-LVQVYYBASA-N 379.457 -0.614 30 20 GBED Cn1nncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797740416 IBFRDDRREYKKDD-VSZVZYARSA-N 389.460 -0.510 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)N1CCOCC1 1798484730 JXFUUFKBNHZCNJ-QFXBJFAPSA-N 379.457 -0.687 30 20 GBED O=C(Cn1nccn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c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1806085573 WMPJHAVCMBJQNT-KDOFPFPSSA-N 392.419 -0.026 30 20 GBED CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1830042890 SILGLEWTEATWCR-GOSISDBHSA-N 393.444 -0.982 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1830064486 MBUQCLSUTRCIOV-KRWDZBQOSA-N 399.469 -0.190 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1832461316 SDBHNVRGQZGHFW-KSSFIOAISA-N 397.497 -0.502 30 20 GBED C=C(C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1)C(F)(F)F 1835068010 BBIXUNBYAJUIMU-AWEZNQCLSA-N 391.438 -0.038 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837015276 MPWZMIXQKAOSIM-SFHVURJKSA-N 384.396 -0.287 30 20 GBED Cn1cnc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)n1 1837383611 YCMXOPWVZOLTPK-UHFFFAOYSA-N 389.412 -0.485 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1837397845 WUNYNOZZLOMBAZ-AUUYWEPGSA-N 397.472 -0.896 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccnnc4O)CCO3)C2)CC1 1838369540 QHMCWQCCIAJWHX-SFHVURJKSA-N 387.396 -0.444 30 20 GBED C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840429834 FOAFZKBOHOOPBB-YJBOKZPZSA-N 375.429 -0.111 30 20 GBED COc1ccc([N+](=O)[O-])c(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)n1 1843586715 HLWLPXZBUOKVGW-UHFFFAOYSA-N 388.336 -0.097 30 20 GBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2ccc3nc(CO)[nH]c3c2)C1 1843671725 VQGFEPHWAVMMRV-UHFFFAOYSA-N 382.376 -0.040 30 20 GBED C#CCNC(=O)COC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 7415025 IZAFGHFFOLZIFQ-UHFFFAOYSA-N 383.426 -0.829 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 68329165 BQQSDAXHPWDSSR-GFCCVEGCSA-N 398.261 -0.009 30 20 GBED C[C@H]1[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCS1(=O)=O 293888247 YIRSRVOPOFMDKJ-SUNKGSAMSA-N 385.467 -0.083 30 20 GBED C[C@H](O)CN1CCN(/C(O)=N/CCS(=O)(=O)N2CCSCC2)C[C@H]1C 329817459 FUISRHGJKWBJAO-KGLIPLIRSA-N 394.563 -0.334 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(/C(O)=N/[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 331203815 WTZXDNVKWRUKGA-CYBMUJFWSA-N 381.477 -0.031 30 20 GBED CN1CC[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N)C[C@@H]21 349460198 GIIZFGKWIHWGPA-KGLIPLIRSA-N 389.503 -0.979 30 20 GBED CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)N=c1nc(C)[nH]n1CC 349463929 VUIIXWOMMMAVEY-UHFFFAOYSA-N 377.492 -0.555 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 374593489 MXCQLPBCUFFEET-UONOGXRCSA-N 394.519 -0.408 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)n1 378424940 SDCFWDHGPFMZKP-LSDHHAIUSA-N 388.472 0.506 30 20 GBED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(CC)C[C@H](C)C#N 409544444 SFGCFTVSLQMGNY-OLZOCXBDSA-N 394.519 -0.662 30 20 GBED CNC(=O)N[C@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 410588864 HTSRYNBIDKAQBX-DLBZAZTESA-N 398.467 -0.247 30 20 GBED C=CCn1cc(CNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)nn1 425668156 JBEXJXOHEDBHEL-UHFFFAOYSA-N 399.459 -0.208 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(CC#N)CC2)c1 508070842 MFDGQBQZQXBGPC-UHFFFAOYSA-N 395.485 -0.453 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCn2cnc(C(=O)OCC)c2)C1=O 559249580 GQTUDLFUVXIBHW-UHFFFAOYSA-N 377.357 -0.847 30 20 GBED N#Cc1c[nH]c(=O)n(CC(=O)NCc2ccccc2CN2CCCC2=O)c1=O 574453203 SFRHUPJQMQNQMO-UHFFFAOYSA-N 381.392 -0.153 30 20 GBED CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)c1 585760579 LMFCEQSGSCXEQV-QGZVFWFLSA-N 375.360 -0.353 30 20 GBED N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)n1 593790343 DSELTDGXOLUPDA-UHFFFAOYSA-N 389.441 -0.671 30 20 GBED CCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 747943650 AYCSWURHOMOMNJ-UHFFFAOYSA-N 395.437 -0.029 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)NCc2ccccc2OC)CC1 761033159 STJYDMOYHKUWNA-HNNXBMFYSA-N 394.497 -0.215 30 20 GBED C#CCOCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 819701436 HKJUJYOTWDBUGL-NSHDSACASA-N 379.398 -0.274 30 20 GBED CN(C)S(=O)(=O)c1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)n(C)c1 825875189 CYQFTBZTWJLMLP-UHFFFAOYSA-N 390.389 -0.697 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCCc2n[nH]cc21 848958975 QDYBCBRCSQODIJ-UHFFFAOYSA-N 385.471 -0.329 30 20 GBED COCCNC(=O)[C@@H](C#N)C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 916890463 IBCWXXGBUYGRKY-GXTWGEPZSA-N 375.360 -0.283 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)c1nnc(O)nc1O)C2 1008387959 RLBCHQQTJWURAY-DBYGNECLSA-N 389.412 -0.015 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2ccc(O)nc2=O)n1 1055411505 VFHYHWSYVRKNKM-MCIONIFRSA-N 381.396 -0.155 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCN2C(=O)NC(C)(C)C2=O)C[C@@H]1O 1083790680 WRLVYYPEARFCPQ-MQYQWHSLSA-N 380.445 -0.931 30 20 GBED N#Cc1cccnc1OC1CCC(NC(=O)C(=O)NC[C@H]2COCCN2)CC1 1118925735 WMHSJXHLLVWUJB-PCKAHOCUSA-N 387.440 -0.136 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H](S(=O)(=O)NCC)C1 1322617542 AZWRSDSGFDSSGH-HNNXBMFYSA-N 393.465 -0.145 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1 1323583872 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376.457 -0.872 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@H]2C(NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)[C@@H]2C1 1114587242 JGCNXSRAIPLAPS-CNUKPYSBSA-N 376.457 -0.140 30 20 GBED COCCN(Cc1ccco1)C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1117318505 VPYQLFUOLXCYQV-FOCLMDBBSA-N 390.396 -0.103 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)C1=O 1117423459 TZWMAOVUQCOHRP-RDBSUJKOSA-N 385.486 -0.296 30 20 GBED Cn1nnc(CNC(=O)C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)n1 1118352968 AFQIPWADJXQVEP-UHFFFAOYSA-N 382.428 -0.521 30 20 GBED N#C[C@H](C(=O)C[C@H]1Oc2ccccc2NC1=O)C(=O)N1CCS(=O)(=O)CC1 1122408736 OLWKXTIJBWGMAS-IAQYHMDHSA-N 391.405 -0.258 30 20 GBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1 1196083740 XIVOTSBTIKKYJG-YIKOMLBNSA-N 378.379 -0.131 30 20 GBED COC(=O)c1ccc(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c(C#N)n1 1261558411 GOWIHUAKVWQQCP-LSDHHAIUSA-N 380.426 -0.980 30 20 GBED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCOC2)CCO1 1303003268 DJVDNACZTBXNRL-WOSRLPQWSA-N 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-0.452 30 20 GBED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NC[C@@H](O)CN2CCOCC2)c1 365123557 HJPAWSGGEOKYKD-QZTJIDSGSA-N 386.452 -0.141 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCN(CC(N)=O)CC1 370651170 IYZKZWLRKDXWJP-CYBMUJFWSA-N 393.469 -0.755 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](O)[C@H](N(C)CC(=O)O)C2)c1 435695720 GGEUPHNXLLDURW-HUUCEWRRSA-N 397.453 -0.647 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)nc1 516537415 LONIATKIGDZLIK-UHFFFAOYSA-N 378.458 -0.483 30 20 GBED C=CC[C@@H](CO)CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 548432535 JDZZTOCJNBWZCK-CYBMUJFWSA-N 383.470 -0.033 30 20 GBED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@@H]2CCOC2)c1=O 569659535 VFJRJVOHPFVWDT-LBPRGKRZSA-N 399.476 -0.539 30 20 GBED COC1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC#N)CC#N)cc2)C1 578142720 SHFMTDIGRIUXCO-UHFFFAOYSA-N 384.439 -0.256 30 20 GBED Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(=O)o1 594916836 JZEYRLSAYCCRLD-UHFFFAOYSA-N 391.409 -0.451 30 20 GBED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2)c(=O)n1CC(N)=O 608912033 LBJRGTOOILFGKW-UHFFFAOYSA-N 396.472 -0.043 30 20 GBED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@](C)(C#N)C2)cn1 612267821 HUUDIMJQAKLOBS-GOSISDBHSA-N 389.460 -0.348 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F 646952610 DAAXRLIIKAKNLA-LLVKDONJSA-N 385.417 -0.095 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)/C=C/c2ccccc2-c2nn[nH]n2)CC1 735380132 CKYYXSHOCURCNT-BQYQJAHWSA-N 379.424 -0.227 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@@H](C)c2ccccc2OC)CC1 761025444 UJLBTJUBDJWSTD-HNNXBMFYSA-N 394.497 -0.042 30 20 GBED C#CCCOc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 771897337 LVLOOENDJVJHKU-UHFFFAOYSA-N 390.421 -0.202 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1 785159134 IVGAJIAEHZMOEY-CYBMUJFWSA-N 397.453 -0.296 30 20 GBED COC[C@@](C)(CNC(=O)c1c[nH]c(C#N)c1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 826148471 JJUUUPARKOYRJM-QGZVFWFLSA-N 397.399 -0.041 30 20 GBED COC(=O)[C@H](CC(=O)O)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 831065138 AQNLTBUJNVVRGU-ONGXEEELSA-N 397.409 -0.364 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OCCOC)cc2)CC1 831560750 HFWMINSQEMXAOJ-UHFFFAOYSA-N 381.454 -0.063 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@H](C)N(CCOC)[C@H](C)C2)C1=O 843250669 OWLMTJBHKKLTAD-XHSDSOJGSA-N 380.489 -0.201 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ncc(OC)cn2)C[C@H]1O 1023939414 CAPJSWYUNARWKE-YJNKXOJESA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nnn(C(C)(C)C)n2)C[C@H]1O 1025712017 DDDISJKBLXRJJZ-LPWJVIDDSA-N 378.433 -0.679 30 20 GBED C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](N=c2cc[nH]c(C#N)n2)C1 1039637211 GYMBWGIKEHUOAL-ZWUHOBOKSA-N 384.400 -0.970 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CO)(NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1 1080876853 SHWIYXYPMOBYRZ-FPCVCCKLSA-N 393.484 -0.038 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)c1cccs1 1110062245 MITUGICIYJAUKL-AGIUHOORSA-N 375.454 -0.161 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCNC(=O)[C@H]1CCCO1 1111508956 NDSWCBLKDLWWSW-APIJFGDWSA-N 377.445 -0.967 30 20 GBED C=CCn1c(O)nnc1S(=O)(=O)Cc1ccc(S(=O)(=O)N(C)C)o1 1116849964 CNJIFMXKJIFSKG-UHFFFAOYSA-N 376.416 -0.013 30 20 GBED C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C[C@@H]21 1223165288 ATYXZLOCUYJATA-NLEPDTAZSA-N 375.469 -0.290 30 20 GBED CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 1261541421 JGGCSJCWNXCYBG-CYBMUJFWSA-N 392.437 -0.702 30 20 GBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1317899433 STZGTLZWMFIYNE-JTQLQIEISA-N 399.450 -0.420 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CCNS(C)(=O)=O)cc1 1321794543 VHTPWOWOHWIWQH-UHFFFAOYSA-N 375.472 -0.228 30 20 GBED C=CC1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 1322608202 SGTQLQNFNGDROG-UHFFFAOYSA-N 375.516 -0.094 30 20 GBED CS(=O)(=O)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1323896076 QXLFWFXNYZERAZ-UHFFFAOYSA-N 385.467 -0.239 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC2CCC(C(=O)OC)CC2)CC1 1324435387 XCTTVUXTUUGDAY-UHFFFAOYSA-N 377.441 -0.178 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)nn1 1326701951 MYWKAKPZOZWIDD-ZDUSSCGKSA-N 397.439 -0.426 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@@H]4[C@H](C3)C4(F)F)CC2)c1C#N 1328760728 IKSSSWRWTIVCPA-BETUJISGSA-N 378.383 -0.028 30 20 GBED C=C(CC)CNC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1328943890 YUENKASEVCGITF-UHFFFAOYSA-N 383.474 -0.356 30 20 GBED Cn1cc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cc(Br)c1=O 1329302213 OENXGXLKPCNSCI-CQSZACIVSA-N 383.202 -0.037 30 20 GBED COC(=O)CCN1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)[C@@H](C)C1 1330436805 SGMSABMQEBSFSC-GOEBONIOSA-N 391.472 -0.719 30 20 GBED C=CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)O 1339860760 CCVHODPYVZFMPA-CYBMUJFWSA-N 383.426 -0.070 30 20 GBED C=CCn1c(CNS(=O)(=O)CC)nnc1N1CCN([C@H]2CCOC2)CC1 1342413257 DPMBBUIGIOUZAW-AWEZNQCLSA-N 384.506 -0.186 30 20 GBED COC(=O)[C@@H]1CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@H]1C 1346278929 XXSOQWSLKDSMFD-BYIBELNISA-N 378.385 -0.961 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CCCN([C@H](C)C(=O)NCc3cnn[nH]3)C2)nn1 1575112155 PWXBHEIOHFTYMW-CHWSQXEVSA-N 387.448 -0.519 30 20 GBED N#Cc1cc(C(=O)NCC[C@@H]2CN(Cc3cnn[nH]3)CCS2(=O)=O)c[nH]1 1577712411 LZRAQJFZNDNCPX-CQSZACIVSA-N 377.430 -0.576 30 20 GBED C#CCCN1CCC(NC(=O)CCn2cc(-c3nn[nH]n3)c(O)nc2=O)CC1 1588346259 FRFHFQCKPNRBLE-UHFFFAOYSA-N 386.416 -0.877 30 20 GBED C#Cc1ccc(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cn1 1588368264 RWSXXNBUNJKUJG-LBPRGKRZSA-N 380.368 -0.908 30 20 GBED COCC#CCN1CCO[C@]2(CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 1591362044 QWBMACKYMVUQTC-GOSISDBHSA-N 385.428 -0.239 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](Cc2ccccc2O)C(=O)O)C1=O 1602894613 NQIUGMSGLWRZDM-NSHDSACASA-N 375.337 -0.519 30 20 GBED C=CCOC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)C(=O)O 1602913039 HARIRJZNEFIKFT-NSHDSACASA-N 388.398 -0.314 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777824858 AICQZMHXWVKLRE-AUUYWEPGSA-N 398.423 -0.394 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)ncn3)C2)C1 1779819932 UXCWEMBFJWSJER-MRXNPFEDSA-N 378.772 -0.339 30 20 GBED COCc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1780079294 QRHVCFVPIBSCFY-GOSISDBHSA-N 375.381 -0.307 30 20 GBED Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)nc2nccn12 1783563519 SLCKWLMCRCGKDV-LJQANCHMSA-N 397.391 -0.431 30 20 GBED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN(C)C(=O)C(=O)O)CCO2 1783909639 VVTWIZUKZAETNF-GOSISDBHSA-N 379.413 -0.837 30 20 GBED CS(=O)(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1784746006 FLQNERXHXZBINJ-KRWDZBQOSA-N 394.453 -0.235 30 20 GBED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786707239 DJMFKAXDBRTXIT-WZTLGTBRSA-N 381.429 -0.114 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccc4nc[nH]c34)[C@H]2C1 1787357574 OOCBBBOXEBZMGQ-OBJOEFQTSA-N 397.391 -0.361 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(C)n3)C[C@@H]21 1788571237 CUCSOWLWLZRHHE-ZQDZILKHSA-N 391.472 -0.019 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)[C@H](C)CC)C2 1792484842 WXFNKXIUHJAPNK-WYVRYXJRSA-N 393.484 -0.159 30 20 GBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CS(C)(=O)=O 1793371619 PVGYMAFEVPKLEB-RXGFPQBGSA-N 378.516 -0.425 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ccccn3n1)C2 1800778373 QGCQGQBUFLGCOF-IVWMJMPLSA-N 382.376 -0.375 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc(O)nn2)[C@@H]1c1cccnc1 1812876792 XEMWRLSVDPEKRN-SCLBCKFNSA-N 395.375 -0.015 30 20 GBED CN(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1835386461 KMDJDXMEPAKBFM-LJQANCHMSA-N 389.456 -0.092 30 20 GBED CO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447445 OSLUECFPAGMNED-SKNUIBKYSA-N 396.488 -0.051 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1839842721 FFBAXELMWLXYRW-FZKQIMNGSA-N 378.429 -0.469 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2 1840182010 TUVKRGAXZRSMOV-QZTJIDSGSA-N 384.429 -0.365 30 20 GBED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)[C@@H](N)CCC(N)=O)C1 1842881867 ASZPATBKSISDAH-HNNXBMFYSA-N 399.451 -0.267 30 20 GBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCNC3=O)C1 1843997937 UOSBHKSOEANXPK-CQSZACIVSA-N 399.451 -0.128 30 20 GBED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1845440071 OMNXKKCHOJSJHA-CYBMUJFWSA-N 381.385 -0.879 30 20 GBED C=C(C(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2)C(F)(F)F 1846015003 YBYUHQXIROKVJI-CYBMUJFWSA-N 377.363 -0.041 30 20 GBED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2c(C)noc2C)CC1 15104186 ASIKYFXAJIDTPP-UHFFFAOYSA-N 385.446 -0.390 30 20 GBED C/N=C(/NCCS(=O)(=O)NC(C)C)N1CCN(C(=O)c2ccco2)CC1 262519899 DNXTVFRCNNNTGQ-UHFFFAOYSA-N 385.490 -0.059 30 20 GBED C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CCN1S(C)(=O)=O 272036517 QDGVUZGXMCCCHV-NSHDSACASA-N 396.473 -0.059 30 20 GBED COC(=O)C1(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCOCC1 290755078 PZZORSYGODPGIR-UHFFFAOYSA-N 395.437 -0.077 30 20 GBED C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)S1(=O)=O 291418455 ZIBVDJLTAYGNOY-TXEJJXNPSA-N 385.467 -0.129 30 20 GBED CCOC(=O)N1CCC(N/C(N)=N/CCNS(=O)(=O)c2cccnc2)CC1 305229590 XJNXKIQYPOKYBN-UHFFFAOYSA-N 398.489 -0.115 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 349457194 DQEPTOODIOIHRG-KJWHEZOQSA-N 389.499 -0.235 30 20 GBED N#C[C@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nncs2)C1 349490890 HBPFDFGZTXXDIH-SNVBAGLBSA-N 383.452 -0.063 30 20 GBED CN(C)C(=O)COC1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 482231154 MUNGONDRHQLOBN-UHFFFAOYSA-N 379.438 -0.211 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)[C@H](C)O)CC3)CC2)o1 498928180 XEXODXHKAFKJMX-ZDUSSCGKSA-N 390.444 -0.972 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCOC[C@@H]3CCCO3)CC2)nc1 564108609 CMFCKGKCNGRDGU-INIZCTEOSA-N 387.440 -0.086 30 20 GBED CCc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)c1 568018223 KVEGMCLELAZKHG-UHFFFAOYSA-N 398.488 -0.015 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 573268104 ZYENZMHIDIYXDD-GJZGRUSLSA-N 385.424 -0.689 30 20 GBED CNC(=O)C(C)(C)CNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587658704 CYUPLSCSNDEARQ-UHFFFAOYSA-N 386.456 -0.073 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2(CC(=O)O)CCOCC2)cc1 595999960 JEQJZXVLCASYDB-UHFFFAOYSA-N 381.410 -0.023 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)c1cc(S(N)(=O)=O)ccc1O 597023123 SRZNJBSMSYNEKO-UHFFFAOYSA-N 382.442 -0.272 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)N2CCc3ccccc3C2)CC1 732286270 PTDXDGZMSGPYRM-UHFFFAOYSA-N 397.479 -0.352 30 20 GBED COCCN1C(=O)c2ccc(C(=O)N(CC#N)CC(=O)OC)cc2S1(=O)=O 737860010 LEUYXHFIPZTKLT-UHFFFAOYSA-N 395.393 -0.384 30 20 GBED CCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CC(=O)NC1=O 749385778 ZDRSOETYEUWGKL-NSHDSACASA-N 378.410 -0.621 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)C[C@H]2CCN(C(C)=O)C2)c1=O 754774280 LLDXTHKAQVITDP-OAHLLOKOSA-N 377.445 -0.699 30 20 GBED CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 757575981 JEPXDUPDHFOUOH-ZIAGYGMSSA-N 395.460 -0.106 30 20 GBED CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(C(=O)O)cc1 771892393 RAPOTZYYGXFWSS-UHFFFAOYSA-N 394.409 -0.125 30 20 GBED CCOC(=O)[C@H](CO)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 782761310 SNQQGWJOSGYNBW-JQWIXIFHSA-N 383.426 -0.456 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc4nnnn4c3)CC2)o1 786046937 AYQWGJNWATXQPY-UHFFFAOYSA-N 396.367 -0.202 30 20 GBED CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCCNc1ncccc1C#N 787757543 FJDBAHCKZLGKHQ-CYBMUJFWSA-N 394.457 -0.978 30 20 GBED COCCNS(=O)(=O)c1c[nH]c(C(=O)NCc2ccc(C(=O)NO)cc2)c1 788256171 YRFCAEJDRUGHSV-UHFFFAOYSA-N 396.425 -0.012 30 20 GBED C#C[C@H](NC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1)[C@H]1CCCO1 793873252 XWUBPANDCWGQPK-HDMKZQKVSA-N 381.498 -0.393 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)CC1 799768084 CZVMSUMQCJTAHE-UHFFFAOYSA-N 392.481 -0.556 30 20 GBED CC#CCS(=O)(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 810772423 ZWBVPDHZTUDMHC-QGZVFWFLSA-N 393.421 -0.069 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H](C#N)C1CC1 820445606 QZBIHSZWCIQIBW-ZANVPECISA-N 375.414 -0.048 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)NCC(=O)O 827756215 YVLBCJBBLWZLEB-UWVGGRQHSA-N 383.382 -0.642 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CSCN2C(=O)OCC)CC1 828749618 IWJGJENSJYCMSI-LBPRGKRZSA-N 390.487 -0.870 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCN(C)C[C@H](C(=O)OC)C1)c1cc[nH]n1 840502613 CITVFZHBKVOFGJ-LBPRGKRZSA-N 395.416 -0.743 30 20 GBED Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1Nc1cncc(C#N)n1 1052750374 OEFVNVDNWCBSSW-XJFOESAGSA-N 380.412 -0.390 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 1116921980 LGHLWOPLEHPQDR-ZDUSSCGKSA-N 394.453 -0.305 30 20 GBED N#CCC1(CNC(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 1117319575 WZLPUEAQNMGHRQ-CYBMUJFWSA-N 386.474 -0.599 30 20 GBED C#C[C@H](NC(=O)C(=O)N(CCCOC)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 1117580324 CTWYYZRJTNPRQP-SOUVJXGZSA-N 386.470 -0.664 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@@H]1n1ccnn1 1129930830 WNRDMOYDMVXDMJ-OLMMMNRUSA-N 386.456 -0.672 30 20 GBED N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)n1 1261202089 ZMKRITXHMVNFCQ-CYBMUJFWSA-N 398.466 -0.772 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1 1320301786 NYQAVVQXCAFKSR-GFCCVEGCSA-N 385.442 -0.133 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 1321321798 MJVROSFVTADIHJ-CQSZACIVSA-N 387.440 -0.154 30 20 GBED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(C)CCNS(C)(=O)=O)cc1 1323054692 DKKYOLDJVMUYFK-UHFFFAOYSA-N 397.457 -0.060 30 20 GBED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)N3CCC[C@H](OCCO)C3)C2)nc1 1325176486 CVCFVPGJVOIPNY-HOTGVXAUSA-N 388.424 -0.067 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)CCN1Cc1ccccc1 1325833423 WTLAKYHJPINFJM-IRXDYDNUSA-N 396.451 -0.541 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)CC2)cc1 1332059351 FEJPXMXXZHNBHP-INIZCTEOSA-N 382.424 -0.557 30 20 GBED N#C[C@H](C(=O)NC1CC1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1343291755 NTECQALOCJTQFD-AWEZNQCLSA-N 390.421 -0.592 30 20 GBED C=CCNC(=O)NC(=O)CN1CCCN(C(=O)CCCc2cnn[nH]2)CC1 1575108151 GPZCANUSAFWAKM-UHFFFAOYSA-N 377.449 -0.327 30 20 GBED C#CCN(CC#C)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1C[C@H]1CCCO1 1602720279 RZEDNTDGRHIUOZ-CYBMUJFWSA-N 393.415 -0.650 30 20 GBED N#CCCNC(=O)COC(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 1606349641 UCIRBYRZVXQHMV-UHFFFAOYSA-N 392.397 -0.645 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccn4cncc34)C2)C1 1778689034 WXZGQSLLDYYRBO-IBGZPJMESA-N 382.376 -0.134 30 20 GBED N#Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)cc1 1778930739 BNZUDAFVZQPWPE-HXUWFJFHSA-N 395.419 -0.193 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CNC(=O)O4)[C@H]3C2)c1 1784577120 VNYVRNDRZLXYOE-JURCDPSOSA-N 387.396 -0.412 30 20 GBED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)C1CC(O)C1 1792892212 GJORIQCAQCAUBZ-HPTRTIBMSA-N 378.473 -0.181 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C2 1797706758 OZMTYCVGWFURFM-JAAXMTQOSA-N 381.473 -0.339 30 20 GBED COC(=O)[C@@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800774104 BZKLHIGFJVYMSR-MNLSVMLLSA-N 392.408 -0.747 30 20 GBED Cn1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c(C(F)F)n1 1800778213 HEXNVAZVLNNJPD-WDAIWFPHSA-N 396.350 -0.351 30 20 GBED N#CCCC(=O)N[C@@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825323824 OKLRZMSPOGQTLS-GFCCVEGCSA-N 395.485 -0.355 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1ccc(O)nn1)CC2 1825663771 LIZRGPMWIJBVKR-QMMMGPOBSA-N 387.377 -0.048 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCCC4)CCO3)C2)CC1 1829870498 KDPOTAHAUNPTFG-IBGZPJMESA-N 376.457 -0.158 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)OCC#C)C2)C1 1831388445 SPNIUPPREHFPTQ-FUHIMQAGSA-N 392.452 -0.481 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)(C)C)C2)C1 1831394114 WSQWFKOIPFFBPG-OXJNMPFZSA-N 395.500 -0.131 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1832458332 MHRAUGAIIOHHDW-KRWDZBQOSA-N 395.485 -0.346 30 20 GBED COC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835343161 ZHEYDLUAVRZEBN-SFHVURJKSA-N 379.413 -0.300 30 20 GBED CSCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835364334 QFDKIEVPZTUHKP-WMLDXEAASA-N 385.486 -0.139 30 20 GBED CN(C)C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1835439460 IWJHFHBWMWDXKC-GOSISDBHSA-N 378.429 -0.775 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1835763594 KSHBZQRNVGYMGM-KHYOSLBOSA-N 397.472 -0.282 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1837649606 GTPSSXVAELMROQ-APWZRJJASA-N 389.456 -0.216 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnn3)CCO2)C1 1837868506 CWZGIIVJFUUMBF-KXBFYZLASA-N 388.424 -0.415 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1840157251 JLXRGWICQGTXGF-LRDDRELGSA-N 387.458 -0.787 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cccc(=O)n2O)C1 1842210303 XKYLEWXSYBSCKJ-FPLPWBNLSA-N 386.408 -0.239 30 20 GBED CN(C)S(=O)(=O)c1cccc(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)c1 11262476 ZEGJDJWJJJLXIG-UHFFFAOYSA-N 391.409 -0.692 30 20 GBED CCN1CCN(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C(=O)C1=O 265277906 YRNKMVLPMFKVTD-KRWDZBQOSA-N 383.452 -0.086 30 20 GBED CCOCCS(=O)(=O)NCC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 293749691 OYOOKZGZQKOMNY-CQSZACIVSA-N 382.442 -0.111 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N(C)CCN2C[C@H](C)O[C@H](C)C2)C1=O 297890210 PMBOFALBXRXDRW-XHSDSOJGSA-N 380.489 -0.201 30 20 GBED CC(C)N1CCO[C@H](CN2CCN(/C(O)=N/C[C@@H]3CN(C)CCO3)CC2)C1 329660924 OSKLKSURVQIHGX-QZTJIDSGSA-N 383.537 -0.042 30 20 GBED C[C@H]1C(=O)N(C)CCN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)C1CC1 349510082 PPBUDPVNPCYYLP-LBPRGKRZSA-N 392.503 -0.813 30 20 GBED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 368240943 MPBNXWYGFCKOFX-ZFWWWQNUSA-N 398.379 -0.398 30 20 GBED CCNS(=O)(=O)c1ccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1 409495541 NNIVOOANSSHAFB-CYBMUJFWSA-N 388.471 -0.456 30 20 GBED C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 420049879 YOPDRBGGASXPDN-UKRRQHHQSA-N 386.456 -0.169 30 20 GBED Cc1nn(C)c(N2CCN(c3cc(N4CCN(C)C(=O)C4)ncn3)CC2)c1C#N 433797082 SHNFDHWELDHXOK-UHFFFAOYSA-N 395.471 -0.005 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCn2c(O)nnc2C1 438454307 KJNFKFBLSUQRCX-JTQLQIEISA-N 376.398 -0.435 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)C(=O)NCCc2ccccc2)C1=O 456425862 YHAFNIKRWAIURS-ZDUSSCGKSA-N 386.408 -0.173 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCCCN1CCCC1=O 464856730 JAAQHFWKAZIPFN-HNNXBMFYSA-N 385.472 -0.013 30 20 GBED N#CCNC(=O)CNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 511026309 HICVVLIOYDUBNA-UHFFFAOYSA-N 378.332 -0.103 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2)c1C#N 556374189 KGKMPMJOHOZINZ-ZDUSSCGKSA-N 380.474 -0.039 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C2CC2)cc1 576887603 LASURODSTHMRRQ-OAHLLOKOSA-N 398.466 -0.226 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCn4ccnc4C3)CC2)nc1 581097030 GLOGDKODQGENRD-HNNXBMFYSA-N 379.424 -0.070 30 20 GBED C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[C@](O)(CC#N)C1 592149435 PCMWDVKSELALMC-SUMWQHHRSA-N 380.470 -0.268 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCOCCN)cc1 626894841 GRPHHQQQAMQCQK-UHFFFAOYSA-N 398.485 -0.135 30 20 GBED CCS(=O)(=O)NCCOC(=O)CNS(=O)(=O)c1ccccc1C#N 731701017 MMIWMRNVJIAOTJ-UHFFFAOYSA-N 375.428 -0.681 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 733150326 HUIBNAMFJOICEE-OAHLLOKOSA-N 384.502 -0.916 30 20 GBED N#C[C@H](C(=O)c1ccnc(O[C@@H]2CCOC2)c1)C(=O)N1CCS(=O)(=O)CC1 755682209 VWVZOOXXVNPCOH-ZIAGYGMSSA-N 393.421 -0.171 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)NC(=O)NC2CCCCC2)CC1 761039310 VZFDRIJJTPKNBN-CQSZACIVSA-N 399.517 -0.381 30 20 GBED COc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1[N+](=O)[O-] 771892134 YHYRIOXYLLEVDL-UHFFFAOYSA-N 397.369 -0.687 30 20 GBED COCCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(F)cc1 771896799 IWZOWDOVEHMVQC-UHFFFAOYSA-N 398.416 -0.058 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](CC(=O)OC)C(=O)OC)c1 796931418 RWDSKEMMAWZQSH-CYBMUJFWSA-N 383.378 -0.140 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](O)[C@H](C)c2ccccc2F)CC1 831585751 ZMOUGGFOSGVZHH-CZUORRHYSA-N 383.445 -0.098 30 20 GBED Cn1nc(Br)c2c(=O)n(CC(=O)N[C@@H]3CNC[C@@H]3C#N)cnc21 834493213 BUFDMDGHLCEIQI-JGVFFNPUSA-N 380.206 -0.880 30 20 GBED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCC(C#CC(=O)O)CC3)cnc21 844818581 SZWGWNRWSWBXGM-UHFFFAOYSA-N 392.393 -0.477 30 20 GBED C#CCNS(=O)(=O)CCCS(=O)(=O)N1c2ncccc2NC(=O)[C@@H]1C 848966896 GRKLCMUDOZADCT-NSHDSACASA-N 386.455 -0.499 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CC23CCC(CC2)C3)CC1 872515791 WKTDONQEJAZJRZ-UHFFFAOYSA-N 375.516 -0.018 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](NC(=O)OCC)C2)c1=O 917461667 WCQZSWPQVKGAIP-AWEZNQCLSA-N 393.444 -0.288 30 20 GBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 920609034 YCMOQQFGJBMIFP-NSHDSACASA-N 389.412 -0.259 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCOCC1=O 1003513667 WNQGVGDNRWTFLX-SUJAAXHWSA-N 377.441 -0.316 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCNC(=O)C2)cn1 1004741601 ZLYIUNGUINGCCE-ZACQAIPSSA-N 381.436 -0.644 30 20 GBED C=CCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@@H]31)C2 1068764277 NMWATIGKUNJJGF-QBYUYEEZSA-N 380.441 -0.273 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CCn2ncn(C)c2=O)n1 1092896687 CZIDCSCLMGIKGO-ILXRZTDVSA-N 382.428 -0.132 30 20 GBED C[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CCNCC(=O)NCC#N 1104431017 LUQNFOHOHVDUPM-FPCVCCKLSA-N 393.488 -0.487 30 20 GBED CCc1noc(COCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)n1 1111262460 RAIYNARSPXMFPP-UPJWGTAASA-N 376.417 -0.490 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC3(CC2)[C@@H](OCC)C[C@H]3O)nn1 1118178360 OFYCZCDCIKTSCY-CABCVRRESA-N 377.445 -0.141 30 20 GBED Cn1nccc1[C@@H]1C[C@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2CNCC#N)n[nH]1 1130229733 BXXDAMPXGGCCGW-JLNYLFASSA-N 384.444 -0.056 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)[C@H](OC)C1 1213185423 BANHUPWGLMJUET-KGOGZUQQSA-N 390.484 -0.013 30 20 GBED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccccn2)c(=O)n1CC(N)=O 1256376470 DCVKCGKZYYKSBH-LBPRGKRZSA-N 398.444 -0.711 30 20 GBED Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CCO[C@@H](C#N)C3)CC2)cn1 1319056829 BFSHSNOGXROCLX-ZDUSSCGKSA-N 382.446 -0.493 30 20 GBED C[C@@H](NC(=O)C(=O)N1CCO[C@H](C#N)C1)c1cccc(S(=O)(=O)N(C)C)c1 1322678487 SRLXUTXUQAEHLG-TZMCWYRMSA-N 394.453 -0.135 30 20 GBED C[C@]1(C#N)CCCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 1322802632 NUYOSTINASTOPK-OAHLLOKOSA-N 388.515 -0.367 30 20 GBED C#CCCCCNC(=O)C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1342493334 XRAIUGGHXYJARD-UHFFFAOYSA-N 399.513 -0.005 30 20 GBED CCONC(=O)CNC(=O)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1349755816 URYLEENEBGMYNK-UHFFFAOYSA-N 387.440 -0.177 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@@H]2COC[C@@]2(C(=O)O)C1 1549229715 LIYAEAURIRJWSG-HWPZZCPQSA-N 379.394 -0.715 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](CO)CN1CCCC1 1569932348 OGYZVJLTRCFXKJ-HIFRSBDPSA-N 380.470 -0.202 30 20 GBED CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1579860828 UYRUEVMVSCTHQM-VXGBXAGGSA-N 380.372 -0.510 30 20 GBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC[C@@H]21 1581857916 KETSZIMWQQGCDA-RISCZKNCSA-N 383.416 -0.629 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCO[C@H](CN=c2cc[nH]cc2-c2nn[nH]n2)C1 1588355735 LWFLVFTZARCQRR-ZIAGYGMSSA-N 385.428 -0.249 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nn[nH]n2)s1 1588357601 NRJNHHBDTNLAAF-SFYZADRCSA-N 385.837 -0.096 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnc(OC)c(-c3nn[nH]n3)c2)C1=O 1588654497 HNKAZVOZPMCBOJ-UHFFFAOYSA-N 386.328 -0.814 30 20 GBED C=C[C@@H]1OCC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588728657 UKIKAKGESCPASF-OLZOCXBDSA-N 378.414 -0.395 30 20 GBED N#CCNC(=O)CN1CC[C@@]2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCC[C@H]12 1592678485 YNEICNVLLNHAOW-GUYCJALGSA-N 383.416 -0.439 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cncc(-c3nn[nH]n3)c2)cc1 1592696773 UWKSRDGPESVPSO-UHFFFAOYSA-N 398.408 -0.272 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1778969643 OSGXVFWFOLNNFI-RDTXWAMCSA-N 377.445 -0.319 30 20 GBED C[C@@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1781247019 KEAKQOBVVRRAJZ-AHSURJHSSA-N 376.413 -0.337 30 20 GBED O=C(C#CC1CC1)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782672951 RZIILZYVMAYHJV-LJQANCHMSA-N 386.408 -0.196 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)N(C)C)[C@H]2C1 1786743520 VLBRZGCCUYXKKQ-QPSCCSFWSA-N 382.461 -0.145 30 20 GBED CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1788612846 FITXNZRZJFLPFB-IHRRRGAJSA-N 393.513 -0.246 30 20 GBED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1793313003 ZWQPRPYVIAODJF-FQUUOJAGSA-N 398.485 -0.792 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C 1793637728 LVWGCTQDVQMGPL-XCQGWFOSSA-N 390.484 -0.471 30 20 GBED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn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c1cccnc1 1802923763 RZKUWLSKPMZPQA-GDBMZVCRSA-N 391.424 -0.093 30 20 GBED N#CCCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1834605946 YRKBWNYNMUFVIT-INIZCTEOSA-N 392.504 -0.545 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CC)C2)C1 1837390600 CBLOYFOAHGTPHD-ZRGWGRIASA-N 384.473 -0.213 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839883205 VIZJTJJQRFFILK-KXBFYZLASA-N 397.472 -0.440 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCO3)C2)C1 1840040726 VMWUUXGEGXGBBI-RDTXWAMCSA-N 380.397 -0.900 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1840159412 CGBNZRSCQDUPJG-PBHICJAKSA-N 387.502 -0.907 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841893228 ONQJXIMCFOIQQO-HNNXBMFYSA-N 399.513 -0.489 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CC)NC(C)=O 1847260296 SOTJDIKYDLWAJP-UJVQUGGQSA-N 376.457 -0.039 30 20 GBED C#CCN1CCN(C(=O)[C@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)CC1 174830503 SSZLWZWMQCOMJG-GOSISDBHSA-N 395.463 -0.099 30 20 GBED N#C[C@H]1COCCN1C(=O)C(F)(F)C(F)(F)C(=O)N1CCOC[C@H]1C#N 267120841 DCAVGVJWGHEFNN-AOOOYVTPSA-N 378.282 -0.241 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN2C(=O)NC[C@H]2C1 268922818 WYQUSYQCISFGID-AAEUAGOBSA-N 377.426 -0.539 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CN2CCN1CC2 269473482 DBQWZJLLGDAZGZ-ZFWWWQNUSA-N 377.470 -0.659 30 20 GBED CCn1nccc1/C=c1\s/c(=C(\C#N)C(=O)NC[C@@H]2CCCO2)n(C)c1=O 270074785 PDUHOKPFZLXQHR-VLAQDIPGSA-N 387.465 -0.539 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(CN3CCOCC3)n2)C1=O 271096153 WNYDUEXDTKXDHW-UHFFFAOYSA-N 387.396 -0.171 30 20 GBED CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 272436834 BRARVDXOMHRRFG-CYBMUJFWSA-N 383.364 -0.410 30 20 GBED CCN(CC)C(=O)CN1CCCN(C(=O)NCCn2cnc(C#N)n2)CC1 286733499 HIMCVRYASZRAOR-UHFFFAOYSA-N 376.465 -0.265 30 20 GBED C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 290005179 ISMNQOJNKHRQOW-AWEZNQCLSA-N 390.440 -0.417 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O 349473987 JCMGJQDIYWRMLG-ULXLPNHUSA-N 391.515 -0.419 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 349499905 SGANCDXRYJUJOJ-ZOBORPQBSA-N 379.504 -0.417 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H]([C@H]2CCOC2)C1 349505950 ULQTYTYNVSUFKB-MJBXVCDLSA-N 379.504 -0.104 30 20 GBED CC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)Nc2ncccc2C#N)C1 349619551 PCKYYDHTFYJADN-UHFFFAOYSA-N 388.471 -0.128 30 20 GBED Cn1cc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)c(=O)n(C)c1=O 372057766 KGZJZQPDIUVTBE-UHFFFAOYSA-N 387.381 -0.663 30 20 GBED CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 410588868 HTSRYNBIDKAQBX-SJORKVTESA-N 398.467 -0.247 30 20 GBED COCCN(CCO)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 439358337 XVWXRVVEXMZPMA-UHFFFAOYSA-N 375.360 0.289 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCSC[C@H]1CO 440675042 PFTHLPGPKROATI-CYBMUJFWSA-N 386.437 0.322 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@]3(CCCOC3)C2)CC1 459887334 QPMPDWRCHVNONY-LJQANCHMSA-N 378.473 -0.538 30 20 GBED C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1)n1cnc(C#N)n1 466985351 VIOUJLMYBPOFJJ-AWEZNQCLSA-N 395.489 -0.024 30 20 GBED C[C@H](CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)S(C)(=O)=O 583043205 ASYUIOOJEVXPML-CQSZACIVSA-N 394.497 -0.002 30 20 GBED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 589393000 BAOLMOPNRQUUQW-UHFFFAOYSA-N 383.405 -0.414 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)N[C@H](Cc2ccccc2)C(C)=O)CC1 728573445 WHFUPZQREKCVED-LJQANCHMSA-N 384.480 -0.330 30 20 GBED N#CCNC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 733015070 VPSWHEOVEYLOPZ-ZDUSSCGKSA-N 396.381 -0.069 30 20 GBED C#CCN1CCN(C(=O)CN2CCN(CC(=O)Nc3cc(C)on3)CC2)CC1 746500795 WKANQZICSJETQE-UHFFFAOYSA-N 388.472 -0.683 30 20 GBED Cn1c(=O)c2cc(C(=O)OCC(=O)N[C@@](C)(C#N)C3CC3)cnc2n(C)c1=O 746943229 SHXLNPOKQLCWMT-SFHVURJKSA-N 385.380 -0.403 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 761023722 KFYBXFMIWZHMCN-AWEZNQCLSA-N 375.454 -0.030 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 761038939 ZVQFLXGKRCPWEC-UHFFFAOYSA-N 395.441 -0.073 30 20 GBED CCOCCNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767677761 AOGKDVDPYKZVPQ-LBPRGKRZSA-N 383.426 -0.079 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2ccc3c(c2)OCCO3)c(=O)n(C)c1=O 771889875 LPNSVAYOJKNVHO-UHFFFAOYSA-N 380.382 -0.832 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCC[C@@H](c2nn[nH]n2)C1)c1cc[nH]n1 772431231 NPJDNQWMHIFUCA-SNVBAGLBSA-N 376.377 -0.387 30 20 GBED Cn1c(=O)nc(O)c2cc(C(=O)NS(=O)(=O)c3cncc(C#N)c3)cnc21 813982532 MBHRXUKCEBWAFN-UHFFFAOYSA-N 386.349 -0.581 30 20 GBED C=C[C@@H](O)C(=O)OCC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 814548214 QSHQMCKTEARWQS-SJKOYZFVSA-N 377.353 -0.417 30 20 GBED N#Cc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1-c1nn[nH]n1 822830190 WRXRYHBDWBGAKS-GBOPCIDUSA-N 393.363 -0.161 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 839526113 BHCCIBRYPNCDAQ-CQSZACIVSA-N 393.494 -0.190 30 20 GBED COc1ccc(CNC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)cc1C#N 841863350 OBNIHBIYJIJOHB-UHFFFAOYSA-N 393.469 -0.304 30 20 GBED N#C[C@@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cnsn2)C1 848958629 VHCWTEBYYFKBPH-JTQLQIEISA-N 383.452 -0.063 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C2CCN(C(C)=O)CC2)C1 962944389 VZQWXVMQDZXUCN-MHORFTMASA-N 393.484 -0.086 30 20 GBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2nccnc2C(N)=O)c1 1002528153 MSVAWKZZKTXWFM-WZRBSPASSA-N 379.380 -0.049 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 1022051491 JOSDYRPYKCMRHO-YJNKXOJESA-N 375.429 -0.768 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 1111129119 AOFKPULTODMICH-MAPUTHEBSA-N 386.456 -0.351 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCNC(N)=O 1111378497 WLMNRZHVHCPMJF-LOWDOPEQSA-N 380.449 -0.833 30 20 GBED N#CCN1CCC(NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1 1117490354 BYVFHGAGDKZBKV-SDADXPQNSA-N 399.451 -0.986 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H](C(=O)NCCCC)C1 1117634288 PSNWHTZCFNIDFA-AWEZNQCLSA-N 387.502 -0.142 30 20 GBED C=CCn1c(CN2CCC[C@@H](O)C2)nnc1N1CCN(S(=O)(=O)CC)CC1 1121633728 LSOPSAKLAPGFDV-OAHLLOKOSA-N 398.533 -0.108 30 20 GBED C=CCN(CC=C)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1220047786 GKJCEZZKUIQNMB-YUAHOQAQSA-N 393.484 -0.600 30 20 GBED CNS(=O)(=O)N1CCC(C(=O)N(CCC#N)CCN2CCOCC2)CC1 1259464031 HHGCDKQMDCAYHY-UHFFFAOYSA-N 387.506 -0.763 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)NCC3CN(S(C)(=O)=O)C3)CC2)c1C#N 1321777029 KTRWRIGFSJGAQE-UHFFFAOYSA-N 395.489 -0.677 30 20 GBED CN1CCC(N2CC[C@@H](NC(=O)C(=O)NC3CCN(CC#N)CC3)C2)CC1 1322621718 IYDJUAQPRSAFAM-MRXNPFEDSA-N 376.505 -0.625 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](OCC)[C@]23CCCO3)CC1 1323741424 SRVGPNQGSLIIEW-QINHECLXSA-N 391.468 -0.183 30 20 GBED C[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC2(CCOCC2)O1 1332035823 AXDLHVSCTIDWHI-GOEBONIOSA-N 376.457 -0.018 30 20 GBED C=CCN(C(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)[C@H](C)COC 1350280179 LNLKCFCXRYWVME-HUUCEWRRSA-N 380.489 -0.153 30 20 GBED COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 1467993150 XWEFLABTGAEFCI-OAHLLOKOSA-N 392.456 -0.528 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)NCC(=O)N2CCN(C)CC2)ccc1F 1522452515 FCXMGOIZHOSBHY-UHFFFAOYSA-N 398.460 -0.206 30 20 GBED C=CCn1cc(C(=O)N(C)C[C@@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 1573348044 LTKJMKVOMYWCHS-SNVBAGLBSA-N 384.404 -0.137 30 20 GBED CC(C)(C)C#CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 1573793300 OBSUYJYIURDOKZ-TZMCWYRMSA-N 385.428 -0.064 30 20 GBED C#CCNC(=O)[C@H](C)NC1CC2(CC(NC(=O)CCOCc3cnn[nH]3)C2)C1 1574985479 DHEYFONUVZRQNU-UCBUFWRCSA-N 388.472 -0.134 30 20 GBED C#CCNC(=O)[C@@H](C)NCC1(NC(=O)CCCc2cnn[nH]2)CCOCC1 1575004744 KVCHKDMRLJGFPT-CQSZACIVSA-N 376.461 -0.480 30 20 GBED C#CC[C@H](CO)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O 1588332054 VDZNJEZVXHOQMO-OCCSQVGLSA-N 397.395 -0.428 30 20 GBED C=CCCOCC(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588615729 FSKYGGAZYYVGEL-LBPRGKRZSA-N 389.416 -0.255 30 20 GBED C#CCN(C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCS(=O)(=O)C1 1609020784 IHYSQEDOJKGXJS-CYBMUJFWSA-N 388.409 -0.546 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)NC(=O)NC)C[C@H]1O 1757002348 KIQLRWIZDLPIPX-DGAVXFQQSA-N 382.461 -0.637 30 20 GBED C[C@H](Nc1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779062557 WEFVBXORKGFUPJ-UGSOOPFHSA-N 387.396 -0.805 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)c1 1780599976 JMSIUTCICGVDEW-OXJNMPFZSA-N 399.451 -0.405 30 20 GBED CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)S)C1)C(=O)O 1782181426 MPJNBKLOTHOIFH-SFDCBXKLSA-N 387.502 -0.119 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1784034918 GFAICLHBFDSEBZ-QEEYODRMSA-N 393.484 -0.084 30 20 GBED CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1784444123 GIZSXQUOACVPBQ-IHRRRGAJSA-N 385.486 -0.049 30 20 GBED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)C2)cc1 1800525668 LXWNCKSJYNIJJA-CUSZFKRNSA-N 382.420 -0.102 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCn2ccnn2)c1 1801395127 WYPOOHBEKYQNTK-XOIINTDNSA-N 383.412 -0.229 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1 1811459080 XPYFDHZECSPTOF-SCLBCKFNSA-N 395.375 -0.428 30 20 GBED N#CCC(=O)N1CC[C@H](CNC(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1812713183 IFCOGRRNOXJDHD-APWZRJJASA-N 389.456 -0.712 30 20 GBED COC(OC)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812872608 GGGKOAQENFMIMN-BBRMVZONSA-N 375.381 -0.206 30 20 GBED COCCOCC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812876102 BJXFOVFCFOPLQW-HNAYVOBHSA-N 389.408 -0.162 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCOCC3)sc2C1 1814572602 QWJSGADNEXCCMB-LLVKDONJSA-N 392.437 -0.525 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncc[nH]2)CCO3)c1 1833720915 KNJSKMQNOPEGFH-SFHVURJKSA-N 384.396 -0.007 30 20 GBED N#CCC(=O)NC1CCN(C2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1834398051 LJXGPZWBTITWOW-AWEZNQCLSA-N 390.444 -0.930 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835066030 GTIZZTRZFCFWKN-IRXDYDNUSA-N 395.548 -0.583 30 20 GBED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836139340 KVSWDXBYIUXNBQ-INIZCTEOSA-N 399.398 -0.054 30 20 GBED CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)COC1 1838732871 DEAPDANSARZBQM-LJQANCHMSA-N 388.424 -0.007 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1840043962 FJRBHYSMCJLYJB-DOXZYTNZSA-N 394.424 -0.918 30 20 GBED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)n1cnnn1 1840474381 QFJZTZWYZPPJKA-KBXCAEBGSA-N 388.428 -0.896 30 20 GBED CS(=O)(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)nc1 1842255803 GCXQXOBPCFHSBL-UHFFFAOYSA-N 391.405 -0.610 30 20 GBED COc1ccc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)cc1C#N 255031208 WHZKQAHUAAPBTQ-UHFFFAOYSA-N 393.428 -0.095 30 20 GBED Cn1cc(/C=C2/CCC/C(=C/c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O 255302702 DOWSQSVCTQFNAN-JMVBYTIWSA-N 398.419 -0.299 30 20 GBED CCOC(=O)CN(CC(N)=O)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 268881073 XWPYEZLMISJCPA-LLVKDONJSA-N 396.425 -0.898 30 20 GBED COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)O/N=C(\N)CCO 275467048 LDLKLCWNLRMSAI-SNVBAGLBSA-N 388.446 -0.056 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCCN(CC)S(C)(=O)=O 285405477 ICCHUCKNAMBHEE-UONOGXRCSA-N 375.491 -0.128 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC2(C(=O)N(C)C)CCCC2)C1=O 287053588 QJOKPFLDXNQNQC-CQSZACIVSA-N 378.473 -0.004 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)NC)CC2)cc1 298747551 LSSNXCWZSLNGNI-UHFFFAOYSA-N 378.454 -0.898 30 20 GBED COCc1nc2n(n1)C[C@H](N/C(O)=N/C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)CC2 329371677 KDRPOMRVJOFSSH-AGIUHOORSA-N 380.449 -0.121 30 20 GBED C[C@H](C(=O)N/C(O)=N/C(C)(C)C)N1CCN(C(=O)C(=O)N2CCCC2)CC1 330464613 VEFSLOWCQZJEBX-CYBMUJFWSA-N 381.477 -0.030 30 20 GBED CC[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)C[C@H]1O 349468925 WDZGGXGLYQDWCN-CHWSQXEVSA-N 381.520 -0.027 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CC(=O)N(C)C[C@H]1C 349607604 FWVKPQVFYIZSBF-NWDGAFQWSA-N 380.492 -0.910 30 20 GBED COc1ccccc1N1CC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1=O 409516319 WWIFYRZRYFMEGW-OLZOCXBDSA-N 380.426 -0.141 30 20 GBED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCN(CC(N)=O)C(=O)C3)C2)n1 458055373 VTFUNDQRFCWQQT-HNNXBMFYSA-N 384.440 -0.366 30 20 GBED CN(C)S(=O)(=O)c1cc(C(=O)N(CCC#N)CCN2CCOCC2)n(C)c1 488464738 ACGWOAUZMNWDMN-UHFFFAOYSA-N 397.501 -0.037 30 20 GBED N#Cc1cccc(CNC(=O)CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 532706536 WWDFQEUOPZBVAT-IAGOWNOFSA-N 392.481 -0.738 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C 575831552 RAKAFWOOFWZJGM-KBPBESRZSA-N 395.551 -0.037 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 591963313 HWPCIKXHZRQPAT-OAHLLOKOSA-N 397.413 -0.067 30 20 GBED Cc1ccsc1C=c1sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c1=O 727163406 BFXRUIKMINMFKF-UHFFFAOYSA-N 394.503 -0.144 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1 785158194 CTXKNAUZOYGCTC-UHFFFAOYSA-N 382.394 -0.419 30 20 GBED COCCn1cc(C=c2sc(=C(C#N)C#N)n(CCCC(=O)O)c2=O)cn1 831800987 VUDFBMSLMXKVHL-UHFFFAOYSA-N 387.421 -0.356 30 20 GBED C#CCCCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@@H]1CCOC1 910135874 NZJBMDZYLDGXOU-GJZGRUSLSA-N 386.456 -0.583 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(CN3CCOCC3)o2)CC1 913788388 BZRIHNIZKPUPAY-UHFFFAOYSA-N 396.469 -0.663 30 20 GBED CCN(CCC#N)C(=O)COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 918813344 AQOJCFRVWBPMPA-LBPRGKRZSA-N 398.441 -0.543 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2c(O)nnc2O)[C@H](C)C1 949503119 OHYWCBPMWILSLY-LPWJVIDDSA-N 379.417 -0.366 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)ncnc2O)C1 1025170541 NNUWOOLWXBNBGM-SYQHCUMBSA-N 376.413 -0.227 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nn3c(c2C)OCCC3)C[C@H]1O 1025712491 NLWLYLRVZWYZPP-TUVASFSCSA-N 390.440 -0.133 30 20 GBED C=CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1070025834 MNHTZWIAWVMOMS-QXSJWSMHSA-N 376.461 -0.169 30 20 GBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCc1ncnn1C 1109911557 ZQWQVBZTBKFWMN-XGUBFFRZSA-N 376.461 -0.256 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)C1CC1 1110315191 MXNPMPCMZHZYJA-OAGGEKHMSA-N 375.473 -0.004 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)[C@H]1CN(C)CCN1C 1147353006 SXFUYBWQVLRQLW-JKIFEVAISA-N 393.513 -0.024 30 20 GBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[C@H](C)C1 1207700055 GAKOABDDENLITL-OXHZDVMGSA-N 377.363 -0.481 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 1211875645 QMIYFCKWIGMWLH-AWEZNQCLSA-N 379.504 -0.006 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCC(=O)N3CCCC3)n2)cc1 1252598387 WPEZZJZXUFWAQZ-UHFFFAOYSA-N 381.396 -0.125 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCS(=O)(=O)C1 1320709971 RGKASFRJGFQXFF-WCQYABFASA-N 385.467 -0.224 30 20 GBED CC(C)(C)OC(=O)N1CCN(CCNC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1323334123 UPNUORCMDCCAKK-AWEZNQCLSA-N 395.460 -0.594 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 1324138850 NKIWQQOFJQFWEN-UKRRQHHQSA-N 387.502 -0.034 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccnc(F)c3)CC2)C1=O 1324684716 DLKDEWPAPAHWOR-UHFFFAOYSA-N 375.360 -0.154 30 20 GBED COCCO[C@H]1CCN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1325824535 IJBCXYBMNRRBAX-INIZCTEOSA-N 387.440 -0.134 30 20 GBED N#Cc1ccccc1N1CCCN(C(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)CC1 1330993457 HMBBBHYWHNKUOR-OAHLLOKOSA-N 384.440 -0.134 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C[C@]2(CCCOC2)O1 1331996214 JGXVICXCYBOXLL-ALKREAHSSA-N 376.457 -0.018 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N2CCC(C(=O)N3CCOCC3)CC2)CC1 1335549250 YDFYWLVWINGYHZ-UHFFFAOYSA-N 391.472 -0.858 30 20 GBED C=CCn1c(CN2CCC(O)CC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1339598270 PLZBPQVDNFKTTG-AWEZNQCLSA-N 398.533 -0.109 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C1 1349354020 BOEUMLKBYMVMKD-INIZCTEOSA-N 383.470 -0.177 30 20 GBED CCS(=O)(=O)NCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C 1525602679 JZVQYTNDQSOVKP-UHFFFAOYSA-N 390.473 -0.152 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](N(CCO)C(=O)CCCc2cnn[nH]2)C1 1575012656 FJVBOKJTZBZLGM-NVXWUHKLSA-N 391.472 -0.022 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCCNCCc2cnn[nH]2)C1 1575014223 YMAPOEGMJMFFNG-LSDHHAIUSA-N 376.461 -0.670 30 20 GBED CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1ccc(C#N)[nH]1 1579029124 SDWRQOJQGVFBBK-LLVKDONJSA-N 382.388 -0.574 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 1588500991 HRARTSTUPQHUFC-YVEFUNNKSA-N 378.408 -0.100 30 20 GBED C=CCNC(=O)CN1CC2(C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CO2)C1 1588659083 HNPQFRNGULHHBR-GFCCVEGCSA-N 386.416 -0.930 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCOC)c1nccnc1-c1nn[nH]n1 1588723411 MNGJCTJTMPNTJZ-OLZOCXBDSA-N 388.432 -0.183 30 20 GBED N#CCSCC(=O)NC[C@H](O)CNCc1cc(F)ccc1-c1nn[nH]n1 1592678975 BOBJUWMAXJCCIA-GFCCVEGCSA-N 379.421 -0.171 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[nH]n2)C1 1602756753 XKHAXERFGQMTSN-CHWSQXEVSA-N 385.432 -0.178 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1628787391 YWWLEZJAINUVTC-UHFFFAOYSA-N 379.380 -0.174 30 20 GBED CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1638689886 MMDNRZCBVCISCG-UHFFFAOYSA-N 391.457 -0.216 30 20 GBED C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1750071137 WKRZUXCGVZVBHD-WBMJQRKESA-N 391.457 -0.119 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](O)NC(=O)OCC)C3)C2)C1 1778779919 XTTJQHUBOXCKQU-KBXCAEBGSA-N 381.429 -0.153 30 20 GBED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(O)O)CCO3)c1 1780167332 PPOHILJDVZHXET-GOSISDBHSA-N 375.381 -0.679 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cnccn1)C2 1782009678 UHVCNEIZLCUWSF-DNVCBOLYSA-N 386.408 -0.379 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ncc(Cl)cn1)CCO2 1783561577 ZOAMUPDSEHNCCL-INIZCTEOSA-N 378.772 -0.339 30 20 GBED COc1nc(C)ccc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566745 GSTPCRONUVMICI-LJQANCHMSA-N 387.392 -0.070 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)N(C)C)C[C@@H]21 1784475183 WUPCEEKLDNBUPP-VGWMRTNUSA-N 394.472 -0.724 30 20 GBED C[C@@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1795513709 SQTSPTBMDRGYRK-CUSZFKRNSA-N 377.485 -0.131 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1 1833221210 UKMRKAYYORRCLC-OAHLLOKOSA-N 383.489 -0.558 30 20 GBED Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)cc1O 1833404038 LCOYSGJGEWWIDP-QGZVFWFLSA-N 377.401 -0.501 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833478101 DWJPZYFSVUQVDH-YVEFUNNKSA-N 397.453 -0.526 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1835362111 DQZKKLGRDJZHSJ-SFHVURJKSA-N 389.412 -0.997 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Cn1cncn1)CCO2 1837649622 GTPSSXVAELMROQ-LPHOPBHVSA-N 389.456 -0.216 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4nccn4)C3)C2)c1 1838738743 ADFABKGONZRRPY-SFHVURJKSA-N 399.411 -0.752 30 20 GBED Cc1[nH]ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042857 QYRWVEIYYBUOET-GOSISDBHSA-N 375.381 -0.519 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CCN2CCOC2=O)C1 1843856032 YDPXPAYQDXHNLF-PLNGDYQASA-N 390.440 -0.110 30 20 GBED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C(C)=O)CC2)C1 1843972945 NWVKLEBINKBCNW-MRXNPFEDSA-N 392.500 -0.055 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)N(CCC(N)=O)c2ccccc2OC)c1=O 10855671 KNOATEOBAGPXPC-UHFFFAOYSA-N 399.407 -0.181 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCCN1C(=O)CNC1=O 266660360 OOYXZFMJBYGZKT-UHFFFAOYSA-N 376.344 -0.166 30 20 GBED N#CCN1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 266808731 CFOLYYRQJUTMDY-CYBMUJFWSA-N 391.453 -0.645 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)CNC2=NS(=O)(=O)c3ccccc32)C1=O 281277326 HQHKTBGLCMHRCX-CYBMUJFWSA-N 376.438 -0.030 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N[C@H](C)CC)CC2)CC1 286448640 HIUYULKXZFZPID-MRXNPFEDSA-N 393.532 -0.188 30 20 GBED C=C[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 290608156 NRKDCSIMSWJZHP-HNNXBMFYSA-N 395.481 -0.037 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(/C(O)=N/[C@@H]1CCCCN=C1O)C2 329770233 IOTCKTBGNXAGIH-LLVKDONJSA-N 379.421 -0.628 30 20 GBED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C1(C)C 349517646 FWXZSDXOXJFIMD-GFCCVEGCSA-N 394.519 -0.616 30 20 GBED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCCS(N)(=O)=O)cc1 429464943 FOCPHQSAYIYKTA-UHFFFAOYSA-N 394.453 -0.156 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3CCCC[C@H]3C(N)=O)n2)cc1 440956462 YJOPCLSKUAKKSR-CABCVRRESA-N 395.423 0.297 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCS(=O)(=O)C1 482135413 FAGWTXDIKHGNIZ-DGCLKSJQSA-N 385.467 -0.082 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(NC(N)=O)CC1 482415346 ZKJFGRLWOFHTPY-NSHDSACASA-N 379.442 -0.116 30 20 GBED N#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(C#N)nc2)cn1 523501443 SSWPCCALKLXIJJ-UHFFFAOYSA-N 392.422 -0.523 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCc4c[nH]nc4C3)CC2)c1C#N 562203673 JFVOIPWJMMCEAE-CQSZACIVSA-N 396.455 -0.354 30 20 GBED COC(=O)c1cn(CCNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)nn1 570996179 LXHZKFPSYQNHQF-UHFFFAOYSA-N 375.393 -0.484 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2CS(N)(=O)=O)cc1 572687068 MQPDWJKQPSBOGL-LBPRGKRZSA-N 386.455 -0.884 30 20 GBED COCCN(CCOC)S(=O)(=O)N1CCN(c2cnccc2C#N)CC1 583357752 QTMKAKFQBDMCBC-UHFFFAOYSA-N 383.474 -0.085 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@H]2C(=O)OC(C)(C)C)C1=O 597833861 NEIDKAKXESMBOH-NSHDSACASA-N 381.385 -0.468 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 599502063 QUPUHOKBXDHVFG-QGZVFWFLSA-N 397.501 -0.021 30 20 GBED N#Cc1cccc(CN2CCC(NC(=O)C(=O)NC[C@@H]3COCCN3)CC2)c1 599956903 RBSXEHOZTVNZCR-GOSISDBHSA-N 385.468 -0.257 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)C[C@@H](NC(N)=O)c2cccs2)CC1 728532945 OLJMLAIJLAVNHE-CYBMUJFWSA-N 377.470 -0.259 30 20 GBED C#CCOCCNC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 752616976 NXUDGPKAFWADQA-UHFFFAOYSA-N 381.458 -0.066 30 20 GBED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 756743901 ADSISFQMAZZEBU-VXGBXAGGSA-N 385.446 -0.362 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCO[C@H](c2ncon2)C1)c1cc[nH]n1 772541665 DWIZUPZCGHTRDV-NSHDSACASA-N 378.345 -0.323 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 823932032 LARSBBUXYCSGHM-UHFFFAOYSA-N 382.377 -0.339 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]3C=C[C@H]2N(C(=O)OC)C3)CC1 831579677 LTUILUCNISIQQX-QLFBSQMISA-N 396.469 -0.759 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@](O)(/C=C/OCC)C(F)(F)F)C1=O 848191472 SYWYVYZSEINWPM-DYLGSBMWSA-N 393.318 -0.077 30 20 GBED C#C[C@H](CO)NC(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1 854769526 NWUORTVBAMFMGM-OAHLLOKOSA-N 384.454 -0.306 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 893819345 KJYUSCPDPYNLSD-HNNXBMFYSA-N 392.485 -0.545 30 20 GBED COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1 917052797 PELRQMQVJLJKKJ-TZMCWYRMSA-N 397.391 -0.125 30 20 GBED CO[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 941468381 IXKGEJXOPKOAOA-UQFXTHDASA-N 388.424 -0.107 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1n[nH]c(C)n1 960367240 LKNQQLMBRQDZQK-CBBWQLFWSA-N 375.429 -0.315 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(=O)n(C)cn1 960563070 PZCMQACVRKORDN-SYAUCNOPSA-N 388.424 -0.577 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cnc(O)n(C)c2=O)[C@H]1C 989226716 ODDDLDXWEVZVJR-RFHZTLPTSA-N 376.413 -0.204 30 20 GBED O=C(C#CC1CC1)N1CCN(C(=O)[C@@]23COC[C@@H]2C3)[C@H]2CS(=O)(=O)C[C@H]21 995444961 GTNLJDJMYTVOMN-KRXQYRFLSA-N 378.450 -0.727 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CC(=O)NC(=O)C1 998379541 WTFLWQJXVCSIPO-MRLBHPIUSA-N 375.425 -0.122 30 20 GBED C#CCNC(=O)CC(=O)N1CC2(C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CO2)C1 1068940056 VORJKBJSLNMYIB-YQBONMRBSA-N 387.436 -0.965 30 20 GBED CC(C)N1C[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1=O 1117223784 VHDQEYGEUJHUEU-HNNXBMFYSA-N 384.440 -0.273 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2CNCCO)n[nH]1 1130216005 MDLNEQTVVPDOPN-XGUBFFRZSA-N 379.461 -0.144 30 20 GBED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@H](C#N)C2)s1 1318917477 YEFPPMROHTYJTB-LLVKDONJSA-N 386.455 -0.587 30 20 GBED N#Cc1ccc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nc1 1321625557 IZPWKMGTSWJIRR-CQSZACIVSA-N 392.437 -0.559 30 20 GBED C#Cc1cc(F)c(NC(=O)C(=O)NCC2(O)CCS(=O)(=O)CC2)c(F)c1 1321695618 CSUQIRYPFXWBCY-UHFFFAOYSA-N 386.376 -0.060 30 20 GBED CCN1CC[C@H](N(C)C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1322694051 MRBAQNUFUKVLIV-OVZRNVPMSA-N 391.472 -0.040 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@](O)(C2CC2)C1 1325112167 QCWHFTFWPZOMBZ-ORAYPTAESA-N 384.440 -0.241 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)nn1 1329222369 KREVSZSXTPLZSB-UHFFFAOYSA-N 383.412 -0.540 30 20 GBED C#CCN1CCN(c2nnc(CN3CCC(CO)CC3)n2CCOC)CC1 1345454485 XELOTSJTVYFKFE-UHFFFAOYSA-N 376.505 -0.116 30 20 GBED CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)c1 1349211938 MQAKMSHVJKIWND-PXAZEXFGSA-N 394.453 -0.351 30 20 GBED C#CC[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1)c1ccccc1 1350574302 VMSWJFIKMBUSSF-MRXNPFEDSA-N 392.481 -0.182 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCN([C@H]4CCOC4)CC3)CC2)cn1 1352159547 CZIRBOSEUNTOIG-SFHVURJKSA-N 398.467 -0.465 30 20 GBED COC(=O)C[C@@H]1CN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CCO1 1353716710 PUUPHAPDPJWBIB-CQSZACIVSA-N 375.381 -0.026 30 20 GBED CC(C)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1465013051 PCVNSQZKKRDYDJ-PWSUYJOCSA-N 379.442 -0.117 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@H](O)[C@@H](CO)C3)CC2)cc1 1570214380 OKKGAVDXEBXGFB-WBVHZDCISA-N 393.465 -0.229 30 20 GBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c(-c2nn[nH]n2)cn1 1571139410 HDRUSWYKBASBIZ-HIFRSBDPSA-N 379.384 -0.251 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2C(=O)O)CC1 1573327566 RASOYJYHTBFVQR-UHFFFAOYSA-N 380.426 -0.320 30 20 GBED C[C@@H](C#N)C(=O)NC[C@@H]1CCC2(CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)O1 1573576559 HMMPWWNJVWWPBT-JQWIXIFHSA-N 384.400 -0.156 30 20 GBED C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H]([C@H](C)N)C1 1574936523 MEXKHPCPHJPZRH-KBPBESRZSA-N 375.477 -0.124 30 20 GBED CCN(CCC#N)C(=O)CN[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1577909193 GVRQAOPDQPWHNO-TXEJJXNPSA-N 385.432 -0.193 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)C[C@@H]32)c1 1581863356 JYLIZRZLHMBWML-YABSGUDNSA-N 377.368 -0.105 30 20 GBED N#Cc1ccc(N2CC[C@](O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nc1 1581871548 ZIIOXHFNAKIJAU-KRWDZBQOSA-N 379.384 -0.167 30 20 GBED N#CC1(NC(=O)CS(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)CCOCC1 1592670806 PTNXITBRWWTQFS-UHFFFAOYSA-N 390.425 -0.030 30 20 GBED C#CCN(CC(=O)O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1602695734 RSVBBIAOBBNALN-UHFFFAOYSA-N 379.438 -0.461 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ncc(-c3nn[nH]n3)cc2Cl)CC1 1602722414 QHHOQMSETJYMFP-UHFFFAOYSA-N 388.819 -0.578 30 20 GBED C#CCOCCC(=O)N[C@H]1CCN(c2cc(C)ncc2-c2nn[nH]n2)C[C@@H]1O 1602729314 ODXQNIPZDNKRDT-HOCLYGCPSA-N 385.428 -0.334 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)NC[C@@H](CO)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1756527301 DZTYQOUMXZZSHG-DGAVXFQQSA-N 382.461 -0.589 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1778969905 USTQYAQVCDVBGC-KUHUBIRLSA-N 393.488 -0.771 30 20 GBED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)CNC4=O)[C@H]3C2)C1 1784948998 LENUMCBMMWWBEV-QEJZJMRPSA-N 390.440 -0.516 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1793341509 XGJHMCOYMWQQEA-SVZOTFJBSA-N 377.441 -0.860 30 20 GBED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 1796034356 NZDCDNQXQAXGGU-XOIINTDNSA-N 396.407 -0.041 30 20 GBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1800980302 DZIWEQGTSZWVPY-OFTGVCEQSA-N 378.516 -0.425 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830576050 QZZDDBRSKRDPHD-YHRBYZFPSA-N 382.457 -0.195 30 20 GBED C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1)n1cnnn1 1831672930 VDWXQUNMVYGXMA-UKRRQHHQSA-N 388.428 -0.058 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCOC)CCO2)C1 1835235223 KJWZLXPRAZGUCG-IBGZPJMESA-N 398.456 -0.011 30 20 GBED CN1N=C(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)CCC1=O 1835354900 JPLRTBOHVCQGDL-GOSISDBHSA-N 391.428 -0.645 30 20 GBED C[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565062 KVDXLAYBMWBYFB-LPMWRXPISA-N 379.413 -0.464 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncc[nH]4)C3)C2)c1 1838732450 SEJODKASWUASNZ-GOSISDBHSA-N 384.396 -0.007 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1839808705 XXOHCJHAGPLZRL-FQEVSTJZSA-N 399.403 -0.279 30 20 GBED Cn1c(N2CCN(CC(=O)NCc3ccccc3)CC2)c(C#N)c(=O)n(C)c1=O 14325866 AVUSAKKLBUUFFI-UHFFFAOYSA-N 396.451 -0.606 30 20 GBED COCCNC(=O)/C(C#N)=c1/s/c(=C/c2cc(C#N)n(C)c2)c(=O)n1C1CC1 276761082 AJZGOINYZUSDDT-RNRQQCGISA-N 397.460 -0.279 30 20 GBED Cn1cc(/C=c2\s/c(=C(\C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)cc1C#N 276909775 OSEQQDVKTMDONX-CXVMBCETSA-N 397.460 -0.545 30 20 GBED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCN2CCNC(=O)C2)cc1 286985380 AJIDLUQXOQNXOH-LBPRGKRZSA-N 379.442 -0.074 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)C1=O 288599702 WIEUEUYFSNLBOH-CYBMUJFWSA-N 391.428 -0.240 30 20 GBED CCOC(=O)COCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 295831364 ZFMYDTRUPPHECD-LBPRGKRZSA-N 383.426 -0.079 30 20 GBED CC(C)(C)N1C[C@@H](/N=C(/O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1=O 330259092 RVWBAMVNOWZNAV-HNNXBMFYSA-N 395.504 -0.224 30 20 GBED N#Cc1ccc(NC(=O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 331485904 KAGGNNNDHAQWJH-UHFFFAOYSA-N 385.424 -0.500 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCn2cnnc2C1 349446667 AAXVQVXPOVLAGY-UHFFFAOYSA-N 396.454 -0.373 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)C(C)(C)C1=O 349481039 YVQPGRJLEVCFLE-UHFFFAOYSA-N 380.492 -0.956 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@H](O)CC[C@H]2C1 349487935 DKGDYHVAVNLFBB-BFHYXJOUSA-N 393.531 -0.027 30 20 GBED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C[C@H]1C 349513659 XURFDLSGVDZZTB-OLZOCXBDSA-N 394.519 -0.616 30 20 GBED CN(CCOCCO)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 374475829 NAHASIKGLCEOCW-UHFFFAOYSA-N 375.360 0.289 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1=O 377638801 FQOSUJFJFAJNLK-LBPRGKRZSA-N 399.407 -0.543 30 20 GBED CN1CCN(CC2(C)CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)CC1 409493789 AFMAXSZBIKTMHM-INIZCTEOSA-N 385.534 -0.195 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C 409501856 NGCKTHIXHJLTPC-CQSZACIVSA-N 376.479 -0.434 30 20 GBED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 409665383 JHUCUHWSVPVBDJ-ZIAGYGMSSA-N 375.433 -0.898 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)O)CC2)c1 497956325 AZVGNKPMHJCSTC-ZDUSSCGKSA-N 381.454 -0.184 30 20 GBED N#CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 511907089 RMRAFXZFVRJIJM-UHFFFAOYSA-N 390.425 -0.786 30 20 GBED Cn1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1=O 512426655 HXKWLVHHTGDXSD-UHFFFAOYSA-N 387.421 -0.201 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCn3ccnc3C)CC2)c1C#N 551017683 DTEBTUOVVYCDIY-UHFFFAOYSA-N 398.471 -0.040 30 20 GBED CN(CC(=O)NC[C@]1(O)CN2CCC1CC2)S(=O)(=O)c1ccc(C#N)cc1 552210590 LNVGKUJUYSNQGL-SFHVURJKSA-N 392.481 -0.248 30 20 GBED COCCN(C)CCNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 552971826 SFAJVQASIJRXAJ-UHFFFAOYSA-N 387.484 -0.103 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H]1NCCCC1(C)C 572017423 AOZPZTGZJPILTL-AWEZNQCLSA-N 375.477 0.149 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CC(=O)N(C3CC3)C2)cc1 579731483 LJTDRKAIIFFYQO-NSHDSACASA-N 398.466 -0.170 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(Cc3nc[nH]n3)CC2)c1 593901426 UBIUXMZLKVTJQK-UHFFFAOYSA-N 389.441 -0.701 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 728590170 UWXYYKRPPDFDDQ-UHFFFAOYSA-N 380.426 -0.041 30 20 GBED CS(=O)(=O)N1CCN(S(=O)(=O)NCc2ccc(OCC#N)cc2)CC1 754321593 UFZAVZZLUDNIKI-UHFFFAOYSA-N 388.471 -0.499 30 20 GBED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 785211181 KEBZJORXPJYSTQ-VXGBXAGGSA-N 385.380 -0.915 30 20 GBED C[C@@](C#N)(CC(=O)O)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 819842074 IJIAIASARMZUGW-AWEZNQCLSA-N 384.370 -0.006 30 20 GBED COC(=O)[C@@H]1[C@H]2CN(S(=O)(=O)c3ccc(S(=O)(=O)NCC#N)cc3)C[C@H]21 848941194 IKNRUWCCFHVFGY-WDNDVIMCSA-N 399.450 -0.472 30 20 GBED C#C[C@@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)N=c1nc(C)[nH]n1C 848969240 FLZRKFDADQOGFP-LLVKDONJSA-N 377.492 -0.649 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@@H]1O 964615022 BTJNJGJRAUVQFQ-UXOAXIEHSA-N 378.429 -0.994 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 975851930 WPMSAUWWOAOMRI-YVSFHVDLSA-N 390.484 -0.541 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@]34COC[C@@H]3C4)C[C@@H]2n2ccnn2)nc1 990914243 HQUZOBORHARCLM-FORWCCJISA-N 392.419 -0.127 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)nn1 1025041832 KGJCZSCPXSNEPS-XOUADPBQSA-N 375.429 -0.419 30 20 GBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(CC(=O)N(C)C)nn1 1110153516 XCJWFCYOYHEKKE-YCPHGPKFSA-N 376.461 -0.096 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)n2nccc2[nH]1 1110461958 QEOIAHXNGWMUPT-KFWWJZLASA-N 382.424 -0.616 30 20 GBED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cnn(CC(=O)NC)c2)c1 1116704321 VNTHKWOKZKFXAB-UHFFFAOYSA-N 382.380 -0.696 30 20 GBED COc1ccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)cc1-n1cnnn1 1252289055 ZETUNKUUBOMUGU-UHFFFAOYSA-N 384.400 -0.286 30 20 GBED CN1CCN(C[C@H](NC(=O)C(=O)N2CCO[C@H](C#N)C2)c2ccccc2)CC1 1257059071 FPENGGAUEGDJHI-MSOLQXFVSA-N 385.468 -0.158 30 20 GBED COC(=O)NC1CN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 1261352556 YYNCOCYUELZROL-UHFFFAOYSA-N 385.424 -0.231 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC3(CC2)C[C@H](O)CCO3)CCN1C1CC1 1262524107 BOYXQUSAURDPDO-HZPDHXFCSA-N 376.457 -0.282 30 20 GBED C#Cc1cccc(Cn2nnnc2N2CCN(S(=O)(=O)N(C)C)CC2)c1 1334425782 OZPKKWZWCIBGHO-UHFFFAOYSA-N 375.458 -0.369 30 20 GBED N#C[C@H](C(=O)CNC(=O)Cc1cccc(F)c1)C(=O)N1CCS(=O)(=O)CC1 1341786854 JZAIDBBWPFCTFL-CQSZACIVSA-N 395.412 -0.550 30 20 GBED C=C(C)Cn1c([C@H]2CNC(=O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1346098790 VLGFMUUBFVRBJG-CYBMUJFWSA-N 382.490 -0.071 30 20 GBED N#Cc1cccnc1N1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 1571140812 UFBDKECFWUFZAR-TZMCWYRMSA-N 379.384 -0.169 30 20 GBED C[C@H](C#N)C(=O)N(C)CCOCCNC(=O)[C@@H]1CCCN1Cc1cnn[nH]1 1575179305 UCVSESHXGVKKAM-HIFRSBDPSA-N 377.449 -0.480 30 20 GBED Cn1c(=O)[nH]c(N2CCC[C@](C#N)(c3ccccn3)C2)c(-c2nn[nH]n2)c1=O 1581746860 OZXIHFJPBDVRPQ-QGZVFWFLSA-N 379.384 -0.290 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588351290 MYFKFQLMKZXXKQ-ZFWWWQNUSA-N 382.428 -0.377 30 20 GBED CN(CCOCCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1cncc(C#N)n1 1604781725 WHZFKXFJXCJDNT-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC(=O)O)cc1 1605407900 OCQPICZGUPDBNP-UHFFFAOYSA-N 375.428 -0.074 30 20 GBED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)Cn1nccn1)CCO2 1779018949 LVOPUWUTUNMCCC-IUOVYFEOSA-N 389.460 -0.420 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1781362543 PCFZYTOUQSATLS-ZRGWGRIASA-N 377.441 -0.525 30 20 GBED CNC(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)ON=C(C)C)[C@H]2C1 1789952962 YOEBWJAAQCPAAW-AJNGGQMLSA-N 382.461 -0.097 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4c(c3)CCNCC4)[C@H]2C1 1790619058 MYWNIJDMVHUCAO-IEZWGBDMSA-N 382.464 -0.004 30 20 GBED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1793383309 PVXGOUJTJNKRCL-NEBZKDRISA-N 383.518 -0.630 30 20 GBED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)C2 1793562964 YAOVTNHEUVGGJW-RKQHYHRCSA-N 376.413 -0.739 30 20 GBED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795416874 YLKGDFFWPQONMW-XPCVCDNBSA-N 386.474 -0.792 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC=O 1799287359 LJIKNBCMXVHZHJ-HGTKMLMNSA-N 381.429 -0.780 30 20 GBED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2 1800990989 LSYFHDPYXNCERX-YVWYUNDQSA-N 387.436 -0.305 30 20 GBED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1807144098 VRNVYMMSMKXVCP-GJZGRUSLSA-N 389.456 -0.320 30 20 GBED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1825012429 XRZVOWFSLJFWGE-NSHDSACASA-N 396.494 -0.581 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)C1 1829944938 QJGKGRYVRJOCKS-MGPUTAFESA-N 391.468 -0.065 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cnccn4)CCO3)C2)CC1 1830962956 ZXGVPCQFEUOAIK-IBGZPJMESA-N 385.424 -0.221 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1831433466 IKMQPGBIFHPDLL-KXBFYZLASA-N 392.456 0.000 30 20 GBED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834756145 SHJZSCZMZFNJGL-QMTMVMCOSA-N 393.440 -0.054 30 20 GBED CN1CCC[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338943 ZUVVUFBRQXKQEY-HNAYVOBHSA-N 376.457 -0.159 30 20 GBED CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)CC#N)CC2)CC1 1835644402 RIRCNFFWQBKVKG-QGZVFWFLSA-N 395.460 -0.464 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1839806969 JIESYHBCJSDURO-LJQANCHMSA-N 388.424 -0.776 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1839840264 BXRHZJKMAGCCFT-PBHICJAKSA-N 388.486 -0.300 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)OC(C)(C)C)CCO2 1839989368 YUEVLDHHXOVOSU-GOSISDBHSA-N 381.429 -0.399 30 20 GBED O=C(O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840191321 SHXKOVKWZXPDBR-GOSISDBHSA-N 396.465 -0.326 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CCN2CCOCC2)C1 1842838575 IILDKIJBLIAVBZ-PLNGDYQASA-N 390.484 -0.230 30 20 GBED C=CCNC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 15609220 ISHAAJQKMKOLGD-UHFFFAOYSA-N 396.407 -0.012 30 20 GBED CNC(=O)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 268893927 PMHSSPMKDCIVEE-CYBMUJFWSA-N 393.469 -0.885 30 20 GBED N#Cc1cc(F)c(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)c(F)c1 275157494 SPNJUKUJWCQRPJ-SNVBAGLBSA-N 380.350 -0.291 30 20 GBED O=C(C/N=C(/O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCOCC1 329483496 QDSVYRDJTYIWOY-HNNXBMFYSA-N 382.461 -0.485 30 20 GBED N#C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CCO1 332539632 WBVTXXFLPHNGJA-CQSZACIVSA-N 396.444 -0.117 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[C@H]2O)c1C#N 349540019 XTFBITREEAZHQL-VXGBXAGGSA-N 391.475 -0.446 30 20 GBED COC[C@H](CCO)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 367796068 QMHDEGQBDCRCSB-LBPRGKRZSA-N 375.360 0.335 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cnc3cc(C)ccn3c2=O)CC1 374221647 ADOYWBNOMMBUTE-UHFFFAOYSA-N 381.436 -0.100 30 20 GBED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 374463916 AYYULOZKGVAKPX-UONOGXRCSA-N 396.535 -0.305 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCCC[C@H]1NS(C)(=O)=O 409501177 LHETXBOOAWUNAM-OLZOCXBDSA-N 382.508 -0.457 30 20 GBED CNC[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 418967116 RQSCAZJEZVVGLS-SJORKVTESA-N 383.452 -0.014 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)NCCNC(=O)c3cnccn3)CC2)c1C#N 472103447 FHAYGRBCRNPJHV-UHFFFAOYSA-N 397.443 -0.348 30 20 GBED Cn1cc([C@H]2CN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)C[C@@H]2C(N)=O)cn1 505494917 LCDSXAAWKDQCPP-CVEARBPZSA-N 392.419 -0.092 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O 519768376 HUKLEVORTQKIPZ-PDWCTOEPSA-N 391.515 -0.371 30 20 GBED C=CC[C@H](CO)CNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 540421599 BZZHFTBNJPEYLU-LBPRGKRZSA-N 389.499 -0.037 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCOCCO)cc1 565230039 WCPDOAGNCLKYFE-LBPRGKRZSA-N 391.471 -0.494 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCc2nnn(C)n2)cc1 578453296 NBXWFZQGINLJNH-JTQLQIEISA-N 399.458 -0.731 30 20 GBED CCOC(=O)C1([S@](C)=O)CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 579973094 VFKYCBXRHVGVGD-SANMLTNESA-N 382.442 -0.764 30 20 GBED C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)CC1 609477124 TWBGWQMICFBVGU-GFCCVEGCSA-N 392.437 -0.950 30 20 GBED C[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(N)=O)C1 727007971 JGUZEMYGSHOEHB-DOMZBBRYSA-N 386.408 -0.056 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CCOCC)CC2)c1=O 732180850 PXGRWFYXPDHMHQ-UHFFFAOYSA-N 379.461 -0.845 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCc1nc(-c2nc[nH]n2)no1 748495530 RZVIYRAKPYLRLR-UHFFFAOYSA-N 389.353 -0.363 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2OC)c1=O 758060982 QGWBQCNWPOBTTM-UHFFFAOYSA-N 397.456 -0.183 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 761032159 GBUUBBWQUXWKCE-MRXNPFEDSA-N 378.454 -0.617 30 20 GBED Cn1c(=O)ccn(CC(=O)[C@@H](C#N)C(=O)NCc2ccc(F)cc2F)c1=O 786557139 FRAICWZKOSPLBS-GFCCVEGCSA-N 376.319 -0.150 30 20 GBED C[C@H](OC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C(=O)NC1(C#N)CCC1 787720260 JNKXGNPDXOVUBA-GGRQXOBESA-N 375.381 -0.357 30 20 GBED COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 802454847 XWQLNEBNUSTTSZ-HNNXBMFYSA-N 395.423 -0.390 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CCO[C@H](C#N)C1 820444258 HZZQPHZENUDDDT-CMPLNLGQSA-N 391.413 -0.716 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)n1ncc(C#N)c1N 820444539 KFRWPLNWRKIDRW-MRVPVSSYSA-N 387.385 -0.476 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2cccc(C(=O)O)c2)CC1 825618718 DYKNRNDOIDOMFY-UHFFFAOYSA-N 393.465 -0.028 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC2(C(=O)OC)CCC(C(=O)O)CC2)C1=O 833375895 ITIPKPCLYYQRNV-UHFFFAOYSA-N 395.368 -0.734 30 20 GBED C#C[C@H](C)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N=c2nc(C)[nH]n2C)cc1 848554301 SOBCBSVOJPIHHE-NSHDSACASA-N 397.482 -0.012 30 20 GBED C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)N=c1ccnc2n(C)[nH]cc1-2 848965779 XAUCUBKOKMFPNC-NSHDSACASA-N 385.471 -0.585 30 20 GBED C/N=C(/NCCN1CCOCC1)NCc1ccc(OC)c(S(N)(=O)=O)c1 849080756 QBQROKUYGWXMBF-UHFFFAOYSA-N 385.490 -0.660 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 850710748 KVVLXYPPLUGOOS-UHFFFAOYSA-N 392.500 -0.503 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 872515975 ZOZJOTTYNNQPHJ-UHFFFAOYSA-N 385.467 -0.605 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)[C@H](CCC)C(=O)OCC)CC1 881908887 WBOPYEQDZAZWPY-OAHLLOKOSA-N 387.502 -0.195 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@@H]1O 964610443 COAFOIGMDAPGBE-UXOAXIEHSA-N 376.413 -0.937 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CN2CCCCCC2=O)C1 970773378 SDVPMQKXOOJBGF-WCVJEAGWSA-N 379.457 -0.332 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 974726630 XFXCWGYDXUKLQF-OLMMMNRUSA-N 390.484 -0.541 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn(C2CN(C(=O)[C@@]34COC[C@@H]3C4)C2)nn1 994719793 LQXWCGJKGKNLPW-BVNXPQQUSA-N 387.440 -0.095 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(OCC)cn2)C[C@H]1O 1025712465 MFHXVFJABKBOTP-NGFQHRJXSA-N 376.413 -0.232 30 20 GBED N#Cc1nccc(N2CCN(C(=O)[C@@]34COC[C@@H]3C4)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 1054788273 UUOOGVCBDDOLBR-JRATXPSKSA-N 389.437 -0.801 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCN(CCNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1055645832 JQIRHSXBDZAOMF-YVSFHVDLSA-N 392.500 -0.214 30 20 GBED C=CCCOCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1061763121 CHDSIDGCQOAMDV-NBOOPKSLSA-N 382.457 -0.026 30 20 GBED C=C(Cl)CN1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094659678 JZGZPVCZJZKJCU-ZOBORPQBSA-N 389.905 -0.050 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC1OCCCO1 1109191120 VSUVQAAIUHIAQK-RDBSUJKOSA-N 380.445 -0.127 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnc(O)n1C 1109595022 MDEBVKWEPFUPPE-WOPDTQHZSA-N 376.417 -0.527 30 20 GBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CN(C)C1=O 1111371187 XZVHQSQETLBVLN-DGAVXFQQSA-N 377.445 -0.707 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2ccc(N3CCCC3)cc2)c(=O)n(C)c1=O 1116327389 QYMOZGXNLSJLGW-UHFFFAOYSA-N 391.453 -0.003 30 20 GBED N#CCC1(O)CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C1 1116678485 NQLVEAFOVRATGO-UHFFFAOYSA-N 383.401 -0.053 30 20 GBED N#Cc1cn(CCC(=O)N2CCC(N3CCCOCC3)CC2)c(=O)nc1O 1161028775 NCFUWLBLWQAGGP-UHFFFAOYSA-N 375.429 -0.076 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1OC 1213551651 YWHNOAPBKZDDSU-JJXSEGSLSA-N 389.518 -0.278 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCO1 1257321343 SIAUBDJJAGYTLK-WBVHZDCISA-N 399.451 -0.245 30 20 GBED C=C(C)Cn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1263295361 WVEQVFIMFSCBJU-CYBMUJFWSA-N 382.490 -0.119 30 20 GBED N#C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CCO1 1318567612 OAQCWHATMFGBSG-GFCCVEGCSA-N 380.426 -0.465 30 20 GBED N#CCN1CCC[C@@H](CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 1318920907 XTZPRYBNBVITMD-KBPBESRZSA-N 395.485 -0.496 30 20 GBED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ncn(CC(=O)NC)n2)c1 1320547421 HSDYZNXGWLMQGH-UHFFFAOYSA-N 397.395 -0.959 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1323589280 YBHJKHVAGVMKKE-ZIAGYGMSSA-N 391.490 -0.797 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)[C@H](CO)c1ccc(OC)cc1 1329801595 MRVUMDGVKUOVAV-OAHLLOKOSA-N 384.454 -0.096 30 20 GBED C#CCN1CCCC[C@H]1c1nnc(N2CCO[C@@H](C(N)=O)C2)n1CCOC 1341505988 KRNTUBOYVLHGMR-LSDHHAIUSA-N 376.461 -0.225 30 20 GBED COCCn1c([C@H]2SCCNC2=O)nnc1N1CCN(CCC#N)CC1 1345082980 DZQZXBVHMDYREV-CYBMUJFWSA-N 379.490 -0.136 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]1(O)CCN(C(=O)CCOCc2cnn[nH]2)C1 1575111452 DVPMGANBTFZSNR-RVKKMQEKSA-N 393.444 -0.618 30 20 GBED C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CNC(=O)C1(Cc2cnn[nH]2)CCOCC1 1575177863 MQICRNICLUJYAQ-JSGCOSHPSA-N 378.433 -0.761 30 20 GBED N#Cc1cnccc1N1CCN(CCNC(=O)CCOCc2cnn[nH]2)CC1 1577719487 SKXLXOPTYIIFCL-UHFFFAOYSA-N 384.444 -0.084 30 20 GBED N#C[C@]1(C(=O)N2CC(n3cc(-c4nn[nH]n4)c(O)nc3=O)C2)C[C@H]2CC[C@H]1C2 1581856792 DHMURYMPBFGLFS-FJHFEUQMSA-N 382.384 -0.158 30 20 GBED N#Cc1nc(=NC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCO2)cc[nH]1 1581885242 STFZTZVOMAMGCA-SNVBAGLBSA-N 380.372 -0.769 30 20 GBED C=C[C@@](C)(O)CC(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[nH]n3)n2)C1 1588500576 ABKUMNBFFUDTGK-SJORKVTESA-N 388.432 -0.251 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)O)c1 1588847696 HAKZJNPGVLHCDH-ZDUSSCGKSA-N 381.410 -0.434 30 20 GBED COC(=O)c1ccccc1N(C)C(=O)Cn1c(N)nc(C#N)c1-c1nn[nH]n1 1591303896 FRKKRZIDKOKSJF-UHFFFAOYSA-N 381.356 -0.033 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O 1601073561 BXNPSLCFFZKPFX-IWIIMEHWSA-N 385.423 -0.560 30 20 GBED C[C@@]1(C(=O)O)CCN(/C(=N/CCCN2CCOCC2)NCCn2cncn2)C1 1603297111 HXOWOZYAXOMELL-GOSISDBHSA-N 393.492 -0.257 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1CCC[C@@H](C(=O)O)C1=O 1604815378 RGNSVPXKSMCJDZ-CHWSQXEVSA-N 386.412 -0.291 30 20 GBED CS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1 1712711601 RIKKBLVYLJYCNS-NSHDSACASA-N 378.418 -0.987 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1778980144 RCSYAKDZUWUKHB-XMDUPGNXSA-N 381.473 -0.888 30 20 GBED CC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779137724 DISXDHDKHGANJK-ABQTWSPHSA-N 376.413 -0.336 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780244921 SXLOGIDTPASWQJ-FZKQIMNGSA-N 376.413 -0.196 30 20 GBED Cc1nc2ncccn2c1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561921 PZARSQOXBRCDIE-LJQANCHMSA-N 397.391 -0.431 30 20 GBED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2 1784196479 WEUDZRYJERBHHF-LIRRHRJNSA-N 390.440 -0.392 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786694772 MUWAVTMXXNTGLN-FQUUOJAGSA-N 377.445 -0.283 30 20 GBED CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2)C(=O)O 1795643824 VJCFHQAICVODPF-FAXLKDOZSA-N 389.412 -0.848 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnnn1 1795859778 XMOVGAHATFXOJM-GUIRCDHDSA-N 379.421 -0.936 30 20 GBED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(=O)C(F)(F)F 1797654414 IXFYEZXRTHMZJG-DDFAGTSDSA-N 377.319 -0.015 30 20 GBED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S 1800981592 XTPMTQHCXDEJGR-NWBUJAPZSA-N 393.531 -0.778 30 20 GBED CS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1806771010 DFJCMBLDBZIYFN-DYVFJYSZSA-N 393.421 -0.780 30 20 GBED N#CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816670387 SKXXEGAJLFZKPW-SSDOTTSWSA-N 399.396 -0.591 30 20 GBED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1831465590 GQNWSOLUPOQGRF-HXUWFJFHSA-N 391.468 -0.229 30 20 GBED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1831470782 IKFXNZOLSSXTHJ-LJQANCHMSA-N 392.456 -0.339 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc[nH]3)CCO2)C1 1833712759 OOQPRJPPYIOLHS-KSSFIOAISA-N 376.413 -0.482 30 20 GBED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cn1 1834532294 LTKJLSUUHWQXFK-SJCJKPOMSA-N 396.469 -0.127 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCSC(=N)N)CCO3)C2)CC1 1835647626 GOMHOXWZBGUYBJ-KRWDZBQOSA-N 395.485 -0.237 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1840161778 ALLUIHFNNJWDFQ-MEDUHNTESA-N 382.442 -0.430 30 20 GBED Cn1cc(S(=O)(=O)NCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cn1 47075087 JJOYCORVODXJFR-UHFFFAOYSA-N 389.441 -0.686 30 20 GBED C=CCCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 66318630 HSEMLWVUHVHSGN-KBPBESRZSA-N 394.515 -0.371 30 20 GBED N/C(=N/CCS(=O)(=O)N1CCSCC1)N1CCN(c2ncccn2)CC1 262536828 PYBKJWZMNQNWEX-UHFFFAOYSA-N 399.546 -0.708 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCN2C(=O)CCC2=O)cc1 265076928 VNQIKJSZYOJHNG-UHFFFAOYSA-N 378.410 -0.243 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CC1 269822785 YNWAPYLEXOBZHB-OAHLLOKOSA-N 395.485 -0.710 30 20 GBED N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 274314071 VGLQJJOWUKOMJQ-INIZCTEOSA-N 388.453 -0.060 30 20 GBED COCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 289485855 OOALQDDPGLFANJ-UHFFFAOYSA-N 388.471 -0.374 30 20 GBED COC[C@@H](NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[C@@H]1CCCO1 289642057 JOCITJGJCFUVMM-CVEARBPZSA-N 387.440 -0.088 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCn2ncnc21 349522015 UJZJYJZLAQFHPO-GFCCVEGCSA-N 390.491 -0.371 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCN(C)C(=O)[C@@H]1C 349604255 SUPKPNCHEXZBDJ-RYUDHWBXSA-N 380.492 -0.910 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@H]2CN3)C[C@@]12C(=O)Nc1ccccc12 423723594 LTZPREJGKHIUQP-CWMDILNDSA-N 379.420 -0.179 30 20 GBED CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 443721868 UIFWKIBLRWOEMW-UHFFFAOYSA-N 396.473 -0.154 30 20 GBED C=CCNC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)F)cc1 514680486 YBSAGBLBLTVQMT-UHFFFAOYSA-N 397.425 -0.190 30 20 GBED COC[C@](C)(O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 565228060 FFFNJTHRVNZXHN-CQSZACIVSA-N 391.471 -0.494 30 20 GBED COCC[C@H](COC)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 571537247 ZVVODZCLBKPTMZ-GFCCVEGCSA-N 391.471 -0.182 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H]3CCN(C4CC4)C3)CC2)c1C#N 580352461 WPWKNXXGWJVCHY-HNNXBMFYSA-N 399.499 -0.151 30 20 GBED COCC(=O)NC1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 589315630 IECZPCLIZSOYFL-UHFFFAOYSA-N 394.453 -0.410 30 20 GBED Cn1cnc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CC(C#N)C3)cc2)n1 594501381 ZPKACEPQHJOOIS-UHFFFAOYSA-N 382.427 -0.240 30 20 GBED C[C@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2ncc(C#N)s2)CO1 594640194 KHMFLDJKGIUWLV-VHSXEESVSA-N 394.500 0.243 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 596749243 PTYQSCIBRZAADH-FPMFFAJLSA-N 394.457 -0.620 30 20 GBED CN([C@H]1C[C@@H](C(N)=O)C1)S(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 600764603 SOMZIOXDZKJSKF-PHIMTYICSA-N 386.455 -0.627 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 728534554 MYWMYIKVYRFNSH-UHFFFAOYSA-N 388.380 -0.127 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(N3CCNC3=O)c2)CC1 742066037 XCEVNHRTNORYKL-UHFFFAOYSA-N 399.451 -0.268 30 20 GBED C=CCSCCNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 803209732 FPFISBUTFRIGEH-UHFFFAOYSA-N 377.532 -0.353 30 20 GBED C#CC[C@H](CO)NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 820070054 PQFUWVDXUCQVAS-OAHLLOKOSA-N 396.465 -0.241 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCOC[C@H]1C#N 820438049 GWUBWMAEDQLLMX-ZYHUDNBSSA-N 391.413 -0.716 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C2CCN(CC(F)F)CC2)CC1 831575104 XMHYGOAHXFSJGX-UHFFFAOYSA-N 378.445 -0.425 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 850605809 MLMBXUGNPUPAFT-GXTWGEPZSA-N 384.385 -0.296 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 850710386 BWDQBLCRHXRIFQ-UHFFFAOYSA-N 378.473 -0.749 30 20 GBED N#Cc1ccc(CS(=O)(=O)NC(=O)CN2CCCS2(=O)=O)c(F)c1 861013700 QLEKPRBEYRDSKZ-UHFFFAOYSA-N 375.403 -0.321 30 20 GBED C#CCSCC(=O)NCCC(=O)N1CCN(C(=O)CSCC#C)CC1 897257000 BWKLFAPODGOWJR-UHFFFAOYSA-N 381.523 -0.104 30 20 GBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)c(F)c1 1041449264 MMOBMSQZJSRNGL-BHQQPIICSA-N 376.388 -0.190 30 20 GBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2CCCS2(=O)=O)nn1 1055227960 PKCKDUFUYOPDMP-RDBSUJKOSA-N 376.442 -0.390 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1110716272 VNODYZPVJMSETD-AMVBZWJASA-N 389.374 -0.196 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCN(C)C1=O 1110921646 VSENAIGHNDVNCG-RQJABVFESA-N 377.445 -0.802 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 1118563856 WLBHTZKNARMYLM-KBPBESRZSA-N 388.490 -0.966 30 20 GBED CC(C)OCCN1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1118987162 PZHYUDIKCXEGQO-QGZVFWFLSA-N 377.489 -0.246 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCCN3C(=O)CCC3=O)CC2)cc1 1258427080 IQFWCSYFGGCLFY-UHFFFAOYSA-N 397.435 -0.532 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 1318923117 IKNRZGSVDYTYEE-LBPRGKRZSA-N 386.455 -0.839 30 20 GBED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NCc1ccc(C#N)cn1 1324705347 CCZWRIREGZILFJ-AWEZNQCLSA-N 379.442 -0.212 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCNc2nccc(C(F)(F)F)n2)C1 1329323597 XZKNKNFTFDPIMC-AWEZNQCLSA-N 386.334 -0.099 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)CC2)cc1 1332059354 FEJPXMXXZHNBHP-MRXNPFEDSA-N 382.424 -0.557 30 20 GBED Cc1cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)ccc1-n1cnnn1 1341788592 ZKBSRRQLHXANAA-CYBMUJFWSA-N 388.409 -0.450 30 20 GBED C=CCn1c(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nnc1[C@@]1(O)CCOC1 1352140836 OSOBWOLULHVIPM-IFXJQAMLSA-N 390.488 -0.139 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCOC[C@H]3CCO)CC2)cc1 1356408404 JDBRHMQYMFYSMC-GOSISDBHSA-N 386.452 -0.188 30 20 GBED N#Cc1cn(CC(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)c(=O)nc1O 1465242965 UJEZSFQZNPVCDE-UHFFFAOYSA-N 385.355 -0.169 30 20 GBED C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1nnnn1C 1514766238 GFWCSFQFZVUIJX-JTQLQIEISA-N 377.430 -0.094 30 20 GBED C#CCN(C(=O)CN(C)CC(=O)NC(C)C)C1CCN(Cc2cnn[nH]2)CC1 1574895462 VFJKARWELBMVDU-UHFFFAOYSA-N 389.504 -0.313 30 20 GBED N#Cc1cc(C(=O)NC[C@@]2(O)CCN(c3ncccc3-c3nn[nH]n3)C2)c[nH]1 1581866281 XBXYYEOWHKBFIO-KRWDZBQOSA-N 379.384 -0.167 30 20 GBED C#CCOCCC(=O)N1CC2(CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 1588360067 HIMTZCKRCPJIFG-UHFFFAOYSA-N 383.412 -0.091 30 20 GBED C#CCOCCC(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[nH]n2)C[C@H]1O 1588362484 GDICUVXQCNBGRH-RKDXNWHRSA-N 397.848 -0.318 30 20 GBED C#CCN(CC(=O)O)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 1588408777 DONMRDCAADIWCO-UHFFFAOYSA-N 383.426 -0.471 30 20 GBED CN(C[C@H](O)CN(C)c1ccc(-c2nn[nH]n2)nn1)C(=O)c1cc(C#N)c[nH]1 1604720749 XSJSYRLDPJQOML-LLVKDONJSA-N 382.388 -0.574 30 20 GBED N#Cc1cn(CC(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)c(=O)nc1O 1631689749 IKWGCFPJCGVZHD-HUUCEWRRSA-N 375.429 -0.295 30 20 GBED N#Cc1cn(CC(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)c(=O)nc1O 1635041844 DQRQDBNSXWCWAA-AWEZNQCLSA-N 397.391 -0.383 30 20 GBED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)COCCO)CCO2 1779104970 IJWMBDHGGWJQEX-FHIITYSISA-N 399.444 -0.646 30 20 GBED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)C2 1782181561 UFYCHZWSPUXANC-APNQJHFZSA-N 386.518 -0.589 30 20 GBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1783052613 CCJDYWIVGSFUKF-GOSISDBHSA-N 388.449 -0.645 30 20 GBED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)NC(=O)OCC)C[C@@H]32)C1 1783463743 ADVXILBFWRDHLT-QEWYBTABSA-N 395.456 -0.003 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784388588 YWRAZMYVGCJAAM-DYVFJYSZSA-N 393.469 -0.235 30 20 GBED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787089356 PUHWOFDFSIWGLT-JYJNAYRXSA-N 392.460 -0.364 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C[C@@H]21 1790790672 ZMOGGVXHRSBKJY-MJVIPROJSA-N 392.437 -0.935 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncccn3n1)C2 1793344263 KTUROQQJTBRNOH-AFIMGQEJSA-N 397.435 -0.029 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2 1793355806 OHVJTPXKFZQRMR-CUSZFKRNSA-N 381.473 -0.501 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)[nH]1 1798180437 LTVBQXTXEZQJGP-XCCSTKFXSA-N 378.429 -0.108 30 20 GBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCN(C)CC1)C2 1802019706 CZEJLNGIYAUPDF-XEMDLRDOSA-N 376.501 -0.373 30 20 GBED N#CCCC(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1806864243 UKPLPILRQCMHLU-JJRVBVJISA-N 398.423 -0.011 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)C2)[C@H]1c1cccnc1 1812880403 NFUQDWFPVDKEAT-IYOUNJFTSA-N 384.392 -0.689 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1830054118 FUTSOXHVBKYIPI-SFHVURJKSA-N 389.412 -0.198 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1831391950 YHBHWJUBXSMJJB-LPHOPBHVSA-N 390.440 -0.622 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833827405 DRCDVNNNYLYJKU-GOSISDBHSA-N 389.412 -0.198 30 20 GBED COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1833864125 DHKCMRVXMYUPOH-SJKOYZFVSA-N 398.485 -0.183 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1834763332 BLDQOMAQFGWDNB-QGZVFWFLSA-N 389.368 -0.842 30 20 GBED O=C1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)N1 1835115175 WYLCNPFIZQQICY-KXBFYZLASA-N 375.425 -0.865 30 20 GBED Cc1nc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)no1 1835355088 UAFDLPQZBVHNAB-KRWDZBQOSA-N 377.401 -0.319 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1840162541 ZPVGNOZKSYVAMI-UGSOOPFHSA-N 395.481 -0.226 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840568942 XAOGXOWUDLFJST-BEFAXECRSA-N 379.457 -0.957 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC(=O)C3)CCO2)C1 1840831103 UHFZJBXDVIHPLY-LIRRHRJNSA-N 378.425 -0.540 30 20 GBED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O 1847803691 JXJSMWUHQWBNRL-KBPBESRZSA-N 378.429 -0.277 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 38337615 RLPVDNQDLCLOAQ-UHFFFAOYSA-N 381.454 -0.241 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCNC(=O)c2cccc(O)c2)C1=O 263807118 PVDQLMYYNKZKDJ-UHFFFAOYSA-N 388.380 -0.395 30 20 GBED CCOC(=O)C1CCN(C(=O)CN(C)c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 263916602 TZDPBQKDWFOYFB-UHFFFAOYSA-N 391.428 -0.806 30 20 GBED COCC(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 268844092 UXPCLLCDPPHFLJ-ZDUSSCGKSA-N 394.453 -0.458 30 20 GBED C=CCS(=O)(=O)CCNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C 273077556 LWVQPJPMSNAAMG-UHFFFAOYSA-N 391.427 -0.119 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@@H](CO)Cc1ccncc1)c1cc[nH]n1 281941987 SDVBQURNDGGKNK-GHOZOMOVSA-N 375.385 -0.192 30 20 GBED CN1C(=O)C[C@H](/C(O)=N/CCN2CCS(=O)(=O)CC2)[C@H]1c1ccnn1C 328803011 JWYCTXGCKFWTCQ-WFASDCNBSA-N 383.474 -0.374 30 20 GBED CN1C(=O)[C@]2(CCN(/C(O)=N/[C@H]3CCN(CC(F)(F)F)C3=O)C2)N=C1O 329469040 XSWYWWCLGHHJRV-ISVAXAHUSA-N 377.323 -0.106 30 20 GBED C[C@H](C(=O)N/C(O)=N/C(C)(C)C)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 330651588 MHOPWJHTVXOZSS-CYBMUJFWSA-N 397.476 -0.793 30 20 GBED CCS(=O)(=O)NCCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 372851542 IMFMCTOBBSSSQF-HNNXBMFYSA-N 393.469 -0.102 30 20 GBED CC(C)[C@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)N1CCO[C@H](C#N)C1 410140993 DFJUOTRBDWDZGF-YNEHKIRRSA-N 376.504 -0.009 30 20 GBED CCOC(=O)c1c(NC(=O)C(=O)N2CC(C(=O)NC)C2)c(C#N)cn1CC 421209597 ZFIRMSJDSMPYIG-UHFFFAOYSA-N 375.385 -0.301 30 20 GBED COC(=O)c1cn(C2CN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)C2)nn1 433667598 RHEWEJBKXPGYSU-UHFFFAOYSA-N 380.364 -0.091 30 20 GBED Cn1cc(S(=O)(=O)NCC(=O)N2CCN(c3ccccc3C#N)CC2)cn1 505669713 CLVLMGUQQJBGTO-UHFFFAOYSA-N 388.453 -0.081 30 20 GBED N#CC1(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CCC1 527377610 DTBVFMVCMWJBBH-UHFFFAOYSA-N 395.441 -0.753 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnnc3O)CC2)cc1 542012388 CPKCROQDUSPICN-UHFFFAOYSA-N 376.398 -0.612 30 20 GBED C[C@H]1CN(C(=O)NCCn2cnc(C#N)n2)CCN1c1nccn2cnnc12 553966348 HGIHJACRYHSTLH-LBPRGKRZSA-N 381.404 -0.492 30 20 GBED N#Cc1c[nH]c(=O)n(CC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)c1=O 567470895 UBHSVYSHCQUIHK-AWEZNQCLSA-N 394.453 -0.243 30 20 GBED CC[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOCC1 583754211 DFDDKYIOFHOAGN-HNNXBMFYSA-N 394.453 -0.410 30 20 GBED N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)n1 589309658 ZKUQGNFMTYRLPJ-UHFFFAOYSA-N 389.393 -0.208 30 20 GBED CCOC[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCO1 599544477 LJYZDUZINQMGPO-INIZCTEOSA-N 387.440 -0.134 30 20 GBED CC(=O)NCC(=O)N1CCCN(C(=O)Nc2cc(C)n(CCC#N)n2)CC1 599764250 DFSCMVAMFXCTGJ-UHFFFAOYSA-N 375.433 0.308 30 20 GBED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)CC(=O)NC1(C#N)CCCCC1 603806680 LRIUXFVXWBUHDT-AWEZNQCLSA-N 384.502 -0.046 30 20 GBED C#CCNC(=O)C1CCN(C(=O)NCCCN2CCC[C@H](C(N)=O)C2)CC1 729508042 ZFJAYZPUBSZFCV-INIZCTEOSA-N 377.489 -0.255 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](O)CN2CCOCC2)cc1 751429742 FHVQVWGELPWWIZ-MRXNPFEDSA-N 395.481 -0.637 30 20 GBED C#CCSCCNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 759029857 GKKUMQAQTZYFHT-UHFFFAOYSA-N 379.442 -0.837 30 20 GBED CCO[C@H](CNC(=O)c1cc(C#N)c[nH]1)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 825576896 PVUJJTDSCNVLER-GFCCVEGCSA-N 397.399 -0.041 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(OCC(F)F)ccn2)CC1 831568883 TVYVUJMCYYPLNK-UHFFFAOYSA-N 388.396 -0.049 30 20 GBED N#Cc1c[nH]c(=O)n(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1=O 842616117 RNOGJBBFFJPUID-UHFFFAOYSA-N 384.352 -0.335 30 20 GBED CS(=O)(=O)N=S1(=O)CCN(CC(=O)NCc2cccc(C#N)c2)CC1 846916642 NRLOPJAUVIOWLQ-UHFFFAOYSA-N 384.483 -0.082 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccco2)N(C)C)CC1 891500892 XPPDYLDXFZBPQG-CQSZACIVSA-N 383.474 -0.323 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2ccc(OC)cn2)C1 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C#CCNC(=O)C1CCN(C(=O)C(=O)NCCNC(=O)c2ccc(C)cc2)CC1 1117292899 FLAMZRNRADBYOK-UHFFFAOYSA-N 398.463 -0.171 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1)[C@@H]1CCCO1 1117544895 RDCPHBBITBEAHZ-YDHLFZDLSA-N 389.412 -0.475 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCO[C@@H](C(F)F)C1 1119071415 LNYZJVVLTUIVJL-DGCLKSJQSA-N 394.382 -0.122 30 20 GBED C#CCNC(=O)CN1CCN(c2cnc(I)nc2)CC1 1328518870 PQERDFYMFSBQIO-UHFFFAOYSA-N 385.209 -0.047 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CCN)CCN1C1CC1 1330452447 JUGDIHKBYLLSJY-CVEARBPZSA-N 390.488 -0.969 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 1332110556 WIEYXKFAYJMWCV-INIZCTEOSA-N 394.516 -0.025 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCc1cccc(C(=O)N(C)C)c1 1342644968 WQDZBADFLQOFLU-UHFFFAOYSA-N 395.481 -0.236 30 20 GBED COC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CCO[C@@H](C#N)C3)CC2)s1 1348326460 COMCLMHFVOXTPQ-LBPRGKRZSA-N 392.437 -0.066 30 20 GBED C[C@H](C#N)C(=O)N(CCO)C1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 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389.445 -0.009 30 20 GBED CN1C(=O)NC2(CCN(S(=O)(=O)c3ccc(C#N)cc3C(=O)O)CC2)C1=O 1598556373 FLNKEGYHZNRYCU-UHFFFAOYSA-N 392.393 -0.039 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](C(=O)O)[C@H]2CCOC2)cc1 1601111484 GBKPMACBQMJOMV-GXTWGEPZSA-N 381.410 -0.310 30 20 GBED C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCO1 1609018721 DRQIYXLARRULRV-KGLIPLIRSA-N 390.425 -0.558 30 20 GBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)CCO2 1783046254 LFMQGCJMRRVVTA-YWMUFLPLSA-N 399.447 -0.371 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1783558540 RGKWQJRUKSJUGH-LJQANCHMSA-N 397.391 -0.651 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1 1788552518 REJSPBWSSRSVKT-OSFYFWSMSA-N 378.429 -0.567 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)C[C@@H]21 1788576026 HPKKYXLNNXHHMD-XFIYOXNOSA-N 393.484 -0.325 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC)NC(N)=O)C2 1793342680 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C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833836931 HQFZWRLUSOBWIW-ZBEGNZNMSA-N 382.442 -0.430 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1834755974 GNDSKPYLRGENPA-INIZCTEOSA-N 392.372 -0.839 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccs1)CCO2 1836091844 DGORUNNXZQNBGX-GOSISDBHSA-N 392.433 -0.165 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnncc1C(=O)O)CCO2 1837945907 PHWANSMBHCCPQZ-QGZVFWFLSA-N 389.368 -0.842 30 20 GBED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839875473 NFGCNDVHQQMLAA-FZKQIMNGSA-N 380.445 -0.483 30 20 GBED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1840292511 VBCFDALYZFESEQ-LJQANCHMSA-N 379.457 -0.275 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840568945 XAOGXOWUDLFJST-KXBFYZLASA-N 379.457 -0.957 30 20 GBED C/C(=C/C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)C(=O)O 1840835743 FUUBFCUILWTHPJ-CPPNXCSESA-N 376.409 -0.113 30 20 GBED CC(C)[C@H](S)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1841625152 QHBMGCQKDXUWGM-LBPRGKRZSA-N 391.457 -0.416 30 20 GBED CS(=O)(=O)c1cncc(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)c1 1842189939 XYOPEGQBTCUBED-UHFFFAOYSA-N 391.405 -0.610 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCn3cncn3)CC2)cc1 263815043 ICTCSRBIXIYRET-UHFFFAOYSA-N 389.441 -0.134 30 20 GBED C#CCOc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 265977326 XQQQCJMRBMDKNC-SJORKVTESA-N 378.450 -0.074 30 20 GBED C=CCNC(=O)CNC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 271947473 ATYAPMYEPBGGJS-UHFFFAOYSA-N 387.483 -0.136 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)C1=O 273180803 PZVOMWFCBKDLHI-CQSZACIVSA-N 399.407 -0.334 30 20 GBED C#CCOc1ccccc1NC(=O)C(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 275718910 VREYNQVBKHYRCT-CYBMUJFWSA-N 380.422 -0.355 30 20 GBED C#C[C@@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 276042904 SIWPQEHQTWINCP-GFCCVEGCSA-N 395.437 -0.208 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]1C(N)=O 349465962 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GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCNC(=O)Cc2cccc(F)c2)C1=O 522257883 QMKIXDCBQJETFR-UHFFFAOYSA-N 390.371 -0.423 30 20 GBED CC[C@@](COC)(NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 565023802 DUKIXJQLKPGZFO-INIZCTEOSA-N 383.426 -0.079 30 20 GBED N#CC1(NS(=O)(=O)c2ccc(S(=O)(=O)NC[C@H](O)C(F)F)cc2)CC1 580095579 ZARNOTYTPBQTOO-NSHDSACASA-N 395.409 -0.075 30 20 GBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@H](O)COc1ccccc1C#N 599313883 PXAIHRUEUGVQTG-GJZGRUSLSA-N 381.454 -0.467 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC(NS(C)(=O)=O)C2)cc1 627838912 UIVMKPJCOMAECO-UHFFFAOYSA-N 380.426 -0.699 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)NCCS(=O)(=O)N2CCOCC2)cc1 726981990 HHUJBSHJLKLXDK-UHFFFAOYSA-N 380.426 -0.934 30 20 GBED Cn1cc(S(=O)(=O)NCC(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)cn1 734575367 XCYOIEUYSFYQLQ-CQSZACIVSA-N 377.382 -0.660 30 20 GBED COC(=O)CN(CC(=O)O)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 737609250 UUQYKHLBSIYUFX-UHFFFAOYSA-N 383.382 -0.503 30 20 GBED N#Cc1nc(NC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)[nH]c1-c1nn[nH]n1 737705188 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C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2cnn(C)c2)C(C)C)CC1 896725148 YRIYRRMDJDWXLO-HNNXBMFYSA-N 382.490 -0.088 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 970049204 YLKJBTCBSRWOAD-KXKVQDCLSA-N 377.441 -0.188 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 994648368 TTZHWEUNAGJMCE-SYQHCUMBSA-N 378.429 -0.660 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2c(C)csc2=O)C1 1023679151 NQTZWHXHYFSKJR-SYQHCUMBSA-N 381.454 -0.503 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C)C1=O 1325676351 DARBGJBSALGVJD-LBPRGKRZSA-N 388.490 -0.934 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)C1 1326248603 JWSBXWLESCJOHQ-OAHLLOKOSA-N 390.362 -0.219 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C[C@@]1(C)CO 1327351647 GEDDGXVURWGOFV-LPMFXHHGSA-N 386.456 -0.138 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCCN2CCC[C@@H]2C1 1330022457 RPGUEOAVEKFRLQ-CQSZACIVSA-N 378.520 -0.338 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)NCCCOC)CC2)C1=O 1339112736 YRCXLWKHGPJSPO-UHFFFAOYSA-N 394.428 -0.646 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2C 1339865122 NKPJEXFPLOHVHU-UHFFFAOYSA-N 381.410 -0.303 30 20 GBED C=C(C)Cn1c([C@H]2CNC(=O)C2)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 1341938643 WDBSYFXLLQWRBC-OLZOCXBDSA-N 382.490 -0.024 30 20 GBED Cc1ccc(CC(=O)N2CCN(C(=O)C(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 1348213151 IGCRWOOTAFTKLK-KRWDZBQOSA-N 384.436 -0.041 30 20 GBED C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 1348688249 HFPMYPGARLVMAU-OAHLLOKOSA-N 389.378 -0.286 30 20 GBED N#Cc1cn(CC(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)c(=O)nc1O 1544536338 OUCIECCSHCLWHB-UHFFFAOYSA-N 399.382 -0.127 30 20 GBED CCCS(=O)(=O)NC1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1577694301 ASANNVKGSUSGJT-UHFFFAOYSA-N 377.434 -0.173 30 20 GBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c(F)c1 1581878097 VJEBDRZCVPQIKJ-CHWSQXEVSA-N 383.347 -0.420 30 20 GBED C#CCN(C(=O)C(=O)Nc1sccc1-c1nn[nH]n1)[C@H]1CCS(=O)(=O)C1 1588346891 BFEWBGIXQHLYLK-VIFPVBQESA-N 394.438 -0.484 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 1588354368 XQJLJNXBMIVEQM-UHFFFAOYSA-N 392.401 -0.636 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cn1 1588366897 CUFGIQMQSNJTNS-ZDUSSCGKSA-N 380.368 -0.908 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)O)CC1 1588483959 NJQLTYLAMWMRBP-HUUCEWRRSA-N 385.486 -0.283 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588505303 PCFSKFQYXQFHAU-IRXDYDNUSA-N 389.416 -0.785 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)cc1 1588843865 JXPYQZIWSAHDAN-GXTWGEPZSA-N 375.381 -0.165 30 20 GBED C[C@@H](NCC(=O)NCC#N)[C@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1589959065 SLJQKKGPXITMRS-BXUZGUMPSA-N 385.432 -0.193 30 20 GBED N#Cc1nccc(N2CCOC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 1592708622 DMXIMUBGNMFILY-NSHDSACASA-N 380.372 -0.508 30 20 GBED C#CCOCCNC(=O)C(=O)N[C@@H]1CCN(c2sccc2C(=O)O)C1=O 1602728034 JXUPJNVWKYVNGP-LLVKDONJSA-N 379.394 -0.566 30 20 GBED CCN(CC)CC(=O)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1616472265 XBIFYONGXQJCFK-UHFFFAOYSA-N 390.444 -0.777 30 20 GBED C[C@@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)CN1CCN(C)CC1 1631652167 MXOHPOHXGBHHQZ-ZDUSSCGKSA-N 377.449 -0.997 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)c1cnn(C)c1 1639760746 VSQPYEQTNDJIJP-LLVKDONJSA-N 375.410 -0.042 30 20 GBED CNS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](C#N)C1 1748295219 UMOCIVSFIRYWIG-CYBMUJFWSA-N 391.457 -0.074 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)NC(C)=O)CCO2)C1 1778973329 ISVIWFADYQIQGZ-WTANOLMUSA-N 381.473 -0.086 30 20 GBED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=N)N)C[C@@H]32)cc1 1783603875 YXUUIMCYXZHNDL-ULQDDVLXSA-N 398.467 -0.436 30 20 GBED C#CCCC(=O)N1CC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1785423441 VKGYDBCZAZNTQE-HXUWFJFHSA-N 376.501 -0.133 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(F)(F)C(=O)O)C[C@@H]21 1791075742 UPJIKKNSWKSWON-DCAQKATOSA-N 388.323 -0.836 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)OC)[C@H]2C1 1791475517 VBWKQEPSAPFSJN-AJNGGQMLSA-N 381.429 -0.640 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1NC(=O)NC1=O 1794205294 JJBFKSZQLFVXPD-RKQHYHRCSA-N 378.429 -0.186 30 20 GBED N[C@@H](Cc1cscn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1796747964 LQBMOUHKEWCPBQ-GHYVTOPFSA-N 376.438 -0.261 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ncccn12 1797026484 PEWLZFTVBHDUQR-MPTYRVRUSA-N 397.435 -0.029 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)N1CCOCC1)C2 1798396737 QZNCRMWLMSBORY-DXWTWGPWSA-N 395.500 -0.152 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnn1C)C2 1799302677 JPLRSNHPPKYQSC-YWVIFJGQSA-N 391.428 -0.472 30 20 GBED COC(=O)C12CC(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)(C1)C2 1800705576 USSGWDGFBODORZ-OABJUUFFSA-N 390.392 -0.993 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O 1801528706 MPSZHHIJMQJHKP-YWVIFJGQSA-N 390.527 -0.070 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CNC(=N)N)[C@H]1c1cccnc1 1803543929 OTKDMPUVERSHNI-KMFMINBZSA-N 386.456 -0.391 30 20 GBED Cn1cnc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)n1 1805329281 NOYJRDSCRMXWSX-BBRMVZONSA-N 382.380 -0.382 30 20 GBED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1807196325 UBXIIIPFVXJIOW-ZGMNHVEMSA-N 393.513 -0.002 30 20 GBED COCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675219 XRYPYFRQRONOFM-IBGZPJMESA-N 396.488 -0.239 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527905 ZWDHWUHIJFHIJH-HUWVGRHQSA-N 394.428 -0.115 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOC)C2)C1 1839174440 BWIKWMWFBHDEQT-IBGZPJMESA-N 398.456 -0.011 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1839192361 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-0.009 30 20 GBED CN(CCOc1ccc(S(N)(=O)=O)cc1)c1c(C#N)c(=O)n(C)c(=O)n1C 292618285 DEAIOQNIHRQBGW-UHFFFAOYSA-N 393.425 -0.882 30 20 GBED CN(C)/C(O)=N/CCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 330620810 APPGXBSKLWDYRC-UHFFFAOYSA-N 389.503 -0.042 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1CO 349522915 XBCUXYSCBAREEM-OLZOCXBDSA-N 397.544 -0.566 30 20 GBED COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CCO1 377940204 LIVGEZXKDBXFCJ-GFCCVEGCSA-N 398.379 -0.132 30 20 GBED C[C@@H](C#N)S(=O)(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 416448534 HDVGVAXDASQZME-JTQLQIEISA-N 387.439 -0.338 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 437042484 NQEDYYFKTDAWPO-CZUORRHYSA-N 388.424 -0.062 30 20 GBED CCOC(=O)[C@@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 468784724 BFHMGCVTCQBKMT-ZBEGNZNMSA-N 383.426 -0.345 30 20 GBED N#Cc1cccc(NC(=O)CCN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 532707937 FXKJWGKERUMVCE-SJORKVTESA-N 392.481 -0.026 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cc1 574091483 HCNSTFWPFWBMMS-CQSZACIVSA-N 394.453 -0.309 30 20 GBED COC(=O)C[C@@]1(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CCOC1 593653560 QCOBBHDBBMIBIF-KRWDZBQOSA-N 377.401 0.287 30 20 GBED C[C@H](O)CCNS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 594618484 CWZUPYMUAGNYKR-LBPRGKRZSA-N 386.455 -0.226 30 20 GBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@@H](O)COc1ccccc1C#N 599313885 PXAIHRUEUGVQTG-LSDHHAIUSA-N 381.454 -0.467 30 20 GBED CCNC(=O)NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 600604689 JAZYGLAIUFGDLS-UHFFFAOYSA-N 379.373 -0.931 30 20 GBED C#CCNC(=O)CN1CCN(C[C@@H](O)COc2c(OC)cccc2OC)CC1 728571577 JDTOVOQPOKDENC-MRXNPFEDSA-N 391.468 -0.190 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 731630419 QHXSGMBBKJJFNU-UHFFFAOYSA-N 388.380 -0.320 30 20 GBED CNC(=O)CNC(=S)NN=Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 731926728 CTSWCDFWMGPKLS-UHFFFAOYSA-N 387.849 -0.243 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 737149781 MNNNWEFJOJTIME-UHFFFAOYSA-N 388.409 -0.233 30 20 GBED O=C(CNc1ccc(-c2nn[nH]n2)cc1)NCCN/C(O)=C1\N=CC=CC1=O 737896296 VWUZAXLCRYEALW-BMRADRMJSA-N 382.384 -0.079 30 20 GBED C#Cc1cccc(NC(=O)CNC(=O)CCn2cc(S(N)(=O)=O)cn2)c1 749404172 FEKGCVGXUVZTMK-UHFFFAOYSA-N 375.410 -0.343 30 20 GBED COc1ccc2c(c1)C(=NOCC(=O)NCCCN(C)S(C)(=O)=O)C(=O)N2 762706319 OMTOIAGEQOOVGY-UHFFFAOYSA-N 398.441 -0.234 30 20 GBED C=CC[C@@H](CO)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 823888387 KYJBPXSPMJSUHR-VXGBXAGGSA-N 394.457 -0.166 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)NC1CCC2(CC1)OCCO2 848967107 QDUHIUHUHKWHKE-LBPRGKRZSA-N 395.503 -0.187 30 20 GBED C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)C1 890520724 NPUFHVQJUTUNCW-UHFFFAOYSA-N 380.422 -0.464 30 20 GBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(C#N)c[nH]1 960197475 RYYUHRWBKURXNV-BFJAYTPKSA-N 385.424 -0.338 30 20 GBED CN1CCN(c2ccccc2CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1118152182 KZYPQZZXJNOPAW-FQEVSTJZSA-N 385.468 -0.068 30 20 GBED N#CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 1118619545 OSLSLQBMWZZTIG-IAGOWNOFSA-N 377.489 -0.339 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn3c(C)cc(C)nc23)CC1 1119054128 OWSMWLHFZDKUCJ-UHFFFAOYSA-N 376.442 -0.428 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1c1cn(C)cn1 1130628168 CFAOFOGTEAICJE-GITGPQGGSA-N 397.479 -0.523 30 20 GBED N#Cc1cn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)nn1 1307350549 UDZKLPMKGWVGLA-UHFFFAOYSA-N 378.389 -0.178 30 20 GBED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC(=O)NC)C1=O 1318155738 UUPNVGBHBNPQTB-LLVKDONJSA-N 377.426 -0.401 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)CCNS(C)(=O)=O)cc1 1318466986 DHHOMLPASFYQTN-UHFFFAOYSA-N 382.442 -0.452 30 20 GBED CC1(C)[C@H](NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@@H]2CCO[C@H]21 1322696382 WEOGEYQMBPAFNU-BRFMSJGGSA-N 376.413 -0.441 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NC[C@H]1COC2(CCCC2)O1 1323121424 SKFLTQCUYJHEJE-VCHHOEMESA-N 392.412 -0.569 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1323699104 PENQFYKVPRIBDS-UHFFFAOYSA-N 394.409 -0.293 30 20 GBED CNS(=O)(=O)c1cc(NC(=O)C(=O)NC2CCN(CC#N)CC2)ccc1F 1326758607 HQLCVCPTPHSBBZ-UHFFFAOYSA-N 397.432 -0.224 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)C1 1328269689 CWPLEPYRKADMEC-SJORKVTESA-N 382.486 -0.812 30 20 GBED COCC(C)(C)N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1329453223 MFTCVEJOMYQLBN-INIZCTEOSA-N 377.489 -0.246 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)CC1 1329457666 KCVAJSJNBJRTJF-OAHLLOKOSA-N 399.517 -0.131 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3[C@H]4CC[C@H]3CC(=O)NC4)CC2)nc1 1329930762 VPUYEASYCLJPFH-HOTGVXAUSA-N 396.451 -0.082 30 20 GBED C[C@H](NC(=O)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1)C(=O)N(C)C 1330252627 VMPDCQYNGAPXDP-LBPRGKRZSA-N 375.404 -0.061 30 20 GBED C=CCn1c(C2CCN(CCO)CC2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1338907435 XWKAUBMUMDOILB-OAHLLOKOSA-N 375.477 -0.150 30 20 GBED C#CCN1CCC[C@H]1c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC 1340825047 OLXTXJUUCQHFDU-INIZCTEOSA-N 399.499 -0.005 30 20 GBED CCOc1cccnc1N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1455689781 RMFDIILIYPPIAL-UHFFFAOYSA-N 384.396 -0.037 30 20 GBED CCCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1515117393 KZZVMWFWRIANHU-ZDUSSCGKSA-N 375.433 -0.345 30 20 GBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H](O)C2)cn1 1581871122 IGGRXADJEHBIFB-DOMZBBRYSA-N 379.384 -0.169 30 20 GBED N#Cc1ccc(NC[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCO2)nn1 1581873803 QMMFCQJUKFRGGF-GFCCVEGCSA-N 380.372 -0.190 30 20 GBED C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588351204 IWXHWWQYDHZTSM-WFASDCNBSA-N 384.444 -0.083 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588665367 JWAOHCDEXWAYHV-ZYHUDNBSSA-N 377.405 -0.665 30 20 GBED CCN(C1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1)S(C)(=O)=O 1590679695 HMKRPMLMOPEGSF-UHFFFAOYSA-N 377.434 -0.221 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H](OCC)[C@H](CN=c2cc[nH]cc2-c2nn[nH]n2)C1 1602726792 SYGIWWJFZMPTCN-CKEIUWERSA-N 399.455 -0.003 30 20 GBED COCC(=O)N1CCN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)CC1 1605038307 NULWKOVHSCSVNL-OAHLLOKOSA-N 383.412 -0.134 30 20 GBED CCOC(=O)c1cc2n(n1)C[C@H](C)N(S(=O)(=O)N1CCO[C@H](C#N)C1)C2 1622582196 KYIKKOMTAAIFLK-WCQYABFASA-N 383.430 -0.267 30 20 GBED CN1CC[C@@](O)(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)C1 1767515418 NVERUXSMDYRIQK-KDOFPFPSSA-N 389.460 -0.804 30 20 GBED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1779103873 CBBCPTRFMWPFJQ-WDEWIYFLSA-N 392.416 -0.223 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(C)=O)C[C@@H]21 1784483192 OGQAJBQCQTZRSW-ZAZJUGBXSA-N 379.457 -0.471 30 20 GBED O=C(/C=C/C(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(O)O)C[C@@H]21 1787509926 RFEILFSTWRQUPF-JPWDYYAESA-N 394.449 -0.223 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1829718525 SZLUTMVJGRJERD-IBGZPJMESA-N 395.525 -0.095 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1831433696 LVUXCFFCANYMJY-KDOFPFPSSA-N 383.445 -0.701 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2 1833828054 QKNIVSIYSMTREN-IBGZPJMESA-N 386.408 -0.334 30 20 GBED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1834770010 SCHMLHFUJKTQDE-AQKVLALTSA-N 390.436 -0.025 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cncn4)CCO3)C2)C1 1836130338 IYODGPNGTBDPOX-SFHVURJKSA-N 375.429 -0.299 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cncn4)CCO3)C2)c1 1836137430 LVYJKTOYZKJSBE-GOSISDBHSA-N 399.411 -0.752 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)C=C)CCO2 1837704628 YNPABARUUIVVPE-HNAYVOBHSA-N 377.441 -0.453 30 20 GBED CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838740510 OVPYIESSAYHUNW-GOSISDBHSA-N 389.412 -0.908 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1840157863 CEQZGKQTAPHNFH-DYVFJYSZSA-N 381.454 -0.292 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840161008 BPLNFYINZYUWQX-MEBBXXQBSA-N 399.429 -0.294 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1840173660 KZETWVYBKPRKJO-QAPCUYQASA-N 377.445 -0.053 30 20 GBED Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cn1 1840462761 QYQWHMYSOMFIAB-IBGZPJMESA-N 389.456 -0.031 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C2)C1 1840842109 NLGASHYWCYLMST-HNAYVOBHSA-N 379.457 -0.277 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)C(C)(C)NC(C)=O)C2 1841053070 TWJRNXICLQLROJ-FPLPWBNLSA-N 376.457 -0.037 30 20 GBED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)N1CCOCC1 1847806927 DEUCTOPVRJIZBV-XYJFISCASA-N 381.473 -0.178 30 20 GBED CS(=O)(=O)N1CCC[C@@H]1CN/C(=N\C1CC1)NC[C@H]1CCS(=O)(=O)C1 262467892 YOJVMZWFBKYZSU-TZMCWYRMSA-N 392.547 -0.457 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1=O 268423117 WYWADZCWKBKGBF-GFCCVEGCSA-N 397.395 -0.638 30 20 GBED COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN3CCO[C@H](C#N)C3)C2=O)cc1 269399186 CGAFULXTYOOTHB-KDOFPFPSSA-N 387.396 -0.282 30 20 GBED C#CCOc1ccc(C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1 276455413 VDAKSIIGCFGUSX-UHFFFAOYSA-N 383.408 -0.199 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NC1(c2ncon2)CCOCC1)c1cc[nH]n1 278895089 ZUEYLWQSVYVOOP-FYJGNVAPSA-N 392.372 -0.101 30 20 GBED CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)C(C)(C)C1 349456766 DQKWQEBOBMTUAY-OLZOCXBDSA-N 381.520 -0.027 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)NC[C@H]1CCCO1 349600799 JBJMAFYJOJVUPQ-QWHCGFSZSA-N 397.544 -0.254 30 20 GBED CN1C[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCC1=O 363688591 MWTKLNFNZJGTJB-LBPRGKRZSA-N 384.371 0.559 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cc1 364667941 BIXCVKCHFQVFHT-CQSZACIVSA-N 394.453 -0.180 30 20 GBED Cc1nn(C)c(N2CCN([C@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)CC2)c1C#N 472149116 BMMMZRYXOMSMFS-HUUCEWRRSA-N 387.488 -0.165 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)[C@H](NS(C)(=O)=O)C(C)C)CC2)c1C#N 472668348 ICTGHDNJQDRYGC-CQSZACIVSA-N 382.490 -0.177 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)cc1 473739374 FQCFOKOBKWWGRI-CYBMUJFWSA-N 379.442 -0.680 30 20 GBED N#CCNC(=O)CNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 511057459 LADLKOHVQZBZPK-UHFFFAOYSA-N 378.332 -0.103 30 20 GBED COC(=O)c1cc(S(=O)(=O)NCC(=O)NCC#N)c(C(=O)OC)s1 511058858 UWQGWZQCECULTL-UHFFFAOYSA-N 375.384 -0.761 30 20 GBED C[C@H](C(=O)NC1(C#N)CCC1)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 526055682 KZPLNJNUCGHVHD-HZPDHXFCSA-N 377.489 -0.198 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H]3COCCN3)C2=O)cc1 599943142 ITFZFIJQLKIZOI-ZBFHGGJFSA-N 385.424 -0.726 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1 728534628 QNSQAPSHDOQDNJ-UHFFFAOYSA-N 382.420 -0.434 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CSCC(=O)Nc2cc(C)on2)CC1 728534843 WFLUFTHMAVJVIN-UHFFFAOYSA-N 393.469 -0.452 30 20 GBED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)Cc1cccc(C#N)c1 728769551 FRRFRSSUHGLICX-OAHLLOKOSA-N 392.437 -0.369 30 20 GBED Cn1c(C=NNS(=O)(=O)CCc2ccccc2)nc2c1c(O)nc(=O)n2C 743448776 DZXMZRSFLHFXRY-UHFFFAOYSA-N 390.425 -0.131 30 20 GBED N#Cc1ccc(CNC(=O)COC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1 748421363 FDZFOCIVRHPTMJ-UHFFFAOYSA-N 377.382 -0.738 30 20 GBED CC(C)[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(N)=O 767638746 WTEMDWRVPNIXSA-ZWNOBZJWSA-N 396.425 -0.012 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc([N+](=O)[O-])c1 771897561 PMDVDSYRGXCACM-UHFFFAOYSA-N 381.370 -0.305 30 20 GBED COC(=O)[C@@H](O)CNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 778947918 USOQMBBDPGZLSU-STQMWFEESA-N 397.453 -0.210 30 20 GBED CNS(=O)(=O)CCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 784707908 WOKONKJJNHVRNP-SNVBAGLBSA-N 388.471 -0.831 30 20 GBED COCCN1C[C@@H](C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)CC1=O 816127773 HTQWMPMJQGUVDU-NSHDSACASA-N 396.381 -0.234 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)CC1 823850009 GVGNGPDUAPQDSN-UHFFFAOYSA-N 379.421 -0.409 30 20 GBED C=C[C@H](O)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 831659240 WJLGXIKHORRIBZ-ZDUSSCGKSA-N 392.455 -0.546 30 20 GBED N#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cnsn2)CC1 848959991 XRVBQDJDVOSQPM-UHFFFAOYSA-N 394.504 -0.859 30 20 GBED C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)N=c1ccnc2n(C)[nH]cc1-2 848965777 XAUCUBKOKMFPNC-LLVKDONJSA-N 385.471 -0.585 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](C)C1 940453210 NSCGAEFMUBQTPW-TUVASFSCSA-N 392.456 -0.175 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnccn2)C1 990807190 QDFFPDVCFXNYPP-OJLVUWQFSA-N 383.412 -0.159 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1n1ccnn1 990962258 BIZAUSSODFZRLN-UXOAXIEHSA-N 386.416 -0.820 30 20 GBED C[C@@H]1CC[C@H](C(=O)N2CCN(c3cncc(C#N)n3)[C@H]3CS(=O)(=O)C[C@H]32)O1 1054788465 ZYRPUGVNKQILLO-FAAHXZRKSA-N 391.453 -0.270 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(c2nc(C)cc(O)n2)C1 1194789589 MVESKUWHXFFUDY-ZDUSSCGKSA-N 384.462 -0.234 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CCC[C@@]34CCOC4=O)CC2)c1 1261352852 HCVVRXLTQDJSEZ-IBGZPJMESA-N 383.408 -0.090 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(C(=O)N2CCCC2)CC1 1322087339 ILZIDDIBEHGNCH-UHFFFAOYSA-N 399.455 -0.159 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CC[C@H](N2CCCC2)C1 1322694479 NTHRBTPWVKINTM-ZGTROFRASA-N 375.429 -0.674 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1)[C@@H]1CCCO1 1325472958 DGIOTMIOAOXBLR-ZFWWWQNUSA-N 389.412 -0.475 30 20 GBED COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)NCc2ccc(OCC#N)cc2)C1 1326082938 CPYIFDWHEJWQKK-KBPBESRZSA-N 375.381 -0.412 30 20 GBED CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)C(=O)N2CC[C@](O)(CC#N)C2)cn1 1326543759 BDAXJKDLAKQFJU-AZRPKEGLSA-N 393.469 -0.588 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCc2ccccc2CN2CC[C@H](O)C2)C1 1326897265 DOQFSZFEGBXHCY-FXAWDEMLSA-N 386.452 -0.254 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ccnnc1)[C@@H]1CCCO1 1327764339 CDXSXZKNNVPCGD-KBPBESRZSA-N 388.471 -0.291 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1=O 1328296556 WWKDPUOIDXNTSL-JKSUJKDBSA-N 378.473 -0.399 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1328647477 JVNVGBLSKUNZFU-NWANDNLSSA-N 377.422 -0.161 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCNC(=O)[C@H]1c1c(C)nc2ccccn12 1329100361 UELFLSQDSUYQFI-MRXNPFEDSA-N 383.408 -0.592 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)nn1 1329211849 FNAIZXBCUZJTMY-NSHDSACASA-N 388.350 -0.250 30 20 GBED COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1329454381 QERDMNZOGBNXTP-OAHLLOKOSA-N 391.472 -0.719 30 20 GBED C=CCn1c(CN2CCC[C@H](O)C2)nnc1N(C)CC(=O)N1CCOCC1 1340329953 LNEFDPQOTGWSDF-HNNXBMFYSA-N 378.477 -0.284 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 1342046231 BCVBOGWPEOZCHF-CYBMUJFWSA-N 399.455 -0.270 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1CCCCS1(=O)=O 1356279206 VOUJWGOEVUWQRQ-ZDUSSCGKSA-N 378.458 -0.189 30 20 GBED CN(C)C(=O)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C(C)(C)C1 1546212065 MWKYSYRMKHJGBN-UHFFFAOYSA-N 376.417 -0.185 30 20 GBED N#Cc1ccc(C(=O)NCC2[C@H]3CN(c4ccc(-c5nn[nH]n5)nn4)C[C@H]23)[nH]1 1581867870 ZPHDXQSEUKPLBL-VXGBXAGGSA-N 376.384 -0.031 30 20 GBED N#Cc1cn(CCNC(=O)CCc2ccc(-c3nn[nH]n3)cc2)c(=O)nc1O 1581877235 YHDAEFGIMYEXRU-UHFFFAOYSA-N 380.368 -0.250 30 20 GBED C=CCn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2cnc(-c4nn[nH]n4)cn2)C3)nn1 1588713162 HDDZHHLOGDOEGL-BHYNMZESSA-N 379.388 -0.559 30 20 GBED C=CCn1cc(C(=O)N[C@H](C)[C@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 1588713926 ZCJHYGNDGWVJJU-VHSXEESVSA-N 384.404 -0.091 30 20 GBED CO[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1591469179 WTDVELGFWFRDSW-ZIAGYGMSSA-N 395.383 -0.336 30 20 GBED C#CCOCCC(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[nH]n3)n2)C1 1602728544 ZYOGQGOHOVHAAW-QGZVFWFLSA-N 386.416 -0.538 30 20 GBED C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 1602882599 PCFWLICFFFPGLC-SNVBAGLBSA-N 382.388 -0.383 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)O)C2)C1 1603130063 QHHRHDLYUWNDGD-WDBLDGLGSA-N 393.487 -0.277 30 20 GBED Cc1c(-c2nn[nH]n2)c(=O)n(CC(=O)Nc2ccc(CC#N)cc2)c(=O)n1C 1605462980 MLFYKUBMHIWDKK-UHFFFAOYSA-N 380.368 -0.260 30 20 GBED CC(C)(CC#N)CNC(=O)C(=O)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 1609082950 NLLOTUGQXSQICY-UHFFFAOYSA-N 397.443 -0.034 30 20 GBED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1731019326 UXIRIHDDAGKOFY-UHFFFAOYSA-N 389.441 -0.698 30 20 GBED C=CCNC(=O)NC(=O)CN1CCO[C@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1753654057 NHTMRRYEKAQOOH-TUVASFSCSA-N 380.445 -0.617 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778846518 LCAJJZGBLHKXFU-ACJLOTCBSA-N 392.460 -0.260 30 20 GBED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1779073960 KXFJITDVYQBRKY-RHSMWYFYSA-N 381.385 -0.775 30 20 GBED Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCO3)C2)no1 1779125035 XEWPWJWZCAVTOW-KRWDZBQOSA-N 375.385 -0.544 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)CN(C)C(=O)C(=O)O)C3)C2)C1 1782745780 UUBOWRKPWCEHFI-SFHVURJKSA-N 379.413 -0.675 30 20 GBED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1786366318 QZHAURIUHIXXAR-JNLQPACOSA-N 393.469 -0.318 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 1792584594 WETFTYAWOLGLCB-WVCIDPQESA-N 394.472 -0.097 30 20 GBED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2 1793388863 GJULWTARJCNMAE-NEBZKDRISA-N 392.543 -0.035 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1noc(C)n1 1794056585 YIOVMFKHQIWWIX-DPYKFYPSSA-N 376.413 -0.452 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccnn2n1 1798422514 RJEHKGVKDOXONQ-DPIQGUFMSA-N 383.364 -0.980 30 20 GBED NC(=O)[C@@H](N)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C/N=C/c1ccco1 1798520136 FPIAALQZTZYOFC-FQBURUSCSA-N 389.456 -0.071 30 20 GBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O 1800395545 KVSBMBXCWKPCLO-WJTVCTBASA-N 376.500 -0.529 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3ccnn13)C2 1800779447 DZKYLQQNXJRPDN-IVWMJMPLSA-N 382.376 -0.375 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1803650430 LCXHLWMAAQDLQA-XEZPLFJOSA-N 386.364 -0.716 30 20 GBED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CN)CC2 1814978497 QKNOWKNVEWCDAS-MNOVXSKESA-N 393.517 -0.377 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1831391174 JJVAFUBIRKKINU-DNVCBOLYSA-N 390.440 -0.472 30 20 GBED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834768575 DODKUCIWANIKMY-LJQANCHMSA-N 389.456 -0.050 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCOC)CCO2)C1 1835239440 FEJDKSUPBKGDNF-APWZRJJASA-N 398.456 -0.856 30 20 GBED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836139341 KVSWDXBYIUXNBQ-MRXNPFEDSA-N 399.398 -0.054 30 20 GBED Cc1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042888 UOPLATPURRNAID-LJQANCHMSA-N 387.392 -0.452 30 20 GBED CCNC(=O)CN1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 49651142 AAJWYKFAMSJMMR-UHFFFAOYSA-N 392.481 -0.247 30 20 GBED C#CCNC(=O)c1ccccc1NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 66288060 BWEXTIVAUNMITB-UHFFFAOYSA-N 394.391 -0.565 30 20 GBED CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 267519554 JBCHEZKZFIRUEC-CQSZACIVSA-N 381.396 -0.126 30 20 GBED C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 271962804 GOLSPLMATSKUMX-UHFFFAOYSA-N 384.462 -0.953 30 20 GBED CN(CC(=O)NCCn1cnc(C#N)n1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 286266410 OBNPNIQSMVMGDT-UHFFFAOYSA-N 393.385 -0.505 30 20 GBED CCS(=O)(=O)CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 287656642 BIGPVZQUPILOTF-UHFFFAOYSA-N 394.497 -0.001 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)CC1 298936744 GIIVEILOYAERIO-UHFFFAOYSA-N 399.386 -0.334 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)NCC1(C)C 349508840 ZXUJJJDLDTWBHK-NSHDSACASA-N 380.492 -0.910 30 20 GBED CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]1C(N)=O 349530982 FZKJTXZFTXNITQ-FZMZJTMJSA-N 392.503 -0.732 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCCS(=O)(=O)N1CCOC1 349602722 QRINPZOMQYECMQ-LBPRGKRZSA-N 383.517 -0.343 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(C(=O)c2ccccn2)C1 367141306 RDSAFUQGERZJHJ-AWEZNQCLSA-N 381.458 -0.007 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@](O)(Cn3ccnn3)C2)n1 502216558 QZIQKKGFNQDTIC-KRWDZBQOSA-N 386.416 -0.081 30 20 GBED N#CCCCS(=O)(=O)c1ccc(C(=O)NCCN2CCNC(=O)C2)cc1 510941149 KCBBOHZPRPWXJY-UHFFFAOYSA-N 378.454 -0.074 30 20 GBED N#CCNC(=O)CNC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 511900100 DDBKSGGXYJYXLD-UHFFFAOYSA-N 385.471 -0.160 30 20 GBED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@](C)(O)CN1CCOCC1 546708899 KUNRSPOZRJQAFU-SFHVURJKSA-N 376.413 -0.295 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@@H](C(=O)O)[C@@H](O)Cc1ccccc1 565055114 PLTIAYIREPNPIV-LSDHHAIUSA-N 385.442 -0.260 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 572670425 LOJFUVQWOODANL-UHFFFAOYSA-N 389.441 -0.464 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 588125865 PMZNHTUSFJWLHE-UHFFFAOYSA-N 381.440 -0.294 30 20 GBED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CC(N)=O 608912080 NMRYYJZVCJWFKY-UHFFFAOYSA-N 376.463 -0.516 30 20 GBED N#Cc1ccc(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)nc1 609817049 KWAWESZCOHIZIU-UHFFFAOYSA-N 379.442 -0.276 30 20 GBED C[C@@H]1CN(CCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 725721082 MHRJKNPVXXWYJG-CYBMUJFWSA-N 380.470 -0.048 30 20 GBED COc1ccccc1C=c1sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c1=O 729673374 MAWOOWVYMWGOJI-UHFFFAOYSA-N 389.458 -0.010 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CCOC 753789666 UWNHPKYDJXYWOP-UHFFFAOYSA-N 387.465 -0.422 30 20 GBED Cn1ccnc1[C@](O)(CCNS(=O)(=O)N1CCO[C@@H](C#N)C1)C(F)(F)F 800056295 LHOLZQKWKUMMSH-CMPLNLGQSA-N 397.379 -0.381 30 20 GBED C=CCN(CC=C)C(=O)[C@H](C)OC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 803861189 PHRSKOPIJSIGNN-NSHDSACASA-N 383.426 -0.013 30 20 GBED C#C[C@@H](NC(=O)C(=O)N(CCO)CCNC(=O)OC(C)(C)C)[C@H]1CCCO1 809312313 MICWBNLJLWIAIJ-ZIAGYGMSSA-N 383.445 -0.371 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cc1 846398434 HACJVZBWQQSLRB-CYBMUJFWSA-N 385.467 -0.638 30 20 GBED CC(C)(CCC(=O)N[C@H]1CCCN(O)C1=O)C(=O)N[C@H]1CCCN(O)C1=O 848135432 DGYOKJBAVFSGBF-RYUDHWBXSA-N 384.433 -0.214 30 20 GBED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCC2(C1)OCCO2 848959435 IVXZZOYXAIKMIK-CYBMUJFWSA-N 395.503 -0.377 30 20 GBED C/N=C(/NCCOc1ccc(NS(C)(=O)=O)cc1)NCCN1CCOCC1 849075945 ZSQBTOKRAFVBQF-UHFFFAOYSA-N 399.517 -0.066 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1113126378 IVBXPKMOCCRJOD-RDGWLKQMSA-N 376.457 -0.046 30 20 GBED N#Cc1ccc(NC(=O)CCN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 1319643897 NZKYMQCHYJNFCV-SJORKVTESA-N 392.481 -0.338 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)NCc2ccc(OCC#N)cc2)O1 1322524284 PIMBIZUHEUHEEN-CVEARBPZSA-N 388.424 -0.043 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 1323222324 ATCAXCCHJURLJC-INIZCTEOSA-N 383.452 -0.236 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCn3cnnc3C2)cc1 1330027590 PQBTYGLILKDJLV-UHFFFAOYSA-N 382.427 -0.716 30 20 GBED C=CCn1c([C@H]2CC=NO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1340413905 AESUKTKNMJVPRC-OAHLLOKOSA-N 389.460 -0.108 30 20 GBED CN(C)C(=O)O[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1351849938 WFRBXOFMDABCAK-CABCVRRESA-N 377.445 -0.126 30 20 GBED N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC(=O)NCC2CC2)CCO1 1555995388 PGWNWFVFOINMLO-CQSZACIVSA-N 387.444 -0.345 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@H](CN=c3cc[nH]c(-c4nn[nH]n4)n3)C2)c1 1571152937 LRNYGTTXZNOIJW-LLVKDONJSA-N 380.372 -0.769 30 20 GBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nc1 1573288568 RTCQDEUNCMYRMB-CABCVRRESA-N 392.379 -0.814 30 20 GBED C=CCOCCCC(=O)N1CCO[C@@H](CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1573347315 BTEPCLMSYKEECC-ZDUSSCGKSA-N 388.432 -0.299 30 20 GBED C#Cc1ccc(C(=O)NC[C@H](CO)NC(=O)c2cncc(-c3cnn[nH]3)c2)cn1 1575021045 AUXAKUBKSKRGKU-MRXNPFEDSA-N 391.391 -0.236 30 20 GBED C[C@H](C#N)C(=O)N(Cc1cnn[nH]1)C1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 1575179332 UJGDKWVRQSZWOT-BXUZGUMPSA-N 388.432 -0.692 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cn1 1588365156 SMCRRKKZOVKZJW-HUUCEWRRSA-N 392.379 -0.814 30 20 GBED C[C@@H](NCC(=O)NCC#N)[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1589959130 UFXQCSZLZGLQSR-NEPJUHHUSA-N 385.432 -0.335 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@@]3(CC(C(=O)O)=NO3)C2)c1 1608218640 UGKKYRLLXITRBO-MRXNPFEDSA-N 392.393 -0.331 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782658571 LHMCGYAUOWIQLE-SFHVURJKSA-N 392.481 -0.008 30 20 GBED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1)N1CCN(C)CC1 1786370353 QCKNMGIQICRQOU-QAETUUGQSA-N 377.489 -0.484 30 20 GBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 1789094477 RBBRQCAXYUSDQP-IHRRRGAJSA-N 385.424 -0.418 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)C3)[C@H]2C1 1790856332 IHEYLBJTKSGIQD-YXMSTPNBSA-N 379.457 -0.307 30 20 GBED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1791268549 GWNVAAGLJUKOHN-JONQDZQNSA-N 378.473 -0.638 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)CC)C2 1793353754 FSUKHYHXUZIATL-HGTKMLMNSA-N 388.486 -0.398 30 20 GBED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)N1CCOCC1)C2 1793568522 JPOULQYUDMAQTJ-FDQIELQPSA-N 379.457 -0.687 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnc1 1794864759 FZHLPUYUHMEPIY-KQORHLAWSA-N 387.440 -0.669 30 20 GBED CN(C)C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1795464424 UBKZMVGLUDECKB-XKHVOEOCSA-N 396.444 -0.807 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2 1797708058 AWVIVDGQNVVMTF-HLPPOEQASA-N 377.445 -0.559 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ncccc3n1)C2 1800778355 ONEBESNURICLMV-DPIQGUFMSA-N 383.364 -0.980 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1812872077 BDWLZQZGYAEZMA-WWGRRREGSA-N 386.364 -0.716 30 20 GBED N#CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822024621 GXKQMCXNTIRSCR-AWEZNQCLSA-N 378.433 -0.398 30 20 GBED Cc1onc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1C 1831984194 DTQNAHIZPDFALO-SFHVURJKSA-N 391.380 -0.551 30 20 GBED Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cccc1=O 1833869077 ATGLCIFKUXRSQG-OAQYLSRUSA-N 399.447 -0.131 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835972009 HAKDCXXUCMIIPE-INIZCTEOSA-N 381.820 -0.093 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840571120 YIFIURNANPRWQK-JXFKEZNVSA-N 395.500 -0.423 30 20 GBED Cn1ncnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813172 IZZCGHCRKWUIGV-SFHVURJKSA-N 388.428 -0.421 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CC(=O)C3)CCO2)C1 1840831101 UHFZJBXDVIHPLY-IFXJQAMLSA-N 378.425 -0.540 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C2)C1 1840842110 NLGASHYWCYLMST-KXBFYZLASA-N 379.457 -0.277 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)CC[C@@H](N)C(N)=O)C2 1845188033 WVZOZMYOQLIAOS-CYBMUJFWSA-N 380.445 -0.708 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](COC(C)=O)OC(C)=O 1847804484 GIHCYXSTSJRXLI-STECZYCISA-N 394.424 -0.279 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1 264117209 DXEVRYHZAVFUIG-UHFFFAOYSA-N 381.440 -0.376 30 20 GBED N#C[C@H]1CSCCN1C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 271773265 XXVIJQJFHYDOHG-ZDUSSCGKSA-N 394.478 -0.112 30 20 GBED CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 287135253 YVZBTEBLYAWURK-IBGZPJMESA-N 398.511 -0.436 30 20 GBED Cn1cc(CN2CCN(/C(O)=N/C[C@H]3CCN(S(C)(=O)=O)C3)CC2)cn1 328729231 HHJSBGSJLVRQLM-CQSZACIVSA-N 384.506 -0.267 30 20 GBED C=CC/N=C(/O)NC(=O)[C@H](C)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 330746059 FONHOBVCVKGXJR-UONOGXRCSA-N 388.490 -0.283 30 20 GBED C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)CCCS(=O)(=O)NCC#N)C1 349491476 HWOPIJOZQSKSIZ-CQSZACIVSA-N 392.547 -0.045 30 20 GBED CC(C)(C)n1[nH]cnc1=NS(=O)(=O)CCCS(=O)(=O)N1CC(C#N)C1 349506868 UMJQGHONRIDUIC-UHFFFAOYSA-N 390.491 -0.628 30 20 GBED Cn1cc(NS(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CCC2)nn1 349540699 KJJANGVOSNCLPS-UHFFFAOYSA-N 376.464 -0.440 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1=O 366855660 XPAHLWNVFBPJHF-FZKQIMNGSA-N 392.456 -0.153 30 20 GBED C[C@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1)c1ccc(C#N)cc1 424514975 HMADJWKRZQXZMP-GXFFZTMASA-N 379.394 -0.554 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cn(CC(=O)OC)nn2)c1 441987042 QCRKETINICPNAK-UHFFFAOYSA-N 393.425 -0.155 30 20 GBED N#Cc1cnn(-c2ccc(C(=O)Nc3cnn(CC(=O)NCCO)c3)cc2)c1N 476179102 ZTNMVTXLRTXTLF-UHFFFAOYSA-N 394.395 -0.117 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)CSCC(=O)N1CCOCC1 499333464 PEPCXDWJUGLGCR-UHFFFAOYSA-N 384.502 -0.347 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 519768367 HUKLEVORTQKIPZ-ODXJTPSBSA-N 391.515 -0.371 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)C1=O 535829588 SFGFVDUMOUWAFA-LBPRGKRZSA-N 399.363 -0.648 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 559536009 XLVONLVYFSTNBE-KUDNYVPYSA-N 382.424 0.062 30 20 GBED CC(C)(C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCNC(=O)C1 564228157 VYRDVHWSGQCUSZ-UHFFFAOYSA-N 386.455 -0.612 30 20 GBED Cc1nc([C@H](C)NS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)n[nH]1 570060795 RYZVKALIPVQEEP-VIFPVBQESA-N 384.443 -0.046 30 20 GBED N#Cc1cccc(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)n1 577868316 JSURZGIQOAQCDY-UHFFFAOYSA-N 384.440 -0.048 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C 595128954 KLAVONBQYGQLLJ-RYUDHWBXSA-N 382.442 -0.019 30 20 GBED N#CCCN1CCN(C(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 602239585 NYFDZTHIODKHNB-GOSISDBHSA-N 395.529 -0.632 30 20 GBED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 610704731 KRPQGIZXLVZULB-XJKSGUPXSA-N 399.455 -0.488 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2c(C)oc(C)c2S(N)(=O)=O)CC1 728531860 UDXWEWFPCOSQFB-UHFFFAOYSA-N 382.442 -0.949 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(NS(C)(=O)=O)c2)CC1 729256622 CTTLQMIROCMTDC-UHFFFAOYSA-N 392.481 -0.045 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 738296190 KTKDQKJOIIRKPV-SQFISAMPSA-N 389.397 -0.329 30 20 GBED Cn1cc([C@@H](O)CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 743649282 SAOBZNGNKSGQDJ-ZDUSSCGKSA-N 377.426 -0.302 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2CS(=O)(=O)NC)c1 749509893 JENOPJCFVLIZCH-AWEZNQCLSA-N 399.494 -0.248 30 20 GBED C#C[C@@H](C)NC(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CCC)c1N 775375588 RSYVGFIAJPJWOG-GFCCVEGCSA-N 393.444 -0.161 30 20 GBED C#CCC[C@@H](O)CNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 798423026 SDMAXCJCIUIIIB-CQSZACIVSA-N 383.474 -0.353 30 20 GBED C=C(C)Cn1c([C@H]2CNC(=O)C2)nnc1N1CCN(S(=O)(=O)CC)CC1 818296364 SUOCOIJJMPFAQR-CYBMUJFWSA-N 382.490 -0.071 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)NCc1cccnc1N1CCN(C)CC1 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N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCCN1CCOCC1 1109843301 GAJIBYWNBBNQOI-IKGGRYGDSA-N 377.489 -0.150 30 20 GBED CN(CCNS(C)(=O)=O)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1116474924 NXPZXYHDVTVAGC-AWEZNQCLSA-N 399.542 -0.062 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NCCN1Cc2ccccc2C1 1117123123 QCCRQLSSTZHHGL-ZCXUNETKSA-N 397.435 -0.239 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 1117338712 TZJAMRDIYWTSAC-BZSNNMDCSA-N 394.516 -0.394 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)C1 1219649820 NKDNBTUOQXMIOA-DFGXFYAUSA-N 380.489 -0.029 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(C(=O)c2ccccc2)CC1 1261181168 QYMIXRVKINXLEY-UHFFFAOYSA-N 393.465 -0.312 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 1324838990 WXJJYBYRLODILN-KKUMJFAQSA-N 388.486 -0.254 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[C@]2(CCO[C@@H]2C)O1 1331997929 RDUBRUWETCNRCB-UMHPPVOVSA-N 376.457 -0.020 30 20 GBED 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C#CCOCCC(=O)NC1CC2(C1)CC(N[C@@H](C)C(=O)NCc1cnn[nH]1)C2 1575013870 VAAGJFXNRQVDJV-UCBUFWRCSA-N 388.472 -0.134 30 20 GBED N#C[C@]12CN(C(=O)COc3cccc(-c4nn[nH]n4)c3)C[C@H]1CS(=O)(=O)C2 1581860162 MXENIZVJNCNIKA-BLLLJJGKSA-N 388.409 -0.358 30 20 GBED C#CCNC(=O)[C@H](C)NC[C@@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588353423 ROMYSPWRXRHNOO-JSGCOSHPSA-N 384.444 -0.083 30 20 GBED C#CCOCCC(=O)NC[C@@H]1COCCN1c1nc(C)cc(-c2nn[nH]n2)n1 1588362203 YAWCMIAXFZOWMQ-CYBMUJFWSA-N 386.416 -0.674 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nc2)C[C@H]1O 1588443709 XGJJPOPUGAZUGU-XZDPQHSOSA-N 385.428 -0.091 30 20 GBED N#CC[C@H]1CCCN(C(=O)C(=O)NCCNc2ncccc2-c2nn[nH]n2)C1 1592673857 QTMRNXHXQWGRCX-GFCCVEGCSA-N 383.416 -0.058 30 20 GBED N#Cc1ncn(CCNC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)n1 1606398668 QCHSMQMLYBTVDZ-UHFFFAOYSA-N 393.415 -0.138 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(C(C)(C)C(=O)O)CC2)C1=O 1609373817 RFTKSYZSBRKPHW-CYBMUJFWSA-N 380.445 -0.761 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CC(Oc3ccc(-c4nn[nH]n4)cc3)C2)CCO1 1609495290 ZZANZIUNVBAIHB-CYBMUJFWSA-N 391.413 -0.601 30 20 GBED C=CCN1CC[C@H](N2CC(CCO)(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)C1=O 1755333536 CFDMPZROWKNBOE-DZTUFKMZSA-N 375.469 -0.250 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1784505150 YTQRDGXYSVZBNU-NQCBRMCBSA-N 381.473 -0.720 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)cn3)C[C@@H]21 1791076203 ZJBKOLNWBNWUAZ-RCBQFDQVSA-N 389.383 -0.169 30 20 GBED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)NC(=O)OCC)C[C@@H]21 1791268084 MIYNZMBAUCQDKD-JKQORVJESA-N 395.456 -0.166 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cncn3)[C@H]2C1 1791611739 IWZLMZLBFMSNQU-NRKLIOEPSA-N 389.456 -0.143 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCOC)C2 1792484782 QHGLYJDBMZOURT-GZHYHUHOSA-N 379.457 -0.139 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O 1793760425 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C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)C1=O 269131265 HJJWRWOWLGLADB-HUUCEWRRSA-N 392.456 -0.153 30 20 GBED C=CCNC(=O)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 271966834 IBTYWGHFHNCHMN-UHFFFAOYSA-N 397.453 -0.252 30 20 GBED CCOC(=O)c1nc(C2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)n[nH]1 278019466 OXXZSHZXOKOKKN-UHFFFAOYSA-N 387.400 -0.366 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CC[S@@](=O)C[C@H]1c1cnn(C)c1 282247454 IUTZCKMYODILGT-LFPIHBKWSA-N 389.503 -0.368 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 283067771 ULLXLJNQBXUBHD-GFCCVEGCSA-N 391.475 -0.399 30 20 GBED Cn1cnc(S(=O)(=O)NCC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 292524575 YYYKBCHCTYBZCD-ZDUSSCGKSA-N 390.425 -0.355 30 20 GBED CCOC1CC(C/N=C(/O)N2CCS(=O)(=O)CC2)(N2CCOCC2)C1 329768498 GTVOPBFDMHJWFD-UHFFFAOYSA-N 375.491 -0.099 30 20 GBED CCC(=O)N1CC[C@H](N/C(O)=N/CCS(=O)(=O)N2CCSCC2)C1 329999934 VPOKKSLWWJNYBN-LBPRGKRZSA-N 378.520 -0.121 30 20 GBED C[C@@H]1c2nncn2CCN1S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 349445480 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GBED COCCCS(=O)(=O)NCC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 471701819 RGBKICQQHMFJRW-UHFFFAOYSA-N 398.489 -0.795 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)NCC2CN(S(C)(=O)=O)C2)cc1 492646463 CEVMXMTUASDOLS-UHFFFAOYSA-N 387.483 -0.228 30 20 GBED COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 569652257 VQZZVCGTENPISV-CQSZACIVSA-N 395.485 -0.199 30 20 GBED CC(=O)N1CC(NS(=O)(=O)c2ccc(S(=O)(=O)N[C@@H](C)C#N)cc2)C1 578026200 LWCAKBFXQDUNKN-JTQLQIEISA-N 386.455 -0.614 30 20 GBED C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN(C)C 594359902 QTDQFNQVVCPZFC-LBPRGKRZSA-N 381.458 -0.981 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599259563 ZNBVSAKHFIWSBV-SNVBAGLBSA-N 392.401 -0.111 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)C1=O 608232225 IZYHOLNRHPDCFQ-CMPLNLGQSA-N 388.384 -0.993 30 20 GBED CNC(=O)CNC(=S)NN=Cc1c(Cl)nc(N)nc1N1CCOCC1 731929754 UGMJATNWBPNJCI-UHFFFAOYSA-N 386.869 -0.907 30 20 GBED 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CCOC(=O)CON=C(C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1cc[nH]n1 789997244 FAVRHLRCCLHPFC-WCQYABFASA-N 395.416 -0.555 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[C@H]1CCCO1 793585600 BTLFYJXBXXNTSL-UONOGXRCSA-N 375.429 -0.816 30 20 GBED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCS(=O)(=O)CC 800778974 JVJPBNGAOVJJFW-LLVKDONJSA-N 379.508 -0.055 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1nonc1C)[C@@H]1CCCO1 848963406 QQRNKUSVNVBHEO-NEPJUHHUSA-N 392.459 -0.390 30 20 GBED CCOC(=O)CON=C(C(=O)NCCN1C[C@H](C)OC[C@H]1C)c1cc[nH]n1 855409401 DFSSFWSWSAVLJD-OLZOCXBDSA-N 381.433 -0.081 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnc3[nH]nnc23)C[C@@H]1O 964611012 XUNYFWGRGADKTN-ZZVYKPCYSA-N 386.412 -0.364 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@H]2C1 976045361 ASVNFOWIMNMSMK-XGUBFFRZSA-N 390.440 -0.421 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1047048453 WGCFAJAGEVVOBU-WCVJEAGWSA-N 379.457 -0.286 30 20 GBED C#CCNC(=O)CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1068468680 MRNBJNDYGZIYEL-KFWWJZLASA-N 375.425 -0.867 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCc2nnn(C(C)(C)C)n2)C[C@H]1O 1077699152 UGHKWRCFGUBNMJ-TUVASFSCSA-N 378.477 -0.277 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](C)OCCOC 1111091967 DTVJQLBEYKSFQM-TUVASFSCSA-N 382.461 -0.229 30 20 GBED C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CCO[C@H](C#N)C1 1117697978 UAQLKSZVQBLLIS-UONOGXRCSA-N 394.453 -0.389 30 20 GBED C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1 1117888376 HQEJPAPPHDCVKL-KXBFYZLASA-N 393.463 -0.004 30 20 GBED CS(=O)(=O)Cc1ccccc1CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118156421 CUJOEEPMMDUTMK-KRWDZBQOSA-N 379.438 -0.276 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnc3c(cnn3C)c2)CC1 1255234366 LYRNMJAQNLAULF-UHFFFAOYSA-N 390.469 -0.586 30 20 GBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 1261486418 XNRBDQMSBLRLFU-KGLIPLIRSA-N 387.392 -0.470 30 20 GBED CC(=O)NCC[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1261868390 JMBPEURTJCBQNR-WBVHZDCISA-N 375.473 -0.050 30 20 GBED C=C(C)Cn1c([C@@H](C)CO)nnc1N1CCN(CC(=O)NCCOC)CC1 1263301107 IDYXOQYGYCKJOC-HNNXBMFYSA-N 380.493 -0.165 30 20 GBED CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cc1 1326111098 IJZQEKNPEKGGMV-QGZVFWFLSA-N 394.453 -0.522 30 20 GBED CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1330319025 PLJCYJQWUORCBV-IRXDYDNUSA-N 377.489 -0.246 30 20 GBED CC[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C[C@@H](C)S1(=O)=O 1330434985 CVCKSPPHDYEJDV-VHDGCEQUSA-N 382.486 -0.391 30 20 GBED C=C(C)Cn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCN(C)C(=O)[C@@H]1C 1343908263 VMMLGFTYXPIMCE-LBPRGKRZSA-N 387.444 -0.415 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)C(=O)NCCN3C(=O)CCC3=O)CC2)nc1 1346315131 HTOLYAPAMIXDGC-UHFFFAOYSA-N 398.423 -0.697 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(c2nnc(C[C@H](O)CC#N)n2C)CC1 1347534362 HDYJYAXUFUHEJU-CYBMUJFWSA-N 385.494 -0.659 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H](N)CCO3)C2)C1=O 1349634183 HDVQPWRLJHEKFO-QAETUUGQSA-N 392.500 -0.023 30 20 GBED C[C@@H]1OCC[C@]1(O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1512581980 NSMXUVZEQBIJNL-DEYYWGMASA-N 390.444 -0.331 30 20 GBED C#CCNC(=O)[C@@H](C)NC[C@H](C1CC1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573285445 IEXLTNMYTLBVJQ-IAQYHMDHSA-N 384.444 -0.227 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[nH]n2)c(C)n1 1573286876 JNRXXYRSBWTYHM-KBPBESRZSA-N 385.428 -0.070 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[nH]n1 1573352046 TTWZMZJMAZHZDW-XQQFMLRXSA-N 386.416 -0.431 30 20 GBED C[C@H](C#N)C(=O)N(Cc1cnn[nH]1)C1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 1575179338 UJGDKWVRQSZWOT-RISCZKNCSA-N 388.432 -0.692 30 20 GBED N#Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C[C@@H]32)[nH]1 1581869206 NAAZHMYUIPFMOP-YABSGUDNSA-N 377.368 -0.105 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 1588354485 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C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1791265146 CDMSLTBRFSEUOM-HTVCTNPSSA-N 390.527 -0.138 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1793342521 IEPSDPGPYFUZNY-OHTBPHCPSA-N 390.396 -0.871 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCN(C)C1)C2 1793344473 APZOMPIAWYKJCN-MDMSPXHWSA-N 377.485 -0.044 30 20 GBED CN[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)NCCC#N)C(=O)O 1796045152 MWMWGJKZXWDXGE-LXTVHRRPSA-N 393.488 -0.031 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ncccc13)C2 1800776132 TZCHKORHQMFIHO-DPIQGUFMSA-N 383.364 -0.980 30 20 GBED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1808425772 CRSHVSWOHZJXHV-ZBFHGGJFSA-N 391.424 -0.093 30 20 GBED N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812876125 CAMWPITYFUSODF-KDOFPFPSSA-N 398.423 -0.985 30 20 GBED CN[C@@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1)C(=O)O 1822200720 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395.419 -0.030 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1 1841960151 JRMIEJLIMCRAAD-RYUDHWBXSA-N 378.429 -0.639 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844410485 MQRVCOKUJOCGNU-PLNGDYQASA-N 388.384 -0.007 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)CNC1=NS(=O)(=O)c2ccccc21 104589009 SVAPJWUBBYVGJO-UHFFFAOYSA-N 380.382 -0.720 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)Nc2cnn(CC(=O)NCCOC)c2)C1=O 281264882 FQIKWEPIYUZNRK-CQSZACIVSA-N 378.433 -0.104 30 20 GBED CN1CCO[C@H]2CN(C(O)=Nc3cnn(CC(=O)N4CCOCC4)c3)C[C@@H]21 329972400 WDGSKCKISYPKDE-GJZGRUSLSA-N 378.433 -0.698 30 20 GBED CN(C)C1CCN(CC/N=C(/O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)CC1 330221629 RGHGQXLWWZZKDD-OAHLLOKOSA-N 375.539 -0.108 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C 349472628 GNNXEFNKZPMCNY-MJBXVCDLSA-N 378.520 -0.294 30 20 GBED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 370732561 NHIUERGLELBZAH-YYHKSVKZSA-N 375.473 -0.052 30 20 GBED C=CCn1cc(CNC(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)nn1 425569183 YFCRCROYLTWKCK-UHFFFAOYSA-N 388.432 0.226 30 20 GBED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2C[C@@H](O)[C@H](O)C2)n1 434563527 CWTDUUNDGOITGW-CHWSQXEVSA-N 375.772 -0.100 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 514873926 UPQUFOLNIQXOCB-AVGNSLFASA-N 379.504 -0.369 30 20 GBED Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)c1C 518200782 VFHLVBZBZDYGTH-UHFFFAOYSA-N 396.472 -0.206 30 20 GBED COCC1(O)CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 533997622 LMBYFGGXJLYUJK-UHFFFAOYSA-N 377.445 -0.023 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CCC(=O)OC)[C@H](C)C2)C1=O 538682935 ZENYWKIGFJBKRB-GFCCVEGCSA-N 380.401 -0.941 30 20 GBED C=CCn1c(Cc2nc(C)cs2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 563123829 GQYSGQMTCGYVTF-LBPRGKRZSA-N 387.469 -0.033 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](C)C[S@@](C)=O 570741053 UDEWZOROPPKUIE-QWVJXAHUSA-N 393.512 -0.078 30 20 GBED CNC(=O)CCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)C#N)cc1 571821157 NUSPKYHAGAJDQK-LLVKDONJSA-N 388.471 -0.366 30 20 GBED C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 576886102 IAXQMQCTQVBRIM-NSHDSACASA-N 398.466 -0.470 30 20 GBED COC(=O)CCN1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)[C@H](C)C1 601476141 GTZFIVGVOFLVFV-OAHLLOKOSA-N 379.461 -0.860 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2cccs2)CC1 728535633 BTXWIAKLXMQAGR-UHFFFAOYSA-N 398.510 -0.690 30 20 GBED C#CCN(C(=O)COc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCS(=O)(=O)C1 735375288 XBILUVRANNPARG-CYBMUJFWSA-N 375.410 -0.106 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(Cn3nc4cnccn4c3=O)CC2)cc1 758295360 RQDVBUASIKZKLH-UHFFFAOYSA-N 399.436 -0.273 30 20 GBED C[C@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)S(N)(=O)=O 768595760 BYCQHDTWQNIIMP-SNVBAGLBSA-N 388.471 -0.702 30 20 GBED C#CCN(CC#CC)C(=O)Cn1nc(C(=O)N(CC#C)CC#CC)ccc1=O 778937487 SJMBWGODDQKPQE-UHFFFAOYSA-N 376.416 -0.173 30 20 GBED C#C[C@H](NC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1)[C@@H]1CCCO1 793873253 XWUBPANDCWGQPK-MPGHIAIKSA-N 381.498 -0.393 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2COCCN2CC(F)(F)F)CC1 806786634 QYDYPGJLVMEAIT-CYBMUJFWSA-N 376.379 -0.857 30 20 GBED N#Cc1cc(O)cc(C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)c1 811187055 ILRSMAHRULNFHZ-NSHDSACASA-N 381.366 -0.566 30 20 GBED C#CCN(C)CCCNc1ccc(S(=O)(=O)N(C)C)cc1S(N)(=O)=O 814930316 YPLZVBXEPLNVSJ-UHFFFAOYSA-N 388.515 -0.049 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CN2C(=O)CCc3ccccc32)CC1 831561033 OGWREMNYVVSWTQ-UHFFFAOYSA-N 390.465 -0.422 30 20 GBED CN(CCO)S(=O)(=O)CCCS(=O)(=O)Nc1cnc(Cl)cc1C#N 848962312 SRGYLTZVASMFOT-UHFFFAOYSA-N 396.878 -0.008 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c3c(nn2C)CCCC3)CC1 866809261 HBXHGZIFFCCEFR-UHFFFAOYSA-N 393.513 -0.255 30 20 GBED C=CCn1cc(C(=O)N(C)C2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)nn1 954307806 FXEXKNUKNLDTMT-DUVNUKRYSA-N 375.429 -0.202 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CCN2C(=O)CNC2=O)C[C@H]1OC 1081687575 ZHCNSXXASVUAMS-APIJFGDWSA-N 380.445 -0.665 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnn2c(=O)cc[nH]c12 1111110854 PPIYDPQXTFHCHK-GBOPCIDUSA-N 382.424 -0.504 30 20 GBED C#CCOCCNC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1 1116967903 HZJUCESTNUAGEQ-GOSISDBHSA-N 389.452 -0.049 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1194832853 UPRWYGKUOQGMRE-HKXJQTKSSA-N 376.457 -0.667 30 20 GBED CC(C)(CNC(=O)C(=O)NCc1ccc(OCC#N)cc1)NS(C)(=O)=O 1323135593 IQDIEQREFCKAHM-UHFFFAOYSA-N 382.442 -0.351 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 1324838833 VILWEPLRWZUFRO-HIFRSBDPSA-N 387.502 -0.034 30 20 GBED COC(=O)C[C@H]1CN(C(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CCO1 1325420536 UTKJGADBEWTUEY-HNNXBMFYSA-N 387.392 -0.062 30 20 GBED Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)nn1CCC#N 1337212118 KIVUFOULSZPBNS-QWHCGFSZSA-N 376.417 -0.204 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCCN(S(C)(=O)=O)CC2)CC1 1341898849 OFOYGCDTWCSPRM-UHFFFAOYSA-N 386.518 -0.363 30 20 GBED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nncn1C 1359467417 RQJVOWXYORQDOV-MNOVXSKESA-N 381.466 -0.339 30 20 GBED C=CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2cncc(-c3cnn[nH]3)c2)[C@H](OC)C1 1575103464 CNLTVGOAMSHRCZ-JCURWCKSSA-N 399.455 -0.014 30 20 GBED N#CCC(=O)N1CCN(S(=O)(=O)c2cc(F)cc(-c3nn[nH]n3)c2)CC1 1581857224 UHDRPBZFRWDBGC-UHFFFAOYSA-N 379.377 -0.248 30 20 GBED N#Cc1nc(NC(=O)c2cccn2CCN2CCOCC2)[nH]c1-c1nn[nH]n1 1581860870 XFJARNYBYGKYMT-UHFFFAOYSA-N 382.388 -0.153 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@H]3[C@H](NC(=O)c4ccc(-c5nn[nH]n5)[nH]4)[C@H]3C2)c1 1581861887 CYQSPVNKPFOADB-MSRIBSCDSA-N 377.368 -0.105 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2nccnc2-c2nn[nH]n2)C1 1588351535 YFBBORZORQDKSA-KGLIPLIRSA-N 381.444 -0.209 30 20 GBED C#Cc1ccc(C(=O)N(C)C[C@H](O)CNc2cnc(-c3nn[nH]n3)cn2)cn1 1588364594 GZHXTFNNPCEKHM-CYBMUJFWSA-N 379.384 -0.422 30 20 GBED C=CCCO[C@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588609245 VUEGYEUHGPYAKI-HONMWMINSA-N 389.416 -0.523 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)NC[C@H](C)Nc1cncc(-c2nn[nH]n2)n1 1588658444 KFXCCQPFWIZVHC-JTQLQIEISA-N 388.436 -0.163 30 20 GBED C=CCNC(=O)CNCC1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1588660035 VLLAFDPPPIVBIQ-UHFFFAOYSA-N 388.432 -0.946 30 20 GBED C=CCOCC(=O)N1CCC[C@@](CO)(Nc2nc(C)cc(-c3nn[nH]n3)n2)C1 1588671844 OECDFIBZBIVORL-QGZVFWFLSA-N 388.432 -0.067 30 20 GBED C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CC[C@@]2(CCOC2)C1 1588708571 IRCJRSRJRXNAFH-MRXNPFEDSA-N 383.420 -0.099 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CN=c1cc(C)[nH]cc1-c1nn[nH]n1 1602794332 KEJXBEWVCYUXAY-SJCJKPOMSA-N 375.433 -0.450 30 20 GBED CCNC(=O)CN1CCN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)CC1 1604353306 YKWGEGRHNOQMBE-INIZCTEOSA-N 396.455 -0.171 30 20 GBED CCc1nc(-c2nn[nH]n2)cc(N2CC[C@@H](NC(=O)C#CC(C)C)[C@H](O)C2)n1 1604544942 XRYJATISDCPSAF-TZMCWYRMSA-N 384.444 -0.066 30 20 GBED CC(=O)N(CC(=O)O)C[C@H]1CN(S(=O)(=O)c2sccc2C#N)CCO1 1776201188 PZOZISCDGCRZHW-LBPRGKRZSA-N 387.439 -0.058 30 20 GBED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1781854589 MZTXCQJOZXZQRP-KSSFIOAISA-N 396.444 -0.037 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3cncn3)C2)C1 1784470789 OYIOIQKUAOSCHT-DAYGRLMNSA-N 375.429 -0.293 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)nn3)C[C@@H]21 1791076608 BCCBXZNDICBZPI-GVXVVHGQSA-N 392.799 -0.189 30 20 GBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc([N+](=O)[O-])cn1 1794006370 NGCNRSBDPRUEKE-FVCICTRLSA-N 375.385 -0.206 30 20 GBED CN(C)C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1795464422 UBKZMVGLUDECKB-LAHJCIIPSA-N 396.444 -0.807 30 20 GBED CN[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)NCCC#N)C2)C(=O)O 1796089329 VKKMTMVHUPUMSG-XGUBFFRZSA-N 393.488 -0.031 30 20 GBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2c(O)nnc12 1796289570 RUFSXOHUIVJBPA-KQXIARHKSA-N 391.453 -0.044 30 20 GBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cscn1)C2 1800985189 AZCAXFKEMMCLRW-ZCURGHERSA-N 384.527 -0.079 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1813040088 RGZFADFPQSKKBS-ZIEJDFEHSA-N 393.513 -0.002 30 20 GBED C[C@@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1)n1cnnn1 1822863250 LUAHSFVTBPUJNM-CMPLNLGQSA-N 386.372 -0.263 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccn3)C2)C1 1831391124 HKMFXDDITZZXKA-KXBFYZLASA-N 388.424 -0.415 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1831493390 RRCZATWKMAKNGL-YOEHRIQHSA-N 398.485 -0.727 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)CC1 1835340568 AJDAYAFZKMDJEN-LJQANCHMSA-N 386.408 -0.306 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836347853 RLODBFUSWLRSBE-GUYCJALGSA-N 379.417 -0.534 30 20 GBED CCNC(=S)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1839653307 PZXBRPLIFMYYIG-QGZVFWFLSA-N 397.501 -0.769 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@@H]3CCOC3)C2)C1 1840043936 DFXJQCRLBDPQBB-BEFAXECRSA-N 394.424 -0.653 30 20 GBED C=C(C)CNC(=S)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 145436612 RRDOPDPFXQNOGQ-GFCCVEGCSA-N 381.545 -0.429 30 20 GBED C[C@H]1CN(C(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC(=O)N1 297841124 NTTIQSMNELPILT-HNNXBMFYSA-N 383.452 -0.061 30 20 GBED N#Cc1cccnc1NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](CO)C1 349502102 DKYNRMMKWBTPCZ-GFCCVEGCSA-N 388.471 -0.271 30 20 GBED CN(C)CCCN(CCC#N)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 369014290 XIAUBUOJSBQGFT-KRWDZBQOSA-N 379.505 -0.139 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 409566985 HDRRZPBDKFISBS-CQSZACIVSA-N 385.490 -0.521 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)CCO1 410127289 LDUKRCUNQFMCEP-IRXDYDNUSA-N 380.470 -0.318 30 20 GBED CC(C)N1C(=O)C[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1=O 434384232 MEXTWFRSFAYSQI-CQSZACIVSA-N 392.437 -0.169 30 20 GBED COc1ccc(S(=O)(=O)N2CC(O)(CC#N)C2)cc1[C@]1(C)NC(=O)NC1=O 440096783 ZRXWSITZVVZIQP-HNNXBMFYSA-N 394.409 -0.601 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCCS1(=O)=O 484105479 FYIPDJUZRSXOTI-SMDDNHRTSA-N 385.467 -0.082 30 20 GBED C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NCCOC)CC1 508948725 FBFSKMOXERFWSX-OAHLLOKOSA-N 378.477 -0.147 30 20 GBED Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NCC(=O)NCC#N 511909518 IZRDEUGUDPGEFU-UHFFFAOYSA-N 387.849 -0.134 30 20 GBED C[C@](O)(CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)CN1CCOCC1 564258910 AATXJZVUONBLKZ-KRWDZBQOSA-N 396.469 -0.964 30 20 GBED N#CC1(NS(=O)(=O)c2ccc(S(=O)(=O)NCCn3cncn3)cc2)CC1 566486139 BWPWYQMTXILADR-UHFFFAOYSA-N 396.454 -0.409 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)cc1 574091481 HCNSTFWPFWBMMS-AWEZNQCLSA-N 394.453 -0.309 30 20 GBED CC(=O)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)CC1 577887680 ZOIMCGPWRCIKNL-UHFFFAOYSA-N 386.455 -0.659 30 20 GBED COc1ccc(S(=O)(=O)NCC(=O)N2CC[C@](O)(CC#N)C2)cc1OC 592840410 UZMFGDIBHIXMOR-MRXNPFEDSA-N 383.426 -0.141 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)C1=O 593743329 ANIPTFWBLHWMCA-ZNMIVQPWSA-N 377.441 -0.111 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 658918846 KJLCGQDRIBEYGD-CYBMUJFWSA-N 377.397 -0.474 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCCCN2C(=O)NC(C)(C)C2=O)C1=O 726043076 PHUXZXMPMIBMPJ-UHFFFAOYSA-N 380.357 -0.773 30 20 GBED N#C[C@@H](C(=O)CCNC(=O)c1ccc(F)cc1)C(=O)N1CCS(=O)(=O)CC1 732907957 GLUYAUOBRJKUPL-AWEZNQCLSA-N 395.412 -0.089 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnc3onc(C)c3c2)CC1 735923659 VNUFJXJTFZKBFG-UHFFFAOYSA-N 391.453 -0.023 30 20 GBED CCN(CCC#N)C(=O)COC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745446037 YSLMRVUHZCWCBT-FWZIUSJTSA-N 377.397 -0.157 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(N)=O)C2CCOCC2)cc1 752455315 GNPVQYGWJNMHLT-INIZCTEOSA-N 393.465 -0.002 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)CC1 761031716 URUBXBHRYGVKOI-ZDUSSCGKSA-N 394.453 -0.173 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@H](C(=O)OC)Oc2ccccc21 783350263 HWKZOMUBWMADCJ-CQSZACIVSA-N 396.421 -0.329 30 20 GBED CC(C)(C#N)CC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 791331255 RUPAYDITFCSKKZ-LBPRGKRZSA-N 377.488 -0.413 30 20 GBED C=CCN1CC[C@H](OC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1=O 798587086 WQRRCJQTFCSMPK-NSHDSACASA-N 375.385 -0.846 30 20 GBED CN(C)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)cn1 813984547 WPPWWBSIUIZMTO-UHFFFAOYSA-N 395.422 -0.283 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)CC1 831568650 NAPWXOJURFFHGU-NSHDSACASA-N 396.391 -0.849 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NOCCN1CCCC1=O 856040838 ICSQMYNEKKZPEZ-GFCCVEGCSA-N 380.426 -0.105 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1c(C)noc1C 895519351 YKWOLNRHQHCBIQ-SNVBAGLBSA-N 388.402 -0.487 30 20 GBED N#Cc1cccc(OCC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 916119344 MXTNIBGHEUQZHY-UHFFFAOYSA-N 386.408 -0.533 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)C[C@@H]1O 964611039 YVANHSKVBOAWGW-WCVJEAGWSA-N 390.440 -0.779 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@H]3C2)c1 975645418 INTIFDCELSDVJT-QCEMKRCNSA-N 385.424 -0.018 30 20 GBED CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 982910423 UGIQEKCYOGMSDE-QKPAOTATSA-N 377.441 -0.588 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1C(=O)CNC1=O 1000564082 SEDIDFIDLONEHV-DGTMBMJNSA-N 376.413 -0.623 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1O 1023919690 XBQSEFBPNZDLMF-LWGWVAHUSA-N 393.440 -0.805 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(OC)ncnc2OC)C1 1024433097 XEEKMBPBSPLVFL-LPWJVIDDSA-N 392.412 -0.614 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(CCN3C(=O)CNC3=O)C[C@@H]21 1083085207 FTQKVICGXZDHLE-FXUDXRNXSA-N 392.456 -0.569 30 20 GBED CN1C(=O)CC[C@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1=O 1118182288 RGOZEENSQDMGCG-CVEARBPZSA-N 397.435 -0.513 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3CC[C@](O)(CC#N)C3)CC2)c1C#N 1118190637 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LGSFOQXLRSWCCW-HZPDHXFCSA-N 388.424 -0.447 30 20 GBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1325729234 UXMAGTCRQYHPMT-DOTOQJQBSA-N 383.452 -0.088 30 20 GBED CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)NCCc2ccc(C#N)cc2)C1 1327986604 IFCCIYNYSHJYCI-OAHLLOKOSA-N 378.454 -0.243 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2nc3ccccc3n2C)CC1 1333628655 KQMCMGQFLHFAHX-UHFFFAOYSA-N 390.469 -0.132 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3nnc(C(F)F)n3c2)CC1 1336049125 JAWUCQSUQBRAEO-UHFFFAOYSA-N 398.395 -0.108 30 20 GBED C=CCn1c(C2=NNC(=O)C2)nnc1N1CCN(C(COC)COC)CC1 1340561368 ODYVHPWITZHANQ-UHFFFAOYSA-N 377.449 -0.529 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(OCC(=O)NC)cc1 1342175332 PQBVDNNUDFEBCW-UHFFFAOYSA-N 383.426 -0.533 30 20 GBED N#Cc1nc(N2CCCN(CC(=O)N3CCCC3)CC2)cnc1-c1nn[nH]n1 1571210595 TYQKGLFNCIBQIZ-UHFFFAOYSA-N 382.432 -0.337 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O 1573285233 FRKFMIQTALJCIS-SQNIBIBYSA-N 395.467 -0.374 30 20 GBED C#CCNC(=O)CN1C[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 1573286208 WHPARLJUFCLIFZ-SWLSCSKDSA-N 382.428 -0.519 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc(COCC)n1CCNC(=O)c1cc[nH]n1 1574966390 AZZPXHBRHBYBRV-UHFFFAOYSA-N 398.431 -0.274 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@@]2(C)C1 1588354904 CFQHQGDQVUARPV-VFVRVIDISA-N 382.428 -0.020 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCO[C@H](CNc2ccc(-c3nn[nH]n3)nn2)C1 1588356602 YHJBVGPNVUTHDS-QWHCGFSZSA-N 386.416 -0.276 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC(=O)N1CCNCC1 1588641264 ACBPEQONXFGVBL-UHFFFAOYSA-N 384.444 -0.004 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588723033 GCTKSGLAINWWAQ-MFKMUULPSA-N 387.400 -0.911 30 20 GBED N#CCSCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O 1592679672 ZCSBUYSHBTYDLR-BXKDBHETSA-N 390.429 -0.857 30 20 GBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN(c4ncccc4-c4nn[nH]n4)C[C@@H]32)nn1 1602882834 WDRJCZGHFCVXFS-IMRBUKKESA-N 378.400 -0.096 30 20 GBED COC(=O)[C@@H]1C[C@@H](C(=O)O)CCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 1606369748 GQFKYXWVRCZMDX-VGOAHNGKSA-N 379.369 -0.232 30 20 GBED Cc1ccn(C[C@](C)(O)C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c(=O)c1 1643403551 MCDJKOZNTUEYTG-SFHVURJKSA-N 386.412 -0.022 30 20 GBED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CC(C)(C)CC#N 1660318167 ZFIJPIRALMQLJN-GFCCVEGCSA-N 379.504 -0.119 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnn4n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c1cccnc1CS(C)(=O)=O 1794405395 MZOMHJRTMSPVBW-FVCICTRLSA-N 391.449 -0.537 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831740795 MOSIJMNLRKEALR-BZNIZROVSA-N 382.442 -0.430 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1834757926 BTRVPVABYXAUJN-YOEHRIQHSA-N 393.469 -0.617 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1834766944 GVVLTWDMZNBMFC-FXAWDEMLSA-N 387.436 -0.040 30 20 GBED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)CNC(N)=O)CC3)CC2)CC1 1837793347 UMEQPYYCKIIOTC-UHFFFAOYSA-N 377.445 -0.043 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838535751 BQEUEUKYQZIVPF-UGSOOPFHSA-N 395.481 -0.226 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)c1 1838737539 YARNSYUJVYGXKA-ZRGWGRIASA-N 388.424 -0.273 30 20 GBED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2)C(F)(F)F 1839166054 DTNASGHMSMZGTQ-DOMZBBRYSA-N 393.362 -0.304 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(N)=O)CCO3)C2)CCC1 1839866413 ZVQQAKQIIPCHKS-SFHVURJKSA-N 378.429 -0.598 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040175 QVRAWHOWVGMGRL-KBXCAEBGSA-N 380.397 -0.878 30 20 GBED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1840292195 BZOXNSMKJVBDEN-SFHVURJKSA-N 390.444 -0.677 30 20 GBED N#CCCN(CCN1CCOCC1)CC(=O)c1c(O)nc(=O)n(C2CC2)c1N 266855908 HDPYNPQHEYUXBR-UHFFFAOYSA-N 390.444 -0.403 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(OCCCN(C)C)CC2)C1=O 267273604 QJKGJRFGJPCMKH-UHFFFAOYSA-N 380.445 -0.078 30 20 GBED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN(CCO)CCO)CC1 269407111 DQSKELDSPMWSKO-UHFFFAOYSA-N 389.412 -0.259 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(S(=O)(=O)NC)c2)C1=O 299509598 JGBYNTCCKRETDY-UHFFFAOYSA-N 394.409 -0.812 30 20 GBED CC(=O)N1CC(/C(O)=N/CCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 329979557 JUOGZHCNLVJDCV-UHFFFAOYSA-N 395.485 -0.032 30 20 GBED Cc1nc(=NS(=O)(=O)CCCS(=O)(=O)N(C)C[C@H](C)C#N)n(C)[nH]1 349514863 FXEYIOVUVLLMTG-SNVBAGLBSA-N 378.480 -0.902 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCCN(C)CC1 349594182 VLHBOXFHYGSUQP-AWEZNQCLSA-N 380.536 -0.092 30 20 GBED Cn1cc(S(=O)(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)c(=O)n(C)c1=O 363919984 AXSWWKWRQVWQPP-XJKSGUPXSA-N 382.442 -0.300 30 20 GBED C=CCNC(=O)c1ccc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)nc1 364889691 CZWSLIQYANDXRC-UHFFFAOYSA-N 385.428 -0.536 30 20 GBED CCOC(=O)Cn1cnc(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)n1 425758977 STVLFZOBJITDNQ-UHFFFAOYSA-N 398.379 -0.059 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC1(C(N)=O)CCCC1 460603385 FKRADCAQLTUWHW-UHFFFAOYSA-N 395.423 0.548 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N(CCO)CCN2CCOCC2)cc1 478015510 NGJLJQKCZIJEMV-UHFFFAOYSA-N 397.497 -0.082 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1coc(S(N)(=O)=O)c1 490401879 TXQHKNLODQSKBA-SNVBAGLBSA-N 376.398 -0.060 30 20 GBED C=CCN1CC[C@H](N2CCN([C@@H]3CCN(CC=C)C3=O)[C@H](CCO)C2)C1=O 568289836 QWUIXRGVFYHXCO-FGTMMUONSA-N 376.501 -0.071 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)CC[S@@](=O)C1 579613694 ZQNQUMYDHDUWPW-AMXDTQDGSA-N 399.560 -0.372 30 20 GBED CN(CCC#N)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C 591333263 UMPJKPGRFVZXBE-NSHDSACASA-N 381.476 -0.483 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccccc2OCC(=O)N(C)C)CC1 728535020 VIMDLUVBNFECAV-UHFFFAOYSA-N 386.452 -0.339 30 20 GBED C#CCNC(=O)CN1CCN(CCC(=O)NC(=O)NCC(F)(F)F)CC1 751470684 GIGQVMLETSWDJX-UHFFFAOYSA-N 377.367 -0.868 30 20 GBED C[S@@](=O)CCN1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 810432055 XHXFMSBPNJAMQO-RUZDIDTESA-N 398.510 -0.641 30 20 GBED Cn1nccc1[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O 843337467 CHKFPMAXLJMMDU-CQSZACIVSA-N 391.409 -0.209 30 20 GBED COC(=O)CNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N 913174135 WWEOFAZWZNVLHZ-SNVBAGLBSA-N 383.382 -0.943 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 957761707 RWRICNZRPVLYQB-SYQHCUMBSA-N 378.429 -0.518 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(OC)nc2)C[C@@H]1O 964476085 HHGOICKAMWWVQA-XGUBFFRZSA-N 376.413 -0.232 30 20 GBED C=CCn1cc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@@H]3C2)nn1 975184473 AEQIVKFGCZYUDA-REBRKWNGSA-N 388.428 -0.830 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cn2ncn(C)c2=O)C1 1007719151 YBLUXDWCEYCQFE-YGTYGHESSA-N 389.456 -0.330 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnnn2C)C[C@@H]1n1ccnn1 1069929920 UEZYBKACKRKDGT-NCOADZHNSA-N 386.460 -0.071 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCc2cc(=O)n(C)c(=O)n2C)[C@H](C)C1 1082752706 YFDSALXYWIJDJW-MIGQKNRLSA-N 376.457 -0.388 30 20 GBED COCCS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 1093057324 KRDGLYNWSHSIAI-UPJWGTAASA-N 379.442 -0.365 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1nc2ncccn2n1 1111405843 HEOLGWJQBPTUHW-TUVASFSCSA-N 381.440 -0.474 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1 1119113444 QEJZJANQWNUUTQ-UHFFFAOYSA-N 382.417 -0.833 30 20 GBED N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1CC(=O)N(CCN2CCOCC2)C1 1262567337 POEBRCZUYHPEIH-MSOLQXFVSA-N 388.468 -0.179 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CCc2c(C)nc(O)nc2O)CC1 1318444420 VLJGOKILDCCLJG-UHFFFAOYSA-N 375.429 -0.587 30 20 GBED C#CCSCCNC(=O)C(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 1319351072 YEHCURKKIJSSRA-GFCCVEGCSA-N 384.483 -0.028 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)nn1CCC#N 1320037614 UIXDTPOLRPKVOB-UHFFFAOYSA-N 375.433 -0.548 30 20 GBED CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2)C1 1322410128 RIAVZPFZRVWNDI-HNNXBMFYSA-N 378.454 -0.038 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CCNS(C)(=O)=O)c1 1322849054 GYMYFQJLHDUILI-UHFFFAOYSA-N 375.472 -0.228 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC([C@@H](O)c3nccn3C)CC2)C1=O 1324184343 FJXWINWSQYCFMO-CQSZACIVSA-N 389.412 -0.331 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCC(NS(=O)(=O)CCC)CC1)[C@H]1CCCO1 1343081110 SHYGVUQDQDPXTK-HUUCEWRRSA-N 385.486 -0.396 30 20 GBED N#CCN1CCN(C(=O)c2cccc(C(=O)N3CCN(CC#N)CC3)c2N)CC1 1347529903 VKPJQERWHWJAOI-UHFFFAOYSA-N 395.467 -0.168 30 20 GBED C#CCN1CCN(c2nnc(CC[C@]3(C)NC(=O)NC3=O)n2CC2CC2)CC1 1349088442 INCYBDJHOMFIDH-IBGZPJMESA-N 385.472 -0.026 30 20 GBED C#CCN1CCC(c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2CCOC)CC1 1514661056 AGMGZSCEGSMRKV-MRXNPFEDSA-N 390.488 -0.312 30 20 GBED C#CCNC(=O)[C@@H](C)N(C)[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573285185 DXAOZYHNAKJREQ-OCCSQVGLSA-N 384.444 -0.131 30 20 GBED C#CCNC(=O)CN(C)C[C@@H]1CCCN(C(=O)CCOCc2cnn[nH]2)C1 1575005003 RTDIEXDJOSIAQR-HNNXBMFYSA-N 376.461 -0.369 30 20 GBED CC(C)C#CC(=O)NC1(CCO)CN(C(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575318548 LJWRBMIBWOZFDJ-INIZCTEOSA-N 388.472 -0.492 30 20 GBED CC(C)C#CC(=O)NC1(CO)CCN(C(=O)[C@H](C)OCc2cnn[nH]2)CC1 1575318862 RVHKNXUDZSSSHI-AWEZNQCLSA-N 377.445 -0.161 30 20 GBED N#Cc1nccnc1N1C[C@@H]2C(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H]2C1 1581884925 HCXRBRNADUMVPK-VXGBXAGGSA-N 376.384 -0.031 30 20 GBED C#CCNC(=O)[C@@H](C)N1CC=C(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1588353569 XCFMPCQZKXXIEW-GFCCVEGCSA-N 382.428 -0.305 30 20 GBED C=CCN1CC[C@H](NCCN(CCO)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1=O 1588656900 BGVPDSVQRORXNT-ZDUSSCGKSA-N 388.432 -0.994 30 20 GBED C=CCn1cc(C(=O)N(C)CCN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)nn1 1588711354 PKXKXYYFAQZZJN-UHFFFAOYSA-N 384.404 -0.184 30 20 GBED N#Cc1cn(CC(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c(=O)nc1O 1595966448 WODSBVUDXGPSCE-UHFFFAOYSA-N 397.391 -0.139 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H](C)CC[C@@H]3O[C@H](C(=O)O)C[C@H]32)C1=O 1609373495 COBKQBJYGKGDEQ-WYUUTHIRSA-N 379.369 -0.415 30 20 GBED C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)N(C)C 1741856341 NGVUHFPFAMLNJW-MGPQQGTHSA-N 382.490 -0.141 30 20 GBED N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2cc[nH]n2)CCO1 1770748036 LRRYGKLEHRBBAL-CHWSQXEVSA-N 386.416 -0.336 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)CCN4CCOC4=O)C3)C2)CC1 1778157551 REWHOFBDMFPGMR-GOSISDBHSA-N 376.413 -0.038 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1781389052 NFOOQMZKBVKYST-KSSFIOAISA-N 397.476 -0.112 30 20 GBED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(CCO)CCO)C1 1781841423 WPCDOYRDNUPUSG-VQIMIIECSA-N 383.489 -0.637 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783261724 WCEJODAPIVLGMZ-VQIMIIECSA-N 383.489 -0.685 30 20 GBED COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1792972818 UGMNBAJUBOLXOV-MNLSVMLLSA-N 392.408 -0.747 30 20 GBED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2 1793383108 MKWVXEPGKHPCQO-FSDCSDTHSA-N 385.530 -0.137 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2 1797704178 KVFOPZZLKWPQMO-JBXGNFEISA-N 393.484 -0.325 30 20 GBED COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1797968196 BMBSMJVKUDZVJL-FZKCQIBNSA-N 392.456 -0.579 30 20 GBED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 1798632588 KEGVXJBVZGAJRO-JLUCKKNBSA-N 380.470 -0.073 30 20 GBED N#CCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1806287274 KGJUONZUHOCCCX-KUHUBIRLSA-N 381.392 -0.074 30 20 GBED N#CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@@H](N)C(N)=O)CC2 1814492907 KLORINWDTTWOGJ-VHSXEESVSA-N 378.458 -0.048 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncnc3)CCO2)C1 1834300156 AKVXCOHFPIVXCJ-DNVCBOLYSA-N 388.424 -0.415 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2 1836477101 WTDGLMBWZCAAFI-YJBOKZPZSA-N 381.498 -0.110 30 20 GBED CC(C)[C@@H](S)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843233816 FZZMPJNEWLYOCF-GFCCVEGCSA-N 391.457 -0.416 30 20 GBED C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2cc(C#N)ccn2)CC1 47858638 QVHXOMPKRANPEL-HIFRSBDPSA-N 377.470 -0.233 30 20 GBED C#CCN1CCN(C(=O)CSc2nnc(-c3n[nH]c4c3CCC4)n2N)CC1 125184413 KHKNSZQXSCXPAG-UHFFFAOYSA-N 386.485 -0.260 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1C[C@@H](C)O[C@@H](C(=O)OC)C1)c1cc[nH]n1 282451667 IXAWKGQQAUDWHS-YTOIWWBISA-N 382.373 -0.518 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@](C(=O)OC)(C(F)(F)F)C2)C1=O 286156836 BVNQHMLMJFSABD-CQSZACIVSA-N 391.302 -0.083 30 20 GBED CN(CCN1CCOCC1)C(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 298131343 QFIUJZYTIWODTF-UHFFFAOYSA-N 385.468 -0.003 30 20 GBED CN1CCOC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 328943027 IRAAMPDQQDXURV-OAHLLOKOSA-N 378.454 -0.278 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[S@@](=O)[C@H](C)[C@H]1C 349463078 BHGCASHEWQLWMV-HSUPDGIYSA-N 385.533 -0.621 30 20 GBED COc1ccc(NC(=O)Cn2cnc(C#N)n2)c(N2CCN(C(C)=O)CC2)n1 426424145 FVWCEVNJORUCJY-UHFFFAOYSA-N 384.400 -0.139 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC1 459920663 WDBKUJAEDWXISE-CQSZACIVSA-N 391.453 -0.904 30 20 GBED CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)CC#N)cc2)CC1=O 517245929 GAQMUYQSVCMDTO-UHFFFAOYSA-N 386.455 -0.707 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)n1 540306154 GHVURKIWSNKPLK-GFCCVEGCSA-N 382.446 -0.186 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(OCCOC)nc2)C1=O 563903346 WQWZKHJIHMEZRQ-OAHLLOKOSA-N 390.440 -0.032 30 20 GBED C=CCn1cc(CNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)nn1 574632877 OBHZBBYCXOVATF-UHFFFAOYSA-N 377.449 -0.850 30 20 GBED COC(=O)Cn1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 584869484 JVLRGFSBHBGDON-UHFFFAOYSA-N 377.382 -0.155 30 20 GBED COC(=O)CCNC(=O)CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 600839742 MVKJAXJRRXHKPD-UHFFFAOYSA-N 396.425 -0.978 30 20 GBED COc1ccnc(N2CCN(C(=O)C(=O)N3CCN(CCC#N)CC3)CC2)c1 601450136 KADHRDXLHZWGSU-UHFFFAOYSA-N 386.456 -0.203 30 20 GBED CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2cccc(CC#N)c2)CC1 619478507 RHWCSBIJXAAWCO-UHFFFAOYSA-N 386.499 -0.392 30 20 GBED N#CCNC(=O)COC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 731245194 DWPHLWCQJNENBB-KKTNHOPESA-N 384.392 -0.027 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(F)ccc2C(=O)O)CC1 736075875 IHDFEZYPEQWBEZ-UHFFFAOYSA-N 383.401 -0.420 30 20 GBED N#C[C@@H]1CN(CN2CC(=O)N(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)CCO1 737677190 AHZBJCMCVZPBPY-CQSZACIVSA-N 382.384 -0.187 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 758051925 ZMVBMPAPVMGVFQ-UHFFFAOYSA-N 381.413 -0.421 30 20 GBED Cn1cc(S(=O)(=O)NN=C2CCCc3cc(C#N)ccc32)c(=O)n(C)c1=O 771890581 HBOKJHBXDXYNFG-UHFFFAOYSA-N 387.421 -0.025 30 20 GBED C#C[C@@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1CCCO1 775342924 XGZUTVAAIRZPTI-CVEARBPZSA-N 393.465 -0.036 30 20 GBED N#CCc1cccc(C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)c1 778105264 HAIZVTCXUOFCMH-ZDUSSCGKSA-N 379.394 -0.078 30 20 GBED C[C@@H]1OC(=O)N[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 788632625 KXCQQESAJLFYOC-SMDDNHRTSA-N 378.410 -0.112 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 819751561 WKQZHZFDRDPZFL-UHFFFAOYSA-N 398.427 -0.748 30 20 GBED C#CCN1CCC[C@@H](NC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1 888065778 MFGDJFAPGSHFRU-QGZVFWFLSA-N 399.499 -0.088 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](C)C1 959682139 RXAGHLPPJLGGCD-SYQHCUMBSA-N 378.429 -0.565 30 20 GBED C=CCn1cc(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nn1 964194831 MTUIPVGHRQJTLG-KQTLUZQSSA-N 375.429 -0.011 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1(NC(N)=O)CCCCC1 1109798907 YBHKTRQIBOFUDR-ILXRZTDVSA-N 375.473 -0.172 30 20 GBED C=C(C)Cn1c(C2CCN(CCO)CC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1122503811 LDJJEJJFQSENFA-MRXNPFEDSA-N 392.504 -0.023 30 20 GBED COC(=O)CN(CC#N)C(=O)CCc1c(C)nc(N2CCOCC2)nc1O 1252009435 HPRNWZOMJZIZMO-UHFFFAOYSA-N 377.401 -0.215 30 20 GBED CN(c1ccc(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1)S(C)(=O)=O 1322854389 JTPMRJHRSHRSIC-CQSZACIVSA-N 380.426 -0.550 30 20 GBED CCCN(C)C[C@@H]1CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1326598295 XPJYFVVCQSYYMR-VUAZUDAXSA-N 391.472 -0.181 30 20 GBED Cc1nccc(N2CCN(C(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)n1 1329813617 BUPBLZLVTBUXBE-INIZCTEOSA-N 383.456 -0.368 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CCO1 1344767841 ZJHJGFHBECYARC-GJZGRUSLSA-N 398.485 -0.410 30 20 GBED C#CCN(C(=O)CCCc1cnn[nH]1)C1CCN(C(=O)Cc2nc[nH]n2)CC1 1574895436 UVLXMXFZTWFLOX-UHFFFAOYSA-N 384.444 -0.059 30 20 GBED C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CC(=O)NCc3cnn[nH]3)C[C@H]2O)C1 1575059181 JLQZXMQPHRZYLC-UONOGXRCSA-N 390.444 -0.755 30 20 GBED COCCN(CCNC(=O)c1ccc(C#N)[nH]1)c1cnc(-c2nn[nH]n2)cn1 1579809633 ISLAAVBEVLIKIE-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED N#Cc1nccc(N2CCO[C@@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 1581885082 MYIWLELGPGTBDM-JTQLQIEISA-N 380.372 -0.508 30 20 GBED C#CCNC(=O)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588353970 CJMHNFMRJRMYQH-GJZGRUSLSA-N 382.428 -0.377 30 20 GBED C=CCNC(=O)NC(=O)CN[C@H](CC)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588658570 QBXFQZVTGNDBKS-SNVBAGLBSA-N 389.420 -0.695 30 20 GBED C=CCn1cc(C(=O)N[C@@H](C)CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 1588713410 LETFQVGWSXQSPU-JTQLQIEISA-N 384.404 -0.089 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 1588930746 JTRRPKFYXHISEE-LBPRGKRZSA-N 391.461 -0.280 30 20 GBED C=C[C@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 1602793647 DYSSFEPXOOYQGP-INIZCTEOSA-N 392.441 -0.363 30 20 GBED CCN(CCC#N)S(=O)(=O)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 1604290306 TXNDPAUIUNBQPQ-UHFFFAOYSA-N 391.461 -0.136 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)c1 1780337708 HOYUQMNPQDIBDE-IBGZPJMESA-N 397.391 -0.745 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782751913 CPMMZSZNZIJNOB-SFHVURJKSA-N 379.413 -0.837 30 20 GBED CNC(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1784408640 MVPKPJSTXVGJNN-KKUMJFAQSA-N 393.488 -0.616 30 20 GBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCNC3=O)CCO2 1785425861 ASDREEIWRKDEOA-HXUWFJFHSA-N 399.451 -0.127 30 20 GBED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnc(O)nc4O)C[C@@H]32)CC1 1786694801 PSURFQIMSMIPCX-DRZSPHRISA-N 387.396 -0.215 30 20 GBED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCCS4(=O)=O)C[C@@H]32)CC1 1786698051 LLXDDXCPSHGZNU-ZQDZILKHSA-N 395.481 -0.153 30 20 GBED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21)n1cnnn1 1791689681 KPVUPODXUSYYJM-QPSCCSFWSA-N 387.444 -0.092 30 20 GBED Cn1ncc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)cccc21 1800778392 RSPHLLMGJMDJPF-DBWKPXFBSA-N 396.403 -0.136 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)C1 1806003906 FBMLWJJOFBCXTN-ULQDDVLXSA-N 377.485 -0.021 30 20 GBED Cn1cnc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n1 1812876121 BZZZNBCLCJVHFO-CJNGLKHVSA-N 382.380 -0.382 30 20 GBED Cc1nc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)no1 1831209662 RXHVHXCTVXLLDA-LJQANCHMSA-N 388.424 -0.210 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1831390980 BVXMDIWTUYNMHS-KXBFYZLASA-N 375.425 -0.215 30 20 GBED COCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1834972627 YNCDYOXWKZVBCZ-FQEVSTJZSA-N 394.468 -0.212 30 20 GBED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835258241 MVHUSEWBGIUJNK-RHSMWYFYSA-N 388.486 -0.300 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncon3)C2)C1 1839226644 CMYYANZEJWQXRU-GUYCJALGSA-N 395.416 -0.060 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1839840231 AXGOTMZNGRQSCI-YZVOILCLSA-N 396.488 -0.752 30 20 GBED Cc1nocc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041426 LWDBEJDVKNEJBL-QGZVFWFLSA-N 377.353 -0.859 30 20 GBED COC[C@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1844385352 PZJWKYQORHAJBM-YODDIOPGSA-N 393.488 -0.187 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1 264969554 GOXOIZDLQKLMQO-LNMJFAINSA-N 398.463 -0.923 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 266435189 JSIWOPKJGOJPRK-QGZVFWFLSA-N 399.451 -0.663 30 20 GBED N/C(=N\C[C@@H](O)CS(=O)(=O)c1cccs1)NCCCN1CCOCC1 269675463 CRZGKBCZHLGKNJ-CYBMUJFWSA-N 390.531 -0.491 30 20 GBED Cn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(CN3CCOCC3)cc2)c1=O 298104908 WWSBICKWOSMYOO-UHFFFAOYSA-N 383.408 -0.110 30 20 GBED Cc1cc(N2CC[C@H](/N=C(/O)N3CC[C@@]4(C3)N=C(O)N(C)C4=O)C2=O)n(C)n1 329261520 DCQOYNKSPIAXTE-GTNSWQLSSA-N 389.416 -0.422 30 20 GBED CCc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)no1 349461548 QWHYHJOBFNFSDF-UHFFFAOYSA-N 393.447 -0.946 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(O)C2)ccc1C#N 349470589 YMGQJZUWEADGDT-UHFFFAOYSA-N 388.471 -0.210 30 20 GBED Cc1nc(=NS(=O)(=O)CCCS(=O)(=O)N(C)C[C@@H](C)C#N)n(C)[nH]1 349514862 FXEYIOVUVLLMTG-JTQLQIEISA-N 378.480 -0.902 30 20 GBED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NC[C@H](O)CN2CCOCC2)c1 365123558 HJPAWSGGEOKYKD-ROUUACIJSA-N 386.452 -0.141 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)C1=O 369278957 UZLAKXKJGNVNQG-CYBMUJFWSA-N 377.445 -0.752 30 20 GBED CCN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1=O 371828168 FEVWZZYXSYDGTP-UHFFFAOYSA-N 384.371 0.512 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 374112236 GTANOMGMPZKPQU-KCPJHIHWSA-N 376.438 -0.038 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@H](CO)C[C@@H](OCCOC)C1 430416794 JXNZALLXAGGAJA-VQHPVUNQSA-N 384.473 -0.044 30 20 GBED C=C(C)COCCNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 475474130 ZTNQLJXENUVCEI-UHFFFAOYSA-N 379.417 -0.611 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 543273048 RHXNMDYJFMLTFX-DOMZBBRYSA-N 390.396 -0.329 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 565239849 NAQXGNWDAQYHJY-HIFRSBDPSA-N 378.454 -0.465 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C(N)=O)C2)cc1 582735753 NIWHADCUWGNHGZ-MNOVXSKESA-N 386.455 -0.579 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)CCO1 599501730 JGOMYKMURJRIQM-GFCCVEGCSA-N 382.398 -0.545 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)OC)c1 604021021 IVCRPIATUUGMMW-CQSZACIVSA-N 395.437 -0.345 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC1 728573877 YXUYPMSTFOBARE-UHFFFAOYSA-N 385.468 -0.306 30 20 GBED CN(C(=O)COC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C(C)(C)C#N 745587614 WLIXGFOIWSXYTQ-UHFFFAOYSA-N 381.410 -0.137 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCC2(CC1)CNC(=O)C2)c1cc[nH]n1 772337306 HSFLCJBLBKDJCE-UHFFFAOYSA-N 377.401 -0.178 30 20 GBED CNS(=O)(=O)CCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 777119469 OLPIZZOHNSSGPH-LLVKDONJSA-N 389.455 -0.292 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NCC)cc21 785155979 CTTWRADRVRZDAD-UHFFFAOYSA-N 379.438 -0.360 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCN(C)C)CC(=O)O 818051909 BWNXMVODUXFFRP-LBPRGKRZSA-N 382.442 -0.300 30 20 GBED C=CCNC(=O)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O 823919582 KWQWTNTXOJZWQT-CQSZACIVSA-N 398.427 -0.037 30 20 GBED C[C@@H](CC(=O)N1CC(N2CC[C@@H](O)C2)C1)/N=C1/NS(=O)(=O)c2ccccc21 846515340 LXXPODPXORZJAX-GXTWGEPZSA-N 392.481 -0.219 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@]2(C)CCOC2=O)cc1 848637148 JWTOLJCLUGBYHS-CQSZACIVSA-N 387.439 -0.185 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 857311642 XYQFUWBXFXMQOF-LBPRGKRZSA-N 395.437 -0.535 30 20 GBED CS(C)(=O)=NS(=O)(=O)N1CCN(S(=O)(=O)CCCCC#N)CC1 859178526 CIDUELZVIQKTMU-UHFFFAOYSA-N 386.521 -0.400 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](C)C1 949499718 AHRVJLFRUCOXLQ-NGFQHRJXSA-N 377.441 -0.017 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 970293277 LZWYJVULLYKHNK-YVVXQTMVSA-N 375.425 -0.034 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1OCC 983227883 OQDCHXNFQYSWMH-LVQVYYBASA-N 392.460 -0.366 30 20 GBED C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@H]2CC(=O)NC2=O)c1 1000179109 VPVFOSPOKJXZJH-OJLVUWQFSA-N 380.404 -0.023 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cn(C)nn2)C[C@@H]1n1ccnn1 1070051548 AMDANQYTNCRUAR-YVSFHVDLSA-N 386.460 -0.071 30 20 GBED CC(C)(C)N1C[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CC1=O 1109361358 TWILAVRVKMLQDM-XGUBFFRZSA-N 375.473 -0.005 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C[C@@H]1n1ccnn1 1130017420 HSMKCECAXZFOMY-FPCVCCKLSA-N 382.424 -0.234 30 20 GBED Cn1cc(S(=O)(=O)NN=C2CCC(O)(C(F)(F)F)CC2)c(=O)n(C)c1=O 1253303998 OGQOOJKMCNSSOZ-UHFFFAOYSA-N 398.363 -0.414 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC(=O)N2CCc3ccccc32)C1=O 1322442192 LZCBQCUUAUMLMR-INIZCTEOSA-N 384.436 -0.063 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC2CCN(CC(F)F)CC2)CC1 1322537008 NNYUKUVZKUYBQC-UHFFFAOYSA-N 384.427 -0.180 30 20 GBED CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@H]1OC 1323808693 RGERGJVSHBUVPB-ZMSDIMECSA-N 387.440 -0.090 30 20 GBED COCCN(CCO)C(=O)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 1326462838 AEAPGJSXCCGYDO-GFCCVEGCSA-N 383.426 -0.222 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCCn3cncn3)C2=O)cc1 1332444991 SNWSQLPUKXCRMJ-INIZCTEOSA-N 395.423 -0.032 30 20 GBED CNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1517428648 VROGZPDOPFELGF-LBPRGKRZSA-N 377.449 -0.083 30 20 GBED N#Cc1c(Br)cccc1OCC(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 1557691827 YSSMPPDEIXFGPJ-UWVGGRQHSA-N 395.213 -0.255 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nc2)C[C@H]1OC 1573286124 UNOGCZXKGBLYDW-IXDOHACOSA-N 396.455 -0.321 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)C2(Cc3cnn[nH]3)CCC2)CCO1 1575012730 GPDLNLVFWJEXEZ-GDBMZVCRSA-N 389.456 -0.101 30 20 GBED C=C(C)C(C)(C)C(=O)NC[C@H]1CN(C(=O)CC(=O)NCc2cnn[nH]2)CCO1 1575040250 ZSIKUAFWKZFIKX-AWEZNQCLSA-N 392.460 -0.243 30 20 GBED C#CCN(Cc1cc(O)n2ncc(-c3nn[nH]n3)c2n1)[C@@H]1CCS(=O)(=O)C1 1588350852 STHGKKGTAXBXEB-LLVKDONJSA-N 388.413 -0.763 30 20 GBED C#CCOCCC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588362289 YVNJPNRRTAYQDS-GFCCVEGCSA-N 387.400 -0.808 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)NC[C@H]1CNCCO1 1588638550 FNIZAJJUFBUZQD-OAHLLOKOSA-N 385.428 -0.514 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1CC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588658562 PVPXPMPRRCQETB-VIFPVBQESA-N 387.404 -0.991 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCCOCCN(C)c1ccc(-c2nn[nH]n2)nn1 1588723382 LNLNEHMSYYPDRC-OCCSQVGLSA-N 388.432 -0.183 30 20 GBED CN(CCOCCNC(=O)c1ccc(C#N)[nH]1)c1cnc(-c2nn[nH]n2)cn1 1591110734 SAZAGJZJDUICIY-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)O)C2)C1 1592222325 UVIJQYMFODTIAJ-WDBLDGLGSA-N 393.487 -0.135 30 20 GBED Cn1cc(NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)c(=O)n(C)c1=O 1592576657 WTFIXADLCFOWLF-GFCCVEGCSA-N 380.368 -0.415 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)OC)[C@@H](C(=O)O)C2)cc1 1602726272 OLRFJLNENVQUJO-UONOGXRCSA-N 394.405 -0.456 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[nH]n2)C[C@@H]1O 1602770222 UUZXMCNQQLUZIH-ATGSNQNLSA-N 385.428 -0.091 30 20 GBED C=CCO[C@H]1CCN(C(=O)C(=O)N2CCN([C@@]3(C(=O)O)CCOC3)CC2)C1 1602906896 QZKKSHGJBFMOAO-KSSFIOAISA-N 381.429 -0.822 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1 1605411242 BINRXJGBSXOUKD-SNVBAGLBSA-N 375.428 -0.028 30 20 GBED CC(C)(C)OC(=O)[C@H]1COCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1632840901 WFZFWALGSZAFQW-GFCCVEGCSA-N 378.385 -0.220 30 20 GBED CCN(CC)C(=O)CN1CCC(Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC1 1651977958 JYYFGLVGKUCYFU-UHFFFAOYSA-N 376.461 -0.300 30 20 GBED CC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)COC1 1706963181 VOPWIMREWXUEMO-STQMWFEESA-N 381.458 -0.055 30 20 GBED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1783892451 IHEPQWATTDRUDP-MGPLVRAMSA-N 380.426 -0.063 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1784849455 KGAXEHIAAAARSM-ROYATCLZSA-N 390.484 -0.009 30 20 GBED CCn1nc(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1787290160 JIWMHBUVPNPHOO-DZKIICNBSA-N 388.424 -0.107 30 20 GBED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789760571 PYYBYUPKHWVZND-QNILMXGZSA-N 385.530 -0.357 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(S(C)(=O)=O)c1 1792695763 FLLHQSUQZXKZOH-XOIINTDNSA-N 376.434 -0.074 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(C)CC1)C2 1793340739 GVRBFCAJPVJVAM-NRSFXHEJSA-N 377.485 -0.044 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 1795288608 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1841846617 BHKOONSWSZHACL-UHFFFAOYSA-N 395.419 -0.144 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@]2(CCN(C)C2)C1 349494404 CEAAOGPUCIJLFZ-HNNXBMFYSA-N 392.547 -0.091 30 20 GBED C[C@@H]1CC(=O)NCCN1S(=O)(=O)CCCCS(=O)(=O)NC1(C#N)CC1 349588792 BSCCZUBUMSQHRZ-GFCCVEGCSA-N 392.503 -0.718 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)n1 349597904 FZSWWXKIVNZRIE-UHFFFAOYSA-N 386.459 -0.401 30 20 GBED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)C[C@@H](C)O1 407963145 OVALQANOZHJREN-BETUJISGSA-N 381.458 -0.002 30 20 GBED N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)cc1F 418888660 OYHDQCSIBWSICE-HNNXBMFYSA-N 387.415 -0.264 30 20 GBED C=CCN(CCOC)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 515686646 IJRJPWZEWDEBPV-UHFFFAOYSA-N 379.504 -0.858 30 20 GBED CC[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 515870072 QSLYENWRDCBJJX-ZDUSSCGKSA-N 386.455 -0.612 30 20 GBED N#CCNC(=O)CNC(=O)Cn1cnc2ccc(Br)cc2c1=O 553766198 HTYHVPGUHSVMHP-UHFFFAOYSA-N 378.186 -0.085 30 20 GBED Cc1cc(C#N)cnc1C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 555285961 ABDBLOQPMKEJJX-UHFFFAOYSA-N 392.485 -0.488 30 20 GBED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C[C@@H](CO)O1 571646449 CUUFJEMSWDNTFJ-BZPMIXESSA-N 395.437 -0.081 30 20 GBED N#CCc1ccc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)cc1 576465044 BJKZFEPQLNMAGX-CYBMUJFWSA-N 379.394 -0.921 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCC(CCN)CC1 584642014 UALCBGSITRHYTF-AWEZNQCLSA-N 385.472 -0.027 30 20 GBED C[C@@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)Nc1ncc(C#N)s1 594637753 DTYSDLAETGFPST-VIFPVBQESA-N 377.473 0.226 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@H]2CC[C@H]1CN2CC(=O)NC(=O)NCC=C 595535277 WKGZAIRSLIWHBL-OKILXGFUSA-N 392.460 -0.841 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)CC2)c1 596705279 LDLVZVIQTUFGTI-CQSZACIVSA-N 378.458 -0.483 30 20 GBED CCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 597402329 QHNYADHCNVBOSN-HNNXBMFYSA-N 387.488 -0.151 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3CC(=O)NC(=O)C3)CC2)o1 726818446 QXHPOZSMLQKMMN-UHFFFAOYSA-N 389.368 -0.901 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(CS(C)(=O)=O)cc2)CC1 728535757 DPYUYDBJEWGEMZ-UHFFFAOYSA-N 377.466 -0.262 30 20 GBED C#CCN1CCN(C(=O)CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC1 748815687 OONFDIIDMKMHGQ-UHFFFAOYSA-N 398.463 -0.050 30 20 GBED C#C[C@H](C)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 784849825 UFIJERPFDULYNF-LBPRGKRZSA-N 395.437 -0.208 30 20 GBED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(C)cnn2C)c1=O 795197725 QEAPLBTYEJACTL-UHFFFAOYSA-N 381.461 -0.290 30 20 GBED C=CCNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 819750599 GVGKSZXZDYUUHP-SNVBAGLBSA-N 394.413 -0.621 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nn[nH]n3)s2)c(=O)n1C1CC1 821630107 MLOOLPSDBBMMHJ-UHFFFAOYSA-N 399.461 -0.265 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC[S@](C)=O 848957036 WBJSMOPLGJFBGT-XFNZEKPQSA-N 393.512 -0.124 30 20 GBED CCOC(=O)CON=C(C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1)c1cc[nH]n1 861716515 VTOAFLICYIMHGA-CHWSQXEVSA-N 379.417 -0.639 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 893824764 AZXNNNRUYHTVNT-ZNMIVQPWSA-N 382.486 -0.261 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1C 940383870 WBJILKSMDKXSID-SYQHCUMBSA-N 376.413 -0.497 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@@H]1O 964519306 QHYXIGGFMNAUKH-YXPYIKCWSA-N 390.440 -0.304 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@H]1O 1025710340 KDTZNLATOQTZCL-MIGQKNRLSA-N 375.429 -0.566 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CCN(C(=O)C(N)=O)CC2)[C@H]2COC[C@H]21 1026109883 BMXQVPCKBHBJKW-BARDWOONSA-N 377.441 -0.471 30 20 GBED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 1093056351 VPBUCOKFTWHEHZ-ZRJCITRHSA-N 378.458 -0.098 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCCC(=O)N(CC)CC)CC1 1117364786 CVOWQIKWRKGRIQ-UHFFFAOYSA-N 378.473 -0.261 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1 1117587772 ZVJXMOWEWRRZAJ-NSHDSACASA-N 385.408 -0.202 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CC[S@](=O)C[C@H]1c1cnn(CC)c1)[C@@H]1CCCO1 1261154392 KOZVPSKFVSTFHO-JRIVICBCSA-N 392.481 -0.168 30 20 GBED C=C(Br)CNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 1318038824 AOQOCSUVOBCQCE-UHFFFAOYSA-N 383.202 -0.135 30 20 GBED CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)NCc2cccc(OCC#N)c2)C1 1323020839 RWRRZAONUJLUSJ-CQSZACIVSA-N 394.453 -0.255 30 20 GBED COCC(=O)NC1CCN(C(=O)C(=O)NCc2cccc(OCC#N)c2)CC1 1323042995 ARQUDMKQCPJXGH-UHFFFAOYSA-N 388.424 -0.041 30 20 GBED CN1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 1323306581 ZJGNMMOWHDFWBM-LSDHHAIUSA-N 383.408 -0.878 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCOc1ccc2c(c1)OCO2 1323393716 ZNCDPTCAPTVJNN-UHFFFAOYSA-N 384.410 -0.373 30 20 GBED C=CCNC(=O)CS(=O)(=O)c1nnc(N2CCOCC2)n1C[C@H]1CCCO1 1324859817 YPNSLWWJXFAOHR-CYBMUJFWSA-N 399.473 -0.630 30 20 GBED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)NCc2ccc(C#N)cc2)CC1 1326154134 YTLNZDMLMUVENO-UHFFFAOYSA-N 385.424 -0.629 30 20 GBED C=CCn1c(Cc2ncccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1338885661 SPNXFEOZTVVDHZ-AWEZNQCLSA-N 381.440 -0.095 30 20 GBED Cc1cn(C)c(CC(=O)N2CCO[C@@H](C#N)C2)c1C(=O)N1CCO[C@@H](C#N)C1 1339392532 IOSUGZGQRIHIRR-GJZGRUSLSA-N 385.424 -0.008 30 20 GBED C=CCn1c([C@@H](O)COC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1340793878 ZCGHQBOYEZXZDK-HNNXBMFYSA-N 394.476 -0.875 30 20 GBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 1573343873 UQGHNRBSOWEORQ-DGCLKSJQSA-N 375.389 -0.911 30 20 GBED C#Cc1cncc(C(=O)N2CC[C@H](CN[C@@H](C)C(=O)NCc3cnn[nH]3)C2)c1 1575032785 MEBOPMSSLACJON-DZGCQCFKSA-N 381.440 -0.062 30 20 GBED C[C@@H](C(=O)NCc1cnn[nH]1)N1CCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1575228807 YXLFHDHDIZZMLI-FZMZJTMJSA-N 386.416 -0.860 30 20 GBED N#C[C@@]12CN(C(=O)NCc3cccc(-c4nn[nH]n4)c3)C[C@H]1CS(=O)(=O)C2 1581859748 STEAFPARJLXQJJ-BBRMVZONSA-N 387.425 -0.054 30 20 GBED N#C[C@]12CN(CC(=O)Nc3cccc(-c4nn[nH]n4)c3)C[C@H]1CS(=O)(=O)C2 1581859954 DXAXQMZIIABJQB-BLLLJJGKSA-N 387.425 -0.325 30 20 GBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588352959 BROBODARBLPASX-IACUBPJLSA-N 384.444 -0.037 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2O)cc1 1588370076 LNNNFTLMNOJREW-HUUCEWRRSA-N 376.380 -0.383 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CCN(CC(N)=O)CC1 1592665148 DGLBLLAOAPHYAH-AWEZNQCLSA-N 382.428 -0.385 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)O[C@H](C(=O)O)C3)CC2)o1 1600682669 VPPBUBSTPFDBKU-FZMZJTMJSA-N 377.401 -0.323 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](O)CC(=O)O)CC2)cc1 1601111064 REUHIJVKPKEWRM-AWEZNQCLSA-N 395.437 -0.089 30 20 GBED C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CC(OCC(F)F)C1 1602880544 YYZUPVIAIQAPGE-UHFFFAOYSA-N 393.362 -0.246 30 20 GBED CCCNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1745783177 PGRKPRRIBVFSDG-QWHCGFSZSA-N 375.433 -0.126 30 20 GBED NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779067722 ZCQWCVLFSMHIFQ-HXUWFJFHSA-N 391.468 -0.220 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)cc1 1780696544 YLTYHHLUVRATAQ-UZLBHIALSA-N 399.451 -0.405 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1783562302 LHZSSIOEFHPYHW-MRXNPFEDSA-N 380.788 -0.546 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21 1784483490 ZJQWJWIWYPMDLF-YXMSTPNBSA-N 377.441 -0.860 30 20 GBED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](NC)C(=O)O)[C@H]2C1 1786893799 NHPJKJDSFXDXQV-AJNGGQMLSA-N 399.513 -0.052 30 20 GBED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787497150 YHMHLJNGAMNSNA-FGPLHTHASA-N 393.469 -0.318 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1 1795441252 IUMCKIFZPJODPO-XLMAVXFVSA-N 396.488 -0.291 30 20 GBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)Nc1cccnc1 1797888474 NDDGTVYSZITOHC-FMSGJZPZSA-N 378.454 -0.072 30 20 GBED Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)S)C3)c(=O)nc1O 1801971870 FLWUIEBSCKEETM-NRWUCQMLSA-N 396.469 -0.835 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815676013 TXUCQLOHJBKNIA-QWRGUYRKSA-N 389.441 -0.220 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837296847 KVKHOTMIGCHLRJ-UXHICEINSA-N 399.403 -0.189 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1837391171 JELHMWYRLQYUME-NWHAJJJESA-N 396.484 -0.213 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838422657 LXLOVJUNBSODSY-SFHVURJKSA-N 384.396 -0.287 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)Cl)C2)C1 1840044042 IZYHFAVOWMRKDJ-CYBMUJFWSA-N 380.731 -0.638 30 20 GBED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840920652 CQVSKLMDLMBOSQ-KXBFYZLASA-N 394.472 -0.121 30 20 GBED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847443793 XKDZSIQKJSVWON-AGIUHOORSA-N 383.445 -0.032 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCN(C(C)=O)CC1 1847810555 UTAUBJVKTWYFBE-SZMVWBNQSA-N 392.500 -0.057 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC 273014119 WBCXDOVZAXAWPQ-UHFFFAOYSA-N 379.369 -0.153 30 20 GBED C[C@@H](O)CN1CCN(c2ccc(C#N)c(N3CCN(C[C@@H](C)O)CC3)n2)CC1 278192713 DSKAFGFDDBREQP-IAGOWNOFSA-N 388.516 -0.041 30 20 GBED N#Cc1ncn(CCNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)n1 285785227 ZAALOGRYFYLELY-UHFFFAOYSA-N 396.454 -0.431 30 20 GBED Cc1nsc(N2CCN(C(=O)C3=NN(CCO)C(=O)CC3)CC2)c1C#N 292074095 LNZFNGIJZMGKTQ-UHFFFAOYSA-N 376.442 -0.058 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H](O)C(C)(C)C1 349627210 WCGUFKQILYIGFS-QWHCGFSZSA-N 381.520 -0.027 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCC(O)(CN2CCOCC2)CC1 370594870 XAYBPKISGXYNLC-UHFFFAOYSA-N 390.506 -0.748 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)CCO1 409486031 QFEZYBMAASAQBV-RCCFBDPRSA-N 394.497 -0.072 30 20 GBED CN(CCC#N)S(=O)(=O)NCCCN(C)S(=O)(=O)N(C)CCC#N 434100648 WVGYLYGIQCZCOF-UHFFFAOYSA-N 380.496 -0.922 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)CCN1CCOCC1 439546535 IFUHGPXTIDOFHN-UHFFFAOYSA-N 397.439 0.177 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1=O 515289222 PYTGVSYVWCLVMA-UHFFFAOYSA-N 377.382 -0.812 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)CCNC2=O 595006623 MDTITWMNQZMAAQ-UHFFFAOYSA-N 399.451 -0.015 30 20 GBED CC(C)[C@@H](C#N)N1CCN([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 599181666 PYKJSJDVDWIDME-QWHCGFSZSA-N 376.461 -0.597 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CC1 602244342 ZDIFLRISVKKNJP-KRWDZBQOSA-N 383.452 -0.038 30 20 GBED C=CCNC(=O)CNC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 679131921 NLHAUGHIRLVYFO-UHFFFAOYSA-N 396.473 -0.413 30 20 GBED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)C[C@@H]1NC(=O)NC1=O 751565853 LUKALYQGLIMWGQ-LBPRGKRZSA-N 382.336 -0.176 30 20 GBED C=CCN(CC(=O)O)C(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 762052206 JIVZHMKTMFBDQV-UHFFFAOYSA-N 385.442 -0.022 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1=O 790400443 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-0.378 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cn2cnnc2O)C[C@H]1OCC 982844606 YUHZWCLUOHRWSB-APIJFGDWSA-N 393.444 -0.446 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@H]2O)CC1 1024130771 OAJJRPHMBRDYLI-JOCBIADPSA-N 385.468 -0.454 30 20 GBED N#Cc1cncc(N2CCN(C(=O)[C@@]34COC[C@@H]3C4)[C@@H]3CS(=O)(=O)C[C@@H]32)n1 1054788295 VSOXDCLTGJFORX-DPYKFYPSSA-N 389.437 -0.801 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCCN1CCOCC1 1109843733 ZVARAUSIAPHRBW-SQNIBIBYSA-N 376.501 -0.040 30 20 GBED C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC)C[C@@H]1n1ccnn1 1130012062 MMWNKVHLKNRWHX-TUVASFSCSA-N 389.460 -0.323 30 20 GBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1 1193866904 YZCGNRWDADJBPR-KCYZZUKISA-N 391.472 -0.649 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@H]3CCS(=O)(=O)C3)CC2)c1 1322192862 XPKCWCNBGPMSKZ-CQSZACIVSA-N 391.453 -0.847 30 20 GBED CC[C@@H](NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C1CCOCC1 1323381251 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-0.291 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 1589331833 QDDKBRZUXOPESZ-JTQLQIEISA-N 375.428 -0.028 30 20 GBED N#Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)nc3)C[C@@H]2O)c[nH]1 1606359631 BXKDWLQPJRGXPK-HIFRSBDPSA-N 379.384 -0.169 30 20 GBED C[C@H](CC(=O)N1CCN(C)C[C@@H]1CO)/N=C1/NS(=O)(=O)c2ccccc21 1641533662 MDQHZRHZGYFYDD-CHWSQXEVSA-N 380.470 -0.361 30 20 GBED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1779017191 DPQUKTRPPRCTTC-MZYRPWKCSA-N 375.433 -0.280 30 20 GBED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C(F)(F)F 1783202979 QRTOLRGOWVFSHM-XHDPSFHLSA-N 392.378 -0.472 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C[C@@H]21 1791263770 MUQLNUQGHYYJFN-XAJHFOFHSA-N 398.573 -0.080 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2 1800031614 IOIWMMSIYCRQQM-IVWMJMPLSA-N 397.387 -0.528 30 20 GBED CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801984809 LGRQKHGVTGWMQW-AGGWBTHJSA-N 393.513 -0.246 30 20 GBED CN[C@H](CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1)C(=O)O 1826947578 DXCPWIMABPVFCK-CABCVRRESA-N 393.440 -0.243 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3C)C2)C1 1831390900 ACLFSDLLPADSRQ-KXBFYZLASA-N 390.440 -0.472 30 20 GBED Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1833881943 GRYXMIODDUAIPF-SFHVURJKSA-N 399.411 -0.601 30 20 GBED N#CCC(=O)NC1CCN(C2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1834398234 ITMGOJZCRGMDBK-OAHLLOKOSA-N 378.477 -0.936 30 20 GBED N#CCCC(=O)NC1CCN(C2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1834605817 UGWDLRKZMCSFIV-INIZCTEOSA-N 392.504 -0.545 30 20 GBED CN(C)C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1835428230 BGKJFEUYUNZIPD-NRFANRHFSA-N 399.447 -0.417 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1839808938 LJFBBJQEVWZMPQ-SFHVURJKSA-N 375.429 -0.264 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccs3)C2)C1 1840041443 MUMBQWOROKHSHE-KRWDZBQOSA-N 378.406 -0.094 30 20 GBED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1840292521 WBMZJWQOAGIOOY-SFHVURJKSA-N 379.461 -0.881 30 20 GBED COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840323191 VUASUDNUQUJMFJ-SFHVURJKSA-N 394.428 -0.507 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2 1845255874 WACCJXMNXYLHGS-OAHLLOKOSA-N 384.477 -0.723 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O 1848067383 KSEWQUYZFVZQSI-STQMWFEESA-N 390.444 -0.978 30 20 GBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O 270751158 UCMVMPZWDHQPIY-ZBFHGGJFSA-N 390.465 -0.101 30 20 GBED CN(C)/C(N)=N/CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 271596289 YZKAIJMPBCMDDH-UHFFFAOYSA-N 378.476 -0.333 30 20 GBED C=CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc2c(c1)nnn2O 291960959 OZJMGEMMLBPDJD-SECBINFHSA-N 383.386 -0.819 30 20 GBED CN1C[C@H](/N=C(/O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)CC1=O 329523559 RSAXPLUGAQEBHE-VXGBXAGGSA-N 375.389 -0.012 30 20 GBED CC(=O)N1CCN(CC/N=C(/O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 329739639 NNQUOBGAMGKTRG-CWCFIDOXSA-N 392.456 -0.342 30 20 GBED COCCn1nnc2c1CCN(/C(O)=N/[C@H]1CCCN(S(C)(=O)=O)C1)C2 330355478 QPZHAYILTVVYRI-LBPRGKRZSA-N 386.478 -0.379 30 20 GBED Cn1cc2c(n1)CCC[C@H]2NS(=O)(=O)CCCS(=O)(=O)NCC#N 349533691 GOCOXBAXUNPYIZ-CYBMUJFWSA-N 375.476 -0.450 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCCN(C)CC1 349594188 VLHBOXFHYGSUQP-CQSZACIVSA-N 380.536 -0.092 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2NCCCC2(C)C)CC1 420167746 PRJTTWFRZJQXNV-OAHLLOKOSA-N 379.505 -0.673 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCS(=O)(=O)C1 482142994 YXFSGEDIZOTHLX-DGCLKSJQSA-N 385.467 -0.082 30 20 GBED CCc1c(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cnc2c1c(=O)n(C)c(=O)n2C 513686938 IUSWPRRQPUQHCI-UHFFFAOYSA-N 378.352 -0.087 30 20 GBED CN1CCN(C(=O)c2cc(=NS(=O)(=O)c3ccc(C#N)nc3)cc[nH]2)CC1 538363008 XSOLCCSWWLODKJ-UHFFFAOYSA-N 386.437 -0.041 30 20 GBED COC(=O)[C@@H]1C[C@@H](O)CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 592198566 RWUNPWVUWNGZGM-ZIAGYGMSSA-N 391.428 -0.641 30 20 GBED C=C(CNS(=O)(=O)N1CC[C@@H](C)C1)CNS(=O)(=O)N1CC[C@@H](C)C1 660128108 JPVVZVZLHSVQMM-CHWSQXEVSA-N 380.536 -0.105 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)C[C@H](NC(N)=O)c2cccc(C)c2)CC1 728533879 UQMARAIMZKPNKY-KRWDZBQOSA-N 385.468 -0.012 30 20 GBED CN1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)[C@H](CNC(=O)OC(C)(C)C)C1 764386962 LUBHUQCECFLRNC-GFCCVEGCSA-N 392.460 -0.399 30 20 GBED O=C(CNS(=O)(=O)c1ccccc1F)NCCN/C(O)=C1\N=CC=CC1=O 810382617 REVJAZZFQXZGSL-FOCLMDBBSA-N 396.400 -0.253 30 20 GBED C[C@H]1CC(=NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)NO1 824885350 SDCHXFCWKHUIPZ-DTWKUNHWSA-N 379.402 -0.228 30 20 GBED CCCCn1c(=O)nc(O)c2c1nc(Cn1cnc(C#N)c1-c1nn[nH]n1)n2C 825296512 MMPQUSYLXSCRJL-UHFFFAOYSA-N 395.387 -0.068 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@](C)(O)CCc2ccccc2)CC1 831574638 KOSSLUDTSSGAMG-GOSISDBHSA-N 379.482 -0.018 30 20 GBED C=C[C@H](C)ONC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 846155681 VCCDADFVOBMMJF-LBPRGKRZSA-N 397.457 -0.276 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(OC)n(C)n2)C[C@@H]1O 964610746 OXQYGLXDUCOHAT-RZFFKMDDSA-N 378.429 -0.289 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2coc(C(N)=O)c2)C1 969009885 OFCOBPYWHGNQEP-XFMPKHEZSA-N 377.397 -0.339 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(O)cc2OC)C[C@@H]1O 970707538 PETIXXAPRHDQRM-ZZVYKPCYSA-N 377.397 -0.312 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@H]21 1021795070 DPNDKUIXWOOPRW-HZMVEIRTSA-N 391.468 -0.114 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccoc2CC(N)=O)C1 1025331864 BOFFLCQBGYLLND-TUVASFSCSA-N 391.424 -0.410 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c(C)c[nH]c2CC(N)=O)C[C@H]1O 1025711465 VFPFXLXBUGVFBR-NGFQHRJXSA-N 390.440 -0.756 30 20 GBED N#Cc1c(Cl)nsc1N1C[C@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1044538999 VJTPDFOOVUOKAW-XFWSIPNHSA-N 385.833 -0.633 30 20 GBED COCC/N=C1/NC(=O)[C@H](CC(=O)Nc2cccc(S(N)(=O)=O)c2)S1 1116151730 QVNLZEBRZLTRKE-NSHDSACASA-N 386.455 -0.103 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1 1116484744 HTAHFNVMLTYSNL-UHFFFAOYSA-N 387.440 -0.255 30 20 GBED C#CCCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)n2)O1 1130790173 LCKVKXUVFFRCJR-QKPAOTATSA-N 390.488 -0.027 30 20 GBED CC(C)[C@@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)N1CCOCC1 1223056560 XZZFPQXXSPILIW-CQSZACIVSA-N 378.433 -0.523 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CCNC(=O)c2ccsc2)CC1 1261914492 GSBXLJRZOOTQDC-UHFFFAOYSA-N 384.483 -0.520 30 20 GBED N#Cc1cccc(NC(=O)C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)n1 1326076336 CSAVVJUFDFKBRO-UHFFFAOYSA-N 377.426 -0.035 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCCOCC(F)(F)F)CC1 1335408057 YUBTUPKSEKCURW-UHFFFAOYSA-N 386.396 -0.250 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2Cc2cc(F)ccc2F)CC1 1337041348 QFCJKXUOIJXMEG-UHFFFAOYSA-N 397.411 -0.411 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CCNS(C)(=O)=O)c1 1339020011 JOHWDCFETKJFMT-UHFFFAOYSA-N 375.472 -0.228 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cn2)c(=O)n1CCOC 1353147244 SEJHIOOJPWYGQA-UHFFFAOYSA-N 378.841 -0.146 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)NCc1cc(F)ccc1-c1nn[nH]n1 1573309213 FBTNWWOXWQQKHB-GUYCJALGSA-N 378.408 -0.100 30 20 GBED C=CCOCC(=O)N1CCCO[C@@H](CN[C@H](C)C(=O)NCc2cnn[nH]2)C1 1575108396 KIIMBUFIOKLOPK-HIFRSBDPSA-N 380.449 -0.781 30 20 GBED C=CCOCCN1CCC(N(Cc2cnn[nH]2)C(=O)[C@H]2CN(C)C(=O)N2)CC1 1575109870 FJLARAUOZOXKAP-MRXNPFEDSA-N 391.476 -0.176 30 20 GBED C#CCNC(=O)[C@@H](C)NC1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCC1 1588353198 KGXAYIIYDTXCEC-GFCCVEGCSA-N 384.444 -0.035 30 20 GBED C#CC[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)O 1588405726 SMDJSRHHSFIQIQ-GFCCVEGCSA-N 384.410 -0.035 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1cccc(C(=O)O)c1C#N)C2 1598135502 RJFVTWGDWYWFJT-UHFFFAOYSA-N 384.396 -0.281 30 20 GBED C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@@H](C(=O)O)O1 1599852543 YXBDXBITERDPSE-MFKMUULPSA-N 384.352 -0.222 30 20 GBED N#Cc1cccc([C@@H](C(=O)O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 1601119785 YDZRWTAKDLAGAP-SFHVURJKSA-N 384.392 -0.023 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCO[C@H]1C(=O)O 1601280083 ZABUMASNTCINCS-QMTHXVAHSA-N 381.410 -0.279 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)c1nc(C)cc(-c2nn[nH]n2)n1 1602794151 JFWZHJFNZWYPLO-PXAZEXFGSA-N 390.448 -0.452 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@]2(CC(=O)O)CCCOC2)cc1 1608210175 DDTAPHOKYURFKO-INIZCTEOSA-N 381.410 -0.023 30 20 GBED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778936162 XFYXFRGLKVMISU-SFHVURJKSA-N 378.429 -0.325 30 20 GBED Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)S)C3)c(=O)[nH]c1C 1794312751 XPTFSOPGPKZHDO-RVMXOQNASA-N 380.470 -0.092 30 20 GBED CC(=O)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797839421 FOUVDERULYEDIP-IAILGRRXSA-N 390.440 -0.186 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)N1CCOCC1)C2 1798396741 QZNCRMWLMSBORY-ORDFZIBCSA-N 395.500 -0.152 30 20 GBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCN(C)CC1 1799183754 DZGKESZXSARWBX-BMFAXAFESA-N 376.501 -0.375 30 20 GBED CC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1800510442 SXTQVBTZPCDOQI-BSFCKHISSA-N 376.413 -0.576 30 20 GBED CC(C)n1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)n1 1800778209 GWGSHPDDEJUAAC-JJLQDPRZSA-N 375.385 -0.850 30 20 GBED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800981594 XTPMTQHCXDEJGR-OFTGVCEQSA-N 393.531 -0.778 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)n[nH]1)CC2 1825664596 LQXXTUSGONEGJH-ZETCQYMHSA-N 375.366 -0.114 30 20 GBED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830051130 YWFIWSXVQMQTIG-AUUYWEPGSA-N 394.472 -0.093 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC=CCC1)CCO2 1830566933 ACPJXFVZKMTFAB-BEFAXECRSA-N 376.409 -0.113 30 20 GBED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCCO3)CC2)CC1 1834903002 CWOWHJUUFVFHOZ-MRXNPFEDSA-N 377.441 -0.175 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1840166496 LOKUUQFBHLUEJC-HNAYVOBHSA-N 379.457 -0.242 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]cnc4n3)C2)c1 1843009165 PHGZOZXCCZISIV-UHFFFAOYSA-N 392.379 -0.252 30 20 GBED C=CC/N=C(/NC[C@@H]1CCS(=O)(=O)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 262513716 BZUMQCUCUJOGRL-JKSUJKDBSA-N 398.529 -0.124 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 288773222 XXSKPRVZTWJMGD-CFVMTHIKSA-N 375.429 -0.261 30 20 GBED COCCN(CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1CCS(=O)(=O)C1 290077787 WIMLSXXTXSFESU-CQSZACIVSA-N 387.483 -0.138 30 20 GBED C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 298093856 MFVCWIKIIURZIW-MRXNPFEDSA-N 378.473 -0.422 30 20 GBED C=CCn1c(=O)/c(=C/c2ccnn2C)s/c1=C(/C#N)C(=O)N1CCOCC1 298282454 DHEQBSJHFVKJBK-OWMWEOKGSA-N 385.449 -0.809 30 20 GBED COCCN(CCOC)S(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1 298996503 ARPVOLWENNTGHT-UHFFFAOYSA-N 383.474 -0.085 30 20 GBED Cn1cc(N2CCC[C@H](/N=C(/O)N3CCc4nn(C)c(=O)cc4C3)C2=O)cn1 329816763 WEEVIHZFXLGVJB-HNNXBMFYSA-N 385.428 -0.019 30 20 GBED CN(/C(O)=N/CCN1CCN(C)C(C)(C)C1)[C@@H]1CCN(S(C)(=O)=O)C1 330194689 BFMUPNQVLWCLAQ-CQSZACIVSA-N 375.539 -0.108 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)NCC1(C)C 349489364 GLOXBDVMHOGXPQ-UHFFFAOYSA-N 394.519 -0.520 30 20 GBED Cn1cnc(NS(=O)(=O)CCCCS(=O)(=O)N2CC[C@@](F)(C#N)C2)n1 349599704 BJVMWOQOKFNKNO-GFCCVEGCSA-N 394.454 -0.396 30 20 GBED C[C@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 443255877 XDQLCJGKHZADKB-BONVTDFDSA-N 384.371 0.462 30 20 GBED CNC(=O)N[C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 466394956 GIJDYIFQRHPMNV-YPMHNXCESA-N 379.442 -0.245 30 20 GBED O=C(NCC#Cc1ccccc1)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 475714506 KHTFRWVJARQNTA-UHFFFAOYSA-N 395.419 -0.152 30 20 GBED C=CCOC[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)OC 481567808 DKCSGCKSSWZPPD-NSHDSACASA-N 378.428 -0.492 30 20 GBED COCCN(CC(=O)OC)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 512263192 HMVZUWBPPZIMGN-UHFFFAOYSA-N 379.417 -0.375 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CC(N)=O 531884076 CUTMVXRBGQMGAC-UHFFFAOYSA-N 385.449 -0.872 30 20 GBED Cc1c(C(=O)NCC2CCN(CC#N)CC2)cnc2c1c(=O)n(C)c(=O)n2C 533027836 BYZHSGQOCDJDJN-UHFFFAOYSA-N 384.440 -0.094 30 20 GBED CN([C@@H]1CCNC1=O)S(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 570059776 DQDSADUJSJEODQ-CYBMUJFWSA-N 398.466 -0.470 30 20 GBED CN(C)C1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC#N)CC#N)cc2)C1 581954334 TUUOIHBQTFUFAB-UHFFFAOYSA-N 397.482 -0.341 30 20 GBED CN(CC(C)(C)O)S(=O)(=O)CCCS(=O)(=O)Nc1ncc(C#N)s1 594638779 LBCHAUZTRGUOND-UHFFFAOYSA-N 396.516 0.179 30 20 GBED Cn1nc(C(F)(F)F)cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C)c1=O 596167840 OBCACZUNRIHROH-UHFFFAOYSA-N 397.382 -0.019 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@H](O)C(=O)OC)CC2)cc1 747518841 PRWWSQFVOJCHLX-INIZCTEOSA-N 394.449 -0.016 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 756752901 UECZGAIDCMINKN-VHSXEESVSA-N 387.418 -0.970 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=S)NCCNS(C)(=O)=O 756799307 DTJQDECZWICPBM-LLVKDONJSA-N 383.503 -0.718 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CC[C@H](S(N)(=O)=O)C2)C1 770794696 KBOXVKLJKQFCCA-SRVKXCTJSA-N 387.462 -0.182 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCC2CN(S(C)(=O)=O)C2)cc1 777985083 QZZFECWWVASTOY-UHFFFAOYSA-N 385.467 -0.781 30 20 GBED C=CCOC[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 796455672 MCASWCRVRNRNSO-CYBMUJFWSA-N 395.437 -0.024 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]32)[nH]1 976019783 BASOLSQHFGGIQR-VCOSZWKGSA-N 385.424 -0.018 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@@H]1C 988254676 LAALDDRAPSPQKS-DRMAHVMPSA-N 392.500 -0.105 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1C 988328141 ADZKCAJPLGPRSJ-MQYQWHSLSA-N 390.444 -0.536 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC(C)CC2)C1 1023754387 KPCDHEHBHDGFLL-VQHPVUNQSA-N 393.484 -0.086 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cn(C)nc2C)C1 1024246188 KMVJJFPLMZXFHW-LHHMISFZSA-N 376.457 -0.060 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn(CCOC)n2)C[C@H]1O 1025709399 MWBGIUOKOZLZFL-MIGQKNRLSA-N 378.429 -0.578 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(C(=O)OC)n2)C[C@@H]1O 1044671054 SVSARKNEYOHMEV-MQYQWHSLSA-N 376.413 -0.090 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@@H]1n1ccnn1 1070051827 RFBZGESKQINTFX-XFMPKHEZSA-N 388.432 -0.375 30 20 GBED NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(CC#Cc3ccccc3Cl)C[C@H]2O)O1 1077668518 CTUSPSSGUWCLJD-WCXIOVBPSA-N 391.855 -0.114 30 20 GBED CCS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)cc(C#N)n1 1092922540 XLHFXUIEMFKIOG-RDBSUJKOSA-N 378.458 -0.178 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccccc1-n1cnnn1 1111383207 FEOHOHMLOVXVNM-XPKDYRNWSA-N 380.412 -0.363 30 20 GBED C=CCNC(=O)NC(=O)CN1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1113135354 HCQJRSYZWSBMHQ-OFQRWUPVSA-N 380.445 -0.806 30 20 GBED N#Cc1ccc(S(=O)(=O)CCN2CCS(=O)(=O)[C@H]3COCC[C@H]32)nc1 1195002957 YFPGPRZXTCRBDQ-KGLIPLIRSA-N 385.467 -0.385 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1260310539 ZPWOLHZTFFOFAG-IAGOWNOFSA-N 392.500 -0.599 30 20 GBED CCN(C1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1)S(C)(=O)=O 1321232848 XBAQBLNLFGYACM-ZDUSSCGKSA-N 380.492 -0.799 30 20 GBED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O 1325993915 VXAPFANWEGQDSI-INIZCTEOSA-N 399.451 -0.288 30 20 GBED CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1329716588 IDQYBJKRMBXYDD-GDBMZVCRSA-N 375.473 -0.050 30 20 GBED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1343049591 IEKWOFZUBBXJQO-BFHYXJOUSA-N 399.455 -0.584 30 20 GBED CC#CCn1nnnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 1344538871 AEFPAIPFVHIBOU-KBPBESRZSA-N 383.478 -0.828 30 20 GBED C#CCSCCn1nnnc1N1CCN(S(=O)(=O)CCCOC)CC1 1352340638 ULUXAMUZZLAXLV-UHFFFAOYSA-N 388.519 -0.472 30 20 GBED Cn1c(=O)[nH]c(NCCC(=O)N2CCN(c3ccccn3)CC2)c(C#N)c1=O 1458143665 WINBDZRWQZGHSK-UHFFFAOYSA-N 383.412 -0.509 30 20 GBED C=CCCOCC(=O)N[C@H]1[C@H]2C[C@H]1N(C(=O)CC(=O)NCc1cnn[nH]1)C2 1575100347 PUJRUHOQALTOSQ-PPHDSNJXSA-N 376.417 -0.881 30 20 GBED C[C@]1(CNC(=O)C#CC2CC2)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1575770185 UPONFLPEEGGWAL-SFHVURJKSA-N 383.412 -0.045 30 20 GBED N#CCSCC(=O)N1C[C@@H]2CCC[C@H](C1)N2CC(=O)NCc1cnn[nH]1 1577710236 TWDIEJWKZPLWHI-OKILXGFUSA-N 377.474 -0.257 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588353141 IBHSFAGBWWJDII-ZGFBFQLVSA-N 382.428 -0.332 30 20 GBED C#CCOCCC(=O)N[C@@H]1[C@H]2C[C@H]1N(c1cc(-c3nn[nH]n3)nc(CC)n1)C2 1588359811 YVQVOXWRNXNXDZ-XTQGRXLLSA-N 382.428 -0.048 30 20 GBED C#Cc1ccccc1CC(=O)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)nn1 1588377048 OOQWHAIACKWKPE-AWEZNQCLSA-N 378.396 -0.230 30 20 GBED O=C(O)[C@@H]1CS(=O)(=O)CCN1CC#CCN1C(=O)c2ccccc2C1=O 1601854581 PZIOZAJJIGAQJI-AWEZNQCLSA-N 376.390 -0.530 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCO)CCNc1cncc(-c2nn[nH]n2)n1 1602770453 ZVFVBGGQOGWEQW-WFASDCNBSA-N 388.432 -0.129 30 20 GBED C=CCCC[C@@H](NC(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O)C(=O)OC 1602834094 GCVUXOBWSRVLJR-SNVBAGLBSA-N 377.361 -0.857 30 20 GBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 1604921404 QNGIZULVGUVZRQ-ZNMIVQPWSA-N 384.396 -0.069 30 20 GBED Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 1605767933 SJAHPHKGACANLD-ZIAGYGMSSA-N 379.384 -0.251 30 20 GBED O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCNc1ncccc1-c1nn[nH]n1 1606523755 GUXCGDALGUSZHF-VKAVYKQESA-N 397.399 -0.294 30 20 GBED C#CCSCCNC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1609021451 AJBOYTSOALGMKR-UHFFFAOYSA-N 380.455 -0.372 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=S)NC)C2)C1 1779035655 YOXHJFCPIDIMRD-KBXCAEBGSA-N 396.513 -0.661 30 20 GBED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)C=CC2=O)C1 1782317757 ISGNNIQMCLHESN-FOIQADDNSA-N 387.436 -0.161 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC(N)=O)C2 1793342684 LUUDYUOJBHIXET-UXXRCYHCSA-N 380.445 -0.939 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](N)c1ccccn1)C2 1793342879 XKXLPBADDWKLBY-DTJSUFBGSA-N 386.452 -0.291 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ccccn2n1 1796834218 RSCUIIPOAHOTSS-IVWMJMPLSA-N 382.376 -0.375 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnn1C)C2 1797706596 JARAMKYLXZBSNV-AYRXBEOTSA-N 377.445 -0.409 30 20 GBED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CNC(=O)O2)C3)cc1 1798921834 VXNMBEUDRPGSLM-FZKCQIBNSA-N 384.392 -0.130 30 20 GBED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1800490457 ZJAAQLKCSMRSOK-RNGZQALNSA-N 381.473 -0.561 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H](C(=O)OC)C1)CCO2 1830717649 LAUMICJEMWYVFN-KHYOSLBOSA-N 378.425 -0.335 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3)C2)C1 1831393581 YJNVPMWYZDSYDD-KDOFPFPSSA-N 377.397 -0.217 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)n(C)n1)CCO2 1833410892 UQZQTWNURLGXFR-LJQANCHMSA-N 390.440 -0.001 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1839840904 NHUKIBMZAHXNCP-PBHICJAKSA-N 378.433 -0.658 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CN1CCN(C(C)=O)CC1)C2 1841600743 PVPGAAPFYNNVBC-MRXNPFEDSA-N 390.484 -0.608 30 20 GBED N#CCCC(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1842812948 UWOABSSVYYQVHU-UHFFFAOYSA-N 377.426 -0.041 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 7884079 ZBQXWEKGBZPILE-UHFFFAOYSA-N 390.421 -0.460 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)C1=O 265947270 XMZDPQKWQKNHJL-NWDGAFQWSA-N 385.442 -0.223 30 20 GBED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCC(=O)NCCO)cc1 270679902 RHFGNKCVMJTMRK-ZHZULCJRSA-N 397.457 -0.271 30 20 GBED C=CCNC(=O)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C)c(C)c1 273103851 MQBYIUBJQXNAPT-HOCLYGCPSA-N 395.481 -0.154 30 20 GBED Cn1c(=O)ccn(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1=O 277071940 QSXCNBUGJYTUQZ-HNNXBMFYSA-N 381.392 -0.664 30 20 GBED COCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 286605163 OLYUBFRWXNTIOB-INIZCTEOSA-N 386.456 -0.561 30 20 GBED C=C[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 290131706 HLMMHZJRTFYPND-GFCCVEGCSA-N 376.456 -0.467 30 20 GBED CCN1CCN(CCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 290375611 ICEFTFFLRSWTBE-UHFFFAOYSA-N 379.486 -0.410 30 20 GBED N#CCOc1cccc(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 299032695 YNOCTGJNNZAYGZ-UHFFFAOYSA-N 385.424 -0.050 30 20 GBED Cn1ccnc1[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)NCC#N)C1 349466925 RPNCBYHMJFNKDZ-LBPRGKRZSA-N 375.476 -0.628 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C 349479997 MDQOCRLUZZXYFN-MZFXBISCSA-N 399.560 -0.277 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 349510349 YYXXKSKLTFFANH-GFCCVEGCSA-N 395.894 -0.054 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 349615310 ZUMTUTMARFBYES-BYNSBNAKSA-N 389.499 -0.233 30 20 GBED C[C@]1(c2ccc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)cc2)NC(=O)NC1=O 410140525 JBUNTAZHNDUCCT-XJKSGUPXSA-N 393.425 -0.700 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3N)CC2)nn1 424551926 XABMCHZSYUPSJK-HOTGVXAUSA-N 376.461 -0.175 30 20 GBED COc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C)c1=O 489177562 IFROJZZVHRGXFD-UHFFFAOYSA-N 385.445 -0.183 30 20 GBED CN(CCS(=O)(=O)NCC(=O)NCC#N)S(=O)(=O)c1ccc(F)cc1 511057461 LADUSAFEZPKULP-UHFFFAOYSA-N 392.434 -0.995 30 20 GBED N#Cc1ccc(NC(=O)CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 533060245 BYVFQRPBPVSIDY-HOTGVXAUSA-N 378.454 -0.416 30 20 GBED CCN(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 563428385 CAXOLQZTTIPAOS-UHFFFAOYSA-N 399.498 -0.046 30 20 GBED CSC[C@H](CCO)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 563428458 VXVMHFXQHUKLEK-NSHDSACASA-N 393.512 -0.119 30 20 GBED COCCOCCCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 566486609 KCMSPIAHLNURBB-UHFFFAOYSA-N 391.471 -0.180 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](CNC(N)=O)C2)cc1 566798509 CYBRGVCFYRIHBX-ZDUSSCGKSA-N 379.442 -0.257 30 20 GBED C[C@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)S(C)(=O)=O 574595188 XULFNZJKKVHPCE-ZBFHGGJFSA-N 392.481 -0.228 30 20 GBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 592925406 UMCGXIDDAHENTA-IACUBPJLSA-N 395.437 -0.393 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)cc1 597737227 QFWCQBNSADOJSH-CQSZACIVSA-N 379.442 -0.538 30 20 GBED N#Cc1sccc1N1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 597933483 GEFNLRGKWSYSDW-UHFFFAOYSA-N 380.455 -0.188 30 20 GBED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCN(CC#N)CC1 609329582 AGALFKPAZODHLS-UHFFFAOYSA-N 395.485 -0.236 30 20 GBED N#CCn1c(CN2CCC[C@H](CNS(N)(=O)=O)C2)nc2ccccc2c1=O 730570315 HICONTJJZUIGKK-CYBMUJFWSA-N 390.469 -0.075 30 20 GBED C#CCNC(=O)C1CCN(C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 755258074 NQRXAUCUAMSWJD-LUKYLMHMSA-N 398.463 -0.036 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)NCc2ccccc2F)CC1 761038685 QIZAILXWXYXUOG-AWEZNQCLSA-N 382.461 -0.084 30 20 GBED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H](CO)NC(N)=O)c1 765472647 YLEMIFXKRHXZEA-XLCLWTIASA-N 383.430 -0.533 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)OC)c(F)c2)CC1 770255917 FSRZIIGEKHYQRR-UHFFFAOYSA-N 397.428 -0.332 30 20 GBED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(CCOC)c2=O)cn1 772278057 KOKBZZWGAMVACQ-UHFFFAOYSA-N 387.465 -0.118 30 20 GBED C#C[C@H](NC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1)[C@@H]1CCCO1 793873254 XWUBPANDCWGQPK-RLFYNMQTSA-N 381.498 -0.393 30 20 GBED C#CCN1CCN(C(=O)CONC(=N)c2cnc(OCC(F)F)cn2)CC1 800873303 SWRQOIIFTZYHAP-UHFFFAOYSA-N 382.371 -0.256 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)Cn2c(N)nc(-c3nn[nH]n3)c2C#N)CC1 824184497 GZPPJDDMHDFZCM-NSHDSACASA-N 383.420 -0.791 30 20 GBED CN(C)S(=O)(=O)c1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)co1 825875772 XUNGNUPCZKDAKO-UHFFFAOYSA-N 377.346 -0.443 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CCCO)cc1 848943492 HRJVAVVUDHFCQG-UHFFFAOYSA-N 385.467 -0.163 30 20 GBED C[C@H](CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)S(N)(=O)=O 853990964 YRVTYEURIZZWRU-GMTAPVOTSA-N 375.451 -0.278 30 20 GBED CC(C)(C)OC(=O)N1CCOC[C@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 859338982 ZGGKFNHSFWRROR-OLZOCXBDSA-N 390.462 -0.319 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 914665571 XESBQRISRDGHDV-GFCCVEGCSA-N 393.421 -0.898 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C 988283582 NHUUWNUCEJYSMZ-OSFYFWSMSA-N 390.444 -0.536 30 20 GBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2CCNC(=O)C2)c1 999121856 GPOQTBDQLCTIRJ-IKGGRYGDSA-N 381.436 -0.644 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1017748940 TWEOCARTYJEJAI-FXUDXRNXSA-N 377.441 -0.115 30 20 GBED C#CCN1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 1058224844 JDRJAWPNFDRNOC-XLAORIBOSA-N 377.485 -0.164 30 20 GBED C#CCCN1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)[C@@H]2CS(=O)(=O)C[C@@H]21 1094647795 DUMQYNLGXRWBLA-SMLCLMEVSA-N 382.482 -0.629 30 20 GBED COCCn1nnc2c1CCN(C(=O)C(=O)Nc1cc(C)nn1CCC#N)C2 1117754778 OIPFXGYQHGTEAQ-UHFFFAOYSA-N 386.416 -0.134 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(C)=O)CC1 1118844865 LBRDXUHOPPYSSN-INIZCTEOSA-N 376.457 -0.508 30 20 GBED C=CCOCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1129122261 HJFHXHAYZGFULZ-IECFSIQFSA-N 391.472 -0.126 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2cc(=O)n3ccccc3n2)CC1 1261519908 IGZMOCCYCNNZKX-UHFFFAOYSA-N 395.419 -0.701 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCC[C@H]1C(=O)Nc2ccccc21 1321806211 FTRQFLOVAIFSJQ-CYBMUJFWSA-N 379.438 -0.054 30 20 GBED C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)CCO2 1322696338 VSIARWYVIVXGLY-ZVAQWUQYSA-N 392.412 -0.965 30 20 GBED CC[C@H](NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C1CCOCC1 1323381252 RSQFZPRUKTVKBJ-ZGTROFRASA-N 378.429 -0.050 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N(C)CC(C)(C)CN2CCOCC2)nn1 1325949119 ZINMINVLKFJXPM-UHFFFAOYSA-N 378.477 -0.103 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CC(=O)N(C4CC4)C3)CC2)c1 1326753942 QHZTUAADINBMBX-AWEZNQCLSA-N 382.424 -0.519 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@H](n3cncn3)C2)CC1 1326933365 JHZPNHLHYMYVTK-LBPRGKRZSA-N 388.475 -0.780 30 20 GBED COC(=O)c1cc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)ccc1OC 1332201612 JYXZUMOXZCKOSG-GOSISDBHSA-N 375.381 -0.025 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 1342444294 FDEVJLFKWLOXRL-CYBMUJFWSA-N 388.384 -0.864 30 20 GBED CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CC#N 1503282325 PWOOTMQQWRIKHU-NEPJUHHUSA-N 383.478 -0.093 30 20 GBED C=C(C)Cn1c(CN2CCC(O)CC2)nnc1N1CCN(S(C)(=O)=O)CC1 1524119585 IBCXDZWGYKXHPE-UHFFFAOYSA-N 398.533 -0.108 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573285435 IBHSFAGBWWJDII-QJZXMWHDSA-N 382.428 -0.332 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@]1(C)CN(c2cnc(-c3nn[nH]n3)cn2)CCO1 1573287146 LYVSZZSFDHVBHZ-PXAZEXFGSA-N 386.416 -0.594 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[nH]n3)n2)C1 1573351300 PVHVVCFUPDTONY-BTJLNZGRSA-N 386.416 -0.695 30 20 GBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2cnn[nH]2)nc1 1575004928 PYGCXXWKQDVRMO-JSGCOSHPSA-N 386.412 -0.546 30 20 GBED C=C[C@@](C)(O)CC(=O)N(Cc1cnn[nH]1)C1CCN(C[C@H](O)COC)CC1 1575074425 WGZGSKPGRIAVLQ-FUHWJXTLSA-N 381.477 -0.068 30 20 GBED C=CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCCN1Cc1cnn[nH]1 1575109135 VKVWYFRJIFPRIG-HOTGVXAUSA-N 375.477 -0.348 30 20 GBED N#Cc1cc(C(=O)NC[C@H]2CN(CC(=O)NCc3cnn[nH]3)CCCO2)c[nH]1 1577712775 YRTYLIUPKMGEIE-HNNXBMFYSA-N 386.416 -0.858 30 20 GBED N#Cc1ncc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nc1-c1nn[nH]n1 1581882399 WZAQXELHZYWGRP-MRXNPFEDSA-N 390.411 -0.123 30 20 GBED C#CCN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 1588348840 QAUJFNSDTGIBAD-OLZOCXBDSA-N 395.427 -0.791 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1588350935 AUJOYXYYVGGBHV-AWEZNQCLSA-N 382.428 -0.329 30 20 GBED C#CCOCCC(=O)N1C[C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]21 1588358800 BQCHUCNTTWBKBU-IUODEOHRSA-N 383.412 -0.092 30 20 GBED CNC(=O)CN1CCCN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)CC1 1591209148 YCOPHYVELNTTHO-INIZCTEOSA-N 396.455 -0.171 30 20 GBED CS(=O)(=O)[C@H]1C[C@]1(CNS(=O)(=O)c1ccc(C#N)cc1F)C(=O)O 1599763288 BMLOKYREFHMUFB-WCQYABFASA-N 376.387 -0.136 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[C@H](C(=O)O)C3)C2=O)cc1 1610627589 CBOXBNYZMBRYCZ-LSDHHAIUSA-N 384.392 -0.292 30 20 GBED CN(C)c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cn1 1779765299 YIWWSTLRPUQTQV-LJQANCHMSA-N 386.408 -0.321 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)CN)CCO3)c1Cl 1780192636 ZXSBPQGIWYEVLE-KBXCAEBGSA-N 391.859 -0.059 30 20 GBED CCS(=O)(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780330726 FOYDOHISTLDFIZ-QGZVFWFLSA-N 394.453 -0.235 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781045042 KYFRYQLQGOUSMV-LLDVTBCESA-N 382.461 -0.660 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782954924 YNEQNDASDQICPO-VKJFTORMSA-N 398.481 -0.568 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1783565436 UEAOPMDJMNPYDV-SFHVURJKSA-N 383.364 -0.739 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncnn3C)C[C@@H]21 1788571564 NPVRXOCIXAVCCA-ZQDZILKHSA-N 391.472 -0.019 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2 1799394072 SYPVYCBPAZVJKN-XPCVCDNBSA-N 379.421 -0.936 30 20 GBED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2)n1ccnn1 1800267964 PDRZVJYKYRIETC-OEYIWLLWSA-N 383.412 -0.058 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1831438074 LMROABDZCDPWET-KXBFYZLASA-N 381.473 -0.405 30 20 GBED COCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834972656 ZNGXZNNLBYSDQI-JEZCDEBDSA-N 399.444 -0.382 30 20 GBED CN(C)C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1835439461 IWJHFHBWMWDXKC-SFHVURJKSA-N 378.429 -0.775 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNC(C)=O)CCO2 1839885939 AKIYQOPOFDIFLS-LJQANCHMSA-N 379.457 -0.228 30 20 GBED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1840292255 FLXLKPUMXHCSAP-OXJNMPFZSA-N 391.468 -0.085 30 20 GBED CN(CC(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2)C(=O)C(=O)O 1845809379 YJXMPWRXTOQJRM-UHFFFAOYSA-N 393.444 -0.985 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCc1nc(N)n[nH]1 1847262394 QYKHUDOJOVHBLS-ODBHDECVSA-N 387.444 -0.620 30 20 GBED N#Cc1cccc(CS(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 265628973 SHIGQMJODPEKPD-HZPDHXFCSA-N 399.494 -0.525 30 20 GBED CCOCCS(=O)(=O)NCC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 268145078 DZNAYAVDTJUVBS-CYBMUJFWSA-N 396.473 -0.659 30 20 GBED N#CCCN(CCN1CCOCC1)CC(=O)Nc1cccc(S(N)(=O)=O)c1 268539591 ZRHAPODYRFNCDC-UHFFFAOYSA-N 395.485 -0.180 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCC[C@H](O)[C@@H]1C(=O)OC)c1cc[nH]n1 278282352 GQMAQQRUBXJROA-FZWVAPGCSA-N 382.373 -0.782 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(OCCO)CCOCC2)cc1 282050100 COTSEDWGVSDHRV-UHFFFAOYSA-N 396.465 -0.114 30 20 GBED C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 297869691 UGBSIJHWWTXVEB-NUEKZKHPSA-N 388.424 -0.069 30 20 GBED O=C(CC/N=C(/O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccccn2)CC1 328778668 LTJATRBFBNBWNB-CQSZACIVSA-N 395.485 -0.189 30 20 GBED N#Cc1cccnc1NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@H]1O 349539323 VXOBOJYCLUNLKH-CHWSQXEVSA-N 388.471 -0.082 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCCS(=O)(=O)N[C@@H]1CCOC1 349564631 KOHKZSUYZXLPOV-OLZOCXBDSA-N 397.544 -0.254 30 20 GBED C[C@@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 349576191 QSGCPIPXJXPAQW-NWDGAFQWSA-N 380.517 -0.274 30 20 GBED C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 363105252 UXFJYHKKZRVDEP-IAOVAPTHSA-N 393.465 -0.060 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@H]4OCC(=O)N[C@@H]4C3)C2=O)cc1 373778321 SWBFNUCGZRRQMO-GVDBMIGSSA-N 397.435 -0.042 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)CC1 374222303 FLHFYCWSOHWEOP-QWHCGFSZSA-N 388.390 -0.273 30 20 GBED COC(=O)C1CCC(NS(=O)(=O)N2CCO[C@@H](C#N)C2)(C(=O)OC)CC1 409500147 NFCMRDJQTATLEB-AVERBVTBSA-N 389.430 -0.680 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NCCNS(=O)(=O)N(C)C)c1 451533363 WFPBVJVHDFMGSG-UHFFFAOYSA-N 390.487 -0.723 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC[C@H]3C[C@@H](C)O)CC2)o1 464625680 KNWOVVFCNDEDDL-UKRRQHHQSA-N 377.445 -0.025 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCCS(=O)(=O)C1 482142993 YXFSGEDIZOTHLX-AAEUAGOBSA-N 385.467 -0.082 30 20 GBED CC[C@H](C(=O)OC)N1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1 511254880 ZZGUFSCMMIYXKO-CQSZACIVSA-N 376.479 -0.338 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C(C)(C)C(N)=O)cc1 517756603 GNXGMVKGPGNXKW-JTQLQIEISA-N 388.471 -0.239 30 20 GBED N#Cc1ccc(S(=O)(=O)CCN2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@@H](O)[C@@H]32)nc1 519651902 NNZQZPBEWXTPAC-LQZBUGDKSA-N 375.450 -0.213 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CC(N)=O 524282771 KEWARBOPJSCVAO-UHFFFAOYSA-N 382.445 -0.491 30 20 GBED CN(C)C(=O)N1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 552711120 JYXYZWQIBOKXBZ-UHFFFAOYSA-N 375.433 0.274 30 20 GBED N#CCN1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 563181169 ZNDFNNNYVPFAIQ-UHFFFAOYSA-N 394.453 -0.206 30 20 GBED COC(=O)CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C#N)cc1OC 563633237 HBNJIFNXABOCGH-CYBMUJFWSA-N 388.380 -0.214 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)c3cnn(C)c3)CC2)c1C#N 580900351 RKZKKUSXMQKUDW-GFCCVEGCSA-N 384.444 -0.140 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccs2)CC1 728532659 GLOJNEAXUSAHJF-ZDUSSCGKSA-N 398.510 -0.692 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2ccc(F)cc2-c2nn[nH]n2)c1=O 735442735 JDRFEUNHHDXXMR-UHFFFAOYSA-N 385.359 -0.089 30 20 GBED O=C(Cn1ccc(C=NO)nc1=O)NCc1ccc(C(=O)N2CCOCC2)cc1 736302112 GFVGDLLCNMDIIY-UHFFFAOYSA-N 399.407 -0.160 30 20 GBED Cn1c(=O)c2c(ncn2CC(=O)O[C@@H](C(=O)O)c2ccc(C#N)cc2)n(C)c1=O 739000379 ZOPITBZZXCBBMQ-CQSZACIVSA-N 397.347 -0.326 30 20 GBED N#CC1(CS(=O)(=O)NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC1 753945759 ULHQTGAHKSFKCZ-CYBMUJFWSA-N 375.410 -0.144 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1)[C@H]1CCCO1 785641895 CYNHBDFZQGKRRD-HZPDHXFCSA-N 393.465 -0.351 30 20 GBED Cn1[nH]cc2c(=NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)ccnc1-2 806971984 BMKVERQLGFAKJX-UHFFFAOYSA-N 390.407 -0.104 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCN1C(=O)N[C@H](C)C1=O 837582580 STODEPRMOSVOOT-GHMZBOCLSA-N 394.409 -0.291 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 848957535 MKAWDWIPDBSABM-KLHDSHLOSA-N 399.494 -0.620 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn(CCOC)n2)C[C@@H]1O 964610685 MTGBSADPPWFEBG-SIXLDLHFSA-N 392.456 -0.188 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)nc2COC)C[C@@H]1O 964615332 NBYSZYBZHXXTSK-IRWJRLHMSA-N 392.456 -0.151 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)c(OC)co2)C[C@@H]1O 964615376 OYMXHTQCYJPXMP-UXOAXIEHSA-N 392.408 -0.069 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@H]1O 1023957877 CMQOINRVSWLBRF-SRABZTEZSA-N 389.456 -0.029 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1O 1023958824 XAVMKQNLYZSOTL-NGFQHRJXSA-N 376.413 -0.604 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(CCN3CCNC3=O)C[C@@H]21 1083085165 CEAHZKCYWXDNJO-LTIDMASMSA-N 378.473 -0.096 30 20 GBED COC[C@@H]1CCCCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1117317497 IKNURNKDRQBISI-JFVSRZABSA-N 378.429 -0.096 30 20 GBED CC[C@@H]1C[C@H]1C(=O)NCc1nc([C@H]2CC[C@@H](CNCC(=O)NCC#N)O2)n[nH]1 1130807247 UZINCIBVFVKOGK-XJFOESAGSA-N 389.460 -0.084 30 20 GBED N#Cc1cn(CCC(=O)N2CCCC[C@H]2C(=O)NCC(F)F)c(=O)nc1O 1140954402 MJNBZCAELCTVKW-NSHDSACASA-N 383.355 -0.027 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)C1=O 1256560250 NGYIQNLFCAGKBA-CYBMUJFWSA-N 376.417 -0.845 30 20 GBED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1CCC[C@@]12CCOC2=O 1261566630 SOYHPTMPOUFZSK-ZDUSSCGKSA-N 379.460 -0.679 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 1324838989 WXJJYBYRLODILN-KFWWJZLASA-N 388.486 -0.254 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)NCCS(=O)(=O)N2CCCC2)CC1 1334612621 CFCWDQZMXSAVJB-UHFFFAOYSA-N 386.518 -0.315 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](C(C)C)N2CCOCC2)CC1 1340336927 VKIQFQXLBKIDSL-QGZVFWFLSA-N 392.500 -0.553 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)O1 1343310765 WPIOMOVVMQIKAN-KGLIPLIRSA-N 388.428 -0.767 30 20 GBED CS(=O)(=O)NCCNC(=O)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 1346142975 TWLZFIBGIRHWFL-AWEZNQCLSA-N 380.426 -0.876 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H](OC(=O)N(C)C)C2)C1=O 1348355637 LHZZCCMOEYDGIQ-UONOGXRCSA-N 380.445 -0.079 30 20 GBED N#Cc1cnn2cc(CN[C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)cnc12 1349410435 VKSOCPOZSHZZPV-CABCVRRESA-N 376.442 -0.812 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3COC(=O)C3)CC2)cc1 1471152889 NQRXKLMPFHHJCL-ZDUSSCGKSA-N 378.410 -0.110 30 20 GBED C#CCN1CCC(c2nnc(N3CCN(C(=O)C(=O)NC4CC4)CC3)n2C)CC1 1519726909 MRGZZWVXIMNZGH-UHFFFAOYSA-N 399.499 -0.445 30 20 GBED N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCOC2)C1 1555985442 PGJSFYQWVFYWPN-APHBMKBZSA-N 399.448 -0.226 30 20 GBED C#CCNC(=O)CN1CC(NC(=O)c2ccc(OCCc3cnn[nH]3)cc2)C1 1575004195 BAWBQQRHNVHNGK-UHFFFAOYSA-N 382.424 -0.410 30 20 GBED CC(C)(C)C#CC(=O)NC[C@@H](O)CNC(=O)C1(Cc2cnn[nH]2)CCOCC1 1575246826 PCGBCIPHHCHQIO-OAHLLOKOSA-N 391.472 -0.213 30 20 GBED N#Cc1cc(C(=O)NC[C@]2(O)CCN(c3ccc(-c4nn[nH]n4)nc3)C2)c[nH]1 1581866124 SMJGOCJMVZRTFO-QGZVFWFLSA-N 379.384 -0.167 30 20 GBED C#CCN1CCC(C(=O)NCCN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1588352112 UDBQHDVQNYQPCA-UHFFFAOYSA-N 384.444 -0.272 30 20 GBED C=C(C)C[C@H](NC(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O)C(=O)OCC 1588406554 WNCFRBZWEIRTBZ-JTQLQIEISA-N 377.361 -0.857 30 20 GBED C[C@H](NCC(=O)NCC#N)[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1589959134 UFXQCSZLZGLQSR-RYUDHWBXSA-N 385.432 -0.335 30 20 GBED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1590756786 BXOCPVRSSYTKAK-NSHDSACASA-N 399.415 -0.234 30 20 GBED C=CCN(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1=O 1602847086 IMBYIZXDOCXQKM-CQSZACIVSA-N 383.412 -0.272 30 20 GBED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1783907791 RJYBIFNALQOGCN-MJGOQNOKSA-N 379.457 -0.730 30 20 GBED CC(C)N1CCC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1784806719 GPSVUNGNGKILFO-KXBFYZLASA-N 377.441 -0.223 30 20 GBED CN(CC(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1)C(=O)C(=O)O 1785369807 RZHVLYUXDWHVDD-SFHVURJKSA-N 392.412 -0.947 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nonc4c3)[C@H]2C1 1787882332 IUHSHRXVJSCUIX-XEZPLFJOSA-N 398.375 -0.096 30 20 GBED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1)n1cnnn1 1789347513 ONCYEACABLDSLC-DSRCVFDASA-N 398.427 -0.273 30 20 GBED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)nn1C 1791079044 XIUUZJYYGLNPEY-OBJOEFQTSA-N 390.396 -0.890 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(C)(C)C)C2 1792485140 DLQAJYPQPWIRLN-GZHYHUHOSA-N 392.500 -0.178 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 1792584585 WETFTYAWOLGLCB-JGFGOLAASA-N 394.472 -0.097 30 20 GBED CN1CCN(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)CC1 1795443193 BFXMDDOGYMUDPT-ALXJQNPVSA-N 391.516 -0.237 30 20 GBED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cnnn2)cc1 1795859525 ILMHIVDYANHCKJ-ALXJQNPVSA-N 395.423 -0.357 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccc3[nH]ccc13)C2 1800775768 GCZHGBDPEUAAJA-DPIQGUFMSA-N 382.376 -0.146 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1829765127 HEAOCRDACRDEHJ-VOFKWLDRSA-N 390.440 -0.395 30 20 GBED Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)n1 1833083841 PZLQHJMQYUWLEP-LJQANCHMSA-N 387.440 -0.048 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCSC(=N)N)CCO2 1835647707 KQGXELRLLZBHTC-MRXNPFEDSA-N 383.474 -0.237 30 20 GBED COCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837442355 WKCYXCIPWDVRAF-CVNFFVDQSA-N 396.488 -0.049 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2 1837735579 SIEKOXLYOQCQPQ-APWZRJJASA-N 395.456 -0.993 30 20 GBED Cn1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)n1 1838731992 FLXWLMWAVXHTSP-GOSISDBHSA-N 399.411 -0.601 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2 1844158340 MVONTTJFVLOJHY-OMPOGXFXSA-N 392.412 -0.034 30 20 GBED N/C(=N/CCc1ccc(S(N)(=O)=O)cc1)N1CCN(c2ncccn2)CC1 262323170 QQOGYQVZWSWMTG-UHFFFAOYSA-N 389.485 -0.197 30 20 GBED CS(=O)(=O)N1CCN(CC(=O)N2CCN(c3ccccc3C#N)CC2)CC1 268283218 GSXCLVCAZQTVAM-UHFFFAOYSA-N 391.497 -0.216 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN2C(=O)NC(C)C)CC1 268406489 RPZIDVKIIPYXDB-INIZCTEOSA-N 377.489 -0.148 30 20 GBED COC(=O)C1(O)CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 271258767 KJHUFFZLPDLICV-LBPRGKRZSA-N 395.437 -0.248 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCC1(S(C)(=O)=O)CCC1)c1cc[nH]n1 280713578 HOYSBGBOYVFXEN-CPNJWEJPSA-N 386.430 -0.223 30 20 GBED CN(CC(=O)N1CCN2CCOC[C@@H]2C1)S(=O)(=O)c1ccc(C#N)cc1 329674333 OMMAXFJYLBDQEN-HNNXBMFYSA-N 378.454 -0.278 30 20 GBED Cc1nc(=NS(=O)(=O)CCCS(=O)(=O)N(C)CC(C)(C)C#N)n(C)[nH]1 349488638 FVGHBZBQYIQVNB-UHFFFAOYSA-N 392.507 -0.511 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 349581623 VZCUJHNDBMFNNA-WUHRBBMRSA-N 379.504 -0.059 30 20 GBED CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CC[C@H](O)C1 349587547 HBJRBAARMHUIBF-JSGCOSHPSA-N 379.504 -0.225 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 366754542 PYJRIDYLPBCRCO-NILFDRSVSA-N 392.437 -0.659 30 20 GBED COc1ccc(CN2CC[C@H](NS(=O)(=O)N3CCO[C@@H](C#N)C3)C2=O)cc1 410125373 ZIDCTNFPTFMDMO-HOTGVXAUSA-N 394.453 -0.145 30 20 GBED N#Cc1cc(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)ccc1F 415842906 AYLDHXBWRRBIKE-UHFFFAOYSA-N 395.416 -0.918 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCO[C@@H](CN)C3)C2=O)cc1 418899218 BQEAZEWMUZFOMN-JKSUJKDBSA-N 385.424 -0.644 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC(n4ccnn4)C3)n2)c(F)c1 441290975 ZZQMGUAMXUYGQX-UHFFFAOYSA-N 380.343 0.497 30 20 GBED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCO[C@@H](C#N)C2)CC1 475863935 FYVCVRDXAKSFDA-AWEZNQCLSA-N 397.457 -0.651 30 20 GBED C=CCNC(=O)CNC(=O)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 540756456 VSXRFYGEHGSOTO-LLVKDONJSA-N 397.457 -0.477 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)NCC(F)F)cc1 566486202 CUYVJCISWDLRPP-UHFFFAOYSA-N 396.397 -0.852 30 20 GBED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCCCNC2=O)c1 566487791 DSQTZVCXRVKXJD-ZDUSSCGKSA-N 386.455 -0.565 30 20 GBED CNC(=O)C[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 566690601 VWIVNJQIBZILOE-MNOVXSKESA-N 388.471 -0.320 30 20 GBED CCOC(=O)C[C@H](CO)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 590387299 QKJVZSOACNZPMB-CYBMUJFWSA-N 383.426 -0.078 30 20 GBED C[C@H](OC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N(C)CCC#N 736156798 XHFHHOFFZQVUMJ-NSHDSACASA-N 385.384 -0.100 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCSC[C@H]2CC(=O)OC)c1=O 740854751 GADKAVPMTOXHIY-CYBMUJFWSA-N 396.469 -0.518 30 20 GBED CCn1cc(C#N)c(=O)n(CCCN2C(=O)CS/C2=C\C(=O)OC)c1=O 748590504 ZKAPTRSMFMCJCS-QPEQYQDCSA-N 378.410 -0.119 30 20 GBED C[C@@H](CC(=O)OCc1nc(=O)n(C)[nH]1)/N=C1/NS(=O)(=O)c2ccccc21 765489703 VOEGAWDIEXKJBR-VIFPVBQESA-N 379.398 -0.331 30 20 GBED Cc1nc2ccccn2c1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771891003 QNZULVMTEBCGNG-UHFFFAOYSA-N 376.398 -0.647 30 20 GBED N#CCc1cccc(C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 778105263 HAIZVTCXUOFCMH-CYBMUJFWSA-N 379.394 -0.078 30 20 GBED COCCCS(=O)(=O)N1CCN(Cn2nc(CC#N)n(C)c2=S)CC1 794633807 NHJZZUUVVDZKPF-UHFFFAOYSA-N 388.519 -0.041 30 20 GBED C#CCC[C@@H](O)CNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 799078334 FFZOKLXVPMNVMJ-GXTWGEPZSA-N 379.438 -0.423 30 20 GBED C#CCC[C@@H](O)CNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 799082656 JJNMYGNGJVKXDW-GFCCVEGCSA-N 387.483 -0.447 30 20 GBED N#Cc1ncn(CCNC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)n1 805194604 JTQQXTWWMSAWPB-UHFFFAOYSA-N 395.367 -0.237 30 20 GBED C=CCC1(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 810985709 QWBNYHKLILEHOG-VXGBXAGGSA-N 390.483 -0.423 30 20 GBED COc1ccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1O 811645235 FAZINNXXLSMLQK-UHFFFAOYSA-N 382.398 -0.499 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)cc1 833364114 KAJNSMFOJPBHAC-AWEZNQCLSA-N 376.394 -0.253 30 20 GBED COc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(O)C2=O)cc1OC 848137911 KEGSFPARESHGFN-NSHDSACASA-N 387.414 -0.522 30 20 GBED COCCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 916870429 KCHHRCRJPJYRMR-GFCCVEGCSA-N 379.394 -0.307 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccnc2C(N)=O)C[C@@H]1O 964504632 YPGRCPITULODNL-FQLMCAECSA-N 388.424 -0.537 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(O)nnc(C)c2C)C1 1024978155 LGPUQCABEAHNAK-SYQHCUMBSA-N 376.413 -0.308 30 20 GBED C#CCOCCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1039719080 NILWPFOEZWWYSC-BVYOLEPJSA-N 380.441 -0.843 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1 1074603522 MWINYRIDBUIXMF-FPCVCCKLSA-N 393.484 -0.038 30 20 GBED COCC#CCN1CCN(C(=O)[C@@H]2CCN(C)[C@@H]2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1108474151 JOIMGBXYHJCOBA-WCXIOVBPSA-N 383.514 -0.714 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CCN(C(N)=O)CC1 1110078442 MDCZYNYLCFJKOS-UKMLZYKCSA-N 375.473 -0.364 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(C)(C)NC(=O)NCC 1111093742 HRBYBRYLBIKLTJ-YJNKXOJESA-N 377.489 -0.057 30 20 GBED C#CCSCCNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 1117412166 NGQCHQXQQJRWCU-UHFFFAOYSA-N 389.524 -0.066 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CCO1 1117490026 FTWBZHHNUSQUJA-GDBMZVCRSA-N 386.408 -0.467 30 20 GBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCc2cccc(OCC#N)c2)C1 1118150362 BNVSETSNLSTQHU-KGLIPLIRSA-N 375.381 -0.412 30 20 GBED C=CCn1c(CN2CCC[C@H](O)C2)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1121633993 NPZLTTNHGJDAOO-KKUMJFAQSA-N 376.461 -0.486 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC[C@H]3CC(N)=O)CC2)o1 1171250469 YVVGBQRSTZVIHL-CYBMUJFWSA-N 376.417 -0.921 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCCCOC)C[C@H]1O 1196803352 FQKWHGGGTGMOOB-LHHMISFZSA-N 383.489 -0.328 30 20 GBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 1220035044 HXJDUXYIGRGXEY-YRXWBPOGSA-N 385.464 -0.313 30 20 GBED C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C[C@H]1CO 1261770622 XPBZXEQHCRFYEE-KFWWJZLASA-N 386.456 -0.138 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2ccc(-n3ccnc3)nc2)CC1 1321465539 ACBBJDAELZOKNC-UHFFFAOYSA-N 394.435 -0.129 30 20 GBED CN1CCC(C#N)(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)CC1 1321666227 UKKMLHDKHWILSO-UHFFFAOYSA-N 387.425 -0.184 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)CC1 1322802606 NGAFVUVEEJZDEM-UHFFFAOYSA-N 377.445 -0.704 30 20 GBED C#CCOCCNC(=O)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 1324831331 SUJLMEFNOYVIEB-UHFFFAOYSA-N 385.417 -0.672 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@@H]2CCOC[C@@H]2OCCOC)n1 1325213597 MGSUTIBOQRVWLG-SJORKVTESA-N 392.456 -0.199 30 20 GBED C#CCOCCNC(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 1328846519 WLWSNYKMDFSIOQ-UHFFFAOYSA-N 381.401 -0.867 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC2(CCOCC2)O1 1332035826 AXDLHVSCTIDWHI-ZBFHGGJFSA-N 376.457 -0.018 30 20 GBED N#Cc1ccc(CCNC(=O)C(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1 1350172011 OWZPPULVIJILIH-UHFFFAOYSA-N 399.451 -0.187 30 20 GBED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)N(C)C 1360240819 QLPFWPGIOUXJQN-CQSZACIVSA-N 388.476 -0.319 30 20 GBED C#Cc1cccc(NC(=O)NC(=O)CN2CCS(=O)(=O)C[C@@H]2CC(=O)O)c1 1573313527 KGJXAJRZGNPGIP-AWEZNQCLSA-N 393.421 -0.110 30 20 GBED C[C@H](C#N)C(=O)N(C)CCN1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1573562117 QVYHBSPPIPSLHX-GFCCVEGCSA-N 385.432 -0.429 30 20 GBED C#C[C@]1(C)CCCN1c1nnc([C@@H]2COCCN2)n1CCS(=O)(=O)N(C)C 1574759684 NNRDHCIQNIBDSW-WMLDXEAASA-N 396.517 -0.178 30 20 GBED C#CCOCCC(=O)N1C[C@H]2CN([C@H](C)C(=O)NCc3cnn[nH]3)C[C@@]2(C)C1 1575012615 DROPJBYYRXIZKV-CLCXKQKWSA-N 388.472 -0.370 30 20 GBED CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)CSCC#N 1579860876 XCGJTABFYAIFBC-NXEZZACHSA-N 375.418 -0.767 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@H]2O)cn1 1588369992 GVXTWDDOMQHPLA-HUUCEWRRSA-N 394.370 -0.243 30 20 GBED C=CCn1cc(C(=O)NC[C@@H]2CCN(c3nccnc3-c3nn[nH]n3)C2)nn1 1588713876 XELGVSJSSQSNAV-NSHDSACASA-N 381.404 -0.310 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](O)CNc1nc(C)cc(-c2nn[nH]n2)n1 1602770060 SRVATCDFKVLHIJ-OBJOEFQTSA-N 388.432 -0.165 30 20 GBED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccn2)c(=O)n1CCCC(=O)O 1608170273 LUTQPKZJBAXKMZ-UHFFFAOYSA-N 398.444 -0.049 30 20 GBED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(O)CCN(C)C1 1706625912 YMEUGEHSZVGBOE-SUMWQHHRSA-N 377.449 -0.788 30 20 GBED CC(=O)N(CC(=O)O)C[C@@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)CCO1 1776202096 ZIKVUAJMCZKQPL-CQSZACIVSA-N 388.446 -0.899 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783164730 CJULCJZTMDTZNW-HBUWYVDXSA-N 380.445 -0.247 30 20 GBED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786892471 DLZPMQMHYMJRDS-YXMSTPNBSA-N 380.489 -0.229 30 20 GBED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1800490801 BPZUBCLRNQBALJ-ZHZXCYKASA-N 378.429 -0.614 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cc(O)n[nH]2)[C@@H]1c1cccnc1 1807290531 WLBHMMYYTQKDNU-PXAZEXFGSA-N 383.364 -0.082 30 20 GBED CN(CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC#N)CC2)C(=O)C(=O)O 1824670046 NBJAJFOVOFTFJZ-MRVPVSSYSA-N 379.398 -0.488 30 20 GBED CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC#N)CCO2 1835354386 SRVQFOQKFVOGBD-QWNKOJSDSA-N 379.413 -0.134 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)OC)C2)C1 1839176341 IYBGCDULYTXPMC-DNVCBOLYSA-N 398.456 -0.013 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841847894 UDZDJRYVVKGINF-GFCCVEGCSA-N 378.429 -0.685 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)OC)cc1 25022442 IOIHTABFWLVKQR-CQSZACIVSA-N 395.437 -0.345 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)Cn2c(=O)cnc3ccccc32)CC1 264912522 NRIBNLBAXQVLGD-UHFFFAOYSA-N 381.436 -0.320 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCC(=O)N1CCOCC1 268156790 PPAVKYBIPXKHOS-CQSZACIVSA-N 387.444 -0.183 30 20 GBED CC(C)(C(N)=O)N1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 271701562 LPEIAYPLVKCORL-UHFFFAOYSA-N 389.460 -0.144 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CCOCC1 273106574 WRUITAIUSUVUHO-UHFFFAOYSA-N 376.413 -0.030 30 20 GBED Cn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 274644489 RDIQBPLBQUOTMW-LLVKDONJSA-N 379.417 -0.314 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)c1cc[nH]n1 286004129 SFRLNNQPBAIEQV-DTBSXUHTSA-N 384.433 -0.032 30 20 GBED COCCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCOC1 349481129 MFMGWSMCUYGXEE-UHFFFAOYSA-N 389.455 -0.174 30 20 GBED N#CC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nc3n(n2)CCCC3)C1 349495801 FVEZZCOEFDJEKW-UHFFFAOYSA-N 388.475 -0.469 30 20 GBED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1 411646233 VMTXZJQREDCJSR-UHFFFAOYSA-N 387.396 -0.560 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1C 477026310 QPGRPBJPUFTTJY-UHFFFAOYSA-N 379.463 -0.217 30 20 GBED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2c(C)cnn2C)c1=O 505700376 OROSHHXESJHONI-UHFFFAOYSA-N 389.481 -0.373 30 20 GBED CS[C@H](CO)[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 565229816 OEGPFYPEFIHLBJ-GXFFZTMASA-N 393.512 -0.121 30 20 GBED C[C@H]1[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)CC[S@@]1=O 568646514 HWHGKFOLFLVYKS-DMDKVIGKSA-N 399.560 -0.231 30 20 GBED C[C@H]1OCC[C@]1(O)CNS(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 570985550 JBYDTRDXHQJMMP-RISCZKNCSA-N 389.455 -0.693 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](N2CC=CC2)C1 576241310 WQXUGNJQXXEUBC-AWEZNQCLSA-N 390.531 -0.126 30 20 GBED COC(=O)[C@@](C)(CO)NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 595531910 LYIBYTVQMKGMEA-SUMWQHHRSA-N 380.470 -0.029 30 20 GBED CNS(=O)(=O)CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 600664889 BCIVEAYUFVZIQL-LLVKDONJSA-N 388.471 -0.719 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCCN(C)S(C)(=O)=O)cc1 618585247 FVUITAJTJAGNBR-UHFFFAOYSA-N 396.469 -0.061 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)NC2CCC3(CC2)OCCO3)CC1 728570681 KMFJIZSCTAUERM-UHFFFAOYSA-N 378.473 -0.845 30 20 GBED CCCCNC(=O)CN1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 746099388 QRINIIDTNRPJDO-HNENSFHCSA-N 391.472 -0.037 30 20 GBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NC1(C#N)CCC1 784230751 QUUGOSWNRUBQMD-NSHDSACASA-N 397.457 -0.191 30 20 GBED C#CCN1CCN(C(=O)CN2CCN(c3ccccc3-c3nn[nH]n3)CC2)CC1 819701765 MEUXAJKSDWHUSF-UHFFFAOYSA-N 394.483 -0.234 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1 831556836 VVSKJJVCEOIZBZ-QWRGUYRKSA-N 396.391 -0.945 30 20 GBED C=CCCn1cc(COC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)nn1 848748524 HBYJITRDDSADMC-UHFFFAOYSA-N 383.386 -0.432 30 20 GBED CCNS(=O)(=O)c1ccc(CN/C(=N/C)NCCN2CCOCC2)cc1 849091518 MGYNNOFJNYKHOT-UHFFFAOYSA-N 383.518 -0.018 30 20 GBED C#CC[C@H](CCOC)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 863790519 KGJHEZCYPKWMFX-OAHLLOKOSA-N 393.465 -0.035 30 20 GBED CN(C)C(=O)CN1CCN(C(=O)COC(=O)CNc2ccc(C#N)cc2)CC1 919627759 GMUNWAPOSDEBTG-UHFFFAOYSA-N 387.440 -0.254 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccc(C(N)=O)cc2)C[C@H]1O 1025712200 IGGFNZVJZZFUIC-VQHPVUNQSA-N 387.436 -0.393 30 20 GBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CNC(=O)Cn2cncn2)cn1 1092847517 RTHBSOCAKPRLPV-KBMXLJTQSA-N 380.412 -0.413 30 20 GBED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 1093056183 MSPLGZBUFWPUEK-ASEORRQLSA-N 378.458 -0.098 30 20 GBED C=CCN(CC=C)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1CS(=O)(=O)C1 1110592058 MJSNSGDWOYLMJF-OAGGEKHMSA-N 381.498 -0.047 30 20 GBED COCCOCCCNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1116979623 OXZABKDENDOTKI-AWEZNQCLSA-N 390.444 -0.445 30 20 GBED C=CCn1c(C2=NNC(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1262970051 YOBAJCMDOMYPGH-UHFFFAOYSA-N 386.460 -0.568 30 20 GBED C=C(C)Cn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1C[C@H](OC)[C@H](OC)C1 1263337940 ANWFPTYYUDRZAS-OKILXGFUSA-N 390.444 -0.231 30 20 GBED CC[C@H](NC(=O)C(=O)NCc1cccc(OCC#N)c1)C(=O)N1CCOCC1 1323494423 KOPKBVBSSBLEDE-INIZCTEOSA-N 388.424 -0.041 30 20 GBED CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 1325098197 VHANCLKGVXVADD-HNNXBMFYSA-N 392.437 -0.702 30 20 GBED CS(=O)(=O)N1CCC(NC(=O)C(=O)NCc2cccc(OCC#N)c2)CC1 1326628203 QWDHPKUOVOPJEB-UHFFFAOYSA-N 394.453 -0.255 30 20 GBED COCCN(CCN(C)C)C(=O)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1329690440 NVWPUVSCNUKDBA-UHFFFAOYSA-N 388.472 -0.362 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 1334708992 IOFLNEPEOXWAMR-KKUMJFAQSA-N 379.490 -0.301 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2C2Cc3ccccc3C2)CC1 1335944737 OPMMUGXFEDHAPG-UHFFFAOYSA-N 387.469 -0.397 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2ccc([S@](C)=O)cc2)c(=O)n(C)c1=O 1340766950 VHZMHJNMFLHOOP-DEOSSOPVSA-N 384.439 -0.866 30 20 GBED Cc1ccc([C@@H](CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)N2CCOCC2)o1 1345825564 HUKYSTXHXCFSNK-DNVCBOLYSA-N 390.440 -0.045 30 20 GBED CN(CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C(=O)c1cccs1 1515066772 MIFSWMUUOXBFHU-NSHDSACASA-N 383.451 -0.214 30 20 GBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588353412 QSPRRTINWWOCCP-UPJWGTAASA-N 382.428 -0.379 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@]1(CO)CCCN(c2cnc(-c3nn[nH]n3)cn2)C1 1588355709 LNCVVIGQOBGTDU-YVEFUNNKSA-N 386.416 -0.858 30 20 GBED CC[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[C@H]1NCC(=O)NCC#N 1590521869 SODSZFFLVOFCPY-VXGBXAGGSA-N 385.432 -0.335 30 20 GBED Cn1cc([C@@H]2C[C@@H](C(=O)O)CN(S(=O)(=O)N3CCO[C@@H](C#N)C3)C2)cn1 1594533602 BCSUJEWGXXKUBC-BZPMIXESSA-N 383.430 -0.621 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)c(C)n1 1602721220 AVOUBFPXCIWCLM-HIFRSBDPSA-N 384.444 -0.443 30 20 GBED C=CCCOCC(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 1602843975 DNYDUUDWMXVFEH-QGZVFWFLSA-N 388.432 -0.039 30 20 GBED CC(C)C#CC(=O)NCCCN1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 1603189903 SHBITSBHFGRGEW-UHFFFAOYSA-N 383.460 -0.056 30 20 GBED C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)n1 1609022063 SXLILIMIICEKPG-GFCCVEGCSA-N 384.404 -0.476 30 20 GBED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCOCC1 1692543262 IRGSKQGSLPMUDO-ZDUSSCGKSA-N 378.433 -0.313 30 20 GBED C[C@@H](CN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1786783594 OHLUMNDHCAZXKR-VGWMRTNUSA-N 379.505 -0.157 30 20 GBED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4cccnn34)[C@H]2C1 1789197733 YSDPHHKFAGTWFZ-YDHLFZDLSA-N 396.407 -0.404 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOC1=O 1793165150 GRELSTUGMIZBIU-HGTKMLMNSA-N 396.444 -0.171 30 20 GBED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O 1795521707 GROUJLXHGXDNDR-GUIRCDHDSA-N 389.389 -0.487 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2 1799394863 YKRCKDKINIRKIF-OHTBPHCPSA-N 379.417 -0.747 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnc3[nH]1)C2 1800777240 MDEPUKRHZXDRAU-FVCICTRLSA-N 382.376 -0.146 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812879590 CCTRZDDGKFLLHB-MUKKUYKPSA-N 398.419 -0.134 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CCO2 1830303149 JASRJLIAEAQQEF-IFXJQAMLSA-N 395.456 -0.011 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)C(C)C)CCO2 1830858761 BCINLFGVKCGCQZ-GPMSIDNRSA-N 382.457 -0.502 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1834761112 WPZUYBAZIBTZAW-SFHVURJKSA-N 384.396 -0.287 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1836476594 DJWWGEAKRCACNJ-GJYPPUQNSA-N 379.457 -0.438 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1841600492 DDVPBOAUEHNORA-CQSZACIVSA-N 399.451 -0.128 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2C(=O)CNC2=O)c1 1848034060 HFAKRIHWJTUCBO-GJZGRUSLSA-N 381.392 -0.075 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N(CC(=O)OC)CC(=O)OC)c1 68360109 VERFWOVREIADDC-UHFFFAOYSA-N 382.394 -0.614 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(OCCOC)nc2)C1=O 116310106 KRACKYXELGGUHW-UHFFFAOYSA-N 376.369 -0.300 30 20 GBED Cn1cc(C(=O)NCC2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cn1 263677473 HKVIGGRBLUVSCD-UHFFFAOYSA-N 385.428 -0.664 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN2C(=O)NC[C@H]2C1 268907561 SDNJOQJOPOZWLQ-AAEUAGOBSA-N 377.426 -0.539 30 20 GBED C#CCSCCNS(=O)(=O)CCCS(=O)(=O)NCCSCC#C 282190878 NWUATADRUXEWPD-UHFFFAOYSA-N 398.597 -0.052 30 20 GBED Cc1nsc(N2CCN(C(=O)c3cn(CC(=O)N(C)C)nn3)CC2)c1C#N 291230370 WVDZXIXHYOSAHD-UHFFFAOYSA-N 388.457 -0.035 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NN1C(=O)N[C@](C)(CC)C1=O)c1cc[nH]n1 292658314 ARDZMAMDMQEVTP-PZUDMAOCSA-N 380.361 -0.555 30 20 GBED C#CCN(C)CCCNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 293524296 ZHHBMSXKMCEMKO-UHFFFAOYSA-N 376.461 -0.775 30 20 GBED COC[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C[C@H](C)O1 298186729 VWHDFSRUDJKIOD-HOCLYGCPSA-N 387.440 -0.136 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](O)COc2cccc(C)c2)C1=O 299470428 BSTBOCFOMHEPIY-ZDUSSCGKSA-N 375.381 -0.172 30 20 GBED CN1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cccc(C#N)n2)CC1=O 349453858 FWNFQZPGSQFMHM-UHFFFAOYSA-N 387.443 -0.854 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)n1 378424933 SDCFWDHGPFMZKP-GJZGRUSLSA-N 388.472 0.506 30 20 GBED N#CCC[C@@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1)c1ccccc1 424488933 NWIGBXIAMPHFNM-KGLIPLIRSA-N 393.421 -0.142 30 20 GBED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424514476 ZSCTWGRQSXCGNN-ZDUSSCGKSA-N 379.394 -0.773 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O 425826597 PHVMPIHBIBSBSI-LBPRGKRZSA-N 388.380 -0.214 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C)nn2-c2cc(NC)ncn2)C1=O 439289781 PFWXNWQPSSMYJO-UHFFFAOYSA-N 398.383 -0.072 30 20 GBED CCS(=O)(=O)C1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 456284332 CWLOYVQMUCNJRG-NSHDSACASA-N 385.467 -0.129 30 20 GBED COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccc(C#N)cc1F 480709213 ACRPONLAFHRMOU-CYBMUJFWSA-N 390.414 -0.201 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccccc2OCCO)C1=O 506148760 MQINNSGHJOANEN-HNNXBMFYSA-N 375.425 -0.081 30 20 GBED N#CCNC(=O)CNC(=O)c1sccc1S(=O)(=O)N1CCSCC1 553427755 DLWFAQBJXWGJOQ-UHFFFAOYSA-N 388.496 -0.145 30 20 GBED C[C@H](C[S@@](C)=O)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 579517516 XKKZCRUAGMLWTJ-YFXXDRJJSA-N 390.465 -0.341 30 20 GBED CC#CC[C@@H](CO)NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 591933792 PUGZUZCFBSXPKH-LBPRGKRZSA-N 384.414 -0.053 30 20 GBED CC[C@@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 594631152 VOQQUVKDPJTWLH-GFCCVEGCSA-N 386.455 -0.226 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)cc1 617872893 RSCNLCGTWUWRNN-ZIAGYGMSSA-N 388.467 -0.307 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)CC1 746215784 PYFPISMZFPNSCI-UHFFFAOYSA-N 392.481 -0.542 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CN2CCN1CC2 746907416 YSVMEXOXLNYKAS-CYBMUJFWSA-N 377.470 -0.769 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 761031283 PSUOSYNHQLTMOM-ZDUSSCGKSA-N 393.469 -0.802 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H]3CN(C)CC[C@H]32)c1=O 768503917 UDRPORCBXRNWAR-HZPDHXFCSA-N 375.473 -0.083 30 20 GBED CC[C@](C)(C#N)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 795346244 ORJPYAGJDLJOGR-TZMCWYRMSA-N 377.488 -0.413 30 20 GBED COc1ccc(CNC(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1C#N 807212603 HKITZDZIUAWINE-HNNXBMFYSA-N 396.407 -0.162 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)[C@H]1CCCO1 809308396 KXTZRJTWUXBHID-DLBZAZTESA-N 390.484 -0.560 30 20 GBED C[C@@]1(c2cccc(C(=O)Nc3nc(C#N)c(-c4nn[nH]n4)[nH]3)c2)NC(=O)NC1=O 820636505 SLZWODVTMLGGAG-INIZCTEOSA-N 392.339 -0.232 30 20 GBED C#CCN1CCN(C(=O)CN2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)CC1 839673308 VOYAKSBILHAGQO-OAHLLOKOSA-N 399.513 -0.796 30 20 GBED CN1CCN(S(=O)(=O)c2cccc(NC(=O)N[C@H]3CNC[C@H]3C#N)c2)CC1 841080958 RULACZCILPMHTM-CJNGLKHVSA-N 392.485 -0.144 30 20 GBED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)N3CC[C@H](N4CCOC4=O)C3)C2)nc1 850693424 YGNGXISGFJWLIP-GJZGRUSLSA-N 399.407 -0.014 30 20 GBED CC(C)NS(=O)(=O)N1CCN(C(=O)NCCNc2ccc(C#N)cn2)CC1 853383978 KQMDWGFGNCSUBB-UHFFFAOYSA-N 395.489 -0.065 30 20 GBED C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 914667366 ACBXVQDSSKFOHJ-GFCCVEGCSA-N 395.437 -0.345 30 20 GBED C[C@@H]1CN(C)C[C@H](C(=O)N2CCO[C@@H]3CN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)O1 960570723 WXOOCLQNENGSES-VJUNAUMWSA-N 387.440 -0.343 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(CC(N)=O)nn1 1000562533 CDOLORYMERBESL-MUGBGTHKSA-N 388.428 -0.784 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(=O)N2CCC(C)CC2)C1 1023754899 VIPOCJPQOVMPBN-HZMVEIRTSA-N 393.484 -0.086 30 20 GBED CC#CCN1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094663577 UHZXDEQZKPXTFX-VVLHAWIVSA-N 376.482 -0.143 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cccc(-n2cnnn2)c1 1111381516 UOTPBSUCXGEIFJ-OIISXLGYSA-N 379.424 -0.253 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 1117606016 LQNRJYSABVUGFH-HZPDHXFCSA-N 388.424 -0.318 30 20 GBED CC(C)N1CCC(N2CCN(C(=O)C(=O)N3CCO[C@@H](C#N)C3)CC2)CC1 1117921211 NZVBHAOZSJKIKM-KRWDZBQOSA-N 377.489 -0.246 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 1251811119 WGEYKXQGPNWBQZ-UHFFFAOYSA-N 389.456 -0.962 30 20 GBED O=C(CNS(=O)(=O)c1cccs1)NCCN/C(O)=C1\N=CC=CC1=O 1318464310 UTCDJERMWCRKBD-BUHFOSPRSA-N 384.439 -0.331 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)nn1 1325927145 YCQVSBYFZLOBAJ-QGZVFWFLSA-N 394.501 -0.596 30 20 GBED Cc1cc(C(=O)NC2CCN(C(=O)C(=O)N3CC[C@@](O)(CC#N)C3)CC2)no1 1326247363 BRAQXIXVKDYUTK-SFHVURJKSA-N 389.412 -0.419 30 20 GBED CO[C@@H](CNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C1CCCC1 1328365763 YAZIEEUYQGKGFP-DQHOPXMZSA-N 378.429 -0.050 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCN1CC[C@H](O)C1 1329146793 NTLJBVCNIXQCSE-AWEZNQCLSA-N 383.412 -0.431 30 20 GBED CNC(=O)c1ccc(CS(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 1347057199 RJYVTEPSAPIYSU-BMRADRMJSA-N 392.437 -0.008 30 20 GBED C#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 1347931850 ILYLAPHTJKRHPU-UHFFFAOYSA-N 384.436 -0.391 30 20 GBED CN(CCNS(C)(=O)=O)C(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1348388873 OVZGBBXTOYBQSA-UHFFFAOYSA-N 380.426 -0.845 30 20 GBED C=CCOCC(=O)N[C@H](C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1573343599 QWGHKDPIGHEJLT-RISCZKNCSA-N 389.416 -0.257 30 20 GBED C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)CN 1574486279 MBENVQGQSGDEQH-IHRRRGAJSA-N 384.506 -0.336 30 20 GBED C[C@@H](OCc1cnn[nH]1)C(=O)N1CCCC[C@H]1CCNCC(=O)NCC#N 1575823285 OSTZOKWQDSOJKG-HIFRSBDPSA-N 377.449 -0.290 30 20 GBED C=C[C@](C)(O)CC(=O)NC1(CO)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 1588503022 WGNZXQBPRHZZQE-INIZCTEOSA-N 388.432 -0.569 30 20 GBED CN1CCn2nc(C(=O)Nc3ccc(-c4nn[nH]n4)c(C#N)c3)cc2S1(=O)=O 1591195411 IBMFFQAHPHFBLF-UHFFFAOYSA-N 399.396 -0.179 30 20 GBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1)c1cc(-c2nn[nH]n2)c[nH]1 1593044675 PUNWGBTXJYUKHE-CQSZACIVSA-N 383.412 -0.045 30 20 GBED C#Cc1cncc(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[nH]n4)nn3)C2)c1 1602743342 VMSQLBPYYPBSDO-CQSZACIVSA-N 391.395 -0.014 30 20 GBED CN(C)C(=O)Cn1cnc(NC(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)n1 1604668527 SZXDSPBBHKJMCA-ZDUSSCGKSA-N 394.399 -0.133 30 20 GBED CN(CCOCCNC(=O)c1c[nH]c(C#N)c1)c1nccnc1-c1nn[nH]n1 1604781684 USPSTCVUDPWSNW-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCOC2)CCO1 1712882601 DSOLEWYCDBEPNQ-UGSOOPFHSA-N 399.411 -0.194 30 20 GBED N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCOC2)CCO1 1770752526 WOMVTODDMLWKCI-SUMWQHHRSA-N 376.417 -0.719 30 20 GBED Cn1ncc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1Cl 1779863857 WMOYUKJZYMCCAZ-INIZCTEOSA-N 380.788 -0.395 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccn(C(F)F)n1)CCO2 1783567414 ZXUHTWYNOSKJNS-MRXNPFEDSA-N 382.323 -0.190 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCO1)C2 1792490021 FHFJEVPVHKHHLN-KUQZVKFASA-N 377.441 -0.387 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1ccnn1)C2 1793346541 FJGUMZGARKWPNQ-PNBKFKSVSA-N 375.429 -0.704 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCC(=O)NC3)CCO2)C1 1829944196 AVPHENRZWISOQJ-IFXJQAMLSA-N 392.456 -0.481 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1830592536 RNYGWRBZEZCLMN-IFXJQAMLSA-N 378.425 -0.540 30 20 GBED Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1O 1831209638 QQCWIZVPLRQLAG-LJQANCHMSA-N 388.424 -0.391 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1832451671 JIGLTVQAMQJPFD-KBXCAEBGSA-N 397.497 -0.359 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1832454316 HDPDCIXYKYQGKT-KRWDZBQOSA-N 395.485 -0.196 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1832462641 RSZGTASUWYQRPZ-GOSISDBHSA-N 383.514 -0.076 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836205757 GTRBEMXZVLFDFN-RDJZCZTQSA-N 397.501 -0.311 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1836347111 BGDNZBKKHOXFTQ-INIZCTEOSA-N 381.458 -0.206 30 20 GBED Cc1cc[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040929 FZSVPPGFUNLSTC-GOSISDBHSA-N 375.381 -0.519 30 20 GBED Cc1ccn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)n1 1840158208 IVIYQYHNMZMDDS-RHSMWYFYSA-N 382.486 -0.034 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1840159866 PQOREWUJUDYLSS-DHSIGJKJSA-N 394.497 -0.144 30 20 GBED CN1N=C(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCC1=O 16260102 SXUGTOBWQNTKKO-UHFFFAOYSA-N 389.437 -0.001 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(C[C@H]3CCOC3)CC2)C1=O 265460655 BNXYPODBVWKSPI-CYBMUJFWSA-N 378.429 -0.420 30 20 GBED N#CC1(CS(=O)(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 274242510 USEPNEAEGYAIKZ-UHFFFAOYSA-N 378.458 -0.262 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)NCCN3CCNC(=O)C3)C2=O)cc1 277272356 RSIPLFTYAZBVBD-INIZCTEOSA-N 384.440 -0.610 30 20 GBED CNC(=O)CSCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 281668593 PIUDBICCXXUNQW-UHFFFAOYSA-N 396.494 -0.130 30 20 GBED C#CC[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)[C@H]1CCS(=O)(=O)C1 290841379 IHLNKMGMJFXMSO-CVEARBPZSA-N 398.506 -0.156 30 20 GBED C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)N(C)C1(C#N)CCC1 349456336 DMBMFAGRVPLSKT-OLZOCXBDSA-N 379.504 -0.131 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H]1CCN(C)C1=O 349476616 HRYRPWYOYDBQAI-NWDGAFQWSA-N 380.492 -0.958 30 20 GBED CN1CCCN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)C2CC2)CC1 349534917 HRYKPPGWXGZBEZ-UHFFFAOYSA-N 378.520 -0.338 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 366125454 NSMGOPDHNVNGNM-CYBMUJFWSA-N 379.504 -0.203 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CCO1 409540941 LJDARKWDEYLLSV-MRXNPFEDSA-N 393.469 -0.288 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 409561019 FOSOXYXYQKOPOV-ZDUSSCGKSA-N 387.487 -0.276 30 20 GBED N#Cc1cccc(F)c1CC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 505198654 XJGJLICKSXEXNG-UHFFFAOYSA-N 396.444 -0.039 30 20 GBED Cc1cc(NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)n(CCC#N)n1 532995243 FDRUTQNTXYYNOH-CYBMUJFWSA-N 396.473 -0.028 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCc3nc(COC)nn3C2)C1=O 566704306 OVMFGUPPWFANMI-CHWSQXEVSA-N 390.444 -0.899 30 20 GBED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC(O)(CO)CC2)n1 595156087 KGUIGJBFAXSXTL-UHFFFAOYSA-N 387.371 0.167 30 20 GBED CN1CCC(N2CCC(NC(=O)C(=O)N3CCN(CCC#N)CC3)CC2)CC1 602242829 UEMQLKPTKRTZNU-UHFFFAOYSA-N 390.532 -0.281 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)CC1 729533349 GIXHTOWRPNJLMU-OAQYLSRUSA-N 397.523 -0.131 30 20 GBED C#CCNC(=O)CN1CCN([C@H](C(=O)OC)c2ccc(-c3nn[nH]n3)cc2)CC1 735382322 YLLRLWOGIOHSJO-KRWDZBQOSA-N 397.439 -0.552 30 20 GBED C[C@@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)N(C)CCC#N 760956159 ZVVKHUQHWAABEZ-LLVKDONJSA-N 390.400 -0.872 30 20 GBED Cc1ccc(F)c2c1NC(=O)C2=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771892049 WWJXFYQQNAVHRP-UHFFFAOYSA-N 395.372 -0.834 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCCN2C(=O)COc3ccccc32)C1=O 778793331 SAXMZWCGSZFVFG-UHFFFAOYSA-N 387.348 -0.068 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)OCCc2cn(CC(=O)O)nn2)c1 825625710 LYCDSZPQRPZSHQ-UHFFFAOYSA-N 392.393 -0.326 30 20 GBED C#CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OC 839799347 KAPQCAJDNJBXCC-CYBMUJFWSA-N 396.421 -0.193 30 20 GBED C#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc(C)c(=O)n(C)c1 848961660 IPSICODTNLIGNP-UHFFFAOYSA-N 375.472 -0.280 30 20 GBED C#CCN1CCC(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)CC1 968389377 FZQPHMONKGLPKB-AHCXZYCDSA-N 385.468 -0.454 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ncc(OC)cn2)C1 969255124 LPOCAIGTNPKCQD-XGUBFFRZSA-N 376.413 -0.232 30 20 GBED C[C@@H]1[C@H](C(=O)N2CCN(C(=O)C#CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)CCN1C 995444953 GPSLUKIALPIDCX-DZUCGIPZSA-N 393.509 -0.424 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3c(c2)nnn3C)C1 1024496349 OXJAAQMECXYZGF-WNOSKKOXSA-N 385.424 -0.139 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccnc2c1nnn2C 1110947239 FAKODFHAXJHSNB-GBOPCIDUSA-N 381.440 -0.164 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1111019552 CMHDKPOBOXVVGO-LJIZCISZSA-N 376.457 -0.907 30 20 GBED Cc1cc(N2CC[C@@H](NC(=O)C(=O)Nc3ccn(CCC#N)n3)C2=O)n(C)n1 1116236695 GUCVLLGNAZAXBD-GFCCVEGCSA-N 384.400 -0.301 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2n[nH]cc2Br)CC1 1117311186 FWJYRITYOYLZJF-UHFFFAOYSA-N 396.245 -0.224 30 20 GBED C[C@@H](O)CN(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1117827708 MIAVWFDQBJIUOL-CYBMUJFWSA-N 394.453 -0.770 30 20 GBED Cn1c(=O)[nH]c(NCC2CCN(S(=O)(=O)C(F)F)CC2)c(C#N)c1=O 1185394761 NDLOQZOFOXMFAX-UHFFFAOYSA-N 377.373 -0.378 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)[C@H](C)C1 1208636983 AZWYCUGEMNZLQO-XJFOESAGSA-N 379.461 -0.841 30 20 GBED CC(C)OC[C@@H](CO)N(C)C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1261353797 FIEBJPPCDXRZRW-MRXNPFEDSA-N 389.456 -0.154 30 20 GBED COCCN1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1=O 1261865256 YPIZKIQUSBINND-UHFFFAOYSA-N 399.451 -0.476 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)NCC2(C(N)=O)CCOCC2)cc1 1317880188 IAHKFOOZFOWTBM-UHFFFAOYSA-N 379.438 -0.129 30 20 GBED CCN(C[C@H](C)C#N)C(=O)Cn1cnc2c(c(S(C)(=O)=O)nn2C)c1=O 1321036349 WIOJUNCAIJQUHW-SNVBAGLBSA-N 380.430 -0.458 30 20 GBED COC(=O)[C@]1(C)CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1324578797 UXAHBZUTDZBQLB-GZKZCVOOSA-N 378.385 -0.959 30 20 GBED C#C[C@H](NC(=O)C(=O)NCC1(NS(C)(=O)=O)CCCCC1)[C@H]1CCCO1 1325452733 QDHZDSUGZQPUCN-UONOGXRCSA-N 385.486 -0.348 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(C[S@@](C)=O)c2)CC1 1332507842 NQXWOTWBHXDKIX-XMMPIXPASA-N 383.495 -0.210 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCc2cccc(NC(=O)COC)c2)nn1 1349027167 PLGFIQNXTCTMBW-UHFFFAOYSA-N 386.412 -0.018 30 20 GBED C=CCCO[C@H](C)C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573336694 QHPJKQQNIJAPRT-LLVKDONJSA-N 389.416 -0.521 30 20 GBED C[C@@H](C#N)C(=O)N1CCN(C2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)CC1 1573569545 AWPHRUJSVPBKIP-NSHDSACASA-N 383.416 -0.677 30 20 GBED CCO[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1CNCC#CCOC 1590820689 BFHJIJHWRRCJCT-GDBMZVCRSA-N 387.444 -0.089 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(-c3nn[nH]n3)n2)C1 1592670618 IECMJTLTVHHWDT-MRXNPFEDSA-N 396.346 -0.150 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](O)CN=c1cc(C)[nH]cc1-c1nn[nH]n1 1602883704 GQJCDMBXVBSAOS-ZENOOKHLSA-N 387.444 -0.186 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]21 1602885841 ISSMFUNDOGZGKU-XWKQNIGYSA-N 383.412 -0.028 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)C1 1639946969 ZIAFQXYKWLRRGH-KBXCAEBGSA-N 376.388 -0.395 30 20 GBED Cc1cc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)ncc1C#N 1642362662 MMUSTSBMPOVPFY-AWEZNQCLSA-N 384.483 -0.099 30 20 GBED CC(C)(C#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NNC(=O)C2)C1 1779306262 RFJDRWYCZVEBDN-FZKQIMNGSA-N 375.429 -0.074 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782282182 NACNBNXALADLTB-GOSISDBHSA-N 388.380 -0.803 30 20 GBED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1783680913 QMGJUBMZWHYXHF-CYDGBPFRSA-N 391.428 -0.886 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)c1 1784118291 RZEHWUFKEUYSCL-IBGZPJMESA-N 397.391 -0.745 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788640817 YMIVDKZZBZFRCN-YHUYYLMFSA-N 380.397 -0.906 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C[C@H]2NC(=O)NC2=O)c1 1794208620 LLQFXOBNRIRPJY-GFQSEFKGSA-N 384.396 -0.264 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnn1C 1794781294 QVXKJJSIJXNNJG-OLDVJPBNSA-N 387.440 -0.518 30 20 GBED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795581212 AAWYGKVWYWYWDB-JLVBRIDZSA-N 375.473 -0.390 30 20 GBED COC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1801202664 VOLXSBDTAPLFNO-AGGWBTHJSA-N 395.460 -0.786 30 20 GBED N#CCC(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1806280329 XHTNBPLKCCGJIU-BBRMVZONSA-N 395.356 -0.274 30 20 GBED C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1831614247 GWGAQCUWMISAIC-AUUYWEPGSA-N 392.456 -0.352 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ncccn4)CCO3)C2)CC1 1833163320 RHKRFGUICOCHFV-LJQANCHMSA-N 385.424 -0.221 30 20 GBED COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1833503973 QBZRSLSJFUFSTL-QGZVFWFLSA-N 375.385 -0.531 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834242294 XJCMAASDEIHWQN-DNVCBOLYSA-N 390.440 -0.472 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1834760431 MKYZDYUPPWBPAH-KRWDZBQOSA-N 385.384 -0.892 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837759357 AVPMTGBGYAWMNC-IBGZPJMESA-N 388.424 -0.372 30 20 GBED Cc1n[nH]c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1837808101 FSBLHHZYWUKGBU-GOSISDBHSA-N 390.396 -0.815 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(F)c1)CCO2 1838912759 SDSLBPNFEQPHJE-LJQANCHMSA-N 390.367 -0.016 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1840158608 NWYMFOXCRAPCKE-BZNIZROVSA-N 382.442 -0.430 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1840160277 CWERQFRUDLLPJY-QLJPJBMISA-N 398.441 -0.724 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)CN1CCOC1=O)C2 1842919035 ODTNRQXMEQNWGD-UHFFFAOYSA-N 377.445 -0.076 30 20 GBED CN[C@H](CC(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1)C(=O)O 1844282440 QIUBGMGLQGLEAI-OAHLLOKOSA-N 391.468 -0.049 30 20 GBED CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1=O 268915741 PCLRCPIJTSFVGX-BXUZGUMPSA-N 392.437 -0.123 30 20 GBED COCCCS(=O)(=O)NCC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 269356248 JIVRIZBGFSXGEQ-ZDUSSCGKSA-N 396.473 -0.659 30 20 GBED C=CCS(=O)(=O)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 273111327 RDFFHOBTEUDCQB-LBPRGKRZSA-N 385.467 -0.058 30 20 GBED CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCO1 297862109 OLQNVUJOILSJCW-KRWDZBQOSA-N 399.451 -0.824 30 20 GBED C=CCOC[C@@H]1NC(=O)N(CCS(=O)(=O)NC[C@H]2CCCCO2)C1=O 348578469 WNXGCSGWOKLHFZ-OLZOCXBDSA-N 375.447 -0.402 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)CC[S@](=O)C1 349451952 CJXMOVKGARTNBI-OABGYEMISA-N 385.533 -0.762 30 20 GBED CN(c1cccnn1)S(=O)(=O)CCCS(=O)(=O)N1CC[C@](F)(C#N)C1 349485382 AJIZJONZCPZJHK-ZDUSSCGKSA-N 391.450 -0.100 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)NC2CCOCC2)c1C#N 349601207 JKBWPSUDOXCUSP-UHFFFAOYSA-N 391.475 -0.180 30 20 GBED N#Cc1ncn(CC(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)n1 426448009 OHGRHIGFHIGZQF-UHFFFAOYSA-N 378.400 -0.530 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@@H](C)O[C@@H](CO)C1 470926692 SBYNBUGOLMOPMT-TZMCWYRMSA-N 384.396 -0.006 30 20 GBED C=C(C)CN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 478165790 KBTZOCOKERZOGQ-UHFFFAOYSA-N 394.453 -0.220 30 20 GBED COC(=O)[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCO1 487741668 SMXHQESGSIRNOU-CQSZACIVSA-N 381.410 -0.421 30 20 GBED COc1cc([C@H](C#N)NC(=O)CN2C(=O)C(=O)N(C)C2=O)cc(OC)c1OC 505547831 VLDLDYREBPMYQV-JTQLQIEISA-N 390.352 -0.186 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)O1 527842340 JNFRYAWTKZEWAH-STQMWFEESA-N 390.400 -0.977 30 20 GBED N#Cc1cn(C2CN(C(=O)CCn3nnc4ccccc4c3=O)C2)c(=O)nc1O 530268176 UOSZVJYHLDOFAC-UHFFFAOYSA-N 393.363 -0.601 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)cc1 567179564 KUEDIGKYVIWAPW-CYBMUJFWSA-N 386.455 -0.531 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CCO1 583923749 JXCLZWXARUZTMG-CHWSQXEVSA-N 392.503 -0.751 30 20 GBED CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)c1 592302924 XNFCGLSBDUUUII-MRXNPFEDSA-N 398.416 -0.108 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC[C@@]2(O)CCOC2)cc1 594631165 WIBJJOHUPYVLIR-CQSZACIVSA-N 389.455 -0.692 30 20 GBED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 603993294 MGSPNAQTVOHVKB-UHFFFAOYSA-N 397.456 -0.256 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)NCCCN(C)S(C)(=O)=O)CC2)c1C#N 615954827 LFELUWRWUOHWAU-UHFFFAOYSA-N 397.505 -0.287 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCN3S(C)(=O)=O)CC2)c1C#N 615966507 RAFFWJIWQZCDDY-CQSZACIVSA-N 380.474 -0.327 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 685174970 XVRQZSVCISJASK-BBRMVZONSA-N 388.472 -0.203 30 20 GBED CS(=O)(=O)N1CCN(CCNC(=O)NCCNc2ccc(C#N)cn2)CC1 746513825 OMVKHZCRYCYGPL-UHFFFAOYSA-N 395.489 -0.758 30 20 GBED N#CCOc1cccc(CC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 787998194 JECWPCWCNMICNF-IAGOWNOFSA-N 393.465 -0.566 30 20 GBED C#CCN(C)c1cnc(-c2noc(CNS(=O)(=O)c3cnn(C)c3)n2)cn1 813342668 WINCSPVXEFIYEB-UHFFFAOYSA-N 388.413 -0.192 30 20 GBED C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)c2cc(C#N)c[nH]2)O1 960196704 OZYCDTGBLIMBKM-VJUNAUMWSA-N 387.440 -0.343 30 20 GBED C=CCOc1cccnc1C(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C1 968355553 BEQPEUKVKXZCCX-LOUJCGABSA-N 391.424 -0.248 30 20 GBED C#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@H]32)nc1 974681102 SRRAZLUQCSVPQE-MXASKKJJSA-N 382.420 -0.231 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cnc(C(N)=O)n1 1000563363 LIRQRKIBPBBQET-DGTMBMJNSA-N 388.428 -0.784 30 20 GBED C=CCCn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1 1047043428 AHXAOCKTIMLLAY-NFAWXSAZSA-N 375.429 -0.275 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC1(CO)CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 1081010877 WHCYHUJJOIICEK-QXSJWSMHSA-N 393.484 -0.051 30 20 GBED CN(C)S(=O)(=O)N1CCN(c2nnc(-c3cnc(O)c(C#N)c3)n2C)CC1 1123276949 CKDYGUNHBKDXKP-UHFFFAOYSA-N 392.445 -0.617 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)[C@H](C)C1 1208036229 BVYKHWQBTCHLFI-ZTFQOWAKSA-N 376.457 -0.142 30 20 GBED COc1ccc(OC)c2c1CN(C(=O)C(=O)N1CC[C@](O)(CC#N)C1)C[C@@H]2O 1261483883 HLSNVAHAORVRPP-ORAYPTAESA-N 389.408 -0.044 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)N(C)CCNS(C)(=O)=O)ccc1F 1318788055 INZBDURMIFHWOM-UHFFFAOYSA-N 393.462 -0.089 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)n1 1319063523 ZSPGZKCCDPRFDF-JURCDPSOSA-N 396.407 -0.341 30 20 GBED CCCS(=O)(=O)NC1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 1321191668 IRSGKOHMTUDEMS-CYBMUJFWSA-N 380.492 -0.751 30 20 GBED CC(C)CS(=O)(=O)N1CCC(NC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1323765597 LZQIWMFRTSJQLD-CQSZACIVSA-N 386.474 -0.696 30 20 GBED Cn1ncc2c(N3CCN(C(=O)C(=O)NCC4(CC#N)CC4)CC3)ncnc21 1324390162 NWZCLESNCDVAJH-UHFFFAOYSA-N 382.428 -0.178 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)C1 1325111029 KADMJOXFIRWXBH-DNVCBOLYSA-N 387.415 -0.179 30 20 GBED Cc1nnc(CNC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)s1 1326720743 MJLGTJHIRJFVHT-SNVBAGLBSA-N 386.441 -0.138 30 20 GBED N#Cc1ccc(OC[C@H](O)CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 1338487796 FDFSETCTLFIMQZ-QZTJIDSGSA-N 388.468 -0.179 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 1343812015 RKIRCMJOISISPN-NVXWUHKLSA-N 394.472 -0.719 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 1345831519 VKDVCWCSIMEUOC-AWEZNQCLSA-N 390.444 -0.490 30 20 GBED C=C(C)Cn1c(CN2CCC[C@@H](O)C2)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1515514381 KMHJMSGLONOTQG-PMPSAXMXSA-N 390.488 -0.095 30 20 GBED C=CCOCC(=O)N[C@H]1[C@@H]2CN(C(=O)C3(Cc4cnn[nH]4)CCOCC3)C[C@@H]21 1575109724 CQVPYIKTWJYSKL-QLPKVWCKSA-N 389.456 -0.080 30 20 GBED N#CCN1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C3)[C@@H]2C1 1592677861 KJXDZKOKDYSYJM-YUTCNCBUSA-N 397.399 -0.562 30 20 GBED N#CCSCC(=O)NC[C@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCCO1 1592679545 UOEUXEXMICEKKT-NSHDSACASA-N 389.445 -0.375 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)[C@@H](C)n3cnc(-c4nn[nH]n4)n3)CC2)c1C#N 1609458604 IUEXVEXQBZQGTK-LLVKDONJSA-N 396.419 -0.718 30 20 GBED Cc1c(C#N)c(=O)n(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)c(=O)n1C 1656779311 VLIUQXDJJITTFM-UHFFFAOYSA-N 395.419 -0.064 30 20 GBED CNS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1748296095 XDOVZCKIIYJRBL-AWEZNQCLSA-N 391.457 -0.458 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1779214741 ZUHYZVGGHXHVAB-MDZRGWNJSA-N 389.456 -0.218 30 20 GBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1781693226 FKJNTBFBMCFLDL-YYFZDKIDSA-N 399.451 -0.258 30 20 GBED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@@H]4NC(=O)NC4=O)[C@H]3C2)C1 1785149707 PSMSEMBETOGYCE-MXAVVETBSA-N 390.440 -0.470 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C 1792626185 DEGNETLABSAOJB-HLPPOEQASA-N 396.488 -0.580 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1ccco1)C2 1793341090 JGAKAZPNSCGOAH-GFISCPRKSA-N 376.409 -0.059 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793941443 MGLMKHJFZGJAQS-OXIQGZBJSA-N 396.469 -0.907 30 20 GBED CN1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598347 SJNGISUHZROQKI-YVSFHVDLSA-N 391.516 -0.048 30 20 GBED O=C(Cn1cnnn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1795856465 GNCGEXGTTKPAJK-HGKCTWBKSA-N 380.408 -0.686 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncnn1C)C2 1797706979 BCIICEMHWDIMSD-CRWXNKLISA-N 377.445 -0.409 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)[C@@H](C)CC)C2)C1 1831388793 XPMHOYQEUYUHTC-PFRQMTDMSA-N 396.484 -0.112 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1831392574 FQVFMDQHHBVXSE-CXAGYDPISA-N 398.485 -0.892 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1nc(C)no1)CCO2 1836074827 BKEZVGDPECPXMM-GOSISDBHSA-N 376.413 -0.210 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccn4)C3)C2)c1 1838736308 XDYUSFGGRUIPAU-IBGZPJMESA-N 398.423 -0.147 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1839807714 KDWXXDWTJGBSNX-NQIIRXRSSA-N 383.448 -0.210 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1840041835 KCWBIDNDILQXKX-KRWDZBQOSA-N 393.421 -0.770 30 20 GBED CN(C)C(=O)NCC(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1841133832 FDDFOWOCZPKNIU-UHFFFAOYSA-N 378.477 -0.257 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)NCC)C1 1844227540 QDKBGTKNBOSVEO-DANTVBBOSA-N 391.472 -0.244 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](N3CCCC3=O)C2)c1=O 111171035 KWAYELUAHDFHFD-HNNXBMFYSA-N 389.456 -0.412 30 20 GBED C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 264882112 CVYFSHVDNZDDHW-JTQLQIEISA-N 377.426 -0.200 30 20 GBED C=CCS(=O)(=O)CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 272858215 MIKWKVSLRZKNOD-UHFFFAOYSA-N 381.366 -0.092 30 20 GBED C=CCNC(=O)CNC(=O)Cc1ccc(CC(=O)NCC(=O)NCC=C)cc1 274042498 GIVFJKFEJWSROG-UHFFFAOYSA-N 386.452 -0.392 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1=O 297776003 IRSJKTOJWZPDTO-HUUCEWRRSA-N 392.456 -0.919 30 20 GBED COCCNC(=O)/C(C#N)=c1/s/c(=C/c2ccc3c(c2)CCO3)c(=O)n1C 298880347 WIZJJHIRYNBPIL-ANINKVBOSA-N 385.445 -0.353 30 20 GBED Cn1cnc(NS(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CCC2)n1 349537501 DVTRLQINRSIXPV-UHFFFAOYSA-N 376.464 -0.440 30 20 GBED C[C@H]1C[C@H]1CNS(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 349567347 NCERPCCKSFUVDR-QWRGUYRKSA-N 375.476 -0.001 30 20 GBED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@H](C(N)=O)C2)CC1 367647712 ZDJGQHCJBWDTDJ-KBPBESRZSA-N 377.470 -0.357 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCCN2CCN(Cc3ccccc3)CC2)CCO1 409592586 VUDWQDIYCGHOQW-SFHVURJKSA-N 393.513 -0.137 30 20 GBED N#Cc1ccc(N2CCN(C(=O)Cn3cc(S(N)(=O)=O)cn3)CC2)c(F)c1 513363199 AFTAELWQSPUSCC-UHFFFAOYSA-N 392.416 -0.110 30 20 GBED COCCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1 516877398 FNDHIEBBGOYXRY-LBPRGKRZSA-N 391.471 -0.494 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnccc2N2CCN(C)CC2)C1=O 522248568 RVMCVMYHYADDPU-UHFFFAOYSA-N 386.412 -0.251 30 20 GBED COC[C@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)C#N)cc1 567915290 NDDCEHGNUGQIGF-VXGBXAGGSA-N 391.471 -0.495 30 20 GBED N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cn1 609643502 VNHVYQQFUZKMHH-UHFFFAOYSA-N 389.393 -0.208 30 20 GBED COC(=O)CN(CC#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 609992586 VMDOGHKMZOCEHG-ZDUSSCGKSA-N 397.457 -0.048 30 20 GBED CC#CC[C@H](CO)NC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 645287011 OXUBKCVWQJVOLF-OAHLLOKOSA-N 383.470 -0.127 30 20 GBED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccsc2)c1=O 727163612 DYDAEQUFIIKNKY-UHFFFAOYSA-N 380.476 -0.453 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(F)c(F)c2)CC1 728608717 RBWKLIMUPPLWDS-UHFFFAOYSA-N 378.379 -0.412 30 20 GBED C[C@H](C(=O)OCC(=O)N[C@](C)(C#N)C1CC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745442169 KAJSHWMKMRSMMJ-UXZPIWJASA-N 389.408 -0.111 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccccc2C#N)CC1 761023731 KFYBXFMIWZHMCN-CQSZACIVSA-N 375.454 -0.030 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)[C@@H]1CCCO1 809312062 LJIIJFSUSDOHFB-CVEARBPZSA-N 384.440 -0.454 30 20 GBED N#Cc1cncc(S(=O)(=O)NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 813984741 YSOZZVIQDMYOLY-BETUJISGSA-N 376.394 -0.067 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nn[nH]n3)o2)c(=O)n1CC(C)C 821629903 GGXWFJVWDWVAFD-UHFFFAOYSA-N 399.436 -0.412 30 20 GBED COC[C@@](C)(C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 821680464 KCSNSMUIZOGMJO-MEBBXXQBSA-N 393.429 -0.422 30 20 GBED C#CCNC(=S)N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 823850040 IUYAWLSVAYRURQ-UHFFFAOYSA-N 391.482 -0.319 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](CC(=O)O)C1 827759920 CSDPZYZYYPRUQG-DGCLKSJQSA-N 381.410 -0.073 30 20 GBED C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH]ccc1=NC(C)=O 848965896 XKJBHGMPHHAOQS-LLVKDONJSA-N 388.471 -0.465 30 20 GBED C#CCN(C)S(=O)(=O)CCCCS(=O)(=O)N1CCCn2ncnc21 848969037 UBQJHCYTFICQMO-UHFFFAOYSA-N 375.476 -0.507 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)C[C@@H]1O 964613507 KATDWGRULHPHFX-OJLVUWQFSA-N 390.440 -0.454 30 20 GBED C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]2n2ccnn2)CCN1C 1051472366 DKUPRXQFTQZKKU-TUVASFSCSA-N 381.444 -0.174 30 20 GBED C=CCOCC(=O)NC1(CO)CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1080773375 NHZXVCYBRQOUPO-YQQAZPJKSA-N 382.457 -0.290 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCCN1c1ncccn1 1109422056 WNIWJTHZDQMJIR-LTIDMASMSA-N 382.468 -0.084 30 20 GBED C=CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@H](C)C(=O)NC(N)=O)nn1 1109820738 SUHJPYTUWXOAAG-NMKXLXIOSA-N 375.433 -0.227 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 1258297562 QPTCJSOGZNTCBL-MRXNPFEDSA-N 395.419 -0.030 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 1261181538 YSHPZCKJKIKWQO-OAHLLOKOSA-N 387.502 -0.726 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 1323244051 BHNQITMXAUFHAD-CQSZACIVSA-N 386.518 -0.459 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)CC1 1324781150 VGXPAMZVFRXVIN-OAHLLOKOSA-N 382.424 -0.557 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCc2ccccc2NS(C)(=O)=O)nn1 1326236369 QWDHCTXYFYSLFS-UHFFFAOYSA-N 392.441 -0.232 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)CC1 1326505409 GHPWFXMTTZRQFM-OAHLLOKOSA-N 375.473 -0.145 30 20 GBED C=CCC(C)(C)Cn1nnnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1337292411 KOWSAWCYNHFJRX-UHFFFAOYSA-N 391.476 -0.217 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 1338909502 MBLQZCKXQYSGSZ-SZGQWAQFSA-N 377.445 -0.247 30 20 GBED COCCO[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1348136744 URXVTEWESLKUQO-INIZCTEOSA-N 387.440 -0.134 30 20 GBED N#Cc1cn(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)c(=O)nc1O 1463974520 MSBBHLFTNBZURR-UHFFFAOYSA-N 383.364 -0.068 30 20 GBED C#CCN1CCC(N(Cc2cnn[nH]2)C(=O)CCc2nnc(O)nc2O)CC1 1574986343 ZUCJSDAWDJJNPS-UHFFFAOYSA-N 386.416 -0.540 30 20 GBED C=C[C@](C)(O)CC(=O)NCC1[C@@H]2CN(C(=O)CCOCc3cnn[nH]3)C[C@@H]12 1575073157 NUXRUOHGUZUSBL-MPGHIAIKSA-N 377.445 -0.141 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]21 1588355542 JNOHKTLWAULKMD-SLEUVZQESA-N 383.412 -0.094 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nn[nH]n2)C1 1588356089 SJLSHYUHAIYAHL-OLZOCXBDSA-N 386.416 -0.276 30 20 GBED C#Cc1ccccc1CC(=O)NC[C@@H](O)CN=c1cc[nH]cc1-c1nn[nH]n1 1588377458 XIKWCRNRKLILNB-HNNXBMFYSA-N 377.408 -0.203 30 20 GBED C=CCNC(=O)CN1CC2(C[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CO2)C1 1588659151 ILISQAXJDXVKTB-LBPRGKRZSA-N 386.416 -0.930 30 20 GBED N#Cc1ccc(OC2CN(C(=O)NCCn3cnc(-c4nn[nH]n4)n3)C2)cc1 1592695648 CMTSPWCSNCFCKQ-UHFFFAOYSA-N 380.372 -0.197 30 20 GBED COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC(=O)N(C)C[C@@H]1C(=O)O 1598918751 LARWIYXEKNRCLN-LLVKDONJSA-N 381.366 -0.739 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1783566399 AFWJCQWDSQBNQB-KRWDZBQOSA-N 379.319 -0.109 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nccn3)C[C@@H]21 1784482347 JTFHVPZDCGGRSY-VGWMRTNUSA-N 375.429 -0.704 30 20 GBED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CNC(=O)O4)[C@H]3C2)CCC1 1784581266 BOSWCRVQKZIUAT-XUXIUFHCSA-N 376.413 -0.232 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCC4)C[C@@H]21 1791077066 ZLXMBTVLRXOSAX-NOLJZWGESA-N 386.408 -0.489 30 20 GBED CCOC(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)OCC 1791078182 YCAKOSQISIGVGC-KKUMJFAQSA-N 396.440 -0.157 30 20 GBED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O 1800194386 ZEPFVBOEUONBNQ-RMHZUWNSSA-N 394.497 -0.213 30 20 GBED CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812651529 CAZIRUHDMTVNST-DWQUBVKVSA-N 386.408 -0.300 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)N(C)C)CCO2 1830050951 YEEJKAAXZNDRJD-GOSISDBHSA-N 380.445 -0.873 30 20 GBED CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056800 UYXTWTNOZIHQAX-LJQANCHMSA-N 394.472 -0.235 30 20 GBED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1831191934 VHXGDOXZNUSJKE-IIYDPXPESA-N 387.502 -0.324 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833836929 HQFZWRLUSOBWIW-MEDUHNTESA-N 382.442 -0.430 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834380825 JBIZBKKPRNBFQI-APWZRJJASA-N 392.456 -0.069 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)CC1 1835344763 SNOQAHNOEZKQLA-LJQANCHMSA-N 386.408 -0.306 30 20 GBED CC(=O)O[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)C(C)C 1837216682 QDLJZGCAPHCKBU-SJLPKXTDSA-N 381.429 -0.056 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839120680 QDRMUZCZBCRRTC-DBVUQKKJSA-N 393.484 -0.377 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(=O)OC)nc3)C2)C1 1839808580 UYUXDWBSDYGEMP-IBGZPJMESA-N 387.392 -0.429 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840228015 DPMDZCJZLRBAIN-KDOFPFPSSA-N 378.429 -0.727 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840362086 GGWOUSMUDUTEAJ-KUHUBIRLSA-N 387.440 -0.115 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)c1 293973527 WZSUEUZFTOKYOP-AWEZNQCLSA-N 399.494 -0.296 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)COC)CC2)cc1 299069953 NWUFGJIPTJUBDH-UHFFFAOYSA-N 388.424 -0.142 30 20 GBED O=C1C[C@H](/N=C(/O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CN1CCN1CCOCC1 330166485 YCUKAUNQEZPDSZ-KGLIPLIRSA-N 390.444 -0.348 30 20 GBED CCN(C)C(=O)[C@H](C)/N=C(/O)N1CCO[C@@H](CNc2nccn(C)c2=O)C1 330999496 DYJYGKLFCLKSPA-STQMWFEESA-N 380.449 -0.326 30 20 GBED CNS(=O)(=O)CC/N=C(/O)N1CCN(CC(=O)N2CCCCC2)CC1 331289334 JMADDBJUPGLVKJ-UHFFFAOYSA-N 375.495 -0.920 30 20 GBED CC1(O)CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc(CC#N)ccn2)C1 349458894 GPFXTQWFIRPYJK-UHFFFAOYSA-N 388.471 -0.324 30 20 GBED CN(C1(CO)CC1)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(C#N)cn1 349488120 ZBNQJCYTHNRGFJ-UHFFFAOYSA-N 388.471 -0.128 30 20 GBED CN1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1=O 372677490 PVFNSWYPLCSBKU-AWEZNQCLSA-N 384.371 0.511 30 20 GBED C=CCn1cc(CNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)nn1 424908113 MZWXFNRRMQTROT-UHFFFAOYSA-N 384.444 -0.001 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccn(CC(=O)N(C)C)n1 465262975 ISMDYLUOEPBGOH-CYBMUJFWSA-N 397.443 0.376 30 20 GBED CN(C)C(=O)COC1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 482249386 ZCAJHQTXWDTLAJ-UHFFFAOYSA-N 394.453 -0.506 30 20 GBED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCCN2C(=O)CNC2=O)c1 503294758 GDAXURWKEPEOGW-UHFFFAOYSA-N 381.295 -0.234 30 20 GBED CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccn(CCC#N)n1 507636900 AAIYPHISCSCQLM-STQMWFEESA-N 396.473 -0.041 30 20 GBED COCCNC(=O)CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 512952787 MQAXEZOYIASWGL-UHFFFAOYSA-N 388.359 -0.300 30 20 GBED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 555260487 PTNXMWXOUKIUHS-ZDUSSCGKSA-N 387.444 -0.763 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C 581570011 CIROLRHRIOJKFS-CHWSQXEVSA-N 381.524 -0.427 30 20 GBED CCN(CCOCCO)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 584005165 JVYFKLVNSIVRAR-UHFFFAOYSA-N 391.471 -0.492 30 20 GBED N#Cc1cccc(NC(=O)CN2C(=O)N[C@@H](CC(=O)N3CCOCC3)C2=O)c1 603561828 HUNZIQIABILJMO-AWEZNQCLSA-N 385.380 -0.334 30 20 GBED N#Cc1cccc(OCC(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 778105900 KZYIZRFLZSAIPY-GFCCVEGCSA-N 395.393 -0.507 30 20 GBED COC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 811199588 KHSVJIZSUWBQFL-UHFFFAOYSA-N 380.426 -0.846 30 20 GBED C#CCN(c1nnc(C(=O)NC(C)C)n1CCOC)[C@@H]1CCS(=O)(=O)C1 812068963 KXLBGVOWNIYSTJ-CYBMUJFWSA-N 383.474 -0.311 30 20 GBED C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 820451431 VMMHBXQZASYISK-ZCFIWIBFSA-N 393.414 -0.172 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)n2cnc3c(N)ncnc32)CC1 826555846 VTHOECBUUXDWGC-ZDUSSCGKSA-N 384.444 -0.747 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(N3CCOC3=O)cc2)CC1 831556743 SJYCNMUTBMCGFQ-UHFFFAOYSA-N 392.437 -0.131 30 20 GBED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)Cn1nc2n(c1=O)CCCC2 845517960 YACIQBSPQBMWSX-UHFFFAOYSA-N 391.409 -0.234 30 20 GBED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1CC[C@H](O)C1 863829234 CUJYQZDRYLLMON-ZDUSSCGKSA-N 380.470 -0.312 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(F)c2C)CC1 872515804 WTKPIVBTWSGIQS-UHFFFAOYSA-N 375.447 -0.092 30 20 GBED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)nc1 915777183 BHGVKSALCJKQLE-UHFFFAOYSA-N 382.380 -0.016 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H]1C 990146029 PAIYWAYFOUPMRI-NDBYEHHHSA-N 392.412 -0.896 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C[C@H]2O)c1 1025553994 BZBPIKZUGSICRE-BSDSXHPESA-N 379.420 -0.098 30 20 GBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)nc1 1041426217 RENJKPXDMQXNMM-OXHZDVMGSA-N 386.330 -0.035 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC[C@@H]1CCOC1 1110465886 XUXOBCWJBFGRCM-JJXSEGSLSA-N 376.457 -1.000 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCN(C)S(C)(=O)=O 1110678759 GELQKIXDUPQEDA-NCOADZHNSA-N 382.530 -0.303 30 20 GBED C#CCOCCNC(=O)C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 1117394615 CPCIYZQQWCLLFP-UHFFFAOYSA-N 381.454 -0.502 30 20 GBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2CC)C[C@@H]1n1ccnn1 1129940978 CZAPCOMFTHEQHV-WCVJEAGWSA-N 376.461 -0.263 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)[C@@H]2C1 1188610356 KWTVDHQFBBDUMG-CQZDKXCPSA-N 388.468 -0.046 30 20 GBED C[C@@H]1CN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC2(CCC2)O1 1261467495 JKRFXJWMZPNYNU-XROPSADXSA-N 376.413 -0.201 30 20 GBED O=C1CN(c2ccnc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)c2)CCN1 1320750602 NYDHKGKXEJDUOD-VLGSPTGOSA-N 384.396 -0.726 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NC2CCN(CC(=O)NC)CC2)n1 1321545934 HFBSKCPXDAPCDK-UHFFFAOYSA-N 388.472 -0.809 30 20 GBED C[C@H](N)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)CCO1 1325719251 WPGZXAXYESLCMN-GUYCJALGSA-N 389.431 -0.079 30 20 GBED C#CCN1CCN(c2nnc(C3CCN(CCO)CC3)n2CCOC)CC1 1358332376 ZJZHOEXHHOSITJ-UHFFFAOYSA-N 376.505 -0.149 30 20 GBED CC(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1360000967 SUUPWXHSZJQGKX-UONOGXRCSA-N 398.489 -0.004 30 20 GBED C[C@H](CC(=O)N[C@H](CO)Cc1cnc[nH]1)/N=C1/NS(=O)(=O)c2ccccc21 1455029878 ZVRHACFDCJTVMJ-YPMHNXCESA-N 391.453 -0.053 30 20 GBED C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1NCC[C@@H]1C 1574614985 PZCIUUQUDYVVOS-ZNMIVQPWSA-N 396.517 -0.322 30 20 GBED C=CCC1(C(=O)N[C@H]2CCN(CC(=O)NCc3cnn[nH]3)C2)CCOCC1 1575085899 RZUVQWNQTDYITB-AWEZNQCLSA-N 376.461 -0.016 30 20 GBED C=CCOCC(=O)N1CCC(N(Cc2cnn[nH]2)C(=O)[C@H](C)CC(N)=O)CC1 1575108164 GXSBYEMGBJXTPS-CYBMUJFWSA-N 392.460 -0.162 30 20 GBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(Cc2ccc(-c3nn[nH]n3)s2)C1 1588358053 SPMJPCDDZAQBLZ-NSHDSACASA-N 376.442 -0.371 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)NCCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588658583 QLFWUVPVQVBPBB-SNVBAGLBSA-N 389.420 -0.695 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)CCO1 1592672993 SHGOQGQRYILGMB-CYBMUJFWSA-N 396.411 -0.734 30 20 GBED COC[C@@]1(C(=O)O)CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 1593976247 VUGZGSRMOKHOEB-MRXNPFEDSA-N 397.409 -0.835 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCS(=O)(=O)CCO1 1606336710 IYNOONHLVPGALF-CYBMUJFWSA-N 376.398 -0.262 30 20 GBED N#CCSCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O 1606350959 IKTCSAFWHIVMRM-MNOVXSKESA-N 379.471 -0.154 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(CN3C[C@H](C(=O)O)CC3=O)CC2)cc1 1608211050 YVYCYIZKOBSRGV-CQSZACIVSA-N 392.437 -0.245 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Nc1cc(CC#N)ccn1)C2 1673549199 LJCWIXRXOYCPAF-UHFFFAOYSA-N 384.400 -0.358 30 20 GBED CS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1770363302 YDZRUNDWHJJFLY-YGRLFVJLSA-N 385.425 -0.780 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777832790 JZGIBTXIGGLEQC-BZNIZROVSA-N 376.442 -0.114 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)COc4ccc(O)nn4)C3)C2)CC1 1782672701 HVPVIBPFIKGAJI-SFHVURJKSA-N 387.396 -0.305 30 20 GBED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1783681615 BZSKPKSSPHTSSG-XUXIUFHCSA-N 379.461 -0.891 30 20 GBED CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1784441588 OTFDLXDXRSTSCI-XUXIUFHCSA-N 386.474 -0.792 30 20 GBED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1791261008 IPAHGTPNOFGGBI-UHXUPSOCSA-N 381.454 -0.003 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCOCC2)CCC1 1795470865 MICTVBQFERYASK-ALXJQNPVSA-N 390.484 -0.008 30 20 GBED C[C@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1795513117 DDOLBGVBWFJZRP-PKFJTPLDSA-N 382.461 -0.300 30 20 GBED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2C[C@H](O)CN2)C3)cc1 1798921093 FIWXWMSXTUBUOY-ADHGMGHFSA-N 384.436 -0.516 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnc3ccccc13)C2 1800778265 KJAMZWRTFQATBL-DBWKPXFBSA-N 394.387 -0.079 30 20 GBED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1831191931 VHXGDOXZNUSJKE-IGCXYCKISA-N 387.502 -0.324 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(=O)C3)C2)C1 1831402574 LADUGODWWYKPTI-AUUYWEPGSA-N 378.425 -0.540 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN(C)C)C2)C1 1837396609 GXAZXYKEFVGXIC-UZLBHIALSA-N 397.516 -0.032 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1839809170 HHMHXRKIRBCUOP-SFHVURJKSA-N 376.365 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C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)CC1(C)C 349502478 ODCSCOKTDNVQPB-ZDUSSCGKSA-N 380.536 -0.094 30 20 GBED CN1CC[C@@]2(CCN(S(=O)(=O)CCCCS(=O)(=O)N(C)CC#N)C2)C1 349603765 SDVJOORVPDQKIH-OAHLLOKOSA-N 392.547 -0.091 30 20 GBED COc1cccc(C(=O)N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)c1 409555567 NWQYPJNIMIKEHS-MRXNPFEDSA-N 394.453 -0.078 30 20 GBED CCN(C(=O)[C@H](C)n1cnc(C#N)n1)C1CN(C(=O)[C@H](C)n2cnc(C#N)n2)C1 410014210 INQKKYFLZFDJDZ-RYUDHWBXSA-N 396.415 -0.506 30 20 GBED CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCO1 410586256 CNAFJJWWGVNMSF-IRXDYDNUSA-N 399.451 -0.804 30 20 GBED CN(CCC#N)S(=O)(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 443090329 RPURZIODZAYADG-UHFFFAOYSA-N 382.414 -0.077 30 20 GBED CCOC(=O)c1c(NC(=O)NCC(=O)NCC#N)c(C#N)cn1CCOC 480063257 BRTYJXRESTWPMS-UHFFFAOYSA-N 376.373 -0.056 30 20 GBED COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NCC(=O)NCC#N)c1 508942817 QFLUDSFFKCYOFP-UHFFFAOYSA-N 398.379 -0.338 30 20 GBED CC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)C#N)cc1)C(N)=O 572135259 RPYJIHZNFIQHRU-ZWNOBZJWSA-N 388.471 -0.239 30 20 GBED Cc1c(I)cn(Cc2nc(=N)[nH]c(=N)[nH]2)c(=O)c1C#N 584462710 XZHFCFVTNGVWSF-UHFFFAOYSA-N 383.153 -0.309 30 20 GBED C[C@@H](O)CN(C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1)[C@H](C)CO 590993216 JCOKADFSPKUGHQ-ZIAGYGMSSA-N 375.429 -0.808 30 20 GBED COC(=O)C1(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCOCC1 599023535 IOXFUSPBQQENBW-UHFFFAOYSA-N 391.384 -0.643 30 20 GBED C=C(Br)CNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 729602443 MQAVZCPERQUCJR-UHFFFAOYSA-N 387.234 -0.102 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)OC)c(C)c2)CC1 742290975 UYVGNQUHZQWOFH-UHFFFAOYSA-N 393.465 -0.163 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2F)CC1 755857638 SIQQXBAJIQQAQT-UHFFFAOYSA-N 381.429 -0.264 30 20 GBED CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)nn1 756887488 SSEJCFMVDAXOCU-VXGBXAGGSA-N 391.432 -0.145 30 20 GBED Cc1ccc(C(=O)NC[C@@H](O)c2cnn(C)c2)cc1S(=O)(=O)NCC#N 762520918 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-0.297 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCOCC1=O 997561485 WNQGVGDNRWTFLX-OWYFMNJBSA-N 377.441 -0.316 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cc(=O)n3nccc3[nH]2)C[C@H]1O 1077821768 FRSLJNWCKMNDMG-BORJPKMPSA-N 387.440 -0.335 30 20 GBED C=C(Br)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1083776238 JOAHYRALMNTLFQ-XQHKEYJVSA-N 390.278 -0.308 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc(-n2ccnc2)nn1 1109835608 RBGXXJWUYRVOFW-KBMXLJTQSA-N 379.424 -0.253 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnnn1CC 1110528059 RUNAVAYTHIVFPQ-UPJWGTAASA-N 375.433 -0.355 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)CC1 1116238070 WYMFWAVMGGANFB-UHFFFAOYSA-N 396.469 -0.774 30 20 GBED N#Cc1cn(CC(=O)N[C@@H]2CCS(=O)(=O)C2)nc1I 1118581441 YJYKCLWDGMRXHQ-MRVPVSSYSA-N 394.194 -0.337 30 20 GBED C=CCn1c(CN2CCC[C@@H](O)C2)nnc1N1CCN(CC(=O)NCC)CC1 1121634645 VQHCEYANQRNYHK-MRXNPFEDSA-N 391.520 -0.321 30 20 GBED C=CCn1c(N2CCN(CCOCCOC)CC2)nnc1[C@@]1(O)CCOC1 1121722433 CDCVJXNBINIWGG-GOSISDBHSA-N 381.477 -0.143 30 20 GBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 1261304419 SDYSMKMRQBSNFL-SFHVURJKSA-N 379.436 -0.393 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccon1 1319187561 POVRMVQYVYMBGM-UHFFFAOYSA-N 381.373 -0.340 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC1CCN(C(=O)CC(C)C)CC1 1323657499 WZBHCQWTNACXBS-UHFFFAOYSA-N 387.502 -0.143 30 20 GBED N#CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 1323751627 PCXYFPHXKIFFPO-UHFFFAOYSA-N 399.860 -0.108 30 20 GBED CN(CCNS(C)(=O)=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1337827123 WTIXEGHXVILTNT-VXGBXAGGSA-N 389.478 -0.064 30 20 GBED C=CCn1c(C)nnc1S(=O)(=O)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 1340091165 SYHWDBYNYLWOKJ-CMPLNLGQSA-N 390.487 -0.420 30 20 GBED CC#CCCNC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1345335103 XUHIEAVYXWXHFP-UHFFFAOYSA-N 380.445 -0.289 30 20 GBED C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)CCN1c1nccn2cnnc12 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593716251 OUCUOJWPQBKQND-IBGZPJMESA-N 398.423 0.434 30 20 GBED Cc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 609811333 AJKROQWNCIWFBH-UHFFFAOYSA-N 393.469 -0.501 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CSCC(=O)N2CCCCC2)CC1 728533396 HSXCKHNKQLZMPF-UHFFFAOYSA-N 380.514 -0.374 30 20 GBED C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 735374995 QXHVGUHUOCJVKR-SNVBAGLBSA-N 382.427 -0.927 30 20 GBED CN1C(=O)C(=O)N(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1=O 757574459 FOTDJAWIXWTRGC-UWVGGRQHSA-N 379.373 -0.718 30 20 GBED C#CCOc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C)cc1 760367188 HNLFGRSIXLYVGG-UHFFFAOYSA-N 382.442 -0.414 30 20 GBED N#Cc1ccc(NCCNC(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)nc1 806713171 NDBZWQQKCGCWJK-AWEZNQCLSA-N 389.412 -0.480 30 20 GBED CC#CCS(=O)(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 810772421 ZWBVPDHZTUDMHC-KRWDZBQOSA-N 393.421 -0.069 30 20 GBED CN(C)C(=O)N[C@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 837132383 BWVJAHHYCUOYMP-LBPRGKRZSA-N 393.469 -0.013 30 20 GBED COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 862824701 PDIFJSLTVITCRU-MRMLTLRBSA-N 393.396 -0.144 30 20 GBED C#CC[C@@H](CCOC)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 863790390 HDYROADMLOSLAO-HNNXBMFYSA-N 393.465 -0.035 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H](N4CCNCC4)C3)CC2)cc1 868409529 DFLYUYDAVFDBMP-IBGZPJMESA-N 396.495 -0.287 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(OC)n(C)n2)C1 969258264 UAICLIQOHOOPES-AEIGPULVSA-N 378.429 -0.289 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(=O)n(CC)n2)C1 969726142 NLQSLWPXNFWPOY-OJLVUWQFSA-N 390.440 -0.454 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2[nH]nnc2C)C1 990918656 WRDHGSWETSIFLC-MQYQWHSLSA-N 386.416 -0.522 30 20 GBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2cnc(C(N)=O)n2)c1 997030216 SNTJCYMRSYOQKT-MDZLAQPJSA-N 382.384 -0.861 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(CC)nn2)C1 1025414304 KKAXUHZXRLZHTR-XNISGKROSA-N 377.445 -0.029 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2nc(C)nc(N(C)C)n2)C[C@@H]1O 1044661167 LHMZLBJTCWVGDA-XGUBFFRZSA-N 376.461 -0.107 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CCNS(C)(=O)=O)n1 1092924299 YLPORQVQZPQQFK-RDBSUJKOSA-N 378.458 -0.178 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1c(C)c(C)sc1=O 1111457523 BUWBOFRVNXBCBB-KFWWJZLASA-N 376.482 -0.002 30 20 GBED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cc(C)n(CC(=O)NC)n2)c1 1116703817 PIFYGBBIEVEANA-UHFFFAOYSA-N 396.407 -0.388 30 20 GBED COCCN(CCOC)C1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 1117461697 LUEWBQUELHIABR-UHFFFAOYSA-N 392.460 -0.069 30 20 GBED C[C@]1(C2CCN(C(=O)C(=O)N3CCC[C@@H](CC#N)C3)CC2)NC(=O)NC1=O 1118452298 ABIBFODAOHMAQB-KPZWWZAWSA-N 375.429 -0.025 30 20 GBED C=CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1254246984 UYKXIHXEXHWKNB-UHFFFAOYSA-N 383.474 -0.452 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)C1 1261486593 BGJZVAAKTYTYRF-JLTOFOAXSA-N 397.435 -0.077 30 20 GBED C=CCN(C(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)[C@H](C)COC 1261624426 VLULGOAPQIKURJ-KGLIPLIRSA-N 375.491 -0.176 30 20 GBED Cc1cc(NC(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)nn1CCC#N 1319672144 FINIFFZTQBSGLO-ZDUSSCGKSA-N 384.400 -0.301 30 20 GBED COC(=O)CN(C)CCNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1320394757 QMHSXSDMPSEFRX-LBPRGKRZSA-N 396.469 -0.275 30 20 GBED C[C@](C#N)(NC(=O)COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C1CC1 1321601088 KFHJDNJYVCGMFA-PLQHRBFRSA-N 397.453 -0.626 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(C[S@](C)=O)c2)CC1 1332507841 NQXWOTWBHXDKIX-DEOSSOPVSA-N 383.495 -0.210 30 20 GBED CN(CCNS(C)(=O)=O)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1339022760 ZBPGHGKSHLCDQP-UHFFFAOYSA-N 388.471 -0.877 30 20 GBED COCCN(C(=O)C(=O)NCc1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 1340455384 XIENPIFVZPVIGX-OAHLLOKOSA-N 379.438 -0.163 30 20 GBED CCOC(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nc1 1341931222 RZIMVTAQKHLOOG-GFCCVEGCSA-N 379.394 -0.162 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 1345473573 FIKPUBDHVCSQQA-CYBMUJFWSA-N 388.390 -0.273 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H](OC(=O)N(C)C)C2)C1=O 1348355628 LHZZCCMOEYDGIQ-KBPBESRZSA-N 380.445 -0.079 30 20 GBED C#CCN(CC(=O)O)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1573318223 SNLAAAPGAWDYDL-NSHDSACASA-N 376.431 -0.139 30 20 GBED C=CCCOCC(=O)N1CCC[C@H](NC(=O)CC(=O)NCc2cnn[nH]2)C1 1575100717 VLAYVAGAPSPBKS-ZDUSSCGKSA-N 378.433 -0.489 30 20 GBED COCC#CCN1CC[C@@H](N2CCN(C(=O)[C@@H](C)OCc3cnn[nH]3)CC2)C1 1576953478 OBRASPZJQOEGGJ-SJLPKXTDSA-N 390.488 -0.422 30 20 GBED N#Cc1nc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cnc1-c1nn[nH]n1 1581879791 XUTCCNWTUHDBCI-MRXNPFEDSA-N 390.411 -0.123 30 20 GBED N#Cc1nccc(N2CCO[C@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 1581885083 MYIWLELGPGTBDM-SNVBAGLBSA-N 380.372 -0.508 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588352561 OKKBPKPJNIVURS-HNNXBMFYSA-N 382.428 -0.425 30 20 GBED C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588354127 GPLWYGSWQOFZJS-BZPMIXESSA-N 396.411 -0.804 30 20 GBED C#CCNC(=O)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588354443 NBTSGOFTVWHFIA-GJZGRUSLSA-N 382.428 -0.377 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588404291 GXUISXVRRCLYMM-AWEZNQCLSA-N 388.432 -0.098 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CNS(=O)(=O)N(C)C 1588639697 FHQIETJMJMLOAE-UHFFFAOYSA-N 379.446 -0.223 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCOC)c1ccnc(-c2nn[nH]n2)n1 1588722767 BQCAJGLMOGFEKU-OLZOCXBDSA-N 388.432 -0.183 30 20 GBED N#Cc1ccc(C(=O)N[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C[C@@H]2O)[nH]1 1606367381 IKZCWEFPJQGFBU-WFASDCNBSA-N 379.384 -0.169 30 20 GBED N#Cc1ccc(S(=O)(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)O)c(F)c1 1608211072 ZXEHJACRUBGLHA-ONGXEEELSA-N 396.356 -0.535 30 20 GBED N#Cc1sccc1S(=O)(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)O 1608224765 BHIGDPDHHLOHKU-YUMQZZPRSA-N 384.395 -0.612 30 20 GBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CC(Oc3ccc(-c4nn[nH]n4)cc3)C2)C1 1609493524 KVYBQJZFMOXJAW-KRWDZBQOSA-N 385.359 -0.080 30 20 GBED COC(=O)CCN(C[C@@H]1CCCO1)C(=O)CCn1cc(C#N)c(O)nc1=O 1633799459 ONRVPOILPYVSJE-ZDUSSCGKSA-N 378.385 -0.219 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn(C)c1=O)C2 1793340559 ZMOOMUJWOUKQPE-MPTYRVRUSA-N 387.436 -0.373 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)OC)C2 1797709401 FEFRTWCCMZIKOU-QVHKTLOISA-N 383.445 -0.495 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)C(=O)C(=O)O)C2 1798397861 OAMPEPZWQAGOCI-CRWXNKLISA-N 395.456 -0.259 30 20 GBED CCOc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cn1 1800773481 NKYSZFLNMCAHLZ-DPIQGUFMSA-N 388.380 -0.834 30 20 GBED C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O)[C@@H]1SC(=N)NC1=O 1801988298 GSZNIXXCVNGVAQ-QEGBUVANSA-N 392.437 -0.485 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064004 BVMHHKHISJOTNS-UGSOOPFHSA-N 380.445 -0.483 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1830064725 OVQFOBVSYSDTOS-LIRRHRJNSA-N 392.456 -0.481 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1831434200 SQIHYGXCKTZASE-RDTXWAMCSA-N 383.445 -0.830 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832379973 FNAFWOBFFLEUOJ-YVEFUNNKSA-N 398.485 -0.631 30 20 GBED Cc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)s1 1833805308 NGYBDWIMRJSGTO-QGZVFWFLSA-N 393.421 -0.390 30 20 GBED Cn1c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)cccc1=O 1835353937 GDPDCKDNMYIIPW-LJQANCHMSA-N 388.424 -0.241 30 20 GBED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1839646108 CEEVTGKPIGZWGP-PMXLPMHFSA-N 378.429 -0.214 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(NC(C)=O)c3)C2)C1 1839808649 XHEVZBQUJHBGOP-LJQANCHMSA-N 386.408 -0.257 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1839810390 VBSFSIQWPVOEBZ-NQIIRXRSSA-N 396.447 -0.158 30 20 GBED C[C@@H]1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042698 JBFGPJPBZLTSNW-SPYBWZPUSA-N 378.425 -0.033 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846459893 DPKCHJIEVWYNBV-UHFFFAOYSA-N 387.440 -0.603 30 20 GBED C[C@](C#N)(NC(=O)CN(CC(=O)N[C@](C)(C#N)C1CC1)S(C)(=O)=O)C1CC1 47613858 JTGHVANWTUTEAM-IAGOWNOFSA-N 395.485 -0.135 30 20 GBED C#CCSCCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 265842761 SRHUZPWHAZMDEM-UHFFFAOYSA-N 381.479 -0.097 30 20 GBED N#Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c(Cl)c1 275973459 VBYBWAQYZARMAP-SNVBAGLBSA-N 375.772 -0.681 30 20 GBED CCOC(=O)CO/N=C(/C(=O)Nc1cnc(OC)c(C(N)=O)c1)c1cc[nH]n1 278889181 ZFSAPVCSIABDEQ-LPYMAVHISA-N 390.356 -0.165 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CC[C@H](CS(C)(=O)=O)C1)c1cc[nH]n1 293710792 LUTBQXBNVSOTQP-KEVMXDQOSA-N 386.430 -0.413 30 20 GBED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 299054558 ZRIOMNQBBWPJMP-UHFFFAOYSA-N 383.408 -0.210 30 20 GBED CC1(C)[C@@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N 349466584 QORXJRGHTKBFEW-LBPRGKRZSA-N 378.476 -0.770 30 20 GBED Cc1nc(=NS(=O)(=O)CCCCS(=O)(=O)N2CC(C)(C#N)C2)n(C)[nH]1 349600930 DDXANJHTXVISTH-UHFFFAOYSA-N 390.491 -0.757 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@H]5O)CC2)c1 410745565 HIIFZVCCDBCDTE-HITLURFISA-N 381.436 -0.170 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](OCCN(CC)CC)C2)C1=O 471579842 CNXCEAHRZHUMAZ-AWEZNQCLSA-N 380.445 -0.078 30 20 GBED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CS(=O)(=O)CCO1 507903862 HYBBATVHJHCXJS-SECBINFHSA-N 375.384 -0.442 30 20 GBED COCCOCCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 569019209 HSWNTGYQVCPFPG-LBPRGKRZSA-N 391.471 -0.182 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N1CC[C@@H](Nc2ncccn2)C1 573608650 ACXJLCUHIQIAKB-GFCCVEGCSA-N 397.443 -0.242 30 20 GBED CCOC(=O)C[C@@H](CO)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 597675599 FSSCCDAHRDFZCF-ZDUSSCGKSA-N 383.426 -0.159 30 20 GBED CN(CCC#N)S(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)CCC#N)C1 599354036 SCUGRIFCXDZPMY-CYBMUJFWSA-N 392.507 -0.779 30 20 GBED CS(=O)(=O)Cc1nc(=NC(=O)N2CCN(c3cccc(C#N)n3)CC2)o[nH]1 613212100 IFDRYCTWMVHUSN-UHFFFAOYSA-N 391.413 -0.343 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)cc1 658456977 ZSZBVIVKURABAP-KGLIPLIRSA-N 395.437 -0.531 30 20 GBED COCCN1CCC[C@@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 729983116 LUVWLVMKEYQQGZ-CYBMUJFWSA-N 380.470 -0.048 30 20 GBED CCOC(=O)c1cnn(C)c1NC(=O)Cn1c(N)nc(-c2nn[nH]n2)c1C#N 736605125 DFASXBJPOVSRMR-UHFFFAOYSA-N 385.348 -0.934 30 20 GBED CCNC(=O)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767625535 BIOSNCMDFOPWQS-JTQLQIEISA-N 382.398 -0.386 30 20 GBED CCOC(=O)CON=C(C(=O)NCC(C)(C)NS(C)(=O)=O)c1cc[nH]n1 772247451 OIHVQBNTWXYMCF-UHFFFAOYSA-N 389.434 -0.863 30 20 GBED C[C@](C#N)(CC(=O)O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 819823600 VGGGDOLZBJEAFM-GOSISDBHSA-N 388.428 -0.034 30 20 GBED C=CCNC(=O)CNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 823919346 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377.441 -0.554 30 20 GBED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781098398 ZHJZIIHENHVIFO-FXAWDEMLSA-N 376.501 -0.134 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(C)=O)C2)C1 1783189988 RYVOZLOXAJSALU-HNAYVOBHSA-N 381.473 -0.084 30 20 GBED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)Cc3cscn3)[C@H]2C1 1787397129 SJXYBYOKXZQKKR-MXAVVETBSA-N 377.470 -0.094 30 20 GBED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)C2 1796044392 VFKPHCDITNGILA-QRJUGERDSA-N 377.489 -0.371 30 20 GBED Cn1ncc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)ccc21 1797086451 XPDSSZRXWCUEET-CCWDJLKJSA-N 396.403 -0.136 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2 1797708270 NRWQCWQXWPXEMN-HLPPOEQASA-N 377.445 -0.559 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CN(C)C1 1801558431 FEFICNLDZMFBLZ-SCAQPMJSSA-N 379.457 -0.353 30 20 GBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cc(C)on1)C2 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GBED CCS(=O)(=O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 330510299 APDQRAUMWFQFME-UHFFFAOYSA-N 385.467 -0.174 30 20 GBED CC(C)N1CCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)CC1=O 349507427 VEERRKQLPMYFSQ-UHFFFAOYSA-N 392.503 -0.766 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2CN(C)C[C@@H]2C1 349618920 ORJIQCYCDGBIMS-MELADBBJSA-N 378.520 -0.579 30 20 GBED C=CCN(CC(=O)OCC)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 371469532 UFINMPXDCHLOCY-LBPRGKRZSA-N 385.442 -0.270 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3CCCO[C@@H](CN)C3)CC2)c1C#N 423703910 CVNSZNHKLWNKQZ-ZDUSSCGKSA-N 392.485 -0.452 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCc1nc(O)n[nH]1 487942434 JGBYLCXYWIISFI-SNVBAGLBSA-N 378.414 -0.202 30 20 GBED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NCC)CC1 508825036 JFUPGHGUFJXGGG-CYBMUJFWSA-N 399.521 -0.668 30 20 GBED N#C[C@@H]1CN(C(=O)NCCCN2C(=O)CNC2=O)C[C@]12C(=O)Nc1ccccc12 514033349 SKCUEFFVSAETOR-BLVKFPJESA-N 396.407 -0.017 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)c1 518204736 LWBFUWZXTWEUCK-ZDUSSCGKSA-N 387.483 -0.085 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCN2CCCO)c1 564167734 BPRYFQFZJNRZPU-OAHLLOKOSA-N 380.470 -0.200 30 20 GBED COC(=O)[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)C(C)C 594626753 JYPOIBJZNGUBGJ-ZDUSSCGKSA-N 389.455 -0.036 30 20 GBED C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ncc(C#N)s1)C(C)(C)O 594637550 UIFIZQHDKGGRON-SECBINFHSA-N 396.516 0.225 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CC(=O)OCC)C(F)(F)F)C1=O 598051451 KZIUGPJDZUKGMW-MRVPVSSYSA-N 379.291 -0.037 30 20 GBED CC[C@H](CCNS(=O)(=O)N(C)CCC#N)NS(=O)(=O)N(C)CCC#N 603631740 RZCHLBSSQWVYRE-CYBMUJFWSA-N 394.523 -0.485 30 20 GBED C[C@H](CC(=O)N1CCN2C(=O)NC[C@@H]2C1)/N=C1/NS(=O)(=O)c2ccccc21 752752755 NFMLEVISAJNVIG-VXGBXAGGSA-N 391.453 -0.260 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N(CCCOC)[C@@H]1CCS(=O)(=O)C1 783305415 HVXYQHIMDQWZOD-CYBMUJFWSA-N 382.504 -0.178 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 783348305 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1117355236 SGTZJHPTKKKIHE-UHFFFAOYSA-N 391.432 -0.407 30 20 GBED C#CCOCCNC(=O)C(=O)N(C)CCN1CCN(C(=O)OC(C)(C)C)CC1 1117436012 BQFUZSDKGZONHT-UHFFFAOYSA-N 396.488 -0.237 30 20 GBED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)N1CC[C@@](O)(CC#N)C1 1118213529 AGTKCSFQLBCQCH-KRWDZBQOSA-N 381.400 -0.259 30 20 GBED C=C(C)CN(CC)C(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1C[C@H]1C(N)=O 1218638294 DEVKKFQORSQYJW-FXUDXRNXSA-N 378.473 -0.556 30 20 GBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 1219992128 BZPNMNLOKCIYLQ-DLRJPAPCSA-N 383.448 -0.363 30 20 GBED N#Cc1ccc(CS(=O)(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1248644305 LUNVEKSWIZFIAJ-AWEZNQCLSA-N 385.467 -0.329 30 20 GBED CN1CCC[C@@H](CN(C)C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1258383199 MQJYCLGITYUTLM-UWZWCOGJSA-N 377.445 -0.571 30 20 GBED N#Cc1ccc(N2C[C@@H](C(=O)NCC(=O)NCCN3CCOCC3)CC2=O)cc1 1318692841 DNYFOPXJIIHBAZ-INIZCTEOSA-N 399.451 -0.524 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCc2nncn2C)cc1 1346564813 DOSBYHCLAHGDPT-UHFFFAOYSA-N 384.443 -0.562 30 20 GBED CS(=O)(=O)NCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1555819665 UASWPGHCRHPFGV-AWEZNQCLSA-N 391.457 -0.458 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCC[C@H]2CS(N)(=O)=O)CC1 1560072555 NWXDURMACKTRBT-JKSUJKDBSA-N 385.534 -0.178 30 20 GBED C=CCOCCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O 1573349140 ZHPPPHKSVAYYPI-OCCSQVGLSA-N 388.432 -0.305 30 20 GBED C#CCNC(=O)CC(=O)N1CCC2(CC1)C[C@H]2NC(=O)CCCc1cnn[nH]1 1575004233 BLFTVFJYKUVLPS-OAHLLOKOSA-N 386.456 -0.236 30 20 GBED C#CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)CCCCc2cnn[nH]2)CCCO1 1575004292 DFYVYDGXIROMPX-DOTOQJQBSA-N 390.488 -0.138 30 20 GBED CN(C(=O)c1c[nH]c(C#N)c1)C1CN(C(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1576734383 UGRFHSWNJKCZKY-INIZCTEOSA-N 382.428 -0.048 30 20 GBED N#Cc1cc(F)c(C(=O)NCCn2cc(-c3nn[nH]n3)c(O)nc2=O)c(F)c1 1581866627 MWJFGZIPIPWXHV-UHFFFAOYSA-N 388.294 -0.291 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1nccnc1-c1nn[nH]n1 1588351171 HPIURQBCQXDAKF-IHRRRGAJSA-N 379.428 -0.456 30 20 GBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O 1588377431 XBZBAGBXZKBSEQ-CABCVRRESA-N 390.407 -0.454 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 1592666497 ZKQFHCOLJQGWPT-CHWSQXEVSA-N 375.414 -0.562 30 20 GBED N#CCSCC(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[nH]n2)cn1 1592679086 FLQZKLGRMQAQBZ-SNVBAGLBSA-N 375.418 -0.765 30 20 GBED C#CCN(C(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O)C1CCN(C)CC1 1602714182 LXVOLYKDKOBFSG-UHFFFAOYSA-N 386.416 -0.925 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)Nc1cc(-c2nn[nH]n2)nc(CC)n1 1602886611 UOFVIXKDNVBJRE-LOWVWBTDSA-N 388.432 -0.301 30 20 GBED Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)N[C@@H]3CCCN(O)C3=O)CC2)o1 1606020522 ZZQIDQXJJMTWGE-LLVKDONJSA-N 390.404 -0.124 30 20 GBED CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2C(=O)O)CC1 1606233309 KTENENNPWWIOPI-UHFFFAOYSA-N 380.426 -0.349 30 20 GBED N#CCCN(CCC#N)C(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1606348125 LOZSKHKJSYNOKX-UHFFFAOYSA-N 388.413 -0.199 30 20 GBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2 1783052570 ASCJCSLUULWXLK-LJQANCHMSA-N 395.456 -0.009 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3c1CCCC3)CCO2 1783562112 CMWDMAHANMIZAA-IBGZPJMESA-N 386.408 -0.180 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCSC)C2 1793346479 BPBKVINHXFUSJG-RBZJEDDUSA-N 384.498 -0.272 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncccn1 1794815157 MSLIKGMIZUYWTR-QDMKHBRRSA-N 386.456 -0.038 30 20 GBED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(O)C1)C2 1797810003 JVQKPUNFVINMCP-GDGBWGNFSA-N 395.456 -0.124 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)CCn2cncn2)[C@H]1c1cccnc1 1813321903 QCPUDALFEVEYDJ-DNVCBOLYSA-N 396.407 -0.143 30 20 GBED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)n1cnnn1 1830063932 AZJRLPSWPGKKNB-CXAGYDPISA-N 391.432 -0.760 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN(C)C)C2)C1 1831424918 OAIMJLKJOLYTLM-APWZRJJASA-N 383.489 -0.014 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccno3)CCO2)C1 1834146369 RGIPXZRCYRKHEG-KDOFPFPSSA-N 377.397 -0.217 30 20 GBED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)n1ccccc1=O 1834761360 ZLPAAOIEVCOSHK-HNAYVOBHSA-N 388.424 -0.221 30 20 GBED CN(C)C(=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835098801 QNVRPJJRDYSRQV-NRFANRHFSA-N 399.447 -0.417 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1835698603 GJGGFVGIFFEEMN-HKUYNNGSSA-N 387.440 -0.158 30 20 GBED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1839887116 VKNAKGHZTMLOBH-MRXNPFEDSA-N 389.399 -0.210 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1840170521 LNJOZLSTGRPVAN-IBGZPJMESA-N 389.456 -0.072 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](O)NC(=O)OCC)C2 1844237512 VTQCLRPHURLSGA-OLZOCXBDSA-N 383.445 -0.173 30 20 GBED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)c1 1844893814 BEVJZRHJIUOHKT-AWEZNQCLSA-N 381.392 -0.027 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 180541240 QGNPRFKFDMZULQ-NSHDSACASA-N 395.427 -0.667 30 20 GBED C[C@H](O)C(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 270783701 APOGWXIVJCGJTG-STQMWFEESA-N 394.453 -0.723 30 20 GBED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 349472971 XUHWNTSKIRVJPY-SOUVJXGZSA-N 392.547 -0.190 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CC(=O)N(C)C[C@H]1C 349608078 GHKNEASYKKJQKC-QWHCGFSZSA-N 394.519 -0.567 30 20 GBED CN1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N[C@@]2(C#N)CC2(C)C)CC1=O 349610970 DWUGANOWDQEKFY-SMDDNHRTSA-N 392.503 -0.862 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 371606902 GNTBDDUXBHZVII-UHFFFAOYSA-N 389.456 -0.865 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)C1=O 410120143 PBZQSTANFCPMNS-HNNXBMFYSA-N 396.469 -0.106 30 20 GBED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 415610987 WVTBNOXYVJNKDI-AWEZNQCLSA-N 385.424 -0.072 30 20 GBED CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1 508942468 QMQNDTLTJNWCAI-UHFFFAOYSA-N 395.441 -0.590 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCOC(F)F)CC2)c1C#N 521116790 XSCBBMBVJKMFTK-UHFFFAOYSA-N 384.387 -0.006 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCc4n[nH]cc4C3)CC2)c1 550889821 DXFVYBUBBZZGOG-HNNXBMFYSA-N 379.424 -0.001 30 20 GBED Cn1ccnc1[C@@H]1CNCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 567916616 AVMIYLVWNWLLMJ-HNNXBMFYSA-N 388.453 -0.257 30 20 GBED C=CCn1c(-c2cn(C)nn2)nnc1N1CCN(CC(=O)NCCOC)CC1 669038633 RISADMXTJYVLMY-UHFFFAOYSA-N 389.464 -0.856 30 20 GBED C=CCN(C(=O)COc1ccc(S(N)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 677497107 FALMKKQAUREQNG-LBPRGKRZSA-N 388.467 -0.086 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 728572725 BKAVHILWKMUHKZ-UHFFFAOYSA-N 397.479 -0.116 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)c1cc(OC)c(S(N)(=O)=O)s1 754170042 XJVBUBRYBZFAFT-UHFFFAOYSA-N 377.400 -0.427 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCN2C(=O)CNC2=O)C1 758496627 OZOYEYPTEGCEGM-QWRGUYRKSA-N 380.405 -0.404 30 20 GBED CNS(=O)(=O)c1ccc(-c2ccc(C=NNC3=NC(=O)C(=O)N3)o2)cc1 765595338 JDLIBDJCULDFIH-UHFFFAOYSA-N 375.366 -0.209 30 20 GBED C#CCNC(=O)CN1CCN(c2ncc(I)cn2)CC1 766075656 DUIZBTPRWPEJCK-UHFFFAOYSA-N 385.209 -0.047 30 20 GBED N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CCC1 771079685 WOSGUFMMRKVOER-CDGCEXEKSA-N 377.422 -0.067 30 20 GBED CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1c(C)nn(C)c1C 771896540 BXNHNRLVRBKDCT-UHFFFAOYSA-N 382.446 -0.473 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCC[C@H](S(C)(=O)=O)C1)c1cc[nH]n1 772549571 SCVIKQPQXIASFO-NSHDSACASA-N 386.430 -0.271 30 20 GBED CNC(=O)[C@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 782088989 OPQAHUSARKCEGU-GFCCVEGCSA-N 380.426 -0.911 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1)[C@@H]1CCCO1 809309723 QWJNSQQMGSBILO-GJZGRUSLSA-N 397.439 -0.691 30 20 GBED C#C[C@H](NC(=O)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CCCO1 809312009 KEOQPHQMBBHPJM-TUAOUCFPSA-N 375.347 -0.095 30 20 GBED C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cncc(OC)n1 848959139 BCAGKUMYLXNYRK-LLVKDONJSA-N 376.460 -0.100 30 20 GBED C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1cc(N(C)C)ncn1 848965213 LCIYFZMFFQTZAT-NSHDSACASA-N 375.476 -0.385 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)CC1 874382656 KAFYNKUPWLGOBZ-OLZOCXBDSA-N 388.390 -0.415 30 20 GBED COC(=O)CNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 913242321 BWWRLZQBVGJHMF-JTQLQIEISA-N 383.382 -0.943 30 20 GBED C#CC1(O)CN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 934446337 HRURYYBXHZZQIQ-UHFFFAOYSA-N 393.465 -0.996 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1OC 946819748 HXVCKVJPKRPAIQ-APIJFGDWSA-N 393.440 -0.541 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)CCc3cnn(C)n3)C[C@@H]21 960974618 JTDUKNUIAPLPQQ-LTIDMASMSA-N 389.456 -0.223 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(OCC)cn2)C[C@@H]1O 970711744 MFHXVFJABKBOTP-RZFFKMDDSA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 1024261069 GSQNOVFGXYLBAR-GBOPCIDUSA-N 378.429 -0.994 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CC(=O)NCC)[C@H]2CS(=O)(=O)C[C@H]21 1108482009 PRXXRTMRNAKUHU-BARDWOONSA-N 385.486 -0.977 30 20 GBED C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC(=O)N1CCCC1 1109065647 NJEQUBDROFMMOI-PMPSAXMXSA-N 378.473 -0.351 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc(-n2cnnn2)cc1 1110073292 PMJHFWZDIYYOJM-IKGGRYGDSA-N 379.424 -0.253 30 20 GBED N#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)n1 1130223398 RKKPUZDBSDRFPB-SMSYFYOWSA-N 390.444 -0.542 30 20 GBED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C(=O)NCCCCC#N 1322763891 GFOLJXORYOAYNM-UHFFFAOYSA-N 396.469 -0.274 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1323262100 OTBHSLKDMQHIFN-IAGOWNOFSA-N 392.500 -0.409 30 20 GBED COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 1326561295 MDRNUZQSXKDRHY-HUUCEWRRSA-N 393.444 -0.084 30 20 GBED C=CCN(C(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)[C@H](C)COC 1327436204 JKEACEHIJKWNGZ-KZULUSFZSA-N 380.445 -0.127 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 1327473328 LMGJZSCUDAPHIE-UHFFFAOYSA-N 379.457 -0.418 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 1330470522 LFVKDMUTXPJFRO-QGZVFWFLSA-N 380.489 -0.993 30 20 GBED C=CCn1c([C@@H]2CC(=O)N(CC)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1340379915 JKZUIJHQPVJCFM-CYBMUJFWSA-N 382.490 -0.119 30 20 GBED CC(=O)NCC(=O)N1CCCN(c2nnnn2CC#Cc2ccccc2)CC1 1344381290 JYOYXPAEVAOVGI-UHFFFAOYSA-N 381.440 -0.100 30 20 GBED CN(CCF)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1344630817 GMJXRYZJJHYJIR-UHFFFAOYSA-N 382.417 -0.181 30 20 GBED C=C(CNC(=O)[C@@H](C)CS(C)(=O)=O)CNC(=O)[C@@H](C)CS(C)(=O)=O 1351104877 CLEQSPVROGGXOF-RYUDHWBXSA-N 382.504 -0.864 30 20 GBED C=CCn1c([C@@H](C)S(C)(=O)=O)nnc1N1CCN(CC(=O)N(C)C)CC1 1356073291 CPMNQKDVIPFGFH-CYBMUJFWSA-N 384.506 -0.220 30 20 GBED C#CCNC(=O)CN1CC[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC[C@@H]21 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C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCC)C2)C1 1839174773 WFADRMWWQWAZLY-LJQANCHMSA-N 398.456 -0.011 30 20 GBED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1840292520 WBMZJWQOAGIOOY-GOSISDBHSA-N 379.461 -0.881 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1840421314 OLKQSCMXISWWBE-XEZPLFJOSA-N 383.474 -0.386 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1840840965 WLIMBEHLLPRASY-GOSISDBHSA-N 380.445 -0.873 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O 292475762 VKLVUUAHHPTFAT-CYBMUJFWSA-N 383.364 -0.090 30 20 GBED CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 297870538 UBHQVZLDLHEGAQ-IFXJQAMLSA-N 385.424 -0.082 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)c1 369294806 SGOSMGSDVHVPLZ-OAHLLOKOSA-N 399.494 -0.248 30 20 GBED N#Cc1cccc(N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@@H]5O)CC2)n1 410751587 XJZVESUJOCBZIH-DETOBHCWSA-N 381.436 -0.170 30 20 GBED Cn1cc([C@@H]2CN(C(=O)C(=O)NCCOc3ccc(C#N)cc3)C[C@H]2N)cn1 424532023 XLYCSHOEIAODGC-DLBZAZTESA-N 382.424 -0.260 30 20 GBED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N[C@@H](CO)CN2CCOCC2)c1 425288598 BSUTXFKNCCUHQR-MSOLQXFVSA-N 386.452 -0.141 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3CCCC[C@H]3C(N)=O)n2)cc1 440956468 YJOPCLSKUAKKSR-HUUCEWRRSA-N 395.423 0.297 30 20 GBED Cn1cc(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 471662538 LRYMURNBZZYJBO-UHFFFAOYSA-N 391.409 -0.265 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nc(N(C)C)no1 505896356 QVYOYIYNWURRAO-JTQLQIEISA-N 378.414 -0.010 30 20 GBED CC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)C#N)cc1)C(N)=O 515071751 DUJLFGDZBHJKOP-GFCCVEGCSA-N 388.471 -0.191 30 20 GBED COC(=O)c1cccc(CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1C#N 534292205 KXKVRLFQZDASDK-IAGOWNOFSA-N 393.465 -0.380 30 20 GBED C[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 563426150 GSZPHQJOULDCPT-CHWSQXEVSA-N 398.466 -0.132 30 20 GBED CN1CC[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)C1=O 571537574 KQBAIPCXOLOYTP-LLVKDONJSA-N 386.455 -0.660 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CC)C(N)=O)cc1 581200710 RPFFHQGGICNOFM-GXFFZTMASA-N 388.471 -0.191 30 20 GBED COCCOC[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 584850387 PJDWOSCSEOHLQX-GFCCVEGCSA-N 391.471 -0.182 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 728572454 FGUUDSUBFUKHPV-UHFFFAOYSA-N 397.479 -0.116 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1 738428306 LLJBBBNPKPZSRT-UHFFFAOYSA-N 381.410 -0.070 30 20 GBED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)OCC(=O)NCCC#N)cc1 745433445 IUAOICUGKPYITJ-UHFFFAOYSA-N 381.410 -0.265 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)CS[C@H]1CCS(=O)(=O)C1 749370670 MXYNYZUGHOQMSJ-AWEZNQCLSA-N 375.516 -0.019 30 20 GBED C#C[C@@H](NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)[C@@H]1CCCO1 776234327 LAPRCGLLFFUKPA-KGLIPLIRSA-N 376.413 -0.830 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@@H](N3CCOCC3)C[C@@H]2C)c1=O 795687519 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C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1103431423 AUPSQEOERXLWET-VQHPVUNQSA-N 392.500 -0.554 30 20 GBED C=CCNC(=O)CN1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)nn2)C1 1107185052 HJFCFRUQSAWDMX-OCABDXPQSA-N 386.456 -0.523 30 20 GBED CCC(=O)N1CCC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)C1 1109314746 XJLSQIOTRGKEKZ-WCVJEAGWSA-N 375.473 -0.004 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(C)(C)C(N)=O 1109424967 BYFHTFDSILGRLD-NDBYEHHHSA-N 379.461 -0.380 30 20 GBED C=CCOCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1129065478 XBVYWDVRHHFRQE-WCXIOVBPSA-N 378.477 -0.459 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N[C@@H]1CCN2CCCC[C@@H]12 1322255851 XAILPFZKUIRZMW-JJLJGCLUSA-N 375.429 -0.628 30 20 GBED C=CCNC(=O)CNC(=O)N1CCC(C(=O)OCC)(S(C)(=O)=O)CC1 1322579085 PYOQNYIAOUPWID-UHFFFAOYSA-N 375.447 -0.560 30 20 GBED CN1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 1323306579 ZJGNMMOWHDFWBM-GJZGRUSLSA-N 383.408 -0.878 30 20 GBED C#CCOCCNC(=O)C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C 1323700090 QKQYSYPTFQHGNZ-UHFFFAOYSA-N 395.481 -0.103 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)C(=O)NCC(=O)NCC3CC3)CC2)nc1 1326378812 SJEGZUXRFUTFME-UHFFFAOYSA-N 384.440 -0.319 30 20 GBED C=CCn1cc(CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)nn1 1327997472 SPEOJIJNJQUAKB-GFCCVEGCSA-N 380.430 -0.754 30 20 GBED CON(C)C(=O)C1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1330511824 UWLPTMXIOLQGSQ-OAHLLOKOSA-N 377.445 -0.556 30 20 GBED CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCn1cnc(C#N)cc1=O 1332402574 WOGBCWGEWNABFQ-UHFFFAOYSA-N 396.450 -0.161 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC3(CC2)C[C@@H](O)CCO3)C1=O 1335544369 RRVMKEHLDQTLNP-LSDHHAIUSA-N 379.457 -0.236 30 20 GBED C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1)c1cccc(C#N)c1 1338592121 JZRDQTKWSWGEIQ-CYBMUJFWSA-N 393.469 -0.314 30 20 GBED C=CCn1c(CN2CCC(O)CC2)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1338958521 XSSCRGAERLETJM-GJZGRUSLSA-N 376.461 -0.486 30 20 GBED C#CCN1CCC(OC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 1344372760 DLBHMVKVBRBNGX-ZDUSSCGKSA-N 381.454 -0.207 30 20 GBED C#Cc1ccc(C(=O)NC[C@H]2COCCN2c2cncc(-c3nn[nH]n3)n2)cn1 1573288776 TZNBVQSKGXYWSZ-AWEZNQCLSA-N 391.395 -0.332 30 20 GBED C#CCNC(=O)CN(C)CC1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1588354309 KSBVKHOPUFJWSG-UHFFFAOYSA-N 384.444 -0.272 30 20 GBED C#CCOCCC(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 1588362292 YXMUGYVNVZQPFL-QGZVFWFLSA-N 386.416 -0.592 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCO[C@H]1C(=O)O 1593339245 JWSZJCGHSSQUKS-ZKYQVNSYSA-N 381.410 -0.169 30 20 GBED C#CCOCCC(=O)N1CCCO[C@@H](CNc2cnc(-c3nn[nH]n3)cn2)C1 1602727786 SDVABQIBPYRFOR-ZDUSSCGKSA-N 386.416 -0.274 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1O 1602886976 YIILRMWOVSGZLB-ZZVYKPCYSA-N 387.400 -0.913 30 20 GBED N#Cc1nc(N)n(CC(=O)N2CCN(Cc3cccs3)CC2)c1-c1nn[nH]n1 1606389000 JBHSQHQTFGPQTD-UHFFFAOYSA-N 398.456 -0.077 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC(C)=O)CCO2)C1 1778973331 ISVIWFADYQIQGZ-ZUEVXXBESA-N 381.473 -0.086 30 20 GBED N#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)N2CCOCC2)C1 1779414086 XBUOCZNATJFNSQ-ATZDWAIDSA-N 394.472 -0.545 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4ccnn34)C2)C1 1782227908 PEZPGRBHCMDPTA-LJQANCHMSA-N 382.376 -0.134 30 20 GBED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nc(N)n[nH]3)C[C@@H]21 1791261858 HAIJJVBNXXHLBV-RHYQMDGZSA-N 382.490 -0.383 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3ccnn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c3ccncn3)C2)C1 1831391669 FDWRPRHPSHWODY-BEFAXECRSA-N 388.424 -0.415 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(OC)OC)C2)C1 1831418973 IVQRJJJEIYXNRY-RDTXWAMCSA-N 386.445 -0.347 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1831484834 GMZJJSJXMYOSIQ-YOEHRIQHSA-N 397.501 -0.161 30 20 GBED Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834765347 DNWYYQVULRMLHO-SFHVURJKSA-N 375.429 -0.061 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835698605 GJGGFVGIFFEEMN-MJGOQNOKSA-N 387.440 -0.158 30 20 GBED C[C@@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839160161 OKLWGJPGSXYJBB-UTKZUKDTSA-N 399.447 -0.371 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1840159962 SHDVHDGMNXRNJX-CXAGYDPISA-N 385.486 -0.617 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN(C)C(C)=O)C2)C1 1840840242 HMKKLOMOJODERR-LJQANCHMSA-N 379.457 -0.275 30 20 GBED O=C1CC[C@@H](C(=O)N2CCCC23CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)N1 1842736592 XPMWTOBKKDLZHA-YFIZATLZSA-N 378.429 -0.003 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)C[C@@H](NC)C(=O)O)C1 1842952334 NSZKZPQLSIVHAJ-CYBMUJFWSA-N 381.429 -0.238 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H](O)COc2ccc(C#N)cc2)c1=O 31584799 QQDIZHXAVZHZBX-HNNXBMFYSA-N 384.392 -0.145 30 20 GBED CCS(=O)(=O)NCCCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 51447026 QUUWOFTTXNZGOF-UHFFFAOYSA-N 387.483 -0.081 30 20 GBED COC[C@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 269573991 IXGLHSBRGLXMTH-INIZCTEOSA-N 380.426 -0.534 30 20 GBED Cc1cc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1C#N 277812458 IDFQMEPJXZEOQR-ZDUSSCGKSA-N 385.467 -0.210 30 20 GBED N#Cc1cncn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1=O 289321337 GEYRSULYQZMNFR-UHFFFAOYSA-N 387.421 -0.352 30 20 GBED COC(=O)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 298098190 KFJOAOOEFAUHSK-LBPRGKRZSA-N 383.382 -0.943 30 20 GBED Cn1cc(CN2CCN(/C(O)=N/[C@H]3CCCN(S(C)(=O)=O)C3)CC2)cn1 329137670 DJBIHDDLXQAQAK-HNNXBMFYSA-N 384.506 -0.124 30 20 GBED CC/N=C(/O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 331122112 MPORMSPCOOBTHN-NSHDSACASA-N 386.478 -0.527 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC)C1 366722193 UCGYHYFSTXUXBP-GFCCVEGCSA-N 383.401 -0.074 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cc(C(N)=O)no1 426777970 SGGVNFHYPZKDPE-SECBINFHSA-N 377.382 -0.372 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C[C@H](CO)O1 460074862 HHBQJTATAYRBPW-UKRRQHHQSA-N 390.415 -0.046 30 20 GBED CS(=O)(=O)c1ccc(OCCNC(=O)NCCn2cnc(C#N)n2)cc1 493860520 FNTQCNYSHAUIRN-UHFFFAOYSA-N 378.414 -0.069 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@H]4COC[C@@H](C3)O4)n2)c(F)c1 577752055 FZCXVRUVNCKPIE-BETUJISGSA-N 385.355 0.448 30 20 GBED Cn1[nH]cnc1=NS(=O)(=O)c1ccc(S(=O)(=O)NCCCC#N)cc1 581261025 MLDKHEVEMNUYKX-UHFFFAOYSA-N 384.443 -0.380 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)NCCCN2CCNCC2)CC1 595281959 NMHHLNVRAWMZEJ-UHFFFAOYSA-N 390.513 -0.320 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)NCCOC)c1 627626564 FSYRDWVZYNHGPG-AWEZNQCLSA-N 397.453 -0.560 30 20 GBED O=C(NCC#CCNC(=O)c1cnn2c1OCCC2)c1cnn2c1OCCC2 645972104 BPTKWDJVKMIQGF-UHFFFAOYSA-N 384.396 -0.192 30 20 GBED Cc1cc(C)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC#CCO)c(C)c1 655058142 YFFYUPVJHJGPSZ-HOTGVXAUSA-N 380.466 -0.152 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)C1=O 733158960 VDBZMYQQVNFIJQ-AWEZNQCLSA-N 378.429 -0.277 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCS(=O)(=O)[C@H](C)[C@@H]2C)c1=O 736288896 MBBOICAVWYUAGT-QWHCGFSZSA-N 384.458 -0.991 30 20 GBED O=C1NC(=O)C2(CCC(=NNC(=S)NCCCN3CCOCC3)CC2)N1 758093610 AHIDMDBVEMHZCU-UHFFFAOYSA-N 382.490 -0.319 30 20 GBED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H](CO)NC(N)=O)c1 765472644 YLEMIFXKRHXZEA-MCMJHOFTSA-N 383.430 -0.533 30 20 GBED C[S@](=O)CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 805000300 QQGFOIULYNXPTR-PTFIGZPYSA-N 376.438 -0.730 30 20 GBED C#C[C@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C2CCN(C)CC2)C1)[C@H]1CCCO1 809305404 CIAJZZICWDJBGY-FGTMMUONSA-N 376.501 -0.090 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCN(C)C)cc1 848943629 SEGDJWKQAZRCPT-UHFFFAOYSA-N 384.483 -0.326 30 20 GBED Cn1cc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(C#N)cc2)cn1 919131157 ZKILCISLFLWDQX-UHFFFAOYSA-N 377.382 -0.248 30 20 GBED Cc1csc([C@H](C#N)C(=O)COC(=O)CNS(=O)(=O)c2cnn(C)c2)n1 919131169 ZTCZQMMWLBVYAL-LLVKDONJSA-N 397.438 -0.117 30 20 GBED C=CCN(CC(=O)OCC)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 921296967 WPDUCNKWTHPHML-UHFFFAOYSA-N 377.401 -0.599 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@@H]1O 964615550 YLLAPUCAJUSCAJ-MQYQWHSLSA-N 377.397 -0.339 30 20 GBED Cn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2ccc(C#N)[nH]2)c(O)nc1=O 996103186 HTXOELDRNYAKSC-SWHYSGLUSA-N 382.380 -0.139 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccnc2C(N)=O)C[C@H]1O 1023942476 YPGRCPITULODNL-NHIYQJMISA-N 388.424 -0.537 30 20 GBED CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N)N1CCCC1=O 1111502459 HGKGSDPFUSUCGK-BSXFFOKHSA-N 375.473 -0.005 30 20 GBED COCC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1130302039 NNJIJKCIURERIH-HPFXQQBRSA-N 390.484 -0.767 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCc1ccc(OCC(N)=O)c(OC)c1)[C@H]1CCCO1 1257241693 NBFOGLYXBTWHEG-ZIAGYGMSSA-N 389.408 -0.528 30 20 GBED CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3cc(C)nn3CCC#N)CCN2C1=O 1324219909 QLKLYIKEWFAOGE-GFCCVEGCSA-N 387.400 -0.461 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 1324838991 WXJJYBYRLODILN-ZNMIVQPWSA-N 388.486 -0.254 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)C1 1327039757 DOLHJFFDJJTQQF-IAQYHMDHSA-N 390.362 -0.219 30 20 GBED CCO[C@H]1C[C@H](O)C12CCN(C(=O)C(=O)N1CCN(CCC#N)CC1)CC2 1329395314 GIZSYBXHHRQVSF-HOTGVXAUSA-N 378.473 -0.177 30 20 GBED CN(C)C(=O)CN1CCN(c2nnc(-c3cn(CCCC#N)nn3)n2C)CC1 1344869277 ATIBSJVYWYSRDT-UHFFFAOYSA-N 386.464 -0.412 30 20 GBED Cn1nc(Br)cc1C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1515130484 IXHIZYOIXWRERH-MRVPVSSYSA-N 389.231 -0.238 30 20 GBED C#CCC(C)(C)c1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1C 1520069187 XKJAQLQCNJPKQP-UHFFFAOYSA-N 386.460 -0.417 30 20 GBED C=CCOCCNCC1(O)CCN(C(=O)[C@@H]2CCCN2Cc2cnn[nH]2)CC1 1575110733 ZOCAAONLBYZBDI-KRWDZBQOSA-N 392.504 -0.085 30 20 GBED O=C(Cn1cncn1)N1CCC(N(Cc2cnn[nH]2)C(=O)C#CC2CC2)CC1 1577968957 JRJFKHOFYJHDQR-UHFFFAOYSA-N 382.428 -0.171 30 20 GBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588354429 MUZLWQOOJPHDCO-GHMZBOCLSA-N 386.416 -0.653 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)N1CCO[C@H]([C@@H](C)N)C1 1588635101 DBMLTKOPEIESBR-CJNGLKHVSA-N 399.455 -0.044 30 20 GBED COCC#CCn1c(=O)c(-c2nn[nH]n2)cn(CC(=O)OC(C)(C)C)c1=O 1591363850 HMSXRJBPVZTKAG-UHFFFAOYSA-N 376.373 -0.818 30 20 GBED N#Cc1ncn(CCNC(=O)N2CC(Oc3ccc(-c4nn[nH]n4)cc3)C2)n1 1592710392 WZZSCBSWZJFPAO-UHFFFAOYSA-N 380.372 -0.197 30 20 GBED C#CCOCCC(=O)NC[C@@H](CO)Nc1nc(-c2nn[nH]n2)c(Cl)s1 1602729200 JICJEHBGWGIOLD-QMMMGPOBSA-N 385.837 -0.095 30 20 GBED C[C@H](CC(=O)N1CCC[C@H](O)[C@@H]1C(=O)O)/N=C1/NS(=O)(=O)c2ccccc21 1604064718 JLNAZJDTQNGXQH-IFUGULHKSA-N 395.437 -0.060 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1780432372 QRIVAINFOVMWOI-AUUYWEPGSA-N 390.440 -0.090 30 20 GBED CN1CCC[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C1 1780576769 QXNJZQCMIHJMNU-JXXFODFXSA-N 391.468 -0.070 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1781395447 IKTRGQPVSXBIOO-WMLDXEAASA-N 378.433 -0.091 30 20 GBED C[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788660993 TWNCHPSXYMNATQ-ZDKJJRPJSA-N 383.445 -0.124 30 20 GBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NS(=O)(=O)CC 1793316260 JCAHPJWZDQBPRK-HGTKMLMNSA-N 385.486 -0.683 30 20 GBED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2 1793352762 KKGJDTWLOYSOJF-PNBKFKSVSA-N 392.460 -0.194 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(C)=O)C2 1793822316 RUSFJWVWHOHUJL-JYYAWHABSA-N 399.513 -0.354 30 20 GBED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2 1797740444 KICZSFNDZYJMFX-QOOYEKLDSA-N 393.444 -0.844 30 20 GBED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(C)=O 1797968994 QWCHZXQEPOMRGE-SFNKJDCFSA-N 393.484 -0.079 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COC(=O)C(F)(F)F 1798345045 KTYCDGUXGUQYRM-ILWJIGKKSA-N 376.287 -0.182 30 20 GBED N=C(N)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798494734 KDSHJAFSTRVSQR-DHWHFISLSA-N 380.449 -0.363 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cn[nH]c3cn1)C2 1800777509 XEOUZRMMAYKKCA-DPIQGUFMSA-N 383.364 -0.751 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/OCC 1801185450 TVEJJGSLCALGPE-ZBKQYVFLSA-N 377.441 -0.015 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cc(O)n[nH]2)[C@H]1c1cccnc1 1807290535 WLBHMMYYTQKDNU-SJKOYZFVSA-N 383.364 -0.082 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1831485667 IFQOZCLXCAXTDS-DYVFJYSZSA-N 397.501 -0.161 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1834763797 ZBELEJOKDINWAJ-INIZCTEOSA-N 377.357 -0.093 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835066438 ZCVPKVXIQKIRSB-JKSUJKDBSA-N 385.578 -0.202 30 20 GBED CN1CCN(CC(=O)NC2CCN(C3CCN(C(=O)CC#N)CC3)CC2)CC1 1835481357 SRYWGPVGNZYCIJ-UHFFFAOYSA-N 390.532 -0.281 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H](C(=O)OC)C3)C2)C1 1839805255 GBSRNUUCDNQZMY-SPYBWZPUSA-N 378.425 -0.335 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1839810922 YDDXOKZZTRTGRH-AUUYWEPGSA-N 395.456 -0.011 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](C)CS(C)(=O)=O)C1 1841615957 SBOSLSIVPAJRLJ-AFNCTOJWSA-N 397.497 -0.271 30 20 GBED CC(C)CNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 22719565 MWRWXOVUAQTIRC-UHFFFAOYSA-N 396.425 -0.138 30 20 GBED CN(C)CCCN(CCC#N)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 64361956 WJNJAGWTTZEZCK-UHFFFAOYSA-N 375.433 -0.872 30 20 GBED C=C(C)CN(CC)C(=O)CN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O 268577968 DGOKYJKICHOLKI-UHFFFAOYSA-N 380.445 -0.076 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCO[C@H](CNC(C)=O)C1)c1cc[nH]n1 278024623 QJIRIVYNKXMYEI-FTRNENOISA-N 381.389 -0.943 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCc1cccc(S(N)(=O)=O)c1 282819933 LOPPLWWLLYPRTA-UHFFFAOYSA-N 376.460 -0.470 30 20 GBED COCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 291614994 SUARGSGWYOCUTH-BXUZGUMPSA-N 383.426 -0.081 30 20 GBED N/C(=N/CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCCN1CCOCC1 304938150 LBTAZGWYUSTMCX-CAOSSQGBSA-N 375.473 -0.580 30 20 GBED C[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1ccc(C#N)cn1 349460142 IEGLAHBSLWABSF-WCQYABFASA-N 388.471 -0.130 30 20 GBED COC[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)Nc1n[nH]c(C)c1C#N 349463377 MMFCNZOBJDMLIR-LLVKDONJSA-N 391.475 -0.228 30 20 GBED COC[C@H]1CN(C(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CCO1 410680359 CDXVEDUHKPDOPM-CQSZACIVSA-N 390.444 -0.877 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@H]2CN3)C[C@]12C(=O)Nc1ccccc12 423723599 LTZPREJGKHIUQP-PSUSHLJKSA-N 379.420 -0.179 30 20 GBED CN1CCC[C@@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1=O 491212715 JBUQIQLOJOKURJ-CQSZACIVSA-N 381.396 -0.126 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCCNS(=O)(=O)N(C)[C@@H](C)CC#N 509444168 MGFJDVUYXKFHLG-STQMWFEESA-N 394.523 -0.487 30 20 GBED CCN1CCN([C@@H](C)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 566011547 WPDWLWAGFISDLT-HNNXBMFYSA-N 393.513 -0.021 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CCSC[C@H]2CCO)CC1 571382382 UIVPBNOIKSFFRF-OAHLLOKOSA-N 389.481 -0.072 30 20 GBED CN1CCN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)[C@@H](CN)C1 581937942 HFXRSMPAMMAKRG-AWEZNQCLSA-N 388.447 -0.553 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)COc1ccc(C#N)cc1 588831511 YQRGSCDBZGHMAQ-HNNXBMFYSA-N 375.381 -0.156 30 20 GBED CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)C1 597269410 VQGANRKOGZEJEI-AWEZNQCLSA-N 390.513 -0.370 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCOCC 725764247 KZDRJQWCMVOUGE-UHFFFAOYSA-N 389.481 -0.291 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc3c2OCCO3)CC1 728589964 OQCQXXRXJNZXOZ-UHFFFAOYSA-N 379.438 -0.487 30 20 GBED N#CCNC(=O)COC(=O)c1ccc(S(N)(=O)=O)c(Br)c1 748317838 NDQJJDZGQODQEY-UHFFFAOYSA-N 376.188 -0.107 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC(N)=O)C2CCOCC2)c1 752455718 GSRCZAQPDJYGEE-MRXNPFEDSA-N 393.465 -0.002 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)c1 774835103 FJZXYQAMMDBRDA-GOEBONIOSA-N 393.465 -0.036 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(Cn2cncn2)c1 783346712 HAFRSJAEJFKCPZ-UHFFFAOYSA-N 377.426 -0.018 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1)[C@H]1CCCO1 809305448 CZZKQMXLDDDGNB-SOUVJXGZSA-N 397.439 -0.542 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)c1cccc(C(=O)O[C@H](C)C(=O)NCC#C)c1N 815253854 JPTDNFXGNGLTRA-BETUJISGSA-N 399.403 -0.142 30 20 GBED COC[C@](C)(CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)c1ccc(C#N)[nH]1 826148965 VLYPHEZWURJDDC-KRWDZBQOSA-N 397.399 -0.041 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(C)COc3ccccc3O2)CC1 831585464 VPFRHDKRZZPKTG-QGZVFWFLSA-N 379.438 -0.172 30 20 GBED C[C@@H]1NC(=O)N(CCOC(=O)CNS(=O)(=O)c2ccccc2C#N)C1=O 837402589 UONIAJFARFEEFP-JTQLQIEISA-N 380.382 -0.680 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1cnsn1)[C@@H]1CCCO1 848962853 AOAHNQLNMUBCKF-QWRGUYRKSA-N 394.500 -0.230 30 20 GBED C[C@@H]1[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCS1(=O)=O 862991968 HKQBVSJBFKHNRH-ZYHUDNBSSA-N 385.467 -0.193 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)N=S2(=O)CCCC2)CC1 866809934 MVMDAPXEJHLKFK-UHFFFAOYSA-N 376.504 -0.750 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 913201536 WBCVPUCKMNVBAB-ZDUSSCGKSA-N 391.359 -0.199 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1C 950408112 HGNCTTVBCBDJAU-FPCVCCKLSA-N 379.457 -0.211 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2c(C)nc(O)nc2O)C[C@@H]1O 970701801 CXSYGTDDQLXDGH-ZZVYKPCYSA-N 392.412 -0.982 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3nnn(C)c3c2)C[C@@H]1O 970701974 KVHHFZYNDTYZOF-IRWJRLHMSA-N 385.424 -0.139 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3c([nH]2)CCOC3)C[C@@H]1O 970706577 FUBHFKLBHZARAK-VZEFYGNVSA-N 375.425 -0.020 30 20 GBED N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2ccc(O)nc2=O)c[nH]1 1002141922 OLSGUOMABSAHOI-MCIONIFRSA-N 382.380 -0.289 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3n(n2)CCO3)C1 1024238837 JQGXPGTZWQLTLN-CRNXPOROSA-N 390.440 -0.052 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCNC(=O)C1 1097096386 NTZOURYLVXRBRZ-MTSZKFMLSA-N 390.484 -0.353 30 20 GBED N#CCNC(=O)CNC[C@]12CCC[C@H]1CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@@H]31)C2 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20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCCN2C(=O)CCC2=O)CC1 1328854322 IPLXVYDJLJHOCM-UHFFFAOYSA-N 383.408 -0.528 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC2(CC1)[C@@H](O)C[C@@H]2OCC 1329802982 VCXQIWBUWAYEID-KBPBESRZSA-N 388.486 -0.518 30 20 GBED C#CCN1CCN(c2nnc(Cc3ccc(S(N)(=O)=O)cc3F)n2C)CC1 1339706967 UIAKFYUVKWSKGX-UHFFFAOYSA-N 392.460 -0.052 30 20 GBED COC(=O)C1(C#N)CCN(C(=O)C(=O)N2CCN(CC(C)C)C(=O)C2)CC1 1348334880 CREDYLKTQOQMPH-UHFFFAOYSA-N 378.429 -0.381 30 20 GBED N#C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 1356218544 RXYXYEOUXZELKA-INIZCTEOSA-N 375.473 -0.095 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2cc(C)ncc2-c2nn[nH]n2)C1 1573286837 IUZJKNOOKRJLBC-UGSOOPFHSA-N 385.428 -0.334 30 20 GBED C[C@@H](C#N)C(=O)N1CCC[C@@H](N(CCO)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573568174 YWSQFODWHJWELH-WCQYABFASA-N 386.416 -0.220 30 20 GBED C#CCCCCC(=O)N1CCCO[C@@H](CNCC(=O)NCc2cnn[nH]2)C1 1574867154 QJYWQMNQIBOLEZ-INIZCTEOSA-N 376.461 -0.178 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1577903018 NINFDDFYOHLFEE-UHFFFAOYSA-N 392.449 -0.763 30 20 GBED CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1579860393 GEKKKGGAPLTIPY-VXGBXAGGSA-N 380.372 -0.510 30 20 GBED O=C(CC#Cc1ccccc1)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O 1581956200 QCUWKZQHWCURIC-HZPDHXFCSA-N 390.407 -0.236 30 20 GBED C=CCn1cc(C(=O)NC[C@H](C)N(C)c2nc(C)cc(-c3nn[nH]n3)n2)nn1 1588713397 KYSVHTBOGQRRPD-NSHDSACASA-N 383.420 -0.003 30 20 GBED C[C@H](CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)C(=O)O 1592588212 CVEJTUUMIANFPJ-SNVBAGLBSA-N 375.428 -0.170 30 20 GBED C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc(C)c(-c2nn[nH]n2)c1 1602719496 APLNQQVVEPYYSC-NSHDSACASA-N 396.454 -0.619 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[nH]n2)cn1 1602721370 GOAKCKHYGOLJGW-YDHLFZDLSA-N 379.428 -0.456 30 20 GBED C=CCOCCCC(=O)NC[C@H]1COCCN1c1cnc(-c2nn[nH]n2)cn1 1602871209 NKDNUWWGTLWWFM-ZDUSSCGKSA-N 388.432 -0.039 30 20 GBED COC(=O)c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CCO[C@H](C#N)C1 1604964229 KJRYWZFPLLMPRC-SNVBAGLBSA-N 378.370 -0.434 30 20 GBED N#CC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 1609496241 YXVPXTDREVIWTA-CYBMUJFWSA-N 377.430 -0.552 30 20 GBED Cn1cnc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)n1 1729592179 ZUAARWIZDPAEDB-XHDPSFHLSA-N 394.436 -0.201 30 20 GBED CC[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1763350593 LQXSNZWEEAPHPL-JMSVASOKSA-N 386.478 -0.222 30 20 GBED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(C)(=O)=O)C2 1782181638 YCNSESHFVIODIZ-YWPYICTPSA-N 378.516 -0.137 30 20 GBED CN1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)C4(C#N)CCC4)C3)C2)CC1 1785365110 RZBVVQDDRLMIGI-FQEVSTJZSA-N 389.500 -0.242 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1788573695 GPVGYEIEWOFIRW-KBCNZALWSA-N 395.500 -0.738 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccn3n1)C2 1793342558 KBXBOFYGMQXZRB-MPTYRVRUSA-N 397.435 -0.029 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCNC 1795589100 AUPJVPQGVIZQCX-GZHYHUHOSA-N 378.473 -0.566 30 20 GBED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795638081 VDUIEUSYPUJWNT-KRXQYRFLSA-N 378.473 -0.638 30 20 GBED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O 1796343658 PUDXIGQLGLAXNG-PEGIJTEDSA-N 375.385 -0.359 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=S)NCC 1800183498 SMTQRUYBLGHPDO-AYDFFVQHSA-N 396.513 -0.902 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CNC(=N)N)sc2C1 1814813885 MTZROVFGHTYTSM-UWVGGRQHSA-N 378.458 -0.424 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnsn3)C2)C1 1831386494 GWYGLQVRIVYSTN-SUMWQHHRSA-N 394.453 -0.354 30 20 GBED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccnnc3)CC2)CC1 1834143174 OBFNJFDYZFZJOC-UHFFFAOYSA-N 385.424 -0.250 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cocn3)CCO2)C1 1834504379 ZFFSZITVLYGUSN-RDTXWAMCSA-N 377.397 -0.217 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1834761037 PIGRJILIZXABJA-TYJAPOHBSA-N 377.445 -0.172 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835346482 COWDWVATXRDXOC-UGSOOPFHSA-N 378.429 -0.729 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1839808521 TUFCWCHGBKNEOH-FQEVSTJZSA-N 383.404 -0.367 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1840163670 LKRASHBHRWPQEW-CXAGYDPISA-N 396.469 -0.982 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC=C)CCO2 1840171134 QUKQPXURCLGQCV-LIXSYLKWSA-N 377.441 -0.123 30 20 GBED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)S)C1 1846371635 DYGHCSQUWMTHQH-BXUZGUMPSA-N 379.486 -0.021 30 20 GBED CN1CCN(C(=O)c2ccc(CNc3c(C#N)c(=O)n(C)c(=O)n3C)cc2)CC1 52242014 VJANBSUUGMADJE-UHFFFAOYSA-N 396.451 -0.045 30 20 GBED C[C@@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 268799508 OYJCYASJMBNITM-UXNQKTKSSA-N 382.442 -0.065 30 20 GBED COCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 269311532 VTFJFVPTGKCTHH-UHFFFAOYSA-N 388.471 -0.374 30 20 GBED COc1ccc(C#N)cc1NC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 275974831 HBYDSJJUABAAJI-CQSZACIVSA-N 376.413 -0.343 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)C(C)(C)NC(=O)C(F)(F)F)CC1 277576088 YHWKRDKQZSHOSL-UHFFFAOYSA-N 376.379 -0.273 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@H](CCOC)C(=O)OCC)c1cc[nH]n1 281796112 VYZPPSOBYLGRCV-JITPHZTJSA-N 384.389 -0.222 30 20 GBED COCCN1C[C@H](/C(O)=N/[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)CC1=O 329301991 WDJHYMUJUSEUEA-NWDGAFQWSA-N 375.447 -0.917 30 20 GBED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 349492229 KOBMGYWMSQZQRT-XQLPTFJDSA-N 393.531 -0.123 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)ncc1C#N 349509104 YJBGVOIRDHYUHU-UHFFFAOYSA-N 383.455 0.179 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N1CCCOC1 349516176 XTGQTUAEDGTXFW-LBPRGKRZSA-N 383.517 -0.343 30 20 GBED CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NS(=O)(=O)CCCS(=O)(=O)NCC#N 349558518 RVSFWCKTHUPETH-UPJWGTAASA-N 379.504 -0.058 30 20 GBED C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2ccc(C#N)cn2)CO1 349581656 WCLBQTMEMNZFEO-YPMHNXCESA-N 388.471 0.182 30 20 GBED CC(C)[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1nc(-c2nc[nH]n2)no1 409508673 SIWSRYZRUZGSCY-NXEZZACHSA-N 382.406 -0.389 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CNC(=O)C3)CC2)cc1 413636136 JUPRKYLCQZSDLE-CQSZACIVSA-N 391.453 -0.290 30 20 GBED CCNCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 419882406 CEHVCKFIOZESNR-UHFFFAOYSA-N 393.469 -0.883 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1cccnc1C#N 428416047 CDIYMFMIICUNEL-GFCCVEGCSA-N 382.398 -0.978 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(C#N)s1 435436561 FZUCFWUYMRFEPF-NSHDSACASA-N 387.439 -0.311 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCNC(=O)N(C)C 440709596 DDHGSHNFAMETBZ-UHFFFAOYSA-N 377.401 -0.091 30 20 GBED COc1ccc(C(=O)NCCNC(=O)C(=O)Nc2ccn(CCC#N)n2)cc1 444507149 QAWCGBBNXCYRRV-UHFFFAOYSA-N 384.396 0.290 30 20 GBED Cc1nn(C)c(N2CCN([C@H](C)C(=O)N3CCC(C(N)=O)CC3)CC2)c1C#N 472155516 MGKXJQYJSYHOEO-CQSZACIVSA-N 387.488 -0.165 30 20 GBED COCCC(=O)N1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1 475420809 HPKXSJXBYRCHJB-UHFFFAOYSA-N 376.417 -0.249 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)C2=O)cc1 488265737 NNGUITGZILTZIC-CABCVRRESA-N 396.407 -0.395 30 20 GBED CCOC(=O)C[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 590387303 QKJVZSOACNZPMB-ZDUSSCGKSA-N 383.426 -0.078 30 20 GBED C=CCNC(=O)NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 600604693 JEBABAWXBSUBOD-UHFFFAOYSA-N 391.384 -0.765 30 20 GBED Cn1cc(C#N)c(NC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)n1 610561408 VIFGBYCCLNAJOG-UHFFFAOYSA-N 383.416 -0.058 30 20 GBED C=CCCOCCNC(=O)C(=O)N1CCC(N2C[C@H](C(=O)O)CC2=O)CC1 652652137 YWBJONBDDPXFQL-CYBMUJFWSA-N 381.429 -0.381 30 20 GBED C#CCN1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 760430701 NRIIECQHDMFPTQ-UHFFFAOYSA-N 393.465 -0.096 30 20 GBED C#CCOCCNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 760505869 SSEAWNJHTAOZRU-INIZCTEOSA-N 395.481 -0.018 30 20 GBED C=C(C)[C@@H](CC(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)OCC 778135354 FAJZEEOIQXKSRX-NWDGAFQWSA-N 376.431 -0.086 30 20 GBED N#CCNC(=O)CNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 795162610 SBDZAJIDGHCKPN-UHFFFAOYSA-N 397.482 -0.366 30 20 GBED CC[C@@]1(c2ccccc2)NC(=O)N(NS(=O)(=O)N2CCO[C@H](C#N)C2)C1=O 800130733 OUXGUCLSSLKAQZ-CJNGLKHVSA-N 393.425 -0.183 30 20 GBED N#Cc1cncc(S(=O)(=O)NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 813984743 YSOZZVIQDMYOLY-STQMWFEESA-N 376.394 -0.067 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CCO[C@H](C#N)C1 820444266 HZZQPHZENUDDDT-ZYHUDNBSSA-N 391.413 -0.716 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(/C=C/C(=O)O)cc2)CC1 825618913 HNQYUWNCMZJEJF-VMPITWQZSA-N 391.449 -0.160 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 826977831 OJIZOKWYJSZYRB-AWEZNQCLSA-N 384.440 -0.048 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)c1cn(C)nn1 845135578 HLIMACBOCNUDGT-SNVBAGLBSA-N 377.382 -0.220 30 20 GBED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3CC[C@@H](N4CCOC4=O)C3)C2)nc1 850693430 YGNGXISGFJWLIP-HUUCEWRRSA-N 399.407 -0.014 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)COCC(F)(F)F)CC1 892415201 CYQWMKRKYLBHTF-LLVKDONJSA-N 386.396 -0.251 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 949423137 RXMYWHJDXHKOEG-OEUWWYETSA-N 392.456 -0.127 30 20 GBED C=CCCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCO[C@H]3CC)C2)nn1 969617003 BHIBFFOCVPCJBM-VDERGJSUSA-N 377.445 -0.029 30 20 GBED C#Cc1cncc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)c1 969649432 GMYZMOAEJYGOSM-IECFSIQFSA-N 385.420 -0.584 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]2C1 986703112 RSCJXURDYLHUJN-BARDWOONSA-N 390.440 -0.564 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 994083852 MJROBQSPRRMHIF-TUVASFSCSA-N 392.456 -0.270 30 20 GBED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2ccc(O)nc2=O)[nH]1 998007113 ODHHBMIQZNBXNU-XBFCOCLRSA-N 382.380 -0.289 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CO[C@H]1CCOC1 1109275313 ZAMHVKXLSRXZIF-QPSCCSFWSA-N 380.445 -0.475 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](c2cn(C)cn2)C1 1130674702 BAGQHTFZKXZHQS-WTTBNOFXSA-N 386.456 -0.465 30 20 GBED N#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1227603752 ZNRVVXIUUGFLPR-TUVASFSCSA-N 379.461 -0.544 30 20 GBED N#Cc1ncn(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1C#N 1254962286 FJLHLTVTMAERNI-CHWSQXEVSA-N 377.426 -0.179 30 20 GBED C=CCNC(=O)C[S@@](=O)Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 1321861879 YWTGNBGNAUBAOW-DEOSSOPVSA-N 383.455 -0.383 30 20 GBED CC(C)N1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1=O 1322188041 YSTDHVLWESXAKQ-HNNXBMFYSA-N 384.440 -0.273 30 20 GBED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC(=O)N3CCOCC3)C2=O)cc1 1337289619 PHOPWEXBMOTDTK-OAHLLOKOSA-N 399.407 -0.262 30 20 GBED CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1453832489 SYMBFNAAOZCKEC-MRXNPFEDSA-N 381.392 -0.090 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1nncn1C 1510175170 MOMSWVTXXPYOLB-NSHDSACASA-N 393.477 -0.195 30 20 GBED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1555985165 JZDHWGMXHJKJHI-WQVCFCJDSA-N 399.448 -0.226 30 20 GBED C[C@@H](C#N)C(=O)N(CCO)[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573560334 BELPSVOXTPNROK-RYUDHWBXSA-N 386.416 -0.220 30 20 GBED C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)NC)CC1 1574706250 AKGMZDSVEDAAHD-GJZGRUSLSA-N 380.518 -0.457 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc([C@H]2CCC(=O)N2)n1CC[S@](=O)CC 1574954766 NPBOKPHHMDUOMS-PFUSGODGSA-N 390.473 -0.244 30 20 GBED C=CCOCCN1CCC(N(Cc2cnn[nH]2)C(=O)Cn2ncnn2)CC1 1575110736 ZTNRSSHOUCEATF-UHFFFAOYSA-N 375.437 -0.513 30 20 GBED Cc1c(C#N)c(=O)n(CCOc2ccccc2-c2nn[nH]n2)c(=O)n1CCO 1580525986 GYMXRGCUHKCYAI-UHFFFAOYSA-N 383.368 -0.559 30 20 GBED Cc1cc(=NCCN(CCO)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)c(C#N)c[nH]1 1581028495 APXJDAAMQZRJOZ-UHFFFAOYSA-N 381.400 -0.262 30 20 GBED Cc1cc(=NCCN(CCO)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)c(C#N)c[nH]1 1581029301 VQJITRPPUGNDAK-UHFFFAOYSA-N 381.400 -0.262 30 20 GBED N#Cc1cn(CCC(=O)N2CSC[C@H]2C(=O)N2CCCC2)c(=O)nc1O 1587611326 MUALLGDEMIWNRI-LBPRGKRZSA-N 377.426 -0.265 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]21 1588356165 UHADWRQOZBLMKC-TYNCELHUSA-N 383.412 -0.094 30 20 GBED N#Cc1ccc(C(=O)N[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C[C@H]2O)[nH]1 1606367380 IKZCWEFPJQGFBU-SWLSCSKDSA-N 379.384 -0.169 30 20 GBED COC[C@]1(C(=O)O)CCN(S(=O)(=O)CCOC2(C#N)CCOCC2)C1 1777192510 YVYYCBYPVSFHLN-AWEZNQCLSA-N 376.431 -0.171 30 20 GBED NC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779109303 LNNKQSXBWBGPNY-GQJMBIMPSA-N 397.432 -0.986 30 20 GBED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1 1795438696 PJENYKXKASJGEF-YALNPMBYSA-N 385.530 -0.137 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSC(=N)N 1795505415 KQZIOUKAUJVVBQ-GFQSEFKGSA-N 384.502 -0.224 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=NNC(=O)C4)C3)C2)C1 1829669213 RYTAFMHBBXCSFI-GOSISDBHSA-N 376.413 -0.715 30 20 GBED CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1831335916 TUYJXVCSGQFZRH-INIZCTEOSA-N 387.458 -0.819 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1831435112 LQPAOAMKDRLQLL-YJBOKZPZSA-N 393.444 -0.674 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1 1832458710 WVHSVNUUDNKBOH-QGZVFWFLSA-N 388.486 -0.629 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN(C)C)CCO2)C1 1835381134 COVMOVUOMMWHDH-APWZRJJASA-N 383.489 -0.014 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CN)C2)C1 1839225122 XZMRAVVIKOMEJE-IIDMSEBBSA-N 384.477 -0.162 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(F)(C3)C4)C2)C1 1840040306 UIQWENCDUFKGTH-ABHNRTSZSA-N 380.372 -0.577 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840160315 DRHCUBBTVBDQHA-BONVTDFDSA-N 399.429 -0.294 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1840172777 IQCUJUASUPTHKZ-QGZVFWFLSA-N 378.385 -0.466 30 20 GBED CN(C)C(=O)CN/C(=N/C[C@H]1CCCO1)N1CCN(c2ncc(F)cn2)CC1 262267854 GCEQIEAQUQJPCF-OAHLLOKOSA-N 393.467 -0.050 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)c1 269914521 DPLDKVBVOSGNCQ-ZDUSSCGKSA-N 399.494 -0.391 30 20 GBED C=CCNC(=O)CNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 271988394 PSJIYKDPZOPPHK-LLVKDONJSA-N 380.426 -0.895 30 20 GBED C[C@H](O)CN(C(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@H](C)CO 297876051 UJZYKGGULKJNAL-RYRKJORJSA-N 388.468 -0.187 30 20 GBED CCN1CCN(C(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)CC1=O 297989071 JCNCSXYXOKPWOR-UHFFFAOYSA-N 390.469 -0.338 30 20 GBED C[C@H](O)CN1CCN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 298212498 YQNSZAZDURYDTK-HNNXBMFYSA-N 386.456 -0.873 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCc2nn(C)cc21 349534272 HDNSVALYVVXCGC-SMDDNHRTSA-N 389.503 -0.062 30 20 GBED COc1ccc(CN(CCO)S(=O)(=O)N2CCO[C@@H](C#N)C2)c(OC)c1 410140383 QRKFVACPSYMJES-HNNXBMFYSA-N 385.442 -0.033 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](C)CN1 418967827 SPCPNIFYJSLFKX-CKEIUWERSA-N 383.452 -0.016 30 20 GBED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C1CC1 502043692 MKKNNADQNSDTAQ-UHFFFAOYSA-N 387.465 -0.366 30 20 GBED N#CCCCCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 553270879 XJIVINLKUJVLEC-CQSZACIVSA-N 386.474 -0.551 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)ncc1C#N 565180071 OUMTVVSFOOHVCM-GFCCVEGCSA-N 379.442 -0.012 30 20 GBED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H]3[C@H](O)CC[C@H]3C2)c1 576768205 OUVMVJVPVRSFEL-NILFDRSVSA-N 385.467 -0.120 30 20 GBED C[C@@H]1COCCCN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N 594637383 OAODRGKSURRGEL-CYBMUJFWSA-N 378.476 -0.504 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC[C@@H]1N1CCN(C)CC1 601472584 XTATUDGXPQDBAN-MSOLQXFVSA-N 390.532 -0.471 30 20 GBED C=CCNC(=O)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(OC)cc1 679822197 XPLMSLAZPLSKQK-WFASDCNBSA-N 397.453 -0.763 30 20 GBED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)NCC#N)[C@@H](C)O)cc1C 731233620 MPOPYMKVBVOVNV-IUODEOHRSA-N 383.426 -0.486 30 20 GBED Cn1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc3c(c2)OCCO3)c(=O)n(C)c1=O 735207457 RHJWRDVMTVGDMB-NSHDSACASA-N 384.348 -0.184 30 20 GBED C=CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 735428760 OHPQSDZNBUFNFE-SNVBAGLBSA-N 394.413 -0.621 30 20 GBED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)C(=O)OC 763258964 IOBFPXYNXGGQBQ-STQMWFEESA-N 397.453 -0.066 30 20 GBED C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)[C@H]1CCCO1 772891219 TWDRGSVPWAMIKT-GDBMZVCRSA-N 381.454 -0.043 30 20 GBED C=CCN1CC[C@@H](N(C)Cn2c(=O)n(CC=C)c(=O)n(CC=C)c2=O)C1=O 799144525 ZXSKYYKCSFFSDE-CQSZACIVSA-N 375.429 -0.780 30 20 GBED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCS(=O)(=O)CC 800778979 JVJPBNGAOVJJFW-NSHDSACASA-N 379.508 -0.055 30 20 GBED C[C@@H](O)c1cn(C2CN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)nn1 810969653 AZPMQRDFXVZLHY-LLVKDONJSA-N 390.425 -0.435 30 20 GBED C#CCN1CCN(C(=O)Cn2nnc3c(cnn3-c3ccccc3)c2=O)CC1 817582162 YKZJNEIWESCOCR-UHFFFAOYSA-N 377.408 -0.245 30 20 GBED C#CCN=c1nc(N2C[C@H]3[C@@H](O)CC[C@H]3C2)[nH]c(N2C[C@H]3CC[C@@H](O)[C@H]3C2)n1 884647373 MBKRTRJZXZNSJJ-BOFKIOBHSA-N 384.484 -0.247 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(c3ccc(C#N)cc3CO)CC2)CC1 891762276 KPAGCMWYQZOMLX-UHFFFAOYSA-N 379.486 -0.335 30 20 GBED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC1=NCC(=O)N1 918355616 SHVPBCQPNSRWTA-UHFFFAOYSA-N 377.426 -0.113 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C[C@@H]2O)nn1 963311161 YIQSOIVSFXNPGL-NHIYQJMISA-N 385.428 -0.697 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(CN(C)C)on2)C1 968545300 GCUPVNFRZGUXHT-OJLVUWQFSA-N 378.429 -0.371 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnn[nH]2)C1 990906817 OWTDYONYKZLAQB-ATGSNQNLSA-N 386.416 -0.441 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1c(O)nnc1O 1003121753 XSHRADJKUWYOBF-POQQGIQPSA-N 391.428 -0.081 30 20 GBED C=CCn1cc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 1039753788 XNAZDUWSVKWJFP-KSYLVVCPSA-N 387.440 -0.419 30 20 GBED CN1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CN(CC#N)C[C@@H]2n2ccnn2)CC1 1069929185 ZOQXZBRAJIIRSF-BDXSIMOUSA-N 387.488 -0.110 30 20 GBED N#Cc1nccnc1N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCn1cc[nH]c(=O)c1=O 1092856596 NGHOCIPKCBDICL-DYEKYZERSA-N 381.396 -0.486 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)CCO1 1117920693 JOJMLABGCWLHAK-INIZCTEOSA-N 382.424 -0.271 30 20 GBED COC(=O)C1(C#N)CCN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1 1118252493 XGCFVDVBHUVJCP-LBPRGKRZSA-N 378.360 -0.383 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 1118676876 SOVOIUSHPLKSCV-HIFRSBDPSA-N 380.422 -0.757 30 20 GBED COc1cc(NC(=O)C(=O)NC[C@@H](O)CN2CCCC2=O)c(F)cc1C#N 1118861506 JTWWJSRORUISSN-LLVKDONJSA-N 378.360 -0.256 30 20 GBED C=CCn1c(CN2CCC(CO)CC2)nnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1121635725 KFMFDAAKSMUNLZ-GASCZTMLSA-N 388.472 -0.281 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2CC)C[C@H]1c1cncn1C 1131012465 KKTQLAXXPNTWAF-NNFUDEMPSA-N 387.484 -0.131 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](O)CN1CCCC1=O 1319896003 VAWRQYSOXSSWOJ-GXTWGEPZSA-N 394.453 -0.675 30 20 GBED N#Cc1ccc(S(=O)(=O)CCN2CCN(CCS(N)(=O)=O)CC2)cc1 1320023155 CDDHCODDMFJHLK-UHFFFAOYSA-N 386.499 -0.762 30 20 GBED CCC(=O)N1CC[C@H](C(=O)NCC#CCNC(=O)[C@@H]2CCN(C(=O)CC)C2)C1 1321358868 CUSVXJFBVYQXBA-IYBDPMFKSA-N 390.484 -0.261 30 20 GBED COC(=O)CN(CC#N)CC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 1322323822 QVPYGWOSLNQCCK-GFCCVEGCSA-N 383.430 -0.512 30 20 GBED C[C@@H](NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(C)(C)CN(C)C 1322961794 JKIGIKBCDZNUJS-DKASORFFSA-N 379.461 -0.279 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)NCC1(N2CCOCC2)CC(OCC)C1 1323855862 WRVVXPRCQLAFOY-UHFFFAOYSA-N 375.469 -0.142 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C)C1CCN(C(=O)OC)CC1 1329381053 HUAIJXFFWWEGDB-LBPRGKRZSA-N 389.474 -0.314 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C2CCN(C(=O)C(C)C)CC2)CC1 1332386127 YBSZOYDCVIKKFG-UHFFFAOYSA-N 384.502 -0.507 30 20 GBED Nc1nsc(N2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)n1 1332397439 QWPIUIUNOLTUFD-SEYXRHQNSA-N 377.430 -0.315 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2nn(C)c(C)c2Br)CC1 1348439217 FUMIDNFQDXSEKQ-UHFFFAOYSA-N 382.262 -0.002 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCn1cncn1 1360684278 MYDKRIZLMGCCLT-FZMZJTMJSA-N 397.440 -0.378 30 20 GBED CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)NN2C(=O)Cn2cnc(C#N)n2)C1 1584014266 OFLKQQDGYWYNER-MRXNPFEDSA-N 375.389 -0.207 30 20 GBED C#CCN(C(=O)Cn1ccnc1)C1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 1588348145 JEMWJNNBLVJOOH-UHFFFAOYSA-N 392.427 -0.016 30 20 GBED C#CCNC(=O)[C@H](C)N[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1(C)C 1588353173 JHUYXGNTESTVLO-FZMZJTMJSA-N 384.444 -0.227 30 20 GBED C#CCNC(=O)[C@H](C)NCC[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353512 VRSJDVXONXDZIJ-STQMWFEESA-N 384.444 -0.226 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O 1588356525 CXYPNXYAPRIBEN-XZJROXQQSA-N 388.403 -0.295 30 20 GBED C#CCOCCC(=O)NC1(CCO)CN(Cc2ccc(-c3nn[nH]n3)cc2)C1 1588359666 WFDCMACXMQRCFL-UHFFFAOYSA-N 384.440 -0.040 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@H]2O)cn1 1588370191 SDVCZHBRBWSFST-ZIAGYGMSSA-N 377.368 -0.988 30 20 GBED C#C[C@H](NC(=O)C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@H]2C(=O)O)[C@H]1CCCO1 1588371006 TWJWWZUDZNVXKS-GAURVVSWSA-N 378.381 -0.853 30 20 GBED C=CCn1cc(C(=O)NC[C@@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C2)nn1 1588713864 WXORBLPBLQFGSA-NSHDSACASA-N 381.404 -0.310 30 20 GBED Cc1nc(N2CC[C@H](NC(=O)CSCC#N)[C@@H](O)C2)ccc1-c1nn[nH]n1 1592369581 QEBLFVZNEKYPSH-STQMWFEESA-N 388.457 -0.117 30 20 GBED N#CCc1ccc(CNC(=O)CCn2cc(-c3nn[nH]n3)c(O)nc2=O)cc1 1592681508 CUAQLACMVURZNY-UHFFFAOYSA-N 380.368 -0.098 30 20 GBED N#CCCCNC(=O)C(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1609495165 WVEBPYPONFKSHS-UHFFFAOYSA-N 383.416 -0.233 30 20 GBED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1 1781316829 CZNLMRASZIWPJO-LPGQDOADSA-N 382.461 -0.703 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1781395450 IKTRGQPVSXBIOO-YOEHRIQHSA-N 378.433 -0.091 30 20 GBED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOC3=O)C[C@@H]21 1783680097 XRZXWXUFYQDIMZ-IHRRRGAJSA-N 378.429 -0.032 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1791264673 UTARJERHMJBYKO-XUXIUFHCSA-N 380.470 -0.459 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cccc(Cl)n1 1794195461 FOXHZLBINQAQQO-KSPBDQMDSA-N 391.811 -0.045 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795577819 MQBQLETYIULZSW-HGTKMLMNSA-N 379.461 -0.993 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1 1796890511 VBHFZFGAAGJLRY-BTTYYORXSA-N 397.453 -0.862 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)N1CCOCC1 1798484735 JXFUUFKBNHZCNJ-RPUYLAQPSA-N 379.457 -0.687 30 20 GBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1800984607 AYTLWLUYKLMTFK-XHSYRHOGSA-N 380.426 -0.304 30 20 GBED N=C1NCCN1CC(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1807119146 PRBDYPFCWKTVJQ-KBXCAEBGSA-N 398.423 -0.985 30 20 GBED N#CCCC(=O)N1CCCC2(CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)C1 1809509542 HLQZDGWIMBWJQU-UHFFFAOYSA-N 398.427 -0.039 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)C)C2)C1 1831392103 BMDXGTVFYZSFJX-FXAWDEMLSA-N 395.500 -0.131 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccc(OC)cc3)C2)C1 1839805118 CMJBLUINZOCRSK-UYAOXDASSA-N 388.420 -0.182 30 20 GBED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840156079 IAHZXNXGZDHGSY-HACGYAERSA-N 387.502 -0.324 30 20 GBED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1841608085 YWRJIJWIHRHELF-OAHLLOKOSA-N 399.513 -0.489 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2 1845187548 PKJNNSJYTLLENG-UHFFFAOYSA-N 392.412 -0.749 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O 1848034090 SDSMKVUSVVOFEB-AVGNSLFASA-N 379.417 -0.459 30 20 GBED COCCCNC(=O)CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 66943333 CJQGWZUAAHOAAI-UHFFFAOYSA-N 396.469 -0.210 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CO)CCOC)cc1 281601141 SJUGZMXWPVUSBO-CQSZACIVSA-N 399.469 -0.055 30 20 GBED CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)cc1 285781813 YTCIZFZVVILRDG-UHFFFAOYSA-N 384.443 -0.621 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](OC)C(=O)OC 293305703 IHNCCFBVBFVYMT-CQSZACIVSA-N 379.369 -0.174 30 20 GBED Cn1c(=O)/c(=C/c2ccc3c(c2)CCO3)s/c1=C(\C#N)C(=O)N1CCOCC1 298860347 MGSPNAQTVOHVKB-ALPURWLGSA-N 397.456 -0.256 30 20 GBED CC(C)[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)CCN1C 349478549 SLTJCIXBGKSWGA-AWEZNQCLSA-N 380.536 -0.237 30 20 GBED N#CCNC(=O)CNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 376173745 MRNIKIAAEPADEJ-HNNXBMFYSA-N 378.454 -0.016 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)C1=O 410882688 JEEYOOBZGMERGG-AWEZNQCLSA-N 393.488 -0.116 30 20 GBED N#Cc1ncccc1S(=O)(=O)N1CCN(C(=O)CN2CCOCC2)CC1 428253189 PXLYLGFJFHXTAU-UHFFFAOYSA-N 379.442 -0.882 30 20 GBED COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccnc2C#N)CC1 428259759 OVWJGKFPXKCBDW-CQSZACIVSA-N 395.485 -0.199 30 20 GBED Cc1cccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1C#N 444028405 GWTHFJXHYODJJX-CABCVRRESA-N 399.494 -0.357 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 451923443 MWSUNWIHXHYREK-TZMCWYRMSA-N 395.551 -0.133 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)c1C#N 472878714 NRFWGNURLVSYOV-UHFFFAOYSA-N 395.427 -0.002 30 20 GBED COC(=O)CN(CC#N)C(=O)[C@@H]1CC(C)C[C@H]1C(=O)N(CC#N)CC(=O)OC 481799665 XPSGILWFIMXIDZ-ZIAGYGMSSA-N 392.412 -0.301 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2nc(C)oc2C)CC1 490093306 YDWBGZLBZVYSRG-UHFFFAOYSA-N 377.445 -0.603 30 20 GBED N#Cc1cccc(F)c1CC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 505911786 GHBQETZDEFYXBP-UHFFFAOYSA-N 388.399 -0.231 30 20 GBED N#CCNC(=O)CNS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br 511023815 ALGAYGFVODHDQS-UHFFFAOYSA-N 388.203 -0.051 30 20 GBED C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 517898403 GDBALIODIFHNSK-OAHLLOKOSA-N 376.457 -0.131 30 20 GBED CN(C)C[C@](C)(O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 573980661 CABHIGMPICKYLF-CQSZACIVSA-N 390.487 -0.921 30 20 GBED N#Cc1ncn(CCNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)n1 576656270 QPYZGVNGNQSLBX-UHFFFAOYSA-N 395.470 -0.355 30 20 GBED CCOC(=O)c1cc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n[nH]1 589480820 OXSHZUPLSIISDC-UHFFFAOYSA-N 377.382 0.375 30 20 GBED CS(=O)(=O)NC1CC(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 589515567 NTFDZAGWLNBLFQ-UHFFFAOYSA-N 386.455 -0.967 30 20 GBED CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cc(OC)c(C#N)cc2F)C1 599956653 GMOSQKDREHVFOO-JTQLQIEISA-N 384.389 -0.205 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(O)CCC3(CC2)OCCO3)C1=O 748360885 JIYOFECPARCEJY-UHFFFAOYSA-N 381.385 -0.872 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCC2(CC1)COC(=O)N2)c1cc[nH]n1 772544043 KOQYKLVARPWOPS-UHFFFAOYSA-N 379.373 -0.206 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1)[C@H]1CCCO1 785641896 CYNHBDFZQGKRRD-JKSUJKDBSA-N 393.465 -0.351 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2nc(C(=O)OCC)n[nH]2)cc1 787907058 XDTFZLCGOZWBRG-UHFFFAOYSA-N 391.409 -0.177 30 20 GBED C=C[C@H](O)C(=O)OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 814545386 SHAMUKXZZAKISH-HNNXBMFYSA-N 398.437 -0.586 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CCOC[C@@H]1C#N 820443860 ABKYLWFWSVBMHF-JQWIXIFHSA-N 391.413 -0.716 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O 833523515 QJPKOQGSLQLOLY-HZMBPMFUSA-N 391.409 -0.240 30 20 GBED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CNC[C@H]2C#N)C1 834500324 SBGUTNOQNWHXQR-BFHYXJOUSA-N 380.474 -0.345 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)[C@H](C#N)C1 838550755 AIPHSGPFLQILBL-WISYIIOYSA-N 377.401 -0.341 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ccn(C)n1)[C@@H]1CCCO1 848963891 GBNDSFQGAGKFTP-OLZOCXBDSA-N 390.487 -0.348 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@H]2OC)cn1 944100874 USGWZHWEMOTJRN-YYIAUSFCSA-N 384.436 -0.257 30 20 GBED CO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 946759611 NOQUCASXAOTHIP-LVQVYYBASA-N 377.441 -0.622 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@@H]1C 990124624 OSWCBDFQPUMERX-NDBYEHHHSA-N 376.417 -0.926 30 20 GBED C=CCn1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)nn1 1058229428 NWDWATHFCMWXDS-WALBABNVSA-N 375.429 -0.562 30 20 GBED C=C(Br)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1070027620 QIKGDHQOXUJEAG-KXNHARMFSA-N 383.250 -0.350 30 20 GBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CCn2cc[nH]c(=O)c2=O)nn1 1092856816 TVCPCBUFUGHFLW-RDBSUJKOSA-N 381.396 -0.486 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(O)nc2ncn(C)c12 1109389294 ZLTFWXAXQFRSRV-XBFCOCLRSA-N 382.424 -0.242 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@@H]1CCCS(=O)(=O)C1 1109936141 LPZVEFOQBFAMTR-FZKCQIBNSA-N 381.498 -0.328 30 20 GBED C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(C)CC(=O)NCCC 1110384968 GKNVERUZAAVZEQ-OAGGEKHMSA-N 380.489 -0.105 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@H]2CCC(F)(F)C2)CC1 1120106596 ZCTNNJIKGCRHAQ-LBPRGKRZSA-N 389.432 -0.302 30 20 GBED O=C(CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)NCC#Cc1ccccc1 1196283556 GUHVWLLAEBCULE-WAPOTWQKSA-N 397.475 -0.117 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(CCOCCNC(C)=O)C[C@@H]21 1218650463 ANOBOYODCITITR-VSZNYVQBSA-N 381.473 -0.358 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2C=C)C1 1219656007 GNBLMQREHMZTQA-KBXIAJHMSA-N 380.445 -0.859 30 20 GBED C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 1325892526 NNYAGMPVYLRHCX-CQSZACIVSA-N 396.455 -0.170 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)C1=O 1327398098 JFODVKSDSKHTNC-HRAATJIYSA-N 398.463 -0.113 30 20 GBED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCN3CC[C@H](O)C3)C2=O)cc1 1329626088 KUCVFPLUTPMGPL-JKSUJKDBSA-N 385.424 -0.054 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CCc2ocnc2C(=O)OC)CC1 1333944256 DGLVCUZYGYYQOD-UHFFFAOYSA-N 376.413 -0.323 30 20 GBED C#CCN(CC#C)c1nnc([C@@H]2CCCNC2)n1CCS(=O)(=O)N(C)C 1574622859 UHAPZKUDSCUWLA-OAHLLOKOSA-N 378.502 -0.291 30 20 GBED C#CCOCCC(=O)NC[C@@H]1CN([C@@H](C)C(=O)NCc2cnn[nH]2)CCCO1 1575014089 XIEOLRGNYXOSSH-GOEBONIOSA-N 392.460 -0.944 30 20 GBED C#CCO[C@H](C)C(=O)NCCN1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1588358493 XYBFOXWQGJWMEY-CQSZACIVSA-N 384.444 -0.462 30 20 GBED N#CCSCC(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 1592679221 JDFJULXTRIREKR-UHFFFAOYSA-N 387.473 -0.243 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H](Cn2ccnc2)C(=O)O)cc1 1601102265 JBDHKXJEMOATKJ-AWEZNQCLSA-N 376.394 -0.061 30 20 GBED C#CCOCCC(=O)N[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C 1757070247 CDDGLRIOVXOXDW-FPCVCCKLSA-N 379.457 -0.198 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](NC)C(=O)O)[C@H]2C1 1786893457 FOTDXDLJDWXFSW-YXMSTPNBSA-N 395.456 -0.933 30 20 GBED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N3CCN(C)CC3)[C@H]2C1 1789801621 PGUOABMNTHAIIO-NRKLIOEPSA-N 398.573 -0.080 30 20 GBED O=C(CNC(=O)C(F)(F)F)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1801031053 GHOILNPILIWWEG-JJLQDPRZSA-N 387.358 -0.332 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3)C2)C1 1831393583 YJNVPMWYZDSYDD-KSSFIOAISA-N 377.397 -0.217 30 20 GBED Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)c(=O)[nH]c1C 1834755728 AUFGBGRIVHXEGC-SFHVURJKSA-N 389.412 -0.630 30 20 GBED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)Cn3cccn3)CC2)CC1 1834884885 WXYLVSWYCLPLPJ-UHFFFAOYSA-N 387.440 -0.457 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)CC1 1835344807 WABPCTRGIRPQCH-QGZVFWFLSA-N 375.385 -0.511 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1835364193 MCNOJHCNFGWZOU-INIZCTEOSA-N 394.457 -0.343 30 20 GBED CN(C)C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1835433058 FCLMKDGMCVSYHZ-GOSISDBHSA-N 389.412 -0.955 30 20 GBED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](N)CN)CC3)CC2)c1 1836170011 PKJKDOMPCTWCBZ-INIZCTEOSA-N 387.488 -0.642 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836419513 LDFNJLLWSFWRSR-DIFFPNOSSA-N 397.453 -0.119 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1839811966 ZIFALDULCPNFNX-NRFANRHFSA-N 399.447 -0.186 30 20 GBED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1)C(F)(F)F 1839892457 OFBCDGJCHXPRJI-OAHLLOKOSA-N 393.362 -0.351 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2 1844239066 MPXNJTDLXQSJHG-HNNXBMFYSA-N 383.489 -0.951 30 20 GBED C/N=C(/NCCNS(=O)(=O)c1cccs1)N[C@H]1CCc2ncnn2C1 153921510 ZNIPSLNSNVODFG-NSHDSACASA-N 383.503 -0.202 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)CN2CCN(C)CC2)cc1 264405210 GSYFKOCEERACSV-OAHLLOKOSA-N 378.498 -0.036 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1 273364978 SZLQIOLMBFYYES-ZDUSSCGKSA-N 387.396 -0.242 30 20 GBED N#Cc1ccc(OCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 360146393 DAOIFEJDLSRAOP-HZPDHXFCSA-N 379.438 -0.449 30 20 GBED CCN1CCN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@@H](C)C1=O 410717579 VEGHBMMIWLFJOM-AWEZNQCLSA-N 384.440 -0.319 30 20 GBED C=CCN(CCOC)C(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 410908870 JPFQXWNMXRPKCU-AWEZNQCLSA-N 387.444 -0.178 30 20 GBED CNC(=O)N[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 466381737 CQIXYSAIYXOJCV-CYBMUJFWSA-N 379.442 -0.291 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnc(N(C)C)nc1 501375803 HSEMTWMBOVDMNB-GFCCVEGCSA-N 395.427 -0.120 30 20 GBED N#CCN1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 525329511 NBWNQQLINDZWOE-UHFFFAOYSA-N 381.414 -0.069 30 20 GBED Cn1[nH]cnc1=NS(=O)(=O)c1ccc(S(=O)(=O)NCC2(C#N)CC2)cc1 569355422 LCOGZDILLCPDSS-UHFFFAOYSA-N 396.454 -0.380 30 20 GBED CC#CC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 594627416 YYYWIUGGKMIVKL-CYBMUJFWSA-N 385.467 -0.117 30 20 GBED N#CCN1CCC(NC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 609931412 NQVXNGSUPCWMLA-UHFFFAOYSA-N 375.433 -0.149 30 20 GBED CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cc(C#N)ccc1OC 609955241 OQRFVUAHPWWNCP-CYBMUJFWSA-N 387.396 -0.641 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)cc2)c1=O 758050655 RPOMLLXDPGRJTA-UHFFFAOYSA-N 397.456 -0.183 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)CCS(C)(=O)=O)C1 758644377 LVVBHHLQRDVGGR-QWRGUYRKSA-N 381.476 -0.291 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CC(C)(C)O)[C@H](C)C2)c1=O 780504911 ZWNWEKLAWZTJQD-OAHLLOKOSA-N 393.488 -0.722 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)COCCOc2ccccc2)CC1 831556467 OIIUHAZOOYJPSW-UHFFFAOYSA-N 381.454 -0.306 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)N(C)C(=O)CO3)CC1 831584732 OIBURIJONRJGQF-UHFFFAOYSA-N 392.437 -0.733 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H](C(=O)OC)c2cccc(C(=O)O)c2)CC1 833365108 BROIHSOMMPGLGF-OAHLLOKOSA-N 395.437 -0.316 30 20 GBED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N[C@@H]3CNC[C@@H]3C#N)CC2)c1 844195149 QFQGUBHIYUQGDC-DOTOQJQBSA-N 391.497 -0.325 30 20 GBED C#CCOCCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1055945936 NSMFGARVXICBEB-ZMSPIWPASA-N 376.453 -0.081 30 20 GBED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CCc2nnc(O)nc2O)cn1 1092927188 UCZBCQSPRIDUBH-WXHSDQCUSA-N 382.384 -0.197 30 20 GBED C=CCN1CC[C@H](N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2c(O)nnc2O)C1=O 1096438709 ZBLHUHCVUAZZTD-VOAKCMCISA-N 376.417 -0.802 30 20 GBED CCC[C@@H]1C[C@H]1C(=O)N1CCN(CC(=O)NCC#N)[C@H]2CS(=O)(=O)C[C@H]21 1108481665 ZZOVMHUGHWSVFZ-APIJFGDWSA-N 382.486 -0.628 30 20 GBED CC(=O)N1CCC(NC(=O)CN2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@@H](C)C#N)CC1 1109079890 FDHJTNOYSMUUCV-IEAZIUSSSA-N 375.473 -0.005 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CC(C)(C)C1=O 1109291525 SYKQEMRNGCGMEP-RDBSUJKOSA-N 376.457 -0.205 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)c1cscn1 1111242372 BUTNNPHXSGXABE-BZPMIXESSA-N 375.454 -0.656 30 20 GBED CN1[C@H]2CC[C@H]1CN(C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)CC2 1116971404 MFHURHFCJOXBJC-CRQJOFGKSA-N 375.429 -0.676 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3[C@H]4CC[C@H]3CC(=O)NC4)CC2)c1 1118841858 TWUBZTRIGVNXHP-GJZGRUSLSA-N 382.424 -0.519 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(=O)NCC(C)C)C[C@@H]1O 1220382567 BDTNASVJYHGZRC-KBXIAJHMSA-N 382.461 -0.779 30 20 GBED COC(=O)CCCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1321563689 KQTFLEPYCAMFKI-UHFFFAOYSA-N 376.417 -0.682 30 20 GBED C[C@H](CNC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1)S(C)(=O)=O 1323242261 APURNFAIDQVEQB-GFCCVEGCSA-N 396.444 -0.105 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC([C@@H](O)c2ccnn2C)CC1 1329540320 OSFBFQAHWVHMTD-OAHLLOKOSA-N 398.485 -0.591 30 20 GBED COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C1 1338612265 KVYAIZMJZQQQMV-UONOGXRCSA-N 375.381 -0.435 30 20 GBED C=CCn1c(CN2CCC(O)CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1342132851 HYVITYMOIKUFDB-UHFFFAOYSA-N 398.533 -0.108 30 20 GBED CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1347345639 MRRFWAVLGAIQTL-ZPTIMJQQSA-N 384.458 -0.265 30 20 GBED CCN(C(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@H]1CCNC1=O 1348421627 IUSCPLHLKIQTEO-SJORKVTESA-N 383.452 -0.040 30 20 GBED C#CCNC(=O)CN(C)CC1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1573285718 LZAQYBWFOKDEEA-UHFFFAOYSA-N 384.444 -0.272 30 20 GBED C[C@@H](C#N)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCO2)C1 1573567708 RGELGSZSHRMEGF-GTNSWQLSSA-N 384.400 -0.202 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCN(CCNC(=O)[C@@H](C)OCc2cnn[nH]2)CC1 1575012499 BFEUUAJCYZPBCX-CABCVRRESA-N 392.460 -0.992 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588406966 ZGQSRAZZHULMQB-IINYFYTJSA-N 388.432 -0.100 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)N1CCO[C@@H]([C@H](C)N)C1 1588635105 DBMLTKOPEIESBR-XJKSGUPXSA-N 399.455 -0.044 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 1588659018 YAUGPAIUBYXJDH-GFCCVEGCSA-N 385.432 -0.216 30 20 GBED CC(C)(C)OC(=O)N1CCO[C@@H](CS(=O)(=O)N(CC#N)CC(=O)O)C1 1590067925 YPXJYKJTDAFTBZ-LLVKDONJSA-N 377.419 -0.138 30 20 GBED Cn1cc(NC(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)c(=O)n(C)c1=O 1592576663 WTFIXADLCFOWLF-LBPRGKRZSA-N 380.368 -0.415 30 20 GBED N#CCNCCC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1592678823 SHQMRXFVUYUUJU-ZDUSSCGKSA-N 385.432 -0.191 30 20 GBED N#Cc1cncc(N2CCOC[C@H]2CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 1592704251 FAKFPPZPXCLYDB-GFCCVEGCSA-N 380.372 -0.508 30 20 GBED CCOC(=O)C1([S@@](C)=O)CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1604368221 JLYLVQWFESPXQX-HHHXNRCGSA-N 390.429 -0.191 30 20 GBED CN(CC(C)(C)C#N)C(=O)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 1609271661 LVBLTYMZPMSSJZ-UHFFFAOYSA-N 397.443 -0.082 30 20 GBED Cc1c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cnn1C 1782010767 KNVYSOGGAQUXDU-DNVCBOLYSA-N 388.424 -0.056 30 20 GBED Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)on1 1785092217 RXFSXORXDNZSLT-QEJZJMRPSA-N 375.381 -0.407 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786696313 TVRHCZFXRSZNRY-XUXIUFHCSA-N 394.428 -0.666 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CCC(N)=O 1795976156 UVRXYUFGORZAGN-AIEDFZFUSA-N 380.489 -0.210 30 20 GBED CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1797760507 HCJGKWBSJSAVQE-AGGWBTHJSA-N 393.513 -0.246 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)NC(=O)OCC 1798263629 XHADQARDJMBMBY-XYFZXANASA-N 381.429 -0.273 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 1801069445 GSWXBDBOPQQUEP-SVZOTFJBSA-N 394.472 -0.097 30 20 GBED N#CCCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804091616 QMVHZNCSUWZBQC-RDTXWAMCSA-N 398.423 -0.057 30 20 GBED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1831407134 NWAQCBYDNYUDIT-GOSISDBHSA-N 393.444 -0.143 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1832462642 RSZGTASUWYQRPZ-SFHVURJKSA-N 383.514 -0.076 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnnn1C)CCO2 1833235725 FRZOAMZSJSAMHM-SFHVURJKSA-N 375.429 -0.311 30 20 GBED N#CCCC(=O)NC1CCN(C2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1834605819 UGWDLRKZMCSFIV-MRXNPFEDSA-N 392.504 -0.545 30 20 GBED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835346014 NICHKAYBIXUIOM-LIRRHRJNSA-N 390.440 -0.633 30 20 GBED Cn1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)n1 1836055903 ZOTLDADHOXTGOX-IBGZPJMESA-N 389.456 -0.031 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnn3)CCO2)C1 1837868503 CWZGIIVJFUUMBF-BEFAXECRSA-N 388.424 -0.415 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3C)CCO2)C1 1839216350 PBFDMDAMPBJSEV-IGCXYCKISA-N 385.486 -0.618 30 20 GBED Cc1nn2cc(CC(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)nc2s1 1846194790 PQNNTHKZHOSYIU-UHFFFAOYSA-N 387.421 -0.067 30 20 GBED N#Cc1cccnc1N1CCN(C(=O)NCCN2CCCS2(=O)=O)CC1 61039659 SQZBPHAYEZFRCU-UHFFFAOYSA-N 378.458 -0.180 30 20 GBED COc1ccc(S(=O)(=O)N2CCOC[C@@H]2C#N)cc1[C@]1(C)NC(=O)NC1=O 266132918 BJSXYGCZZWJBQA-QFYYESIMSA-N 394.409 -0.337 30 20 GBED C#CCNc1nc(N(C)CC(=O)NC(C)C)nc(N(C)CC(=O)NC(C)C)n1 286000565 DJTQMKZCAZTQJB-UHFFFAOYSA-N 390.492 -0.162 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCn2ccnc2C1 349551636 JDXITAZZBXSFTO-QWHCGFSZSA-N 389.503 -0.319 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H]1C(=O)N(C)C 460703529 HLXDXYCAACYNCK-AWEZNQCLSA-N 395.423 0.465 30 20 GBED C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 549282209 FPECSBDNIYNUTO-KGLIPLIRSA-N 392.460 -0.275 30 20 GBED CN(CC(=O)N1CCN(c2cnccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 561432875 NRELDHQSHRQKDV-OAHLLOKOSA-N 377.470 -0.279 30 20 GBED Cn1c(N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c(C#N)c(=O)n(C)c1=O 563765642 INTUCFLNAJAMQZ-LLVKDONJSA-N 381.458 -0.746 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1 565229082 ORGNPELXSSQNFM-ZDUSSCGKSA-N 398.466 -0.130 30 20 GBED COC1(CO)CCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)CC1 594546156 SDVKXQVOTYONLQ-UHFFFAOYSA-N 387.440 -0.398 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCc2cn(C)nn2)cc1 594616774 JBKYLBCTMQBENQ-JTQLQIEISA-N 384.443 -0.516 30 20 GBED COc1cc(NC(=O)C(=O)N2CCC(S(N)(=O)=O)CC2)c(F)cc1C#N 599968703 NBORSTUYCUFZSD-UHFFFAOYSA-N 384.389 -0.076 30 20 GBED CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 600050427 LNMYAGQTIJDURC-UHFFFAOYSA-N 389.387 -0.167 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O 619711611 VNIJAGRHMSKGDT-WFASDCNBSA-N 387.462 -0.597 30 20 GBED N#Cc1cnn(CCOC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1N 731771512 IOFUREBXHRNOFJ-UHFFFAOYSA-N 394.391 -0.048 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 746941851 JWCOJFPFBSFYMQ-SFHVURJKSA-N 387.396 -0.157 30 20 GBED C[C@H](CC(=O)N(CCN(C)C)CC(=O)O)/N=C1/NS(=O)(=O)c2ccccc21 769451323 FMILHHRMHPOOOI-GFCCVEGCSA-N 396.469 -0.022 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)C1 770794539 KBOXVKLJKQFCCA-QJPTWQEYSA-N 387.462 -0.182 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N1CCN(Cc2nc(COC)no2)CC1 780597509 DGXOTWWWWQODTJ-UHFFFAOYSA-N 387.462 -0.356 30 20 GBED CCOCCS(=O)(=O)NCC(=O)OCc1cc(O)n2ncc(C#N)c2n1 784122166 LSAOQIIUXOUENN-UHFFFAOYSA-N 383.386 -0.694 30 20 GBED C=CCN1CC[C@@H](OC(=O)CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1=O 798585002 OSCRKWJDAVEGDX-CYBMUJFWSA-N 398.397 -0.016 30 20 GBED C#CCC[C@@H](O)CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 799076006 PEKRKDSWDNNBFH-CQSZACIVSA-N 381.454 -0.443 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1)[C@H]1CCCO1 804081972 SHAHTFVBHYTMEY-HZPDHXFCSA-N 375.400 -0.102 30 20 GBED O=C1NC(=O)C(=NNc2ccc(S(=O)(=O)NC3CCCC3)cn2)C(=O)N1 814218526 XAVWWBNGEDUSOU-UHFFFAOYSA-N 380.386 -0.564 30 20 GBED NC(=O)CC[C@@H](C(=O)N[C@@H]1CCCN(O)C1=O)N1C(=O)c2ccccc2C1=O 848136720 QHQNQZCZYIEKRZ-OLZOCXBDSA-N 388.380 -0.587 30 20 GBED C#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N=c1nc(C)[nH]n1C 848958218 KMIQVOWNFSEPBM-UHFFFAOYSA-N 375.476 -0.895 30 20 GBED C#CCN1CCC[C@H](NC(=O)C(=O)N2C[C@H](C(=O)NC)Oc3ccccc32)C1 891606790 IWSQBFYLVGVJSB-WMLDXEAASA-N 384.436 -0.260 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN(CC(C)C)CC2)CC1 891731382 LKOYJQKSJLSDPK-UHFFFAOYSA-N 385.534 -0.098 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCN2CCc3ccccc32)CC1 896681336 YFLYTWFAFZRTCX-UHFFFAOYSA-N 391.497 -0.156 30 20 GBED C#CCNC(=O)[C@@H](C)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 931130549 PQGFVIZNBAVINS-MRXNPFEDSA-N 378.498 -0.280 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C[C@@H]2O)CC1 966003964 BPBAMFLZMAZYPY-QXCZDIPSSA-N 389.496 -0.165 30 20 GBED C#Cc1cncc(C(=O)N2C[C@@H](OCC)[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 983295654 RQDTWKWFELRLGO-WCXIOVBPSA-N 384.436 -0.222 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1C 990145475 AYWOMRRAYUPOLW-UXOAXIEHSA-N 390.440 -0.606 30 20 GBED C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2NC(=O)NC2=O)c1 1000178038 KPHOEXKWEGHFPS-QPSCCSFWSA-N 381.392 -0.477 30 20 GBED Cn1cncc1[C@@H]1CN(C(=O)[C@@]23COC[C@@H]2C3)C[C@H]1N=c1cc[nH]c(C#N)n1 1052752833 JFAHNXUZJJEKON-HLBODDRNSA-N 379.424 -0.053 30 20 GBED Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2C#N)c(=O)n(C)c1=O 1055387790 PRJBFYIZHHQWND-QKCSRTOESA-N 381.396 -0.715 30 20 GBED C=CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)n2)O1 1130809256 OIJJRGXPUJPBCI-WUHRBBMRSA-N 378.433 -0.551 30 20 GBED CCOc1cccc(N2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)n1 1136685045 JIKKXFCLNATEAD-UHFFFAOYSA-N 384.396 -0.037 30 20 GBED COc1ccc([C@@H]2C[C@H]2CC(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)cc1 1219824660 KYRXLLVKPWZMSP-OWLYRPNTSA-N 386.452 -0.010 30 20 GBED CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1322696384 WEOGEYQMBPAFNU-MTQSCZBFSA-N 376.413 -0.441 30 20 GBED C[C@@H]1C[C@@H](CCNC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCO1 1324578590 SDHIVUINKSKVJI-JJLJGCLUSA-N 378.429 -0.050 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 1326509348 MJMKERAYDKMYJK-HNNXBMFYSA-N 398.467 -0.415 30 20 GBED CCOC[C@H]1CCCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1328818966 YJZRUNQBDXZFNC-ZGTROFRASA-N 378.429 -0.096 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@H]2CC2(Cl)Cl)CC1 1334333268 SVYZYTCNLFJSOG-SNVBAGLBSA-N 394.288 -0.544 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)N2CCOC[C@@H]2CCO)CC1 1353107367 IEIWZGAOSPKEPL-ZDUSSCGKSA-N 378.454 -0.122 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N(C)CC(=O)N1CCCC1 1520278843 QBYHRZZDJMITBL-UHFFFAOYSA-N 387.444 -0.413 30 20 GBED C=CCNC(=O)Cn1c([C@H]2COCCN2)nnc1N1CCN(CCOC)CC1 1574936168 HMJOKNZXJXPNNR-OAHLLOKOSA-N 393.492 -0.990 30 20 GBED C=CCNC(=O)Cn1c([C@H]2CCCNC2)nnc1N1CCS(=O)(=O)CC1 1574937439 WYBROQFFQLBWRU-ZDUSSCGKSA-N 382.490 -0.718 30 20 GBED C#CCNC(=O)CNCC[C@H](C)NC(=O)C1CCN(Cc2cnn[nH]2)CC1 1575004628 HELFMBMZBRDZQJ-AWEZNQCLSA-N 375.477 -0.750 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@H](C)C(=O)NCc3cnn[nH]3)C[C@H]2OC)cn1 1575032362 AQGOYCMTXDWGDN-CSMYWGQOSA-N 397.439 -0.685 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(NC(=O)CC(=O)NCc2cnn[nH]2)CCC1 1575112780 XYFBAYLUQYKRPH-KGLIPLIRSA-N 390.444 -0.443 30 20 GBED N#CCCN(Cc1ccccn1)C(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O 1581858088 PQANBCDDEMUDOR-UHFFFAOYSA-N 381.356 -0.534 30 20 GBED N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)nc3)C[C@H]2O)[nH]1 1581867885 AEAHKSVUHJJXLD-IUODEOHRSA-N 379.384 -0.169 30 20 GBED C#Cc1ccc(C(=O)N2CCO[C@@H](CNc3cncc(-c4nn[nH]n4)n3)C2)cn1 1588364703 KWBUOUNPVFYXOO-AWEZNQCLSA-N 391.395 -0.014 30 20 GBED N#Cc1cc(S(N)(=O)=O)ccc1N1CCN([C@]2(C(=O)O)CCOC2)CC1 1601091159 RLPBGYNOBDBBIL-MRXNPFEDSA-N 380.426 -0.429 30 20 GBED C#CCN1CCC(C(=O)N[C@H](C)CN(C)c2nccnc2-c2nn[nH]n2)CC1 1602717792 BMWYQHHSQUUUIE-CYBMUJFWSA-N 383.460 -0.057 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)O)c1 1602726608 STQOWNGFMSKSJE-CQSZACIVSA-N 376.394 -0.253 30 20 GBED N#Cc1c(CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cccc1C(=O)O 1608190250 BIARTZMSQQQSKX-CVEARBPZSA-N 379.438 -0.468 30 20 GBED N#Cc1cccnc1N1CCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC1 1609500574 JYOQTMZOEVSRGJ-UHFFFAOYSA-N 394.403 -0.743 30 20 GBED COCCN(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1698027924 WXBFRMNVCKKBGR-HNNXBMFYSA-N 391.476 -0.179 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1753215555 SCIPZDUBSCVPIR-CBBWQLFWSA-N 382.461 -0.514 30 20 GBED CO[C@]1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CCOC1 1769770023 LFICNLMOLCAMJT-IGCXYCKISA-N 376.417 -0.237 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1778968257 QONYJCZECVPRKQ-FZKQIMNGSA-N 377.445 -0.168 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1781135760 ADYTUYQSDDHNPA-SBUVDCAVSA-N 390.484 -0.183 30 20 GBED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1781854586 MZTXCQJOZXZQRP-KDOFPFPSSA-N 396.444 -0.037 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C(=O)OC)CC3)[C@H]2C1 1790883325 AQURKHSZTBNVNF-UGUYLWEFSA-N 392.452 -0.042 30 20 GBED Cc1n[nH]c(C)c1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078090 IRVTWQOYIBZUPC-BPUTZDHNSA-N 388.424 -0.363 30 20 GBED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@@H]21 1791267042 RSDSLUQJPSSTMW-VOAKCMCISA-N 378.516 -0.281 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(CC)COC1)C2 1792490000 DHDZYACOBGNLBZ-ZBMGOPDBSA-N 391.468 -0.139 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(C)noc1N 1795569973 SPKUPWRKARKDKJ-GUIRCDHDSA-N 376.413 -0.193 30 20 GBED CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)ON=C(C)C)C2)C(=O)O 1795645595 NHAPEOYNOLCINJ-USRAEIGSSA-N 398.460 -0.560 30 20 GBED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1 1795850652 BRBIRDMLRVJELD-JLVBRIDZSA-N 377.445 -0.150 30 20 GBED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1 1797679951 ROHRRQCGSXUNKK-FVCICTRLSA-N 378.429 -0.565 30 20 GBED CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801983983 BXEABVKKGLFENC-AGGWBTHJSA-N 393.513 -0.246 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1808269584 PAVSVYXHDDSURQ-QZWWFDLISA-N 389.500 -0.054 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)C1 1829673257 IFPGTLDVTWVUEP-BEFAXECRSA-N 377.441 -0.455 30 20 GBED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1831670135 NUJJUEYALVUURO-GJZGRUSLSA-N 375.425 -0.027 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834242293 XJCMAASDEIHWQN-BEFAXECRSA-N 390.440 -0.472 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1834756269 REOKHGXPYJUYIH-QGZVFWFLSA-N 393.375 -0.234 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1836347113 BGDNZBKKHOXFTQ-MRXNPFEDSA-N 381.458 -0.206 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836417364 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-0.837 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@H](C(=O)NC)C2)ccc1F 273101363 MDQISSSYMLTATG-ZDUSSCGKSA-N 385.417 -0.123 30 20 GBED Cc1ccc(C#N)c(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)n1 287984534 ARLFXLVWANPBNH-CQSZACIVSA-N 384.483 -0.099 30 20 GBED CCNC(=O)C(C)(C)CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 289057945 RBEBHLGWNRJLMY-UHFFFAOYSA-N 386.456 -0.120 30 20 GBED Cn1cc(N2CCN(/C(O)=N/C[C@@H]3CCN(S(C)(=O)=O)C3)CC2=O)cn1 328790599 LMVWLOPSBDKCSE-LBPRGKRZSA-N 384.462 -0.736 30 20 GBED CN1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccc2C#N)CC1=O 349464417 NSEKHUATTQRHOR-UHFFFAOYSA-N 387.443 -0.854 30 20 GBED C[C@@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 349487318 XGINYOLWRHEBPR-SNVBAGLBSA-N 379.464 -0.934 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 349583542 XWZJUQYDUZTIPX-UPJWGTAASA-N 379.504 -0.105 30 20 GBED N#CC1CN(S(=O)(=O)CCCCS(=O)(=O)N2CCSC[C@@H]2C#N)C1 349607345 ZFDQATXNJJBNLY-ZDUSSCGKSA-N 392.528 -0.177 30 20 GBED N#CCNC(=O)CNC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 367732659 BPCPAPAJFZHTSC-LJQANCHMSA-N 381.392 -0.116 30 20 GBED COC[C@@](C)(C#N)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 474263743 FTROKUXYEHBSHB-MRXNPFEDSA-N 382.442 -0.288 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nnnn1CC1CC1 474671296 JCBZPGWYSIMXSD-LLVKDONJSA-N 389.441 -0.062 30 20 GBED N#CCSCC(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 520354319 NBBKAJNOZFCPFC-CQSZACIVSA-N 375.516 -0.019 30 20 GBED N#CC1(NC(=O)CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CCCCC1 533383040 WOGJWEWESNQDOU-HUUCEWRRSA-N 384.502 -0.584 30 20 GBED CNS(=O)(=O)[C@@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 533542065 HPEMRHMXKMYYMY-CQSZACIVSA-N 385.467 -0.377 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(CC(=O)NCC)CC2)CC1 553330802 VDLVLDCXXQOCCM-UHFFFAOYSA-N 379.505 -0.577 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)C[S@](C)=O 570741052 UDEWZOROPPKUIE-GANBNBROSA-N 393.512 -0.078 30 20 GBED CNC(=O)[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)C(C)C 580571086 XDHBXTGPSIXTTP-ZDUSSCGKSA-N 388.471 -0.463 30 20 GBED Cn1c(N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)c(C#N)c(=O)n(C)c1=O 596343600 HXVFMCUDHLVKKQ-GASCZTMLSA-N 393.403 -0.423 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Cn2cnc3c(C)cccc3c2=O)CC1 728532760 JDZQAKMNRCKGDS-UHFFFAOYSA-N 381.436 -0.401 30 20 GBED CCOC(=O)c1cnc(NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)nc1C 807980443 PEHWMVNEQIZRLA-UHFFFAOYSA-N 389.416 -0.129 30 20 GBED Cn1c(N[C@@H]2CCN(c3sccc3C(=O)O)C2=O)c(C#N)c(=O)n(C)c1=O 833038597 CZDRAJJDBRPZHS-SNVBAGLBSA-N 389.393 -0.067 30 20 GBED O=C(O)C[C@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 833216238 LDJASJUGKHXTMR-NSHDSACASA-N 381.410 -0.183 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCC[S@](C)=O)cc1 848941089 CTYPAWKGACJUMN-CWKPULSASA-N 379.485 -0.466 30 20 GBED N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cn(CC(N)=O)nn2)c[nH]1 1002141571 MMMSRGHHJHYOGZ-BZPMIXESSA-N 382.384 -0.861 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C[C@@H]2CC(=O)NC2=O)cn1 1003982383 YFDIDENVSSOPNE-MIGQKNRLSA-N 380.404 -0.023 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2nc(C3CC3)nn2C)C[C@H]1O 1025711174 IJXHPCYDAMQEMU-TUVASFSCSA-N 389.456 -0.486 30 20 GBED Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2N=c2cc[nH]c(C#N)n2)c1 1052702311 GQACDYKSEOMALM-OWTLIXCDSA-N 380.412 -0.968 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCCN1c1ncccn1 1110687617 WNIWJTHZDQMJIR-NCOADZHNSA-N 382.468 -0.084 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 1118140646 TWEZMDWZAOYZIK-LJQANCHMSA-N 386.408 -0.025 30 20 GBED C=CCOCCNC(=O)C(=O)N1CCNC(=O)[C@H]1c1c(C)nc2ccccn12 1118624632 SGKQHKJOKZWZLD-MRXNPFEDSA-N 385.424 -0.039 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1 1119077849 SHWSNZSHAMWJHX-MRXNPFEDSA-N 378.473 -0.351 30 20 GBED COCCN(CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)c1ccc(C#N)nn1 1126568195 GIYCATDNUUJSOW-JLJPHGGASA-N 375.429 -0.031 30 20 GBED CN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 1323306580 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30 20 GBED O=C(C#CC1CC1)N1CCC[C@@H](N(CCO)c2ccc(-c3nn[nH]n3)nn2)C1 1581912535 PCXKMQPBDYRURJ-CQSZACIVSA-N 382.428 -0.140 30 20 GBED C#CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1)C(=O)O 1588404351 AHJYJEJJCLMEHB-LLVKDONJSA-N 387.439 -0.745 30 20 GBED C=C(C)C[C@@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588406509 VIQXBBWIBZOGPW-YPMHNXCESA-N 394.457 -0.023 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 1588499563 JXJNENRTRAOYSG-MEDUHNTESA-N 376.421 -0.761 30 20 GBED C=CCn1cc(C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)nn1 1588710818 CZXRJILVAZHLOC-NSHDSACASA-N 381.404 -0.215 30 20 GBED CC(C)[C@H](NC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O)C(=O)O 1591885689 NKYMDHSLJVDGQR-INIZCTEOSA-N 376.413 -0.222 30 20 GBED C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCN(c3cccc(-c4nn[nH]n4)n3)CC2)C1 1603737591 UTCINMAWHKWKJH-SFHVURJKSA-N 395.427 -0.328 30 20 GBED N#CCSCC(=O)N1CCO[C@@H](CNc2nccnc2-c2nn[nH]n2)C1 1606351548 VRANOOIVEDXZML-JTQLQIEISA-N 375.418 -0.447 30 20 GBED O=C(O)CN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1608749202 RZHNCBMTKJHRFL-UHFFFAOYSA-N 394.453 -0.266 30 20 GBED C#CCNC(=O)CCN1CCN(S(=O)(=O)c2cc(C(=O)O)cs2)CC1 1609159075 VLGYYOYWRBTKMJ-UHFFFAOYSA-N 385.467 -0.108 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](O)C[C@H](C(=O)O)C1 1609783033 HQQOMDYBXSKEOL-DRZSPHRISA-N 381.410 -0.481 30 20 GBED CN(CCS(N)(=O)=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1634187880 ITCSSCWZJPAWIP-AWEZNQCLSA-N 379.442 -0.016 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781045041 KYFRYQLQGOUSMV-LDDOYCOJSA-N 382.461 -0.660 30 20 GBED CCOC(=O)O[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782713661 WOCKAFGMRDJGER-YVEFUNNKSA-N 382.369 -0.534 30 20 GBED N#Cc1ccccc1OCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785383509 RSSKOLXMWBIEBA-HXUWFJFHSA-N 397.387 -0.145 30 20 GBED Cc1onc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1C 1791072646 PRCHXPQQBRCRGR-IHRRRGAJSA-N 375.381 -0.027 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(Br)CC3)C[C@@H]21 1791078342 WLTZWXFUIGWTFK-SRVKXCTJSA-N 399.241 -0.018 30 20 GBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)C=CC1=O 1793619922 AMLFADOUMKFIBI-LSSIXWDNSA-N 381.454 -0.791 30 20 GBED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)CCC(N)=O)c1 1795534414 VMTPUTWUSHFUKY-DFGXFYAUSA-N 399.451 -0.646 30 20 GBED CN(C)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598597 LUBJDJGPAMFDDZ-SCAQPMJSSA-N 379.505 -0.190 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnn1C)C2 1797706597 JARAMKYLXZBSNV-NEBZKDRISA-N 377.445 -0.409 30 20 GBED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2 1797811798 WSPJWUYDNRBXDK-NXJPSLSCSA-N 392.416 -0.463 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2 1799304342 GEHATMKQYSCPGI-XOIINTDNSA-N 384.429 -0.906 30 20 GBED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)nc2nccn12 1799991787 KYGNZFCNDHUUQI-FVCICTRLSA-N 397.391 -0.671 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2 1800226123 XIYPRJGFNYHNIE-WCXIOVBPSA-N 398.504 -0.288 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cc(O)ncn2)[C@H]1c1cccnc1 1812874544 WKXZLKHSWBSTNT-ACJLOTCBSA-N 395.375 -0.015 30 20 GBED N#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822024668 HMUPHXLGGMRVIM-OAHLLOKOSA-N 392.460 -0.008 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)C1 1829671168 VVARDRMWPWZKEH-BXWFABGCSA-N 379.457 -0.868 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1831420519 WLGGLAKYJDMDIX-RDTXWAMCSA-N 383.445 -0.830 30 20 GBED Cn1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)n1 1836059505 OTKLWZVMAKKWQC-LJQANCHMSA-N 387.440 -0.277 30 20 GBED C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1837641051 DQSOGEXFFKTPJB-CRAIPNDOSA-N 390.444 -0.326 30 20 GBED C/N=C(/NC[C@@H](O)C(F)(F)F)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261714060 HOSQDTJGDPUERW-LLVKDONJSA-N 399.395 -0.379 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)[C@H](C)O)CC2)ccc1F 270903066 ZZWLGWIPVACPRB-LBPRGKRZSA-N 399.444 -0.045 30 20 GBED CNS(=O)(=O)c1ccc(NC(=O)NCCCc2[nH]nc(N)c2C#N)nc1 276872163 WCHAKSAYNOTSLE-UHFFFAOYSA-N 378.418 -0.079 30 20 GBED CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 277188672 ZYKSQFXFMLJEQJ-CYBMUJFWSA-N 383.364 -0.804 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O)c1cc[nH]n1 277927545 FQAVVPGAOPPCQE-OHARDZCESA-N 377.357 -0.900 30 20 GBED CC(C)(C)N1C[C@H](/N=C(/O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1=O 330259193 RVWBAMVNOWZNAV-OAHLLOKOSA-N 395.504 -0.224 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3CN)CC2)c1C#N 420021271 TZJMLTJEVNXKTR-HOCLYGCPSA-N 387.488 -0.118 30 20 GBED CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCC#N)c2)CC1 427868366 DLRAJOLDYOOIDL-UHFFFAOYSA-N 393.469 -0.019 30 20 GBED N#Cc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)s1 435432611 JQYHYLHNJPYEFA-NEPJUHHUSA-N 391.496 -0.604 30 20 GBED N#CCc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 453571926 CSXRFLOMSUDEQM-UHFFFAOYSA-N 397.435 -0.016 30 20 GBED COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NCC(=O)NCC#N)c1 508995441 GSBHNGUUYUJDIE-UHFFFAOYSA-N 376.369 -0.045 30 20 GBED CN(CC(=O)NCC(=O)N1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 537373406 ZERZLHUVODPONM-UHFFFAOYSA-N 380.426 -0.846 30 20 GBED C=CC[C@@H](CO)CNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 538221748 HXZQVRZMJPZZFM-CHWSQXEVSA-N 381.454 -0.012 30 20 GBED N#Cc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)nc1 559781325 MFMRILMMYMTITH-UHFFFAOYSA-N 379.380 -0.266 30 20 GBED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCNc2cnccn2)n1 584202729 FUSBSDXMIYREEK-UHFFFAOYSA-N 377.368 0.096 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@H]3COCCN3)n2)c(Cl)c1 599899514 MBIDUFUGUKZPAO-LBPRGKRZSA-N 388.815 0.440 30 20 GBED Cc1nc(CN2CCN(C(=O)C(=O)N3CCN(CCC#N)CC3)CC2)oc1C 601450287 PSTSSLPOXILRNC-UHFFFAOYSA-N 388.472 -0.006 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CCOC 732795648 QUDFDGZZOFTCQB-UHFFFAOYSA-N 375.454 -0.417 30 20 GBED CCOC(=O)N1CCC[C@H](C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 732908189 HUFDPQMNQJVBMR-QWHCGFSZSA-N 385.442 -0.179 30 20 GBED COCCCNC(=O)[C@H](C#N)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 789404365 WVCYNPMMXYSGQW-LLVKDONJSA-N 375.385 -0.949 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[C@H]1CCCO1 812982690 YCAJELOBJAUOGJ-DLBZAZTESA-N 384.436 -0.146 30 20 GBED C#CCN1CCN(C(=O)CN2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)CC1 839673295 VOYAKSBILHAGQO-HNNXBMFYSA-N 399.513 -0.796 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)NCC1(C)OCCO1 848956444 QSMQVRDUCVIKBM-UHFFFAOYSA-N 389.455 -0.128 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c3c(nn2C)CCCC3)CC1 880622670 QMHLVXFTDIGOGF-UHFFFAOYSA-N 380.474 -0.084 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@]34COC[C@@H]3C4)C[C@H]2OC)CC1 942127804 AMWXFIKGAPAIGE-XLSPSMHOSA-N 375.469 -0.290 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC2CS(=O)(=O)C2)C[C@@H]1O 964504564 XLEOVGHRIQVWPI-FQLMCAECSA-N 386.470 -0.910 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@@H]1C 988284399 SBIAVYXRVWNKRY-LLDVTBCESA-N 378.473 -0.495 30 20 GBED Cn1cc(N2CC[C@H](NC(=O)C(=O)NCc3ccc(OCC#N)cc3)C2=O)cn1 1117258020 ILJCMFITLPMCBO-INIZCTEOSA-N 396.407 -0.140 30 20 GBED COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(C)cc(F)cc1C#N 1195661299 NEKILBMTPDPGDL-GFCCVEGCSA-N 390.414 -0.034 30 20 GBED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccccn2)c(=O)n1CC(N)=O 1256376469 DCVKCGKZYYKSBH-GFCCVEGCSA-N 398.444 -0.711 30 20 GBED CS(=O)(=O)NC1CC(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 1258165655 PRNXHVWRJGNHPJ-UHFFFAOYSA-N 392.437 -0.656 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)nn1 1261448900 JZDGMPJQFBBPBW-UHFFFAOYSA-N 380.412 -0.304 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CCCNC(=O)c2ccccc2)CC1 1261914957 UHTDTGOFKZSHJH-UHFFFAOYSA-N 392.481 -0.192 30 20 GBED CN1CCN(Cc2cccc(CNC(=O)C(=O)N3CCO[C@@H](C#N)C3)c2)CC1 1324259365 MGPGMYFHARTLRS-SFHVURJKSA-N 385.468 -0.199 30 20 GBED COc1ccc(CNC(=O)C(=O)NCCOCCS(C)(=O)=O)cc1C#N 1331526378 WUMMPLQGBGSDFR-UHFFFAOYSA-N 383.426 -0.640 30 20 GBED C#CCN1CCN(C(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 1337315433 PIEQOHFOZJAFLP-OAHLLOKOSA-N 385.873 -0.243 30 20 GBED C=CCn1c([C@H](O)C2CC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1338665456 WMADTIWRTIPRHH-QGZVFWFLSA-N 390.488 -0.112 30 20 GBED C=CCn1c(CN2CCC[C@H](O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1340449779 MDTIXPRKMCDLTJ-HNNXBMFYSA-N 398.533 -0.108 30 20 GBED CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCc1ccc(C#N)c(Cl)c1 1343838240 JCHHWDCUJRWPJM-OAHLLOKOSA-N 394.859 -0.021 30 20 GBED CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(C#N)c(F)c2)CC1 1345397112 IMXMWQUNCDAXQB-UHFFFAOYSA-N 375.404 -0.406 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@H]1[C@@H]2CN(C(=O)CCOCc3cnn[nH]3)C[C@H]12 1575073159 NUXRUOHGUZUSBL-ZXFNITATSA-N 377.445 -0.141 30 20 GBED N#Cc1cnc(N2CCOC[C@H]2CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cn1 1581877994 RJZFXJNTKWICCY-GFCCVEGCSA-N 380.372 -0.508 30 20 GBED C=C(C)CN1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1588430816 TZVOKODMCSWDRI-UONOGXRCSA-N 391.457 -0.306 30 20 GBED C=CCCOCC(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588616142 XGWNETYKBNXURP-UHFFFAOYSA-N 375.389 -0.909 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H](C)NC(=O)Cn1cnnn1 1588649106 HSRYBCZOFQAWQC-LBPRGKRZSA-N 396.415 -0.427 30 20 GBED N#Cc1cc(F)cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)O)c1 1601089470 KKOISSBPCNSFCP-NSHDSACASA-N 376.387 -0.040 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(c2ccc(-c3nn[nH]n3)nn2)CCCO1 1602795309 ZJCNZEPVTWHQQI-YVEFUNNKSA-N 388.432 -0.305 30 20 GBED CC(=O)N(CC(=O)O)C[C@H]1CN(S(=O)(=O)c2ccsc2C#N)CCO1 1776201205 WGDJPQZDYRMKCK-NSHDSACASA-N 387.439 -0.058 30 20 GBED C[C@@H](Nc1cnccn1)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779062542 WEFVBXORKGFUPJ-ACJLOTCBSA-N 387.396 -0.805 30 20 GBED C[C@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1781246609 GCQXNLNIPWJQQU-JXFKEZNVSA-N 391.468 -0.351 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1783562720 GOFFIMCAGPXUFM-SFHVURJKSA-N 388.380 -0.803 30 20 GBED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1783885657 KOSUTIPGVXHMNP-ACJLOTCBSA-N 392.481 -0.040 30 20 GBED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)[C@H]2C1 1784524930 UDNHQEJKDMYMEN-PEDHHIEDSA-N 392.543 -0.035 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)[C@@H](C)CC 1793391625 QTKBUGOLOKZAQQ-GOTYEFTJSA-N 393.484 -0.159 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)CC1 1795408128 NZKBJKDRLGQYLH-JJLQDPRZSA-N 388.384 -0.315 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]nnc1C 1795978129 YVKUKDWUEICJFZ-QVHKTLOISA-N 377.445 -0.111 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ccccn12 1796954733 UQMMXBDKKHMJEY-IVWMJMPLSA-N 382.376 -0.375 30 20 GBED C=CCC(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1813060105 BCLMVBHZJXTUCA-YLJYHZDGSA-N 390.484 -0.050 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncon3)C2)C1 1831396375 LBIOFJWSKGPSGG-CXAGYDPISA-N 378.385 -0.822 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1831435277 OLHMUUBAYUHQTO-YJBOKZPZSA-N 386.445 -0.957 30 20 GBED CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831498725 PKYXEJCLWBKQJL-RDJZCZTQSA-N 387.502 -0.467 30 20 GBED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)CS(C)(=O)=O)CC2)CC1 1834572807 XWGVTSNTLGRDHJ-LBPRGKRZSA-N 391.559 -0.079 30 20 GBED CN[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)C(=O)O 1835752448 QHRHPBOYJICQEI-ACJLOTCBSA-N 396.444 -0.945 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1nnc(C)o1)CCO2 1836028511 XJYZDTMVKKTVKR-GOSISDBHSA-N 376.413 -0.210 30 20 GBED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)no1 1840369626 HHVHZDRKDLJLSY-GOSISDBHSA-N 391.380 -0.930 30 20 GBED C=C(C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1)C(F)(F)F 1843235663 MOMCWFKLVKESAE-UHFFFAOYSA-N 397.317 -0.252 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cnc(O)nc2O)C1 1843351494 YQUGZNCOFOKJOY-PLNGDYQASA-N 387.396 -0.437 30 20 GBED C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOCC1 62886882 SAVFUGWUXIQKCS-CYBMUJFWSA-N 394.453 -0.458 30 20 GBED C=CCN1CCC(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 264372063 RCUAQHPFWGCMIU-UHFFFAOYSA-N 393.488 -0.651 30 20 GBED COC[C@@H](O)CCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 371736728 PKUOONGCTAIVFH-LBPRGKRZSA-N 375.360 0.335 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H]4OCC(=O)N[C@@H]4C3)CC2)o1 374025656 YBXJPIKOBFTTRN-HUUCEWRRSA-N 388.428 -0.907 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 374457788 GQOFPOUDNPFGJJ-CQSZACIVSA-N 394.519 -0.407 30 20 GBED CCOC(=O)c1ccc(N2CC(NS(=O)(=O)N3CCO[C@@H](C#N)C3)C2)nc1 409494082 BMCJSRVHFVGIPG-AWEZNQCLSA-N 395.441 -0.494 30 20 GBED CNC(=O)N[C@H]1CCN(c2ccc(C#N)c(N3CC[C@H](NC(=O)NC)C3)n2)C1 436342614 WZNUBQKPBYOSQZ-KBPBESRZSA-N 386.460 -0.031 30 20 GBED CN1C[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)CC1=O 579006563 ONRHXESBTITVHL-NSHDSACASA-N 386.455 -0.660 30 20 GBED COC(=O)[C@@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 580215785 DHQFSNOGMPVRQQ-QWRGUYRKSA-N 389.455 -0.036 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C 591333133 KVZJPXRWDXOQQJ-NEPJUHHUSA-N 395.503 -0.237 30 20 GBED CN(C)CCCN(C)CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 598769722 RAMMNLUUSHHWCF-UHFFFAOYSA-N 381.502 -0.164 30 20 GBED N#C[C@]1(F)CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 615591531 YBCLBHBYOOUERT-MRXNPFEDSA-N 380.401 -0.115 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1=O 726042691 MFLCFGIRFYOEPD-DIFFPNOSSA-N 378.385 -0.051 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1 728535736 DIFGDUUALVCFST-UHFFFAOYSA-N 393.447 -0.196 30 20 GBED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)cn2)c1=O 758079213 GZLLCCKFEGNPBM-UHFFFAOYSA-N 394.456 -0.392 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cn(Cc3cccc(F)c3)nn2)CC1 759184712 SZDOOOXXCATKJS-UHFFFAOYSA-N 384.415 -0.027 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCCN1C(=O)CNC1=O 767680949 OASGKAXIXFWCTF-LLVKDONJSA-N 394.409 -0.290 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Cc2ccnc(O)c2Br)CC1 772207196 NPKUEMNZHRZBBG-UHFFFAOYSA-N 395.257 -0.014 30 20 GBED C=CCN(CC=C)C(=O)[C@H](C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 824397865 BCCOCPBHBJTDFG-LBPRGKRZSA-N 389.412 -0.434 30 20 GBED C#CC[C@@H](CO)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 854542942 SXFNAUQXJWLPMU-GOEBONIOSA-N 395.481 -0.284 30 20 GBED CN(CC(N)=O)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918446854 YLBYUNGZFWOBHZ-RGEXLXHISA-N 395.441 -0.618 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)C3CN(C(C)=O)C3)C[C@@H]21 960978560 PQSKROMYVMIBNY-LTIDMASMSA-N 377.441 -0.506 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)Cn2c(O)nnc2O)C1 982154454 ISJFEFOQPRYBRG-LOWDOPEQSA-N 379.417 -0.319 30 20 GBED C#Cc1ccc(C(=O)N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@@]34COC[C@@H]3C4)C2)cn1 990883763 LWHVVLMHFWYINC-FORWCCJISA-N 392.419 -0.127 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@]34COC[C@@H]3C4)C[C@@H]2n2ccnn2)cn1 990913852 AKQFFGGGZPFHNH-FORWCCJISA-N 392.419 -0.127 30 20 GBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CCc2nnc(O)nc2O)nn1 1092926510 ASCGPJXZFFCDCB-WXHSDQCUSA-N 382.384 -0.197 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1ccnn1 1110489713 ZSAANYMDUZJPHS-MCIONIFRSA-N 375.433 -0.599 30 20 GBED CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1117298083 ZYWOAWRIABMYEN-UHFFFAOYSA-N 396.444 -0.103 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1COc2cc(OC)ccc2C1 1117583865 KMRKYILEUMQTSG-ZDUSSCGKSA-N 382.438 -0.168 30 20 GBED C=CCn1c(CN2CCC[C@H](O)C2)nnc1N1CCN(CC(=O)NCC)CC1 1121634643 VQHCEYANQRNYHK-INIZCTEOSA-N 391.520 -0.321 30 20 GBED CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCc1ccc(OCC#N)cc1 1321598125 KCMMTAALNBZNJA-UHFFFAOYSA-N 396.469 -0.007 30 20 GBED COCCOCCN(C)C(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1325074653 DWCDUGDAEGQRID-AWEZNQCLSA-N 390.444 -0.493 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1325699556 ZCULEGWDRMJGPI-UHFFFAOYSA-N 377.422 -0.135 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1CN(CC(C)C)CCO1 1327317083 SMLXAUBKEJEBID-CQSZACIVSA-N 375.491 -0.824 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2nc[nH]n2)CC1 1557257702 UCPQBTFQUIZMFW-GFCCVEGCSA-N 389.441 -0.308 30 20 GBED C#CCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)CCCc3cnn[nH]3)C2)C1 1575013073 KOBXBRLTIRYYGM-LJQANCHMSA-N 389.456 -0.003 30 20 GBED N#Cc1cc(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)c[nH]1 1581865204 FPXFICWRJMAJBH-GFCCVEGCSA-N 380.372 -0.508 30 20 GBED C=CCn1cc(C(=O)NC[C@@H]2CCCN2c2nccnc2-c2nn[nH]n2)nn1 1588713477 MKVBMJJBYPSUFA-NSHDSACASA-N 381.404 -0.167 30 20 GBED O=C(N[C@H]1CCCN(O)C1=O)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1 1592980229 ABKSDEYDHPEPJH-AAEUAGOBSA-N 385.384 -0.284 30 20 GBED N#Cc1c(N2CCN([C@@]3(C(=O)O)CCOC3)CC2)cccc1S(N)(=O)=O 1601083390 XWAFUQQQDMIKAS-INIZCTEOSA-N 380.426 -0.429 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1602867024 RZHUPWGZWAKJOW-PIGZYNQJSA-N 389.416 -0.521 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)O)CC1 1602901508 NHFXZZSQDIXGDJ-LBPRGKRZSA-N 376.417 -0.168 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782679033 GKIBPKJFIHGNJA-BDJLRTHQSA-N 382.442 -0.291 30 20 GBED NC(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1783149289 WDZVTFGMGPWTPB-HGMDMCOWSA-N 376.413 -0.206 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3ccncc13)CCO2 1783561706 HFDBWDJCAUHQRD-SFHVURJKSA-N 383.364 -0.739 30 20 GBED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nccnc1C(N)=O)CCO2 1783907809 MQDXKGZLZWMNFV-IBGZPJMESA-N 385.424 -0.178 30 20 GBED Cc1cc(C)n(CCC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n1 1784321209 KVWRLFDQTQFHKV-LJQANCHMSA-N 388.424 -0.192 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncnn3C)[C@H]2C1 1785846822 JZWHDUDJDSDWHI-QPSCCSFWSA-N 377.445 -0.001 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCOC)[C@H]2C1 1786637123 DSFCXKWKIFZOLM-QAETUUGQSA-N 382.457 -0.333 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN(C)C 1795433504 POELLWCJYQEGJU-XOGJXXCJSA-N 378.473 -0.614 30 20 GBED CN1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)C1 1795602256 DBASYJYKDUSFBH-MUJYYYPQSA-N 377.489 -0.581 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CC)C2)C1 1829762998 XEQOGCONWUFILK-OHLRXGENSA-N 395.456 -0.928 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(OC)OC)CCO2)C1 1831028388 KMXLXSINSNFVFY-KDOFPFPSSA-N 386.445 -0.347 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1834756058 LEYAOSMDLOPNHT-IBGZPJMESA-N 392.456 -0.241 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1835357223 LFCKGWGJWWFGOU-QGZVFWFLSA-N 391.384 -0.738 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1836298343 UAEKAZXOMOHBOM-RDTXWAMCSA-N 391.428 -0.779 30 20 GBED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](N)CN)CC3)CC2)CCC1 1838077386 MWLHAMQHNUDJOF-INIZCTEOSA-N 377.489 -0.035 30 20 GBED Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1839713461 NARUXIIAVJWHSM-GOSISDBHSA-N 375.429 -0.048 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1839810633 JWFBLQNLXPUNMS-GOSISDBHSA-N 381.429 -0.399 30 20 GBED C=CCN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H]1CCS(=O)(=O)C1 182652541 AQKNTNCWVAZNIV-GFCCVEGCSA-N 381.458 -0.891 30 20 GBED CN(C)C(=O)CN/C(=N/C[C@@H]1CCCO1)N1CCN(c2cnn(C)c2)C(=O)C1 262307639 PBMSBEYBVJKQBQ-HNNXBMFYSA-N 391.476 -0.719 30 20 GBED CN(C)C(=O)CN/C(=N\C1CCOCC1)NC[C@H]1COC2(CCOCC2)O1 262329725 UUHIVMJEGNUNGI-HNNXBMFYSA-N 384.477 -0.289 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 264016806 JHAWCPSKFLALHU-UHFFFAOYSA-N 389.387 -0.169 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)C(=O)N(C)C2=O)cc1 265042367 OSKHSNOCMJJIEF-UHFFFAOYSA-N 394.409 -0.148 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc3c2OCCO3)CC1 266988531 BRXIIXLDORQOIJ-UHFFFAOYSA-N 393.465 -0.096 30 20 GBED C[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)N1CCN(C)CC1 268802666 JTRBBVAHLXZNAH-LSDHHAIUSA-N 393.513 -0.023 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NCC3CC3)CC2)cc1 276260132 AYEFORKTCCXZJI-UHFFFAOYSA-N 376.438 -0.083 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NN2C(=O)N[C@](C)(CC)C2=O)c1 278263242 ABRSMGIDDWHVOM-MRXNPFEDSA-N 378.410 -0.037 30 20 GBED CC[C@H](/N=C(/O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(=O)N1CCOCC1 330113039 CLGYIQYHMVZHCX-JKSUJKDBSA-N 395.504 -0.224 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N=c1nc[nH]n1C 349468760 JRKWEMCXMWYUHO-NSHDSACASA-N 398.470 -0.040 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1C[C@H]2[C@H](O)CC[C@H]2C1 349599038 APAUWENOHZUQMZ-BFHYXJOUSA-N 379.504 -0.416 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCCN2CCN(Cc3ccccc3)CC2)CCO1 409592585 VUDWQDIYCGHOQW-GOSISDBHSA-N 393.513 -0.137 30 20 GBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 459909078 DZSQZLBTZRYWLC-OAHLLOKOSA-N 399.517 -0.131 30 20 GBED Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472868641 LHNJNFZVKIDYID-UHFFFAOYSA-N 397.439 -0.105 30 20 GBED CN(C)CCNC(=O)Cn1cc(NC(=O)CNC(=O)c2ccc(C#N)cc2)cn1 474099439 PITSEVSGYZWEDK-UHFFFAOYSA-N 397.439 -0.199 30 20 GBED N#Cc1ccc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)cc1Br 498793270 CLGHDKLTNJABAE-UHFFFAOYSA-N 394.185 -0.073 30 20 GBED C=CCSCCNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 513641156 WVNNQDADCHEFMX-UHFFFAOYSA-N 381.458 -0.284 30 20 GBED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CC(N)=O 526038247 SDHBYIRSDVZZAY-UHFFFAOYSA-N 387.465 -0.363 30 20 GBED COC(=O)CN(CC#N)C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 565604272 NQUJLHKPAVYHEX-UHFFFAOYSA-N 397.409 -0.349 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)CCC(C)(C)C#N 580637596 BOVDCQCYPVQTDO-LBPRGKRZSA-N 375.447 -0.364 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 602249894 WXKLCACJZJDVOY-NSHDSACASA-N 375.351 -0.676 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CC(=O)N(C[C@H]2CCCN2CC)C1 785644320 PWNHJJGXITXHKN-ZIAGYGMSSA-N 380.445 -0.126 30 20 GBED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NC)CC1 799765998 LJKUPWXSGREDOK-UHFFFAOYSA-N 399.494 -0.255 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H](C#N)C1CC1 820445599 QZBIHSZWCIQIBW-NOZJJQNGSA-N 375.414 -0.048 30 20 GBED COC(=O)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)O 831128815 NSBQBQGVEPENDX-JOYOIKCWSA-N 383.382 -0.642 30 20 GBED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N[C@@H]2CCCN(O)C2=O)C1=O 848135335 BSQQABGDDBICCY-XIKOKIGWSA-N 390.396 -0.041 30 20 GBED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCN(O)C2=O)C1 848138308 OMJLMFZRYLNZOV-QWHCGFSZSA-N 399.473 -0.076 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N[C@]2(C)CCOC2=O)c1 848954455 FUSXTWPINOTPQE-IINYFYTJSA-N 387.439 -0.139 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccc(O)nc2=O)C[C@H]1C 950930059 XMWDLFFWNSTQSY-OEUWWYETSA-N 390.440 -0.107 30 20 GBED C#CCN1CCC(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)CC1 969291168 YXIAFPIXAIWCFC-IIMDRIAPSA-N 389.496 -0.021 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ncn(C)c1=O 1000564050 RPNRUXHUCMEKOB-MRLBHPIUSA-N 375.429 -0.579 30 20 GBED CN(CC(=O)N1CCN(c2cnc(C#N)cn2)CC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1096913337 FJFFBFYNOTURAJ-LCEIHVTHSA-N 396.451 -0.121 30 20 GBED CNC(=O)Cc1noc(CN2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CSCC#N)n1 1110301934 PEOMPKGVTCCUQS-UTUOFQBUSA-N 378.458 -0.164 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)Nc1nccs1 1110461775 IDSWRRWHKBMFMI-UPJWGTAASA-N 375.454 -0.057 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1c1cncn1C 1131035597 IQPVLQFVZRYZSS-JPZLZDEASA-N 397.479 -0.523 30 20 GBED COc1ccccc1C(=O)N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1148544578 PUUJXQYAPYNZBS-UHFFFAOYSA-N 397.391 -0.186 30 20 GBED CS(=O)(=O)CCOc1ccc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cc1 1261602535 WSUYRJIGOZPLIX-QGZVFWFLSA-N 395.437 -0.074 30 20 GBED C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCCN(C(=O)CNC(C)=O)CC2)C1 1335087498 ZOMHYVLTDKLJND-MRXNPFEDSA-N 378.473 -0.002 30 20 GBED C=CCn1c(C)nnc1S(=O)(=O)[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 1340091168 SYHWDBYNYLWOKJ-ZYHUDNBSSA-N 390.487 -0.420 30 20 GBED N#Cc1c2c(cn(CN3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c1=O)CCC2 1343771203 PRNAARSBMSVFPB-OAHLLOKOSA-N 376.482 -0.029 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NCCOc1cccc(F)c1 1345157128 UQKKIMOHZNHFJI-FOCLMDBBSA-N 390.371 -0.037 30 20 GBED C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1348146931 SKNYNNMQTRJMHJ-HOTGVXAUSA-N 391.472 -0.717 30 20 GBED CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1349259332 OCHGGQRSRLSEHU-ACJLOTCBSA-N 396.444 -0.384 30 20 GBED C=C[C@](C)(O)CC(=O)NC1(CO)CCN(c2nccnc2-c2nn[nH]n2)CC1 1573310274 VVFGEHQGPFOWFH-INIZCTEOSA-N 388.432 -0.569 30 20 GBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nn1 1573348382 PZEJHEDBXDHKLD-NSHDSACASA-N 382.388 -0.383 30 20 GBED C[C@H](C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 1573571157 ZSTTVUBGDPNHNT-PIGZYNQJSA-N 384.400 -0.202 30 20 GBED N#Cc1ccc(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[nH]n3)nn2)[nH]1 1581867371 FXUZEWWMAHSMHL-NSHDSACASA-N 380.372 -0.508 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@H](C)CN=c1cc[nH]c(-c2nn[nH]n2)n1 1588404030 COZSKOAPZRWFPQ-DGCLKSJQSA-N 387.448 -0.192 30 20 GBED C=C[C@](C)(O)CC(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nn[nH]n3)n2)C1 1588501067 IUNUYXNPDCAIGA-SJCJKPOMSA-N 388.432 -0.068 30 20 GBED C[C@H](C#N)C(=O)N1CCN(CCCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1588928649 VUBCLWVXAIBXAO-GFCCVEGCSA-N 385.432 -0.381 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@H]2COCCN2c2cncc(-c3nn[nH]n3)n2)c1 1592686708 QGUGIEOPTWRABB-LLVKDONJSA-N 380.372 -0.508 30 20 GBED N#Cc1cc(C(=O)NC[C@@]2(O)CCN(c3ccncc3-c3nn[nH]n3)C2)c[nH]1 1606359810 FDYIIMQEKHEEBI-KRWDZBQOSA-N 379.384 -0.167 30 20 GBED C[C@@H](C(=O)OCC(=O)NCc1ccc(C#N)cc1)n1cnc(-c2nn[nH]n2)n1 1609071540 IHCNYVBYLTWAPE-JTQLQIEISA-N 381.356 -0.250 30 20 GBED CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1748267824 OBLFYRZLJHQKQN-NSHDSACASA-N 383.478 -0.236 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C3(Br)CC3)C2)C1 1781347731 GUEQEERBTLZIDU-AWEZNQCLSA-N 385.214 -0.168 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783152007 QKKJYYPHTXSIHP-SFHVURJKSA-N 381.429 -0.409 30 20 GBED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](COC)NC(C)=O)C2 1793569139 UDJFRZKFJABPIF-BTYMGIQYSA-N 379.457 -0.186 30 20 GBED C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 1793579046 FJZGZFRPBXYBDN-RGDJUOJXSA-N 378.429 -0.186 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOC2=O)C3)CC1 1795409120 ZVSLUDHKFXCQJM-AGGWBTHJSA-N 376.413 -0.278 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C=CCN1 1796311145 UHKFLFDDHHPXEA-FZKCQIBNSA-N 375.473 -0.614 30 20 GBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnncc1C(=O)O 1798103482 QWIXVMSXVNNEDP-ORXSELOVSA-N 380.426 -0.304 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C 1799374957 SMOFWWFCNNBYQN-JBXGNFEISA-N 394.472 -0.002 30 20 GBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1802022138 XBJOYVJARBCUFU-JLVBRIDZSA-N 397.497 -0.585 30 20 GBED N=C1NCCN1CC(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1809751361 SGPATXOVIXWHTD-UHFFFAOYSA-N 375.429 -0.854 30 20 GBED CN[C@H](CC(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1)C(=O)O 1809840121 YDDIEVPGFDZYBT-CYBMUJFWSA-N 379.413 -0.632 30 20 GBED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccnn1)CCO2 1836214843 ZAKHJNIWTVVUHE-LJQANCHMSA-N 389.456 -0.072 30 20 GBED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839212634 FRNQZJQFWSHYTE-IFXJQAMLSA-N 392.456 -0.387 30 20 GBED C[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840025232 ZXZTVBFWKSZJEA-LPMWRXPISA-N 379.413 -0.464 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1840158513 MXUWZAKPUMLEAG-PXAZEXFGSA-N 398.485 -0.631 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCn1ccnn1)CCO2 1840449612 RLFFAXGTHDCOEC-LJQANCHMSA-N 389.456 -0.072 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCOCC)CCO2)C1 1840520974 LQNGRNVUAGZCGJ-APWZRJJASA-N 382.457 -0.092 30 20 GBED C#CCNC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 8469942 OAVOXUBSHJSXFK-UHFFFAOYSA-N 396.421 -0.378 30 20 GBED C=CCNC(=O)COC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 10689423 JFWHBLUGSLGGIX-UHFFFAOYSA-N 395.437 -0.063 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)C1=O 266742690 WMOTXHGBUORSRS-LLVKDONJSA-N 379.442 -0.401 30 20 GBED O=C(C#Cc1ccc2c(c1)OCO2)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 268525442 HDNCPQYVNVPVBU-LSDHHAIUSA-N 392.433 -0.619 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1 293679752 HCWXQKWJBLFKSQ-CQSZACIVSA-N 399.494 -0.296 30 20 GBED CC(=O)N1CCN(C(=O)CC/N=C(/O)N2CCO[C@@]3(CCCOC3)C2)CC1 329249615 XEQWCQVDESLDQB-SFHVURJKSA-N 382.461 -0.137 30 20 GBED CNS(=O)(=O)[C@@H]1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 372147895 ARPBLAZBKMHDTR-CYBMUJFWSA-N 396.473 -0.873 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CCO1 409566979 HBBVWRMYALVLMB-ZDUSSCGKSA-N 399.473 -0.310 30 20 GBED C=CCOC[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)OC 481562691 CUMYBHDLOSZNIZ-LBPRGKRZSA-N 383.382 -0.761 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)NCc2cccs2)C1=O 493833588 DPBKKMDUSJQQHV-UHFFFAOYSA-N 378.410 -0.201 30 20 GBED COC(=O)C1CCN(S(=O)(=O)N(CCC#N)CCN2CCOCC2)CC1 500074559 QFBZMHLWEFNAAS-UHFFFAOYSA-N 388.490 -0.336 30 20 GBED COc1cc(C#N)ccc1NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1 525901633 RGTOAPIKUGAZIM-AWEZNQCLSA-N 376.413 -0.343 30 20 GBED CC[C@H](C)NC(=O)CCNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 551835179 LCRUUBBRFQZTLI-NSHDSACASA-N 377.449 -0.324 30 20 GBED CCN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1=O 580117127 CJZLEMAKTCJOLX-INIZCTEOSA-N 397.435 -0.534 30 20 GBED N#CCC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(C#N)cn2)C1 595963624 AVGFLBDXXRZJRW-UHFFFAOYSA-N 383.455 0.260 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1 599937100 DECBQEUEEPGZEU-HUUCEWRRSA-N 378.454 -0.496 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(NS(C)(=O)=O)c2)C1=O 664849591 CTGXINOYVSLUSY-UHFFFAOYSA-N 394.409 -0.349 30 20 GBED C#Cc1cccc(NC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)c1 755206052 WJPVXILAEVBBCW-LBPRGKRZSA-N 389.437 -0.177 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](c2ncon2)C1 771472232 FWKQMBWTMDCOCE-LLVKDONJSA-N 377.382 -0.292 30 20 GBED Cn1nc(C(F)(F)F)cc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 853322787 CZFHOZUMLDRHSQ-UHFFFAOYSA-N 394.335 -0.851 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 875596896 VSWYESXQDGVOLO-HOTGVXAUSA-N 378.473 -0.704 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 957600621 UVNNYSZEBYVQRH-FPCVCCKLSA-N 378.473 -0.638 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C)cc2=O)C[C@H]1O 1023942473 YOHGZSUUBVCPPV-JFOHDYCDSA-N 375.425 -0.034 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)CN(C(=O)C(N)=O)[C@@H]1COC[C@@H]12 1026109540 OALUKTYHKHASID-JONQDZQNSA-N 391.468 -0.081 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)C(=O)NCCCOC 1110466553 SWPWHNOASSVYIW-JJXSEGSLSA-N 378.473 -0.611 30 20 GBED C[C@H]1CC(=O)N[C@@H](C(=O)NCc2nc([C@H]3CCO[C@H]3CNCC#N)n[nH]2)C1 1130212902 JZHVQBKGPXUIRK-XQHKEYJVSA-N 375.433 -0.679 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1)[C@@H]1CCCO1 1256966776 FYYGFQJMINJDBK-CVEARBPZSA-N 393.465 -0.313 30 20 GBED N#Cc1ncn(CCNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)n1 1322490179 LNKZBPGMRZXEDO-UHFFFAOYSA-N 388.453 -0.190 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1ccccc1NS(C)(=O)=O)[C@@H]1CCCO1 1323782510 SVQCSORXCXYBQC-ZFWWWQNUSA-N 379.438 -0.029 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)OC)c1 1329564757 KFRURJQIFNONLC-UHFFFAOYSA-N 386.430 -0.553 30 20 GBED CN(Cc1cn(C)nn1)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1330983419 OFNDGGBMJNYMEQ-MRXNPFEDSA-N 395.423 -0.043 30 20 GBED COCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 1343983160 QFCUJWFKNHIGKI-HNNXBMFYSA-N 394.453 -0.046 30 20 GBED C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC 1574759428 KBSZCUPYCKVAEF-RHSMWYFYSA-N 396.517 -0.178 30 20 GBED C=CCn1cc(C(=O)N(C)[C@H](C)CNC(=O)[C@H](C)OCc2cnn[nH]2)nn1 1575112812 ZALRJFSJKRGQKN-NEPJUHHUSA-N 376.421 -0.236 30 20 GBED C#CCNC(=O)[C@H](C)N1CC=C(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1588353570 XCFMPCQZKXXIEW-LBPRGKRZSA-N 382.428 -0.305 30 20 GBED C#CCNCc1cn([C@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nn1 1588354161 RMRASFLCNCZNAC-ZDUSSCGKSA-N 380.416 -0.014 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[nH]n3)nn2)C1 1588356603 YHJBVGPNVUTHDS-STQMWFEESA-N 386.416 -0.276 30 20 GBED C#Cc1cncc(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)c1 1588380954 QNPXWMUSMZESBB-AWEZNQCLSA-N 391.395 -0.332 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C)C[C@H](C(=O)O)C1 1593338704 BGUKHDUIBXDVTF-JSGCOSHPSA-N 394.453 -0.300 30 20 GBED C#CCOCCC(=O)N[C@@H]1C[C@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)C12CCC2 1602729263 MEAXDCIOHNMFOP-QWHCGFSZSA-N 382.428 -0.042 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)Nc1ccccc1-n1cnc(-c2nn[nH]n2)n1 1602802810 COZPYOLTOFLOJY-JTQLQIEISA-N 383.372 -0.297 30 20 GBED CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)Cn2cnc(C#N)n2)CC1 1644494500 SAZPJDXWFGQZLG-INIZCTEOSA-N 381.440 -0.349 30 20 GBED Cn1ncnc1C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134885 PJPLNPSTMAMPJB-ABQTWSPHSA-N 386.412 -0.029 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1783108434 QYDCYUUZXNUFRO-SCLBCKFNSA-N 378.429 -0.420 30 20 GBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCN(C(C)=O)CC1)CCO2 1785426013 DQIQWRAFGXXWLL-HXUWFJFHSA-N 390.484 -0.606 30 20 GBED C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1792922864 UNHURVFJOXDJLA-DFGXFYAUSA-N 392.500 -0.063 30 20 GBED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)o1 1831801231 JDGYPIWQVHBQGH-SFHVURJKSA-N 376.365 -0.254 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC)nn1)CCO2 1838353317 KMDSGCTVLIAVMJ-LJQANCHMSA-N 388.424 -0.031 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1840165711 HRJWGSZUCTYKSO-BBRMVZONSA-N 383.474 -0.557 30 20 GBED N#Cc1ccnc(N2CCN(CC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)CC2)c1 25941082 WQCNTVWNJXAGDM-UHFFFAOYSA-N 395.423 -0.275 30 20 GBED C#CCNC(=O)[C@H](C)On1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21 267464708 ULMZSBZWHQOJHX-LBPRGKRZSA-N 393.425 -0.981 30 20 GBED C=Cn1cc(/C=c2/s/c(=C(/C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cn1 278027015 QQCVHSWUTCMQIV-ZWWMINTRSA-N 397.460 -0.096 30 20 GBED COCCCN(CCO)C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 297657345 BMHWAUMSBQUCED-UHFFFAOYSA-N 375.429 -0.541 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 349480488 XVYMHRPEYRBIAL-UXXRCYHCSA-N 391.515 -0.011 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2CO)nc1 349518291 NQNBIZKMDOPVBJ-ZDUSSCGKSA-N 388.471 -0.128 30 20 GBED CN1CC[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C2(C#N)CCC2)C1=O 349559694 XBNHGXZAQWIUGU-LBPRGKRZSA-N 392.503 -0.766 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCCS(=O)(=O)N2CC[C@@H](O)C2)c1C#N 349590559 MDAWWJGHWQXSCJ-LLVKDONJSA-N 391.475 -0.492 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCC[C@@H](N(C)C)C3)CC2)c1C#N 410468354 LYNPJXDHPFGJRV-OAHLLOKOSA-N 387.488 -0.199 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(CC)[C@H](c3ncc[nH]3)C2)C1=O 410882534 IWDOAJYDGIVLEE-GJZGRUSLSA-N 388.472 -0.140 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)NC[C@H](O)COc2ccc(F)c(F)c2)n1 444574433 VNCXSXBNLPZZID-NSHDSACASA-N 393.350 0.570 30 20 GBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1C#N 465408889 VHYCDYRVMZYPES-GFCCVEGCSA-N 389.430 -0.379 30 20 GBED CN1CCC[C@H](NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1=O 498855703 OJTBNDJWDIRNFM-KRWDZBQOSA-N 383.452 -0.061 30 20 GBED CCn1c(=O)c2ccccc2n2c(Cn3c(=O)c(C#N)cn(C)c3=O)nnc12 514521189 LNEBXXRNENWKDC-UHFFFAOYSA-N 377.364 -0.156 30 20 GBED NS(=O)(=O)NC[C@H]1CCCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 528381921 RSNWVSMTMLWKSB-CQSZACIVSA-N 390.465 -0.209 30 20 GBED C=CCN(CCOC)C(=O)C(=O)NC1CCN(S(=O)(=O)CCC)CC1 555966575 OOOUPHBURJRTSU-UHFFFAOYSA-N 375.491 -0.032 30 20 GBED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC(=O)NCC#N)CC2)cc1 557721659 KTRCCUHYKUAORW-UHFFFAOYSA-N 393.469 -0.943 30 20 GBED COC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)C#N)cc1 573020533 OCPBLHNTXMURRD-SNVBAGLBSA-N 375.428 -0.330 30 20 GBED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)s1 608912166 OIDUZNQVVTYSHZ-UHFFFAOYSA-N 390.490 -0.207 30 20 GBED C=CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1-c1nn[nH]n1 735428234 JCUVPDKSZHIGOR-JTQLQIEISA-N 394.413 -0.621 30 20 GBED CC[C@@]1(C)NC(=O)N(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 784861378 JOVAZLWAVTUIDO-MRXNPFEDSA-N 393.425 -0.133 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)[C@H](C)CN2CCOCC2)c1=O 788376523 HHEOFAYYXUSMHG-OAHLLOKOSA-N 379.461 -0.846 30 20 GBED C#CCn1ccc(CN(CC)C(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)n1 790119451 YYXVWPXBNUEUOV-ZDUSSCGKSA-N 378.458 -0.035 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)c1=O 819759521 YROVJTJJPKLCAL-AWEZNQCLSA-N 397.395 -0.543 30 20 GBED CCOC(=O)Cn1cnc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)n1 824456209 XQSQMVKIAIFUEY-SEYXRHQNSA-N 377.361 -0.511 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCCN2C(=O)CCC)CC1 831560982 MEPVULZNOYJERM-OAHLLOKOSA-N 384.502 -0.221 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@H](N3CCOC3=O)C2)c1 857311595 WWFPXFRBYRENMT-ZDUSSCGKSA-N 378.410 -0.110 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 875596898 VSWYESXQDGVOLO-JKSUJKDBSA-N 378.473 -0.704 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(=O)Nc2cc(C)on2)C[C@H]1OC 946822257 MORILZFPEVIMCD-YIYPIFLZSA-N 392.412 -0.145 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c(C(N)=O)c1 960422640 HUSRSXDWDJMTBK-SYAUCNOPSA-N 388.424 -0.244 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1n1ccnn1 990962886 WJNGJFTZPBPWDW-OJLVUWQFSA-N 383.412 -0.159 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@@H]2CCS(=O)(=O)N2)n1 1055036847 WTPDILWBAWORNL-RFGFWPKPSA-N 376.442 -0.426 30 20 GBED C#CCNC(=O)CC(=O)N1CCOC2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2 1068384371 VCEYNCKLKFFPRR-KFWWJZLASA-N 375.425 -0.867 30 20 GBED CN(C)S(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccncc1C#N 1093052951 MJCNRRLSPSLVSH-NFAWXSAZSA-N 378.458 -0.425 30 20 GBED N#Cc1ccc(CNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1F 1118036672 JJAOCEGOIVTOSW-UHFFFAOYSA-N 387.415 -0.264 30 20 GBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1188602629 KENPBHDOWQCMMN-JJXSEGSLSA-N 378.473 -0.366 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1cccnc1N1CCOCC1 1322066597 HIVJFGPOUXPLPC-UHFFFAOYSA-N 396.469 -0.749 30 20 GBED N#Cc1cnc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c(Cl)c1 1325617323 YEEVZGIHFCJBGD-UHFFFAOYSA-N 381.805 -0.129 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 1326675655 NNPSJHOMHUDXBM-DNZUHHBVSA-N 389.456 -0.427 30 20 GBED CCOC(=O)c1csc(CCNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)n1 1326922085 WDGXIUDDIKWNMD-MRXNPFEDSA-N 380.426 -0.144 30 20 GBED C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329453629 MWIVTPWNKDIMAT-ZBFHGGJFSA-N 377.489 -0.511 30 20 GBED N#CC1CCC(CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 1343824886 BNCOJANLMLXOIE-UHFFFAOYSA-N 389.456 -0.618 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)CCO1 1348227529 PDFYNXADUAEKGL-HNNXBMFYSA-N 387.396 -0.998 30 20 GBED C[C@H](C#N)C(=O)N1CCC(OC2CN([C@H](C)C(=O)NCc3cnn[nH]3)C2)CC1 1575175547 BIWGJLUVPHNJDW-CHWSQXEVSA-N 389.460 -0.339 30 20 GBED C[C@@H](C(=O)NCc1cnn[nH]1)N1CCC(CO)(NC(=O)C#CC(C)(C)C)CC1 1575220428 KZOLWAAQLTXOEM-AWEZNQCLSA-N 390.488 -0.198 30 20 GBED CCN(CCC#N)C(=O)CN1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1577909433 QPYFXMOPKJHLDN-ZDUSSCGKSA-N 385.432 -0.239 30 20 GBED CO[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1579863504 GTWGCBKKJFPTIB-CHWSQXEVSA-N 380.372 -0.510 30 20 GBED Cc1c(-c2nn[nH]n2)c(=O)n(CC(=O)N[C@@](C)(C#N)C(C)C)c(=O)n1C1CC1 1580520742 BMFKJQSFKCMSAV-KRWDZBQOSA-N 386.416 -0.112 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CNCc1cc(F)ccc1-c1nn[nH]n1 1588357674 OLEZANUVRDCCCB-SMDDNHRTSA-N 376.392 -0.389 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@H]1CC(=O)O 1593334378 PWCCUMUBCILPCE-DGCLKSJQSA-N 381.410 -0.073 30 20 GBED C#CCN(C(=O)[C@H]1C[C@H]1C(N)=O)C1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 1602716269 BFPRTVOHNOBVFV-OLZOCXBDSA-N 395.427 -0.791 30 20 GBED C=CCOCCCC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@H]1O 1602871397 QFKWAAYUSQZUCM-ZIAGYGMSSA-N 388.432 -0.386 30 20 GBED C[C@@H](C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1)n1cnc(C#N)n1 1602997997 DDTURSHNYMRTKY-NSHDSACASA-N 379.388 -0.365 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(O)CCOC1 1723930178 WMRINVUDYZJQHH-BLLLJJGKSA-N 398.489 -0.220 30 20 GBED CC(C)(C)OC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783401886 XNPXRCYBEQTGER-GOSISDBHSA-N 395.412 -0.571 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1783563631 VNBDZCFMYZYYCM-IBGZPJMESA-N 382.376 -0.134 30 20 GBED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1783901525 RNAIXKNJKQALGB-RLFYNMQTSA-N 384.546 -0.230 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)OC)C2)C1 1784259324 DWNSJTSJSRLCMB-SCLBCKFNSA-N 383.445 -0.255 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSCC(=O)O)C2 1793360379 LERNWCHRJHAJDW-JFILPPLUSA-N 386.470 -0.015 30 20 GBED C[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083251 GGMZBSNPTZHHFC-ZJOBFFGXSA-N 385.424 -0.297 30 20 GBED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1)N1CCN(C)CC1 1795411412 NINIBRXCLUEIIB-WCXIOVBPSA-N 389.500 -0.484 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C)n1)C2 1797707769 ZTEHDISDQLVIBD-XJFOESAGSA-N 377.445 -0.409 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N(C)CC 1800158050 ZFPNPSQVQCKVQP-JTVGABBVSA-N 392.500 -0.225 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)Cn2nccn2)[C@@H]1c1cccnc1 1812880093 MXJITRKNINKMFN-KBXCAEBGSA-N 382.380 -0.533 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN(C)C(C)=O)CCO2 1832298745 NDEFCLFZVKYMLH-IBGZPJMESA-N 379.457 -0.275 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838806115 XIDQVANGKKNPCB-BZNIZROVSA-N 385.442 -0.445 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840190285 NZGNTEMNSRGUMS-KRWDZBQOSA-N 399.469 -0.190 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840379629 CZBIOBXIFQNRIX-MRXNPFEDSA-N 394.457 -0.343 30 20 GBED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)n1cncn1 1840416986 BTATVIUFELMNDM-KDOFPFPSSA-N 388.428 -0.401 30 20 GBED C=CCNC(=O)NC(=O)CN(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10043739 PACPWDRDSKVEQG-UHFFFAOYSA-N 386.412 -0.385 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)NS(=O)(=O)c2ccc(C)cc2)c1=O 279345702 IUMSDUDZJFROSM-UHFFFAOYSA-N 376.394 -0.285 30 20 GBED C#CCNc1nc(N2CCNC(=O)[C@@H]2CC)nc(N2CCNC(=O)[C@H]2CC)n1 290852864 XNYPEDMVOQJCBX-BETUJISGSA-N 386.460 -0.654 30 20 GBED C#CCNc1nc(N2CCNC(=O)[C@H]2CC)nc(N2CCNC(=O)[C@H]2CC)n1 290852867 XNYPEDMVOQJCBX-CHWSQXEVSA-N 386.460 -0.654 30 20 GBED CC1(C#N)CN(S(=O)(=O)CCCS(=O)(=O)N2CCCn3nccc32)C1 349473897 IRURXCDODZOFFA-UHFFFAOYSA-N 387.487 -0.012 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](N2CC=CC2)C1 349474232 JJCHKJHDTQFJAV-UONOGXRCSA-N 376.504 -0.516 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCC(F)(F)CN)C[C@]12C(=O)Nc1ccccc12 420152757 PNWSRBYZSUMPHT-QGHHPUGFSA-N 377.351 -0.431 30 20 GBED C=CCOC[C@H](NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1)C(=O)OC 435951129 VFWAOGZTGBSGCZ-AEGPPILISA-N 380.401 -0.821 30 20 GBED CN(C)C(=O)NCCN(C)C(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 459912145 HHFJEAGKYJEPQD-UHFFFAOYSA-N 386.456 -0.064 30 20 GBED COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2OC)C1=O 545295503 IMJPNFKZWJDXMK-ZDUSSCGKSA-N 388.380 -0.214 30 20 GBED CNC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)NC1(C#N)CC1 567627537 VQIAEXOESHPFIP-SNVBAGLBSA-N 386.455 -0.566 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 590981579 PXRORVRURQXJDN-UONOGXRCSA-N 387.444 -0.476 30 20 GBED C[C@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1ncc(C#N)s1 594636240 XMYFDEMYYWIQGT-UWVGGRQHSA-N 394.500 -0.069 30 20 GBED CC(C)(C#N)C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 598593915 CSOYKUONVSOXGH-LBPRGKRZSA-N 384.458 -0.014 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 600427055 YIRSRVOPOFMDKJ-JTNHKYCSSA-N 385.467 -0.083 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](O)[C@@H]1CCCO1 600760697 LALHTRJJJFYJLJ-NEPJUHHUSA-N 389.455 -0.693 30 20 GBED COC(=O)CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 610151156 CQZIWYXFLHHYPG-UHFFFAOYSA-N 375.428 -0.376 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(N3CCNCC3)n2)cc1 646800837 PXJCNOVKEBRPQT-UHFFFAOYSA-N 391.457 -0.069 30 20 GBED C[C@]1(c2ccccc2)NC(=O)N(NS(=O)(=O)N2CCO[C@H](C#N)C2)C1=O 800130049 CLKHLQLREJSJTR-IUODEOHRSA-N 379.398 -0.573 30 20 GBED C#Cc1cccc(NC(=O)CN(C)C(=O)c2nc(N)nc(N3CCOCC3)n2)c1 816891059 HLLSDCWJCAVHJN-UHFFFAOYSA-N 395.423 -0.018 30 20 GBED CN(C[C@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)N1CCO[C@@H](C#N)C1 819881738 TWGRWAASUGSGMP-NEPJUHHUSA-N 378.451 -0.727 30 20 GBED C#CCOc1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)NCC(=O)OC)cc1 842227690 XPDKZAKLWOIJOH-HNNXBMFYSA-N 387.392 -0.083 30 20 GBED N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 919818392 LBWMGCDMFWFDHQ-OAHLLOKOSA-N 397.478 -0.167 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2c(C)nc(C)nc2O)C1 963326560 VNWNVIMOSZOCGN-OJLVUWQFSA-N 390.440 -0.379 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](OCC)[C@H](CNC(=O)c2nnn(C)n2)C1 982950706 FAQCEELUQHYNRL-BARDWOONSA-N 392.460 -0.215 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)N2CCNC(=O)C2)cn1 1098245663 WFMJYOUUIYKDLN-ZACQAIPSSA-N 381.436 -0.644 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1110716192 QCHIWADEAPJUML-BLUODKFWSA-N 390.362 -0.306 30 20 GBED N#CCN1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 1116201593 ABIOLBZSDNCKQI-RBSFLKMASA-N 382.486 -0.626 30 20 GBED C[C@H]1CN(c2ccc(CNC(=O)C(=O)N3CC[C@@](O)(CC#N)C3)cn2)CCO1 1118210575 JLXRORANSFWBBB-LIRRHRJNSA-N 387.440 -0.200 30 20 GBED C[C@H]1Oc2c(cccc2C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)NC1=O 1122496924 RYSZNLDBFTVPLM-ZYHUDNBSSA-N 391.405 -0.015 30 20 GBED C=CCNC(=O)CN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1131369652 RKNOSCYSXZOYNY-LCEIHVTHSA-N 390.484 -0.638 30 20 GBED C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 1171943270 PGRWXDKEJUXOIR-KCPJHIHWSA-N 375.404 -0.021 30 20 GBED C[C@H]1CC2(CCNCC2)CN1C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1326143065 QYJOZGWNDDUVPQ-ZGTROFRASA-N 389.456 -0.380 30 20 GBED C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CCC[C@H](C#N)C2)CC1 1335544909 WHZMFPSGBKBXFY-HZPDHXFCSA-N 375.473 -0.096 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2CCc2cccc(F)c2)CC1 1337013754 JMOBFAQITVXHCW-UHFFFAOYSA-N 393.448 -0.356 30 20 GBED N#C[C@@H]1C(CN2CCN3C(=O)C(=O)NC[C@H]3C2)=CC(=O)n2c1nc1ccccc12 1340898483 SUQACCJQWCVXQV-UONOGXRCSA-N 390.403 -0.134 30 20 GBED CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1342101564 WBUNGKFALHCPTE-VCHHOEMESA-N 391.428 -0.902 30 20 GBED CO[C@]1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1554725370 YKQXGJIJKLAYBP-KSSFIOAISA-N 390.444 -0.065 30 20 GBED C#CCNC(=O)CC(=O)NC[C@@]1(C)CCN(C(=O)[C@@H](C)OCc2cnn[nH]2)C1 1575004327 DKMIKLJLCKBNAS-FZKQIMNGSA-N 390.444 -0.796 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575013416 OVRGEIAAANSJDC-UXLLHSPISA-N 388.472 -0.085 30 20 GBED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CCN(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575072956 MJCDIIVIZFEPNH-FZKQIMNGSA-N 392.460 -0.243 30 20 GBED N#Cc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)cn3)C[C@H]2O)c[nH]1 1581865474 KHTONRLXOYGUPM-UONOGXRCSA-N 379.384 -0.169 30 20 GBED C=C[C@](C)(O)CC(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nn[nH]n3)n2)C1 1588501066 IUNUYXNPDCAIGA-PXAZEXFGSA-N 388.432 -0.068 30 20 GBED C#CCN1CCC(C(=O)N(C)[C@@H](C)CN=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1602718249 PTKWUQKFKDQCTP-ZDUSSCGKSA-N 383.460 -0.317 30 20 GBED CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1603083381 RXUTVMGTJIWGKJ-OAHLLOKOSA-N 375.393 -0.164 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782658314 BABGPZFSJJFMKM-DNVCBOLYSA-N 388.424 -0.889 30 20 GBED C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567250 KRCGEUCHKJDXQH-KUHUBIRLSA-N 387.392 -0.233 30 20 GBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCNC3=O)CCO2 1785425859 ASDREEIWRKDEOA-FQEVSTJZSA-N 399.451 -0.127 30 20 GBED N=C(N)SCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1786852523 ZBTWLPZMTPMNTO-SRVKXCTJSA-N 382.442 -0.929 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)C3)[C@H]2C1 1790856565 MHIFNXLQOQBOAK-QXKUPLGCSA-N 377.441 -0.860 30 20 GBED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1793257016 NLDILJSIGZMUAW-ZSBFGKGUSA-N 387.396 -0.206 30 20 GBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)C=CC1=O 1793619923 AMLFADOUMKFIBI-OVZMXSCWSA-N 381.454 -0.791 30 20 GBED C[C@@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1799290936 ZAEPQAVOKZUROQ-XLMAVXFVSA-N 391.468 -0.591 30 20 GBED CCOC(=O)O[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800779080 RORBUFWGYFJVLL-MCYUEQNJSA-N 382.369 -0.774 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)[C@@H]1c1cccnc1 1813137338 WWNAGYBNOFAPJJ-MUKKUYKPSA-N 398.419 -0.298 30 20 GBED C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816674383 QDYLJKAPUGFVNG-ZETCQYMHSA-N 384.381 -0.872 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4CCC(=O)NC4)CCO3)C2)CC1 1829949717 IPQBHDLYQJRUPH-LIRRHRJNSA-N 390.440 -0.727 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)[nH]n3)C2)C1 1831397249 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GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCCn2cc(CO)nn2)c1 290547344 JBUQSXBNTDJEMG-UHFFFAOYSA-N 377.426 -0.498 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 292222952 AEIJOMROJWCULB-PMPSAXMXSA-N 379.457 -0.066 30 20 GBED CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 294360289 QIZCDNVDZMRSBE-UHFFFAOYSA-N 389.231 -0.075 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=O)OC)C(=O)OC)c1 298133465 IFLUTCJBUUZFFS-ZDUSSCGKSA-N 384.410 -0.015 30 20 GBED CCS(=O)(=O)N1CC(C/N=C(/O)[C@H]2C[C@H](OC)CN2S(C)(=O)=O)C1 329884300 SGLMCKYMOHWIHY-NWDGAFQWSA-N 383.492 -0.727 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](N2CC=CC2)C1 349478492 SHOBUOWAADSKCL-AWEZNQCLSA-N 376.504 -0.562 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCc2c[nH]nc2C1 349612065 IJNATHGFLGEIBP-LBPRGKRZSA-N 375.476 -0.638 30 20 GBED Cn1c(N)c(C(=O)CN2CCC(C#N)(c3ccccn3)CC2)c(=O)n(C)c1=O 370295884 XVHCUJFPHPDYFD-UHFFFAOYSA-N 382.424 -0.199 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC(=O)NC(=O)C23CCCCC3)n1 377011130 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GBED C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N 568646515 HWHGKFOLFLVYKS-ZRUHOGSISA-N 399.560 -0.231 30 20 GBED C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC(=O)N1 571333517 OGOXJXAWTINHIV-QWRGUYRKSA-N 378.410 -0.342 30 20 GBED C[C@@H]1CC[S@@](=O)CCN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N 574099997 RJKRBAUCNITMDX-VERVWZFWSA-N 399.560 -0.229 30 20 GBED Cc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)c1 608911555 JBHROGKUBSIRQU-UHFFFAOYSA-N 384.461 -0.269 30 20 GBED C#Cc1ccc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cn1 729027667 CYOCKGLRJDBZPJ-INIZCTEOSA-N 391.449 -0.449 30 20 GBED O=C(CNc1ccc(-c2nn[nH]n2)cc1)NCCN/C(O)=C1/N=CC=CC1=O 737896298 VWUZAXLCRYEALW-ICFOKQHNSA-N 382.384 -0.079 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(C)s2)c1=O 758090320 PSBXSXGXCODAQO-UHFFFAOYSA-N 388.474 -0.426 30 20 GBED C=CCOC[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)OC 797761337 FMXOCUAOZIWQMU-LBPRGKRZSA-N 382.394 -0.309 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2cccc(C(=O)O)c2)c(=O)n1CCOC 820631448 WBWDYNBCUPBCOO-UHFFFAOYSA-N 387.417 -0.497 30 20 GBED CC1CCC2(CC1)NC(=O)N(NC(=O)Cn1cnc(-c3nn[nH]n3)c1C#N)C2=O 824919350 UHQKVQZIOIUBRM-UHFFFAOYSA-N 398.387 -0.533 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](Cc1cnc[nH]1)C(=O)O 833764377 DLTCWCZZWLTVDM-NSHDSACASA-N 377.382 -0.740 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 875596026 GTEMSKNJPOUJGM-HUUCEWRRSA-N 385.486 -0.443 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C=C)C[C@@H]2O)nn1 964279752 WFQDZRZDWSBFAT-VDERGJSUSA-N 375.429 -0.253 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H]1CC 985159150 MPIKDNTXJGJAJJ-BARDWOONSA-N 392.456 -0.033 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@@H]1C 988284991 WQNVIKTZNBRYLP-DVZHBHJUSA-N 390.444 -0.536 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C 993629975 FAMXXZAWIBVGSG-JLNYLFASSA-N 375.429 -0.703 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CC(=O)NC1=O 1005106910 CXUSMOJWDGUYDE-POQQGIQPSA-N 376.413 -0.623 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(OCC)cn2)C1 1024439146 LIAHNCHIGGGSHY-NGFQHRJXSA-N 376.413 -0.232 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1n1ccnn1 1070047661 CXODCICYVQZBPX-IVSAIRAKSA-N 376.461 -0.263 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CC2(C1)CS(=O)(=O)C2 1109447480 OOBYWSDFRDCLDI-RDBSUJKOSA-N 380.470 -0.828 30 20 GBED C=C(Br)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNS(=O)(=O)NC 1109563156 JWODFNDZIGLSGC-VWYCJHECSA-N 381.296 -0.330 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cncn1 1111369757 OPEWMBXVNMTZIK-DGAVXFQQSA-N 375.433 -0.600 30 20 GBED CN1CCN(CC(=O)N(C)c2ccc(NC(=O)C(=O)NCCC#N)cc2)CC1 1116831269 SKXUNYIVJVELEA-UHFFFAOYSA-N 386.456 -0.135 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1 1117633568 CWXZWQLLFLSLSZ-UHFFFAOYSA-N 383.426 -0.719 30 20 GBED N#CCNC(=O)CN1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1130405845 PZOYVGYXZNDWIK-MPCCQONLSA-N 398.467 -0.122 30 20 GBED C=CCOCCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1c1cncn1C 1131070104 FTBTUVCEMIPVCM-TXCZRRACSA-N 391.472 -0.460 30 20 GBED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1 1261342715 HUFVLOPUTPREBE-KSSFIOAISA-N 379.436 -0.394 30 20 GBED CNS(=O)(=O)N1CCN(C(=O)CCc2c(C)nn(CCC#N)c2C)CC1 1324275424 RVPFHMKOYINJOZ-UHFFFAOYSA-N 382.490 -0.045 30 20 GBED CC(C)[C@@H]1C[C@H](NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCO1 1328816761 PFOKQIXPABDRNH-UIUQPETLSA-N 378.429 -0.051 30 20 GBED N#Cc1cccc([C@H]2CN(C(=O)C(=O)N[C@@H]3CCS(=O)(=O)C3)CCO2)c1 1337881449 UMIMGKGBPGLQDU-HUUCEWRRSA-N 377.422 -0.239 30 20 GBED C=CCN1CCC(NC(=O)C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)CC1 1341898959 PTJGGWOHORKERE-YJYMSZOUSA-N 391.472 -0.410 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC[C@H]1N1CCN(C)CC1 1345974165 VZMDXOCAFAOUCU-MDZRGWNJSA-N 377.489 -0.652 30 20 GBED C=C(Cl)C[C@H](Nc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C)C(=O)OCC 1571234993 PBDBCBZRPJMEIY-QMMMGPOBSA-N 383.796 -0.250 30 20 GBED C[C@H](C#N)C(=O)N1CC2(CC[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)O2)C1 1573561899 OIZDOQIENIQHGJ-ZYHUDNBSSA-N 384.400 -0.156 30 20 GBED C=CCCO[C@H](C)C(=O)N[C@H]1[C@@H]2CN([C@H](C)C(=O)NCc3cnn[nH]3)C[C@@H]21 1575099848 FPRFXMNOXLWVJC-HPCJDURASA-N 376.461 -0.163 30 20 GBED C=CCNC(=O)CN1CC(N2CCN(C(=O)CCCCc3cnn[nH]3)CC2)C1 1575103606 GVXGJKMRLAGTBO-UHFFFAOYSA-N 389.504 -0.352 30 20 GBED C#CCNC(=O)[C@@H](C)N1C[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C1 1588353392 QCUSYNBHEIXXJU-UPJWGTAASA-N 382.428 -0.664 30 20 GBED C#CCOCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)c(C)n2)C[C@H]1O 1588362316 ZRBSQGFAKBUTES-LSDHHAIUSA-N 385.428 -0.334 30 20 GBED C=CCn1cc(C(=O)N(C)[C@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C2)nn1 1588710829 DUGIERVYPXVOIJ-NSHDSACASA-N 381.404 -0.215 30 20 GBED C=CCn1cc(C(=O)NC[C@H](C)N(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 1588713229 HZCXRTDBLPKAFD-JTQLQIEISA-N 384.404 -0.137 30 20 GBED Cc1ccc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)O)cc1S(=O)(=O)NCC#N 1600331875 QPGHLCOUIOHUDI-LBPRGKRZSA-N 394.409 -0.836 30 20 GBED C#CCOCCC(=O)N1CCC(O)(CNc2cncc(-c3nn[nH]n3)n2)CC1 1602727552 PIBJZKSFWKRHPF-UHFFFAOYSA-N 386.416 -0.538 30 20 GBED COc1cccc([S@](=O)CC(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1633550218 MFKNDYAARMTPET-AREMUKBSSA-N 376.394 -0.247 30 20 GBED CC(C)(C)OC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1793592758 LVDMPXGRMXTBJJ-DPIQGUFMSA-N 380.397 -0.604 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nccn2c1 1797081385 IDKJXFBNEVAUTI-ZSBFGKGUSA-N 382.376 -0.375 30 20 GBED CC(=O)NCCC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812663330 JMZVJGREOHLNLD-BEFAXECRSA-N 386.408 -0.298 30 20 GBED N=C(N)SCC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812876685 UELCAWHFGMSRAX-WBMJQRKESA-N 389.437 -0.198 30 20 GBED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CN)CC2 1814978505 QKNOWKNVEWCDAS-QWRGUYRKSA-N 393.517 -0.377 30 20 GBED C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1)n1cnnn1 1825675076 UCQQHJXHWRBYBE-RKDXNWHRSA-N 389.397 -0.609 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CC=C)C2)C1 1829773250 DUKYRLZOWJGSOQ-RURPWVQCSA-N 377.441 -0.123 30 20 GBED O=C1C[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CCN1 1831225303 RHQNCFSOLXKTHB-UZLBHIALSA-N 389.452 -0.618 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832201463 GLFCIIBKDRFIQK-IBGZPJMESA-N 398.423 -0.199 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1832454455 OOAFMVWSNLFKHN-QGZVFWFLSA-N 395.485 -0.196 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1834765794 VLPAQALMVFIWME-LJQANCHMSA-N 386.408 -0.231 30 20 GBED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1)n1cncn1 1835363823 APZHGAWHGCKAOW-YOEHRIQHSA-N 376.417 -0.401 30 20 GBED COCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837526196 BVUIAPAPWHXJEM-UIKAKUSXSA-N 399.444 -0.382 30 20 GBED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)CC1 1839894985 CQYVKJMVDFGALF-SFHVURJKSA-N 393.440 -0.054 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1840160704 PXDLRVJATWBZFE-QMTHXVAHSA-N 396.412 -0.129 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840568997 ZVMPGBSRKFSZAA-KXBFYZLASA-N 381.473 -0.405 30 20 GBED O=C1NC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC2(O)CCCCC2)O1 1847848061 LIPZYQUZENKOPO-KKUMJFAQSA-N 375.425 -0.005 30 20 GBED C[C@@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 61363525 OAIALWUINWWNLI-SSDOTTSWSA-N 385.409 -0.250 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)cs3)CC2)CC1 267687376 CYMZEUFANHNKJA-UHFFFAOYSA-N 383.499 -0.130 30 20 GBED CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)cn1 269517776 RVPPNPQIHVHVOO-UHFFFAOYSA-N 395.423 -0.212 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N(C)[C@H]1CCN(C)C1=O 349476615 HRYRPWYOYDBQAI-NEPJUHHUSA-N 380.492 -0.958 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCN2C(=O)CC[C@H]2C1 349590171 LGKUKBVGQUSTQH-STQMWFEESA-N 392.503 -0.766 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)CCO1 409503331 SCDFDHXJZQEVBM-GVDBMIGSSA-N 380.470 -0.319 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CNC[C@@H]32)C[C@]12C(=O)Nc1ccccc12 423719125 BYXAFCNBNDLCNU-CJOHGPIESA-N 379.420 -0.321 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@]2(C#N)CCOC2)cc1 478647288 DKEOBWWCRVXCDL-INIZCTEOSA-N 381.410 -0.060 30 20 GBED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C)n(CCC#N)n1 505054637 MHSOOIZUXRZBHT-LBPRGKRZSA-N 382.446 -0.416 30 20 GBED CC(C)(C)C(=O)Cn1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nn1 530270399 IJGUSVVNTNOHRB-UHFFFAOYSA-N 385.384 -0.276 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCc2nc[nH]n2)cc1 573862013 BDQZNIKYGUSMLL-LLVKDONJSA-N 398.470 -0.142 30 20 GBED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@@]2(C(N)=O)CCOC2)CC1 582368001 QQSKAPCYTXAAKT-GUYCJALGSA-N 377.470 -0.309 30 20 GBED CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1 600050381 JXFXMDWNIXSHOK-UHFFFAOYSA-N 385.424 -0.112 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 741375328 SOQRYBSSDIAUKB-UHFFFAOYSA-N 398.416 -0.379 30 20 GBED C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCO)s1)C(=O)N(C)CCC#N 745146971 WUXBKQWFUUXPPM-SNVBAGLBSA-N 389.455 -0.064 30 20 GBED CCc1c(C(=O)OCCn2ncc(C#N)c2N)cnc2c1c(=O)n(C)c(=O)n2C 754534741 SXKRCAFPQXZNBJ-UHFFFAOYSA-N 397.395 -0.298 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(NC(C)=O)cc2)CC1 761036181 BROVUESDTFXTBK-UHFFFAOYSA-N 393.469 -0.331 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(F)cc1[N+](=O)[O-] 783856425 BZRFXXDHPYUMJK-UHFFFAOYSA-N 399.360 -0.166 30 20 GBED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCNc1ncccc1C#N 787757547 FJDBAHCKZLGKHQ-ZDUSSCGKSA-N 394.457 -0.978 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)CC1 800000383 CSWHSLVUQWKWCZ-AWEZNQCLSA-N 395.551 -0.083 30 20 GBED CC#CCS(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 810773603 CDONOESIBKAPTR-UHFFFAOYSA-N 386.451 -0.210 30 20 GBED CCCCN(C(=O)Cn1cnc(-c2nn[nH]n2)c1C#N)[C@H]1CCS(=O)(=O)C1 825281701 JDSYMVBGFVRCHJ-NSHDSACASA-N 392.445 -0.249 30 20 GBED Cc1nonc1NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@](F)(C#N)C1 848958685 XSRCTGUTDIQUML-LLVKDONJSA-N 381.411 -0.223 30 20 GBED COC(=O)[C@H]1CC[C@H](C(=O)OC)N(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 862040404 IQKXISSCKKTNJZ-CMPLNLGQSA-N 377.357 -0.702 30 20 GBED CCN(C[C@H](C)C#N)C(=O)COC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 919067276 FNUJAORRKQORJG-LLVKDONJSA-N 387.396 -0.203 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)NCCNc1ncccc1C#N 920092979 LDPOEVLPNREOPM-UHFFFAOYSA-N 378.396 -0.024 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(CCOC)c2)C[C@@H]1O 970702381 QGAIZBBKOZMYPJ-WCVJEAGWSA-N 378.429 -0.578 30 20 GBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cncn3C)C2)nc1 970704674 YWJVRIOYQMCXJA-SZXPJGKVSA-N 379.420 -0.098 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 982156050 YNXLBQSPMXCQPL-JLNYLFASSA-N 390.444 -0.631 30 20 GBED C#CCOc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nnn(C)n1 998940555 RLWUPBBVJCPYGJ-XBFCOCLRSA-N 381.396 -0.207 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@H]1O 1023958728 TUZCSDBETWNYDH-FPCVCCKLSA-N 390.440 -0.698 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2cnc(O)n(C)c2=O)n1 1055163894 NTUSZYDFZHBAIR-XBFCOCLRSA-N 381.396 -0.004 30 20 GBED C#CCNC(=O)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1074555659 CLPNROMDMUHFCZ-KFWWJZLASA-N 377.441 -0.837 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 1118563858 WLBHTZKNARMYLM-KGLIPLIRSA-N 388.490 -0.966 30 20 GBED C=CCn1c(CS(C)(=O)=O)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1121605697 IFHFIYPHQZCCQY-UHFFFAOYSA-N 396.517 -0.247 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1c1cn(C)cn1 1130680355 MFGPYZZASJJKQR-XHHISWJOSA-N 385.468 -0.379 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCNS(=O)(=O)NC(C)C 1261196792 MHOUDSLRQUCODU-QWHCGFSZSA-N 376.479 -0.968 30 20 GBED C#CCN1CCN(C(=O)CSc2nnc([C@@H]3CCS(=O)(=O)C3)n2C)CC1 1319370257 WIFIUCFLFFBTGZ-CYBMUJFWSA-N 397.526 -0.413 30 20 GBED N#Cc1ncn(CCNC(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)n1 1323104203 JCXDLHINNPXWRL-UHFFFAOYSA-N 387.375 -0.120 30 20 GBED CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 1325903722 QQPAVVJQAMHMJX-LLVKDONJSA-N 388.409 -0.277 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1329794139 CLMJXDRFFHWWMN-HNNXBMFYSA-N 387.502 -0.385 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1342002483 PBGQQDUDZZHVBX-HNNXBMFYSA-N 398.419 -0.190 30 20 GBED C=C(C)Cn1c(C2CCN(C)CC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1342541355 HHQPZEPTUOFNFX-OAHLLOKOSA-N 387.488 -0.190 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCc2ccccc2NC1=O 1346568118 YCPYYNDYMBRHMT-CQSZACIVSA-N 379.438 -0.227 30 20 GBED CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCO1 1349345612 YZKUKINNLQPCRQ-SCLBCKFNSA-N 396.444 -0.384 30 20 GBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ccc(-c3cnn[nH]3)nc2)[C@H](OC)C1 1574985927 PLWRMVRCPCRDQU-CSMYWGQOSA-N 397.439 -0.566 30 20 GBED C#C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCO1 1609019510 VXQJVKXYSDWCLK-KGLIPLIRSA-N 390.425 -0.558 30 20 GBED C[C@@H](C(=O)OCC(=O)NCc1ccc(-c2nn[nH]n2)cc1)n1cnc(C#N)n1 1609071437 FMWKTEWMDOPEIS-JTQLQIEISA-N 381.356 -0.250 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CCCN(CC(N)=O)C1 1609493521 OCRFOICYACZKGQ-HUUCEWRRSA-N 382.428 -0.385 30 20 GBED CC(=O)N(CC(=O)O)C[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CCO1 1776201219 XPTXSRCYZCEHLN-CYBMUJFWSA-N 382.398 -0.724 30 20 GBED CCOC(CC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)OCC 1784166228 DGZJRUHQYAVHEX-SFHVURJKSA-N 382.413 -0.307 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cnnn3)C[C@@H]21 1784505902 YYKYIIQXHVQYFT-YXMSTPNBSA-N 392.460 -0.195 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnnn3C)C[C@@H]21 1788572075 ZVZMSUJLFZMWGR-SDADXPQNSA-N 391.472 -0.019 30 20 GBED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2 1795275068 QKVUSKMAAOARBF-HATOLVCRSA-N 397.475 -0.040 30 20 GBED C=CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825666461 CTGJHGCIUJXEDT-VHSXEESVSA-N 390.421 -0.166 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc[nH]3)CCO2)C1 1833712758 OOQPRJPPYIOLHS-KDOFPFPSSA-N 376.413 -0.482 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)nc1)CCO2 1837852403 WSXPRQIUXIZTKP-GOSISDBHSA-N 391.355 -0.621 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1839163285 JTMVACZGYNYMRL-HDMKZQKVSA-N 398.460 -0.622 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)n3ccnc3n1)CCO2 1839550416 IQTPYSNENBHMAR-LJQANCHMSA-N 383.408 -0.259 30 20 GBED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1839890160 KXUKCTRJTNXPBP-INIZCTEOSA-N 389.399 -0.210 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1840041843 KNHRZIWLPCNKEZ-IBGZPJMESA-N 387.392 -0.832 30 20 GBED Cc1cnn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c1 1840159389 BJCZNOYCRVUDGU-RHSMWYFYSA-N 382.486 -0.034 30 20 GBED Cc1cnn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)c1 1840159391 BJCZNOYCRVUDGU-YOEHRIQHSA-N 382.486 -0.034 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840571122 YIFIURNANPRWQK-OXQOHEQNSA-N 395.500 -0.423 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1840840850 PVSBMZHBEUKEDP-DNVCBOLYSA-N 377.441 -0.618 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](O)NC(=O)OCC)C1 1844155653 DWGWWMPGEXFLNE-XHPSBEMXSA-N 394.428 -0.887 30 20 GBED Cn1c(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C#N)c(=O)n(C)c1=O 13104724 ZCOONEFZOMWGIH-UHFFFAOYSA-N 389.437 -0.533 30 20 GBED C=C(C)C/N=C(/NCC(=O)N(C)C)N1CCN(C(=O)[C@H]2CCCN2C)CC1 262331531 VDZCTEVDNYTIGF-MRXNPFEDSA-N 378.521 -0.165 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2S(C)(=O)=O)CC1 265072761 VTVAOJRQHVTJQO-UHFFFAOYSA-N 377.466 -0.013 30 20 GBED CC(=O)NCCNC(=O)CCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 267363461 LZZRAMOPYRVJKE-CQSZACIVSA-N 395.460 -0.010 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC2(N3CCOCC3)CC2)cc1 290521413 UPFYQSFINLIFRR-UHFFFAOYSA-N 378.454 -0.182 30 20 GBED CS(=O)(=O)NC[C@H]1CCCCN1/C(O)=N/C[C@H]1CCCN1S(C)(=O)=O 328748254 QKKJLHXWZQSXIJ-CHWSQXEVSA-N 396.535 -0.272 30 20 GBED CC/N=C(/O)CN1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 329892322 AEMKSSBQMHPTNQ-DLBZAZTESA-N 392.460 -0.561 30 20 GBED N#Cc1ccccc1CN1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 331997356 XOSZYWDVHXQORP-KRWDZBQOSA-N 376.482 -0.021 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCn2cncc2C1 349502706 OLUKYIIYEQQEPI-LBPRGKRZSA-N 375.476 -0.408 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cnc(OC)c(C(N)=O)c2)C1=O 440271730 AHMCSZUGFTVFCK-LBPRGKRZSA-N 375.385 -0.627 30 20 GBED CC#CCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 440613177 MQIIGOUFZYJDFG-UHFFFAOYSA-N 395.437 -0.206 30 20 GBED Cc1nn(C)c(N2CCN([C@@H](C)C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1C#N 472156780 NISAFLRKNHMIHY-KBPBESRZSA-N 394.501 -0.586 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC2(O)CCC2)cc1 514798739 NUQVNTJIXSSXIR-UHFFFAOYSA-N 398.466 -0.082 30 20 GBED C=CCN(C(=O)CNS(=O)(=O)CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 530636779 ZMJOKQTVXLATHM-CYBMUJFWSA-N 382.504 -0.468 30 20 GBED COC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)C2CC2)cc1 563898626 NBDPDFDQHQTTMM-UHFFFAOYSA-N 387.439 -0.185 30 20 GBED CNC(=O)CN1CCC(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 578940939 NJDPTXUIVPAHHN-UHFFFAOYSA-N 393.469 -0.837 30 20 GBED CC(=O)NCCN(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 592338906 GQMXXTHUMUVRJP-INIZCTEOSA-N 385.424 -0.630 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)OC)[C@@H]2CCC[C@@H](OC)C2)C1=O 593344726 BTCGVXBHALEEBE-BZPMIXESSA-N 395.412 -0.174 30 20 GBED CC(=O)N1c2ccccc2C[C@H]1C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732909112 YNIXFZZXWAUNPV-HOCLYGCPSA-N 389.433 -0.070 30 20 GBED CCOC(=O)N1CCN(C(=O)CN(CCC#N)CCN2CCOCC2)CC1 761769772 XKBODXOLSCMFHC-UHFFFAOYSA-N 381.477 -0.165 30 20 GBED C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn(C)c2)c1=O 794647741 UDAXZRFUSNFDDQ-CQSZACIVSA-N 382.445 -0.225 30 20 GBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1 799287108 MZAHIMDISDEMSD-CQSZACIVSA-N 397.453 -0.560 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)CCOCC(F)(F)F)CC1 809818179 COKKHUUYYNWFLG-UHFFFAOYSA-N 385.408 -0.348 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(-n3cncn3)c(F)c2)CC1 820370818 YZMFUDVQAFVHIE-UHFFFAOYSA-N 378.433 -0.008 30 20 GBED O=C(N[C@H]1CCCN(O)C1=O)[C@H]1CCC[C@@H](C(=O)N[C@@H]2CCCN(O)C2=O)C1 820477096 UNYULCYAIYNGLQ-KPWCQOOUSA-N 396.444 -0.214 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1 831556120 ICFZIRSMMVWQMK-LLVKDONJSA-N 396.391 -0.991 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1nnn(C)c1C)C(C)C 848962873 BBYYOBPKKPALOX-GFCCVEGCSA-N 377.492 -0.167 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H]1C 940383383 LHVAYHZZLPVBBO-GBOPCIDUSA-N 390.440 -0.748 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)c(O)n1 960891704 JBSCPLWOSSRLGZ-UQOMUDLDSA-N 376.413 -0.231 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn(C)c2OC)C1 969438077 BXCPYDQKBMQJLK-RZFFKMDDSA-N 378.429 -0.289 30 20 GBED C#CCN1CCC(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 970848326 KBFFYHJLZDHGNP-DZVNLGKHSA-N 375.469 -0.413 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cc2nc[nH]n2)C[C@H]1OCC 983346859 DKPLZGCEFQCGAI-APIJFGDWSA-N 377.445 -0.082 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1n1ccnn1 990882341 XYLPOODSETUSEO-ATGSNQNLSA-N 387.400 -0.176 30 20 GBED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2CCCS2(=O)=O)n1 1055228038 SOLSCIZIXUJPRY-AGIUHOORSA-N 376.442 -0.390 30 20 GBED N#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 1070379660 WTKNMXUPNLISOV-DLTWYDFYSA-N 375.473 -0.113 30 20 GBED N#CCNC(=O)CN1CC2(C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)c3nccn32)C1 1101634146 NVSVKLWSFKSIRZ-REISYBLGSA-N 396.451 -0.482 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(C)(C)NC(=O)NCC=C 1110155946 HEOWDZPFHQMIEN-ILXRZTDVSA-N 375.473 -0.279 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN(C)CC(=O)NC(C)C 1110768499 CWJRYSYIZCKGQZ-OAGGEKHMSA-N 379.505 -0.534 30 20 GBED C=CCSCCNC(=O)C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1117146324 DHHGQRTYZNJMCL-SWLSCSKDSA-N 376.500 -0.126 30 20 GBED CCS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cc1 1118152445 XYLHBCYNBQFCAZ-KRWDZBQOSA-N 379.438 -0.027 30 20 GBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N2CCC(C(=O)OC)CC2)CC1 1118365726 LKUBTNVVPCLBGS-HNNXBMFYSA-N 378.473 -0.847 30 20 GBED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN2C(=O)CNC2=O)cc1 1317956476 ZHKSAKBZPXOWSB-CPNJWEJPSA-N 393.425 -0.010 30 20 GBED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCNC(C)=O)C1=O 1318174923 CLVOFEMBDLRCOR-CYBMUJFWSA-N 391.453 -0.011 30 20 GBED Cc1nnc(CCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1C 1322487746 KPNYCBBUQKVJQL-UHFFFAOYSA-N 376.442 -0.089 30 20 GBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 1328817191 YKIZORNVMJOCSH-DOMZBBRYSA-N 390.437 -0.945 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 1328817192 YKIZORNVMJOCSH-IUODEOHRSA-N 390.437 -0.945 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 1329996958 YSDFEJBEIHNXTM-UHFFFAOYSA-N 390.531 -0.800 30 20 GBED N#C[C@@H]1CNC[C@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 1332517434 RDEDCGAOFXYARF-BXUZGUMPSA-N 379.442 -0.988 30 20 GBED CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)N1CC[C@](F)(C#N)C1 1348366025 LFXLOPLHAUGVCT-INIZCTEOSA-N 398.416 -0.365 30 20 GBED CN1CCC(N2CCC(NC(=O)C(=O)N3CC[C@](O)(CC#N)C3)CC2)CC1 1349193701 KTOGPCGTDGAKHQ-LJQANCHMSA-N 377.489 -0.462 30 20 GBED COC(=O)C1(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 1468080155 WHUQIPVSPRNCAA-UHFFFAOYSA-N 395.437 -0.046 30 20 GBED C#CCNC(=O)CC(=O)NC[C@]1(C)CCN(C(=O)[C@H](C)OCc2cnn[nH]2)C1 1575004330 DKMIKLJLCKBNAS-UGSOOPFHSA-N 390.444 -0.796 30 20 GBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)CCOCc3cnn[nH]3)[C@@H]2C)nn1 1575112201 QUAOXBCLISNVPO-JSGCOSHPSA-N 388.432 -0.092 30 20 GBED CN(C[C@H](O)CN(C)c1nccnc1-c1nn[nH]n1)C(=O)c1cc(C#N)c[nH]1 1579031204 LQJDMUZXQPMEJX-LLVKDONJSA-N 382.388 -0.574 30 20 GBED Cn1c(=O)[nH]c(N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c(C#N)c1=O 1581747934 KTPNVWSZQDMDFM-CYBMUJFWSA-N 380.368 -0.297 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@]1(CO)CCCN(c2cnc(-c3nn[nH]n3)cn2)C1 1588355707 LNCVVIGQOBGTDU-SJCJKPOMSA-N 386.416 -0.858 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@]1(C)CN(c2ccc(-c3nn[nH]n3)nn2)CCO1 1588356545 DGGOKERQVCGFOO-SJCJKPOMSA-N 386.416 -0.594 30 20 GBED CC#CCN1CCS(=O)(=O)[C@H](CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588747878 YQNIPHVKSICTEO-GFCCVEGCSA-N 391.457 -0.563 30 20 GBED N#CCSCC(=O)NC[C@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCO1 1592679414 PTWBCLPEJIEDCH-JTQLQIEISA-N 375.418 -0.765 30 20 GBED O=C(C#CC1CC1)N1CCC[C@@H](N(CCO)c2cncc(-c3nn[nH]n3)n2)C1 1592766530 NBCICMFPSALLIM-CQSZACIVSA-N 382.428 -0.140 30 20 GBED CCN(CC(=O)O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 1596222830 ZBLQBFRBQCKPIP-UHFFFAOYSA-N 394.453 -0.202 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)c(C)n2)C[C@H]1O 1602721337 FILHEIKVVDFGOR-OWCLPIDISA-N 396.455 -0.667 30 20 GBED CC(C)C#CC(=O)N1CCC(O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1603189445 LWEDVRBHWLVCLL-UHFFFAOYSA-N 385.428 -0.063 30 20 GBED O=C(O)[C@@H]1[C@H](O)CCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1608598855 YWTMZSOUUJWXNB-RISCZKNCSA-N 381.410 -0.448 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)Cc2nnc3n2CCNC3=O)CC1 1654766051 WFSUILLLFFFAGH-AWEZNQCLSA-N 388.476 -0.854 30 20 GBED CCN(C)C(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1695505079 WIXLEDVWMCGESC-VXGBXAGGSA-N 385.494 -0.038 30 20 GBED CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1764388567 KUNIQSGCFYFORO-OLZOCXBDSA-N 384.462 -0.250 30 20 GBED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)Cn1ccnn1)CCO2 1779137585 VZEPUYMAPKHQLV-JHBOHYQCSA-N 386.412 -0.180 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1781389051 NFOOQMZKBVKYST-KDOFPFPSSA-N 397.476 -0.112 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783158670 IXPFWHGJOCETLM-LIRRHRJNSA-N 391.472 -0.766 30 20 GBED CCOc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)nn1 1783565762 PVMFOAXYPSQTSM-GOSISDBHSA-N 388.380 -0.593 30 20 GBED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2C(=O)C=CC2=O)C1 1793611402 DFVZFFRENQRQTO-CCWDJLKJSA-N 387.436 -0.143 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2c[nH]c(=O)cn2)c1 1798634594 ONHFEGLYHGDBRN-DRXBFXEBSA-N 382.380 -0.513 30 20 GBED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H](O)CN2)cc1 1799137091 HBEIAMJWBWEYQJ-STEXWYFWSA-N 398.463 -0.587 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1800451432 YTCLPOCDNMPOKM-LSSIXWDNSA-N 386.408 -0.785 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c[nH]nc13)C2 1800776252 ZCKMOBHGRAHQGJ-FVCICTRLSA-N 382.376 -0.146 30 20 GBED N#CCC(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807021537 JFMDUJNAJATRAS-BBRMVZONSA-N 395.356 -0.274 30 20 GBED C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815672465 GMKDXTWUGMKMTN-CQSZACIVSA-N 393.469 -0.235 30 20 GBED N#CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1816745835 QNQQOEYKSHPVQU-CJNGLKHVSA-N 376.417 -0.034 30 20 GBED C[C@@H](C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1)n1cncn1 1825675079 UDTIIRRLLCHJAU-UWVGGRQHSA-N 388.409 -0.004 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829865820 APOQAPVZAWVCEE-FXAWDEMLSA-N 393.484 -0.423 30 20 GBED Cc1nn[nH]c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056067 LPMBQWAHRGWKAN-KRWDZBQOSA-N 376.417 -0.267 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1831391949 YHBHWJUBXSMJJB-APWZRJJASA-N 390.440 -0.622 30 20 GBED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1831413114 NCEIQBLYHRRLGR-LJQANCHMSA-N 397.472 -0.309 30 20 GBED Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1O 1833404948 ZGCGDDWXCXSGOP-GOSISDBHSA-N 389.412 -0.501 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2 1833492127 YFGQUDHJPFKVIM-QGZVFWFLSA-N 389.368 -0.842 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncnc3)CCO2)C1 1834300157 AKVXCOHFPIVXCJ-HNAYVOBHSA-N 388.424 -0.415 30 20 GBED CCOc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cn1 1834756236 PSEXAVIHZUYBKF-GOSISDBHSA-N 389.412 -0.141 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1840161187 HKVAYCFGZFBHMU-KCLICXKESA-N 397.497 -0.404 30 20 GBED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)Cn3cnnn3)C2)c(C#N)c1 1843084538 RXOYFESIXFKZFW-UHFFFAOYSA-N 395.423 -0.001 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O 268828149 VCVGTUDBGPXULO-IINYFYTJSA-N 390.421 -0.369 30 20 GBED COC(=O)[C@@H]1COCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 268939016 VDHQLOOXFMSXRY-FZMZJTMJSA-N 381.410 -0.375 30 20 GBED COCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC 291587020 QOODSJFGPRJHIP-FZMZJTMJSA-N 383.426 -0.081 30 20 GBED Cc1cncc(C/N=C(/O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1 328881920 LMGJSHYIPASOAH-UHFFFAOYSA-N 396.517 -0.086 30 20 GBED CC(=O)N1CCN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)[C@H](C)C1 332557420 SPYACZXSNVGOGQ-CQSZACIVSA-N 384.440 -0.319 30 20 GBED Cc1nnc(NS(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)s1 349458218 LQBPDGFYKRZVGM-UHFFFAOYSA-N 395.488 -0.732 30 20 GBED C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)CCCS(=O)(=O)NCC#N 349487658 XRNUKVGINAUUAL-UONOGXRCSA-N 378.520 -0.292 30 20 GBED CNC(=O)[C@]1(C)CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)C1 349489717 FZOKGLXPQLNUDZ-TZMCWYRMSA-N 394.519 -0.662 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C#N)C(C)(C)C)C[C@@H]1O 349498026 AGLMTBZUYDNXDG-AGIUHOORSA-N 381.520 -0.123 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc1cc[nH]n1 409490800 JGENUQZIZLMMGF-ZDUSSCGKSA-N 386.478 0.459 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NC[C@H](O)COc2ccc(F)c(F)c2)CCO1 410153016 XHCCOOUPRJEFRK-JQWIXIFHSA-N 377.369 -0.237 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 418834047 RBFCLYIVUOHSIF-BBWFWOEESA-N 392.500 -0.246 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCOCCN(C)C 441843789 LOORGMMXDLMKJK-UHFFFAOYSA-N 385.428 0.080 30 20 GBED C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 488143483 CWRXYNKCVLKEEP-OAHLLOKOSA-N 394.472 -0.623 30 20 GBED CC#CCN(C)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 492056553 XMZNERROUSSUOJ-KBPBESRZSA-N 375.429 -0.061 30 20 GBED CN1C(=O)C[C@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)[C@@H]1c1ccnn1C 530270943 BBXZLHGAISUHEH-SWLSCSKDSA-N 397.395 -0.843 30 20 GBED C=CCCOCCNC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 583957177 NXRGYGLVMDSCRQ-AJNGGQMLSA-N 375.425 -0.381 30 20 GBED CC(C)N(C[C@@H](O)CO)C(=O)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 584118232 OAEFLDPGVIMSGM-GXTWGEPZSA-N 397.453 -0.099 30 20 GBED CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)C(=O)NC1CCN(CC#N)CC1 588126784 RYFFJXXCQLBIGH-OAHLLOKOSA-N 399.517 -0.589 30 20 GBED N#CC[C@]1(O)CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C1 594373834 IDWAZHQXLQGYTN-QRTARXTBSA-N 397.428 -0.173 30 20 GBED Cc1ccc(C(=O)OCC(=O)NCC#N)cc1S(=O)(=O)N1CCOCC1 731235899 MDBNCLIPOKWSOU-UHFFFAOYSA-N 381.410 -0.188 30 20 GBED CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCCN/C(O)=C1/N=CC=CC1=O 731851344 SCNMOBYIJYGSNQ-LYZGCBJASA-N 386.430 -0.625 30 20 GBED COc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc2c1OCO2 771896666 GDQCWJOEUNCGLU-UHFFFAOYSA-N 396.381 -0.866 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2cccc(OCC#N)c2)c(=O)n(C)c1=O 771896702 GUFNPYUVWXFMHM-UHFFFAOYSA-N 377.382 -0.701 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCNC(=O)c1cc[nH]n1 780801786 ZFNZMHAMMGYTJN-UHFFFAOYSA-N 390.425 -0.616 30 20 GBED C[C@@](C#N)(NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C1CC1 786365357 NDMCFFCJGJCYIC-KDDSVKQOSA-N 389.408 -0.109 30 20 GBED C#Cc1cncc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 806453770 YGWVBYNFDJWEDZ-UHFFFAOYSA-N 388.405 -0.099 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1)[C@H]1CCCO1 809311248 GTRDEMKQPOAUEC-ZWKOTPCHSA-N 376.501 -0.231 30 20 GBED C=C[C@H](O)C(=O)OCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 814550192 QCDUBROBEYILDI-HNNXBMFYSA-N 379.388 -0.002 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@@H](C(=O)OC)C2)cc1 840499805 IJOZNBZPBPRVOQ-OAHLLOKOSA-N 393.465 -0.225 30 20 GBED CCN1CCN(CC(=O)OCC#CCN2C(=O)c3ccccc3C2=O)C(=O)C1=O 859505065 OJXATLGBODHMLO-UHFFFAOYSA-N 397.387 -0.480 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 872515200 IJNXVMVWFLCPDU-UHFFFAOYSA-N 378.520 -0.419 30 20 GBED C=CCNC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 916916706 AFEWVDZMMZKICW-CQSZACIVSA-N 390.421 -0.568 30 20 GBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2nccnc2C(N)=O)c1 996322101 MSVAWKZZKTXWFM-MDZLAQPJSA-N 379.380 -0.049 30 20 GBED C[C@@H](NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CSCC#N)C(=O)N(C)C 1108956444 TWGCPLIYKPKHFP-MQYQWHSLSA-N 381.502 -0.442 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(-c2cccnc2)nn1 1110634502 JSKSZOKZVFPISE-XPKDYRNWSA-N 380.412 -0.363 30 20 GBED N#Cc1ccccc1CSCCNC(=O)C(=O)NCCN1C(=O)CNC1=O 1321593733 PSAMQCFOWDVWKW-UHFFFAOYSA-N 389.437 -0.424 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)NC1CCN(CC(=O)NC)CC1 1321608135 MFSALOFKSJIDRU-UHFFFAOYSA-N 386.452 -0.359 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H](O)CN1CCCC1=O 1322159828 UPRWYZSCONWTMW-ZDUSSCGKSA-N 377.372 -0.124 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCS(=O)(=O)CC2)CCN1Cc1ccccc1 1325241501 NKKJFHJIBVCHFW-INIZCTEOSA-N 390.465 -0.520 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCc1ccnn1C 1329444409 COTUZYYNEVTDSG-ZDUSSCGKSA-N 382.428 -0.522 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)C(=O)NCC3)CCN1C1CC1 1330013205 ILFVGIHHAHHVEV-MRXNPFEDSA-N 381.436 -0.213 30 20 GBED CN(Cc1cn(C)nn1)C(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1346904063 JOBTWKWDBZFCDE-UHFFFAOYSA-N 398.427 -0.141 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)C1 1349211249 JQYXLNWRVBQPHN-SFHVURJKSA-N 376.388 -0.522 30 20 GBED N#Cc1ncn(CC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)n1 1444321358 OWLAUEYOGPPADX-UHFFFAOYSA-N 382.446 -0.761 30 20 GBED N#Cc1nc(=NC[C@H]2C[C@H](NC(=O)[C@@H]3CCCN3Cc3cnn[nH]3)C2)cc[nH]1 1577719544 VPSYYPHWSTXZTP-YDHLFZDLSA-N 381.444 -0.140 30 20 GBED N#Cc1cc(C(=O)NCC2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]23)c[nH]1 1581866173 UZBCFXQYYJFOJO-CHWSQXEVSA-N 376.384 -0.031 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2F)C[C@@H]1O 1588505663 ULKWYKAAGSNVHS-WQGACYEGSA-N 377.380 -0.606 30 20 GBED C=CCn1cc(C(=O)NC[C@@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 1588713457 LPIPZOMTCVIBOB-JTQLQIEISA-N 384.404 -0.232 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[nH]n3)nn2)nn1 1588713920 ZAJAGGBIBDCOJK-QKCSRTOESA-N 393.415 -0.026 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](CO)CC1OCCO1 1643839714 UCTKQQKPBVRRGE-YPMHNXCESA-N 383.426 -0.535 30 20 GBED Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)on1 1693543468 RIJUWYLEHKVDHN-YPMHNXCESA-N 395.445 -0.038 30 20 GBED O=C(O)CNS(=O)(=O)c1ccc(C=NNCCCN2CCOCC2)cc1 1776059559 YJKRQQGTEFMZKF-UHFFFAOYSA-N 384.458 -0.305 30 20 GBED CN1C(=O)CC[C@H]1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1780792355 IWVOOOFLMUYZDS-IQUTYRLHSA-N 391.424 -0.791 30 20 GBED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1)C(F)(F)F 1789766109 TYGOFYYCWJDFFI-PEDHHIEDSA-N 391.390 -0.193 30 20 GBED C=CC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1790830966 ICWRFBVZALINEG-XSLAGTTESA-N 397.516 -0.535 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)ON=C(C)C 1799396924 IXQQSDKTWPXPFW-FSNAAORZSA-N 382.461 -0.099 30 20 GBED C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800194319 RHKSGIHKMUYAAZ-AMVTXUCVSA-N 385.420 -0.062 30 20 GBED N=C1NCCN1CC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812876124 CAMWPITYFUSODF-KBXCAEBGSA-N 398.423 -0.985 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(OC)OC)CCO2)C1 1831028324 GTOQIEAPSYGCCA-KDOFPFPSSA-N 384.429 -0.900 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1833471784 OTCWMUODVOAXSX-QGZVFWFLSA-N 376.369 -0.931 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834321448 IZTXTZNBMQXJDB-DNVCBOLYSA-N 390.440 -0.472 30 20 GBED COc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)cn1 1835354056 KRQIRKUXTWYYTH-SFHVURJKSA-N 389.412 -0.141 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1839227626 IBKGMOFIKQIYNQ-KBXCAEBGSA-N 398.460 -0.491 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839781167 HVRTWWYCPITHGN-RHSMWYFYSA-N 399.469 -0.676 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccns3)C2)C1 1840041232 ZAQBXDWQPJGDIS-MRXNPFEDSA-N 379.394 -0.699 30 20 GBED CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n[nH]1 1840041701 CQJVSFKDZZDKEW-GOSISDBHSA-N 390.396 -0.870 30 20 GBED CN(C)C(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812833 NXYVFOUCNLCVFA-GOSISDBHSA-N 378.429 -0.775 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCC(=O)N1CCOCC1 268769211 RWWVAVQKGVCGSB-CYBMUJFWSA-N 394.453 -0.410 30 20 GBED C[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H](C(N)=O)O1 277281936 SHRSILUGWYUSFR-UHOFOFEASA-N 385.424 -0.057 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O 281755806 JQFCWNUETCOLDM-CYBMUJFWSA-N 384.462 -0.470 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@@H](CCOC)C(=O)OCC)c1cc[nH]n1 281796117 VYZPPSOBYLGRCV-XGERHETISA-N 384.389 -0.222 30 20 GBED C#CCNc1nc(NC[C@](C)(O)CN(C)C)nc(NC[C@@](C)(O)CN(C)C)n1 286040724 ADJQGHVHRAAFMF-HDICACEKSA-N 394.524 -0.634 30 20 GBED Cc1ccc(S(=O)(=O)NCCNC(=O)NCCn2cnc(C#N)n2)s1 287103525 XWTPUCZOLAYUAM-UHFFFAOYSA-N 383.459 -0.203 30 20 GBED C=C[C@@H](CO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 292652793 LCBKJUVWVLVSHD-GVXVVHGQSA-N 385.398 -0.618 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN2C[C@H](C)O[C@H](C)C2)C1=O 297890204 PMBOFALBXRXDRW-OWCLPIDISA-N 380.489 -0.201 30 20 GBED COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NCC#CCO)cc1 298907492 LLSFUZDYPHHHIL-UHFFFAOYSA-N 384.454 -0.304 30 20 GBED C[C@H](C/N=C(/O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)CN1CCN(C)CC1 329246910 VXNYIRZBRIEOCO-CABCVRRESA-N 375.539 -0.250 30 20 GBED CC(=O)N1CCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)[C@@H](C)C1 349515048 WFEORVWKYGWRPV-LBPRGKRZSA-N 392.503 -0.766 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nnc2n1CCOC2 365142590 OAYRZPRGBMQCIH-NSHDSACASA-N 390.425 -0.337 30 20 GBED C=CCOC[C@@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)OC 481748901 KMHNLOKQPHVTOO-GFCCVEGCSA-N 376.369 -0.894 30 20 GBED C=CC[C@H](CO)NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 543081757 KHUHZXOQQKIYAL-CQSZACIVSA-N 376.479 -0.736 30 20 GBED N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)c1 548202260 HINROSKFYAOAQA-VIFPVBQESA-N 376.188 -0.072 30 20 GBED COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 553480474 UYKADEAWKMRGJX-CYBMUJFWSA-N 384.458 -0.001 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)NC)C2)CC1 553733804 KDBPFLAMSJVASI-HNNXBMFYSA-N 386.518 -0.317 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 560289601 WDFGEXDATLNLOV-GOEBONIOSA-N 391.472 -0.015 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCOC[C@H]3CCCO3)CC2)nc1 564108613 CMFCKGKCNGRDGU-MRXNPFEDSA-N 387.440 -0.086 30 20 GBED N#CC[C@]1(O)CCN(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C1 592148318 UBYKTSPPVLAGBU-VYDXJSESSA-N 385.486 -0.468 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2CO)s1 594637130 KDJLDCZALPWXFG-SNVBAGLBSA-N 394.500 -0.067 30 20 GBED C=CCCSCCNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 597214238 UHZTXVTYRFKLTH-UHFFFAOYSA-N 392.547 -0.895 30 20 GBED CN(CCOCCN)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 599942317 AGTYZONMCBNYGC-MRXNPFEDSA-N 387.440 -0.396 30 20 GBED C=CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 735428759 OHPQSDZNBUFNFE-JTQLQIEISA-N 394.413 -0.621 30 20 GBED C=CCN(CC=C)C(=O)COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 753644978 HTGFONQLHIIQNP-ZDUSSCGKSA-N 397.453 -0.104 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc([N+](=O)[O-])ccc1O 758116829 BOMFTSHYPNIUSU-UHFFFAOYSA-N 397.369 -0.600 30 20 GBED COCCOc1cccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 771897616 HUBGWBYIXQCEPO-UHFFFAOYSA-N 396.425 -0.578 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCC(NC(=O)COC)CC1)c1cc[nH]n1 772124068 OPKDZLXHNQXYIC-UHFFFAOYSA-N 395.416 -0.553 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCN(CCO)C(C)(C)C1)c1cc[nH]n1 772639446 GVNQBBVQNNSWHU-UHFFFAOYSA-N 381.433 -0.391 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)C[C@]2(OC(C)C)CCOC2)CC1 851760204 HIHLOJAMIQWXJX-KRWDZBQOSA-N 387.502 -0.733 30 20 GBED N#C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CCO1 859249397 AQTKAUKRRVSDIF-SECBINFHSA-N 386.817 -0.532 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCC[S@](=O)C(C)(C)C)CC1 893073894 QPWXGCCHGKZZFU-QHCPKHFHSA-N 378.520 -0.672 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CN(C)Cc3ccccc32)CC1 893855109 CQOWSBMYSWHLCH-KRWDZBQOSA-N 391.497 -0.032 30 20 GBED C=CCNC(=O)NC(=O)CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 917132218 LAHQGHSANPHXIN-UHFFFAOYSA-N 391.453 -0.235 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCc1nc(O)cc(CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 984135846 YXQGAGDZQIWADC-NDBYEHHHSA-N 389.412 -0.873 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc3[nH]nnc3c2)C[C@H]1O 1023941929 IDHCLQUAQPCOLU-MYPMTAMASA-N 386.412 -0.364 30 20 GBED C#CCNC(=O)CN1CC[C@@]2(CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)CCC[C@@H]12 1107448755 RSLSJHNNRDICCM-WOCWXWTJSA-N 376.501 -0.184 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(C)(C)NC(=O)NCC 1109792761 HRBYBRYLBIKLTJ-XGUBFFRZSA-N 377.489 -0.057 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC(=O)NCC)nn1 1111112137 AMTXIUHQGSGPPZ-BZPMIXESSA-N 375.433 -0.355 30 20 GBED CCCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1111455965 UZFZZKKRWDLEBW-MCIONIFRSA-N 378.477 -0.165 30 20 GBED COCC#CCN[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@@H]1n1ccnn1 1129939283 BFVPGUVHTIXKLF-IECFSIQFSA-N 389.456 -0.679 30 20 GBED CC#CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)CCS(C)(=O)=O)cc1 1255513049 OWEKQUGRYJXCFY-UHFFFAOYSA-N 386.451 -0.417 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3F)CC2)CC1 1262598475 ULEQSTBOBQPFKR-UHFFFAOYSA-N 395.460 -0.053 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2nc[nH]n2)CC1 1300058010 SGMCEJLJLCLAIH-UHFFFAOYSA-N 389.441 -0.418 30 20 GBED C#CCSCCNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 1323016464 WWXQUQJBCUSWHU-UHFFFAOYSA-N 383.495 -0.128 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1 1326112095 DFTZTHHJWBCWQO-HXUWFJFHSA-N 399.451 -0.672 30 20 GBED Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CNC[C@H]3C#N)CC2)cn1C 1332178593 DOUMJYGNQIEXIK-ZIAGYGMSSA-N 380.474 -0.643 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 1342120995 LKLZMUAJAVPGHX-OAHLLOKOSA-N 390.465 -0.100 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCCN2C(=O)CCC2=O)CCN1Cc1ccccc1 1342151491 IVHRKWHHUDIPGO-MRXNPFEDSA-N 397.435 -0.512 30 20 GBED CCCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1547257014 UYMOFVPPXOHHLK-STQMWFEESA-N 396.473 -0.565 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2C)nn1 1573351904 XKFLOZXPMYYZBQ-ZYHUDNBSSA-N 381.404 -0.311 30 20 GBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2cnn[nH]2)nc1 1575004929 PYGCXXWKQDVRMO-OCCSQVGLSA-N 386.412 -0.546 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)cn3)C[C@@H]2O)c1 1581862443 BTCMQDJYKLYODJ-JSGCOSHPSA-N 379.384 -0.169 30 20 GBED CN(CCC#N)C[C@H](O)CN[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1=O 1591062350 WOIKFMKNENBCOR-IAGOWNOFSA-N 398.471 -0.236 30 20 GBED CN(CCc1cccc(-c2nn[nH]n2)c1)S(=O)(=O)N1CCO[C@@H](C#N)C1 1591121585 WCLTVRRONOPGJE-AWEZNQCLSA-N 377.430 -0.190 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCO[C@H](c2nn[nH]n2)C1 1609492786 APTDTLMJICFYIX-STQMWFEESA-N 380.372 -0.338 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccn4ccnc4c3)C2)C1 1778571120 WELHEVCOGCFJSJ-IBGZPJMESA-N 382.376 -0.134 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ncccn1)C2 1782011372 YYHXZLPYVDPQTL-AUUYWEPGSA-N 386.408 -0.379 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782744913 FXKHNMSCEFCIGN-KRWDZBQOSA-N 399.469 -0.722 30 20 GBED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCN(C)CC1)CCO2 1783906600 QPSXVRLNAYQNNH-HXUWFJFHSA-N 376.501 -0.133 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784455468 WWNAPWSBOCMJJN-DNVCBOLYSA-N 388.424 -0.276 30 20 GBED CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1788612661 SSONGIAUFPNRSZ-IHRRRGAJSA-N 395.529 0.000 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(C)nc1)C2 1792484653 VFPNMROIPZIWCE-UOSUODCTSA-N 399.451 -0.153 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(CO)on1)C2 1793358490 HZXJDJLELNYZTQ-NFFDBFGFSA-N 379.413 -0.039 30 20 GBED C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2)[C@@H]1SC(=N)NC1=O 1796879179 VACAKRGALDGZIO-QEGBUVANSA-N 392.437 -0.485 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1=O)C2 1799393769 ODEZLKQNKFXMHD-ZXFNITATSA-N 394.472 -0.001 30 20 GBED CC1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CC1 1800774042 NNAWBKFRRSREQJ-CCWDJLKJSA-N 377.441 -0.604 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1800777443 SZIPVBFRQLIWKB-VBEBKZKRSA-N 393.396 -0.807 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CNC(N)=O)[C@@H]1c1cccnc1 1814222294 MYLBIAIMMQRJRG-KMFMINBZSA-N 387.440 -0.206 30 20 GBED N#CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1826319524 XTMWFTYMRMDGAX-AWEZNQCLSA-N 398.427 -0.040 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1831487974 UEUPBUSBNPBWKV-SUMWQHHRSA-N 387.502 -0.515 30 20 GBED COCc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834760241 HYKUKEMETLKRQH-QGZVFWFLSA-N 378.385 -0.195 30 20 GBED C[C@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1835527146 AEDZRGXUONUMJX-FWQQEFPFSA-N 395.504 -0.491 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](N)c4ccccn4)CCO3)C2)CC1 1835700287 XBYHEFDRLNJXTN-UZLBHIALSA-N 399.451 -0.158 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1837648685 RNQOAXRZTLHCIG-QAPCUYQASA-N 377.445 -0.053 30 20 GBED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)nn1C 1838835509 ZRWMPAPOZWZRIA-PXAZEXFGSA-N 398.485 -0.183 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n4ccnc4n3)C2)C1 1839810304 PVDVMRJUFMOPGW-LJQANCHMSA-N 383.408 -0.259 30 20 GBED O=C([C@H](O)N1CCOCC1)N1CC2(CCCN2C(=O)C#Cc2ccccc2)C1 1842730856 PXRCZHBYUFERDV-IBGZPJMESA-N 383.448 -0.108 30 20 GBED CN1CCN(CC(=O)N2CC3(CCCN3C(=O)/C=N/N3CCCCC3)C2)CC1 1844259229 SSIOMFDGEYUGEX-KGENOOAVSA-N 390.532 -0.091 30 20 GBED O=C1CNC(=O)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#Cc1ccccc1 1848030106 PDAJUEDBBFFTMQ-HOTGVXAUSA-N 380.404 -0.208 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CN(C)CCN1C 268852606 YJKUOCUXKJAOHT-ZFWWWQNUSA-N 379.486 -0.413 30 20 GBED C[C@H](O)C(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 270783699 APOGWXIVJCGJTG-OLZOCXBDSA-N 394.453 -0.723 30 20 GBED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 272827123 KEQMUBWPKMRPLI-UHFFFAOYSA-N 396.512 -0.184 30 20 GBED C=CCN1CC[C@H](N(C)CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)C1=O 281235273 FRUKOSHTULWGTJ-AWEZNQCLSA-N 396.469 0.000 30 20 GBED C=CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 282254287 LBVMLUZAZMIBOW-UHFFFAOYSA-N 382.432 -0.195 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccc(S(=O)(=O)CCO)cc1 282366854 QCKYDWWGTNMSQS-LBPRGKRZSA-N 375.472 -0.122 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)CC2)c1 298859732 XUCOBSGWAZKDHE-HOTGVXAUSA-N 396.451 -0.129 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](O)COc2ccc(F)cc2)C1=O 299529378 QJEBOYFMVDFGRR-GFCCVEGCSA-N 379.344 -0.342 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(/C(O)=N/CC[C@@H]3CCOC3)CC2)CC1 329649120 KCHGPCXSNKMQMM-OAHLLOKOSA-N 389.522 -0.563 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc(C#N)ccn2)C[C@H]1O 349528051 SQRQCOOSNXQGCZ-DGCLKSJQSA-N 388.471 -0.273 30 20 GBED C=CCN(CC(=O)O)C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 365424558 XGVOTPGFKKJFSI-LLVKDONJSA-N 381.410 -0.214 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(C(N)=O)CCOCC1 371221479 XWJYHHWYMFTIJU-LLVKDONJSA-N 380.426 -0.624 30 20 GBED N#C[C@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CCO1 436137708 SPEVGAADMKVXMH-HNNXBMFYSA-N 394.453 -0.130 30 20 GBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 440302627 KQFOXQIHGVKNKZ-NSHDSACASA-N 384.371 0.511 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)C1=O 479696708 WUUFQEOJHSVFGA-CYBMUJFWSA-N 393.421 -0.135 30 20 GBED COC(=O)CN(CC#N)C(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O 500606978 VIMDMBNFQMIWIO-IUODEOHRSA-N 383.426 -0.452 30 20 GBED CN(CC(=O)NCCNC(=O)c1cc[nH]n1)S(=O)(=O)c1ccc(C#N)cc1 507864926 RLSXTWSWIAAIAK-UHFFFAOYSA-N 390.425 -0.552 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H]2CCNC2=O)cc1 574704218 SIIZBTLWEMUNPG-GWCFXTLKSA-N 386.455 -0.614 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)NCCN2CCCS2(=O)=O)CC1 579663863 KPGUSIKQYAQTHP-UHFFFAOYSA-N 378.458 -0.180 30 20 GBED COCC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 582736353 XTPWASKSEZMHBA-LBPRGKRZSA-N 391.471 -0.494 30 20 GBED C[C@@]1(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)CCC(=O)N1 582975146 HZHVXSVTWBXNJD-AWEZNQCLSA-N 386.455 -0.565 30 20 GBED C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC#N)CC#N)cc2)C[C@H]1O 594494287 FDKAXKNGOURUEA-IUODEOHRSA-N 398.466 -0.274 30 20 GBED CN(CCOCCN)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 599944821 XZGPKCZUFIWQDG-MRXNPFEDSA-N 387.440 -0.791 30 20 GBED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)Cc1cccc(C#N)c1 728769550 FRRFRSSUHGLICX-HNNXBMFYSA-N 392.437 -0.369 30 20 GBED C#CCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 756772621 OMQCGYAPMHRBTH-GFCCVEGCSA-N 381.410 -0.880 30 20 GBED O=C(O)CNS(=O)(=O)c1ccc(C(=O)/C=C\c2cn(CC(=O)O)nn2)cc1 759074539 GCZFYNNBYBUWFW-UTCJRWHESA-N 394.365 -0.378 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc3nc(O)[nH]c3c2)CC1 761036940 INMWQBKHJREFRE-UHFFFAOYSA-N 392.441 -0.708 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CS(N)(=O)=O)cc1 769589920 WEVXEPUEXNFODP-AWEZNQCLSA-N 399.494 -0.119 30 20 GBED CN1C(=O)CC[C@@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 819727088 UPGSFIRPDWIQFI-GFCCVEGCSA-N 392.437 -0.231 30 20 GBED CCO[C@@H]1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@]12CCCO2 819808755 HHGZWOIQDARMKW-IUODEOHRSA-N 386.430 -0.924 30 20 GBED COC[C@@](C)(CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)c1cc(C#N)c[nH]1 821680517 LNVMBLWWXBJGTE-QGZVFWFLSA-N 397.399 -0.041 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(F)cc(C(=O)O)c2)CC1 833365954 ZBQUSGIPCDBMJL-UHFFFAOYSA-N 383.401 -0.420 30 20 GBED C#CCNS(=O)(=O)N1CCN(CCS(=O)(=O)Cc2ccccc2)CC1 839527437 JDDRTYCLEUOGKZ-UHFFFAOYSA-N 385.511 -0.313 30 20 GBED C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)NCC(=O)OC)c1 842227198 SEOPXVMYSXCCTO-HNNXBMFYSA-N 387.392 -0.083 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@H](C)C1 959681399 VZYIBYJJRMPAOV-SYQHCUMBSA-N 376.413 -0.497 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H](OCC)[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)nc1 983116021 VJXVRRJKNXMSOL-PNBKFKSVSA-N 384.436 -0.222 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnc(O)n(C)c1=O 1004899073 XIQNSNDFQMIIEJ-YXRJLALLSA-N 388.424 -0.061 30 20 GBED C[C@@H]1CC[C@H](C(=O)N2CCN(c3nccnc3C#N)[C@H]3CS(=O)(=O)C[C@H]32)O1 1054787986 JXSLPYXPPKBTMT-FAAHXZRKSA-N 391.453 -0.270 30 20 GBED C=CCNC(=O)NC(=O)CN1CC[C@@]2(CNC(=O)[C@H]3C[C@H]3C(N)=O)CCC[C@@H]12 1107546954 UVUFFKSAQJQTPY-ZYKCCNLVSA-N 391.472 -0.520 30 20 GBED N#CCc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 1252467903 XWIHYFIWSVZZCU-UHFFFAOYSA-N 392.481 -0.082 30 20 GBED COCCOc1ncccc1CNC(=O)C(=O)NC1CCN(CC#N)CC1 1321589551 YYLGFTOKZWLKPV-UHFFFAOYSA-N 375.429 -0.173 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 1329051336 DEWNHEJDTLGCPJ-AWEZNQCLSA-N 388.424 -0.273 30 20 GBED CN(CCOCCNC(=O)OC(C)(C)C)C(=O)C(=O)N1CCO[C@@H](C#N)C1 1331379987 KJZQUXUZRPDFBC-ZDUSSCGKSA-N 384.433 -0.263 30 20 GBED C=C(C)Cn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 1346603065 DQFODDYONUEJCJ-CYBMUJFWSA-N 399.455 -0.270 30 20 GBED C=CCOCCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O 1573349137 ZHPPPHKSVAYYPI-JSGCOSHPSA-N 388.432 -0.305 30 20 GBED CC(C)(C)C#CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 1573793298 OBSUYJYIURDOKZ-JSGCOSHPSA-N 385.428 -0.064 30 20 GBED C#CCNC(=O)CN1CC[C@@H](N(CCC)C(=O)[C@H](C)OCc2cnn[nH]2)C1 1575004918 PSRJQEBZBWVICY-GOEBONIOSA-N 376.461 -0.228 30 20 GBED CN(C)C(=O)Cn1c([C@H]2COCCN2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1578401442 IOXVJMBZNOAYCB-HUUCEWRRSA-N 388.476 -0.796 30 20 GBED C#CCNC(=O)CC(=O)NCCC[C@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588354140 GVWUSGRATWUPHP-NSHDSACASA-N 386.416 -0.651 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C[C@@H]1O 1588356873 GTAAPDGIEWBLHA-XZJROXQQSA-N 388.403 -0.295 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588505304 PCFSKFQYXQFHAU-SJORKVTESA-N 389.416 -0.785 30 20 GBED Cc1onc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1-c1nn[nH]n1 1592515543 GTQSSJALGMVMOU-XPTSAGLGSA-N 377.386 -0.898 30 20 GBED CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CCC(C#N)(C(=O)O)CC2)C1 1599755448 TZYYBVMNGRWODV-NSHDSACASA-N 379.460 -0.712 30 20 GBED C#CCOCCC(=O)NC1(CO)CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1602729354 PJDXLUOMTOWGMM-UHFFFAOYSA-N 385.428 -0.251 30 20 GBED O=C(O)CC1CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1608697073 KABUCOZMRZODGO-PFONDFGASA-N 378.385 -0.658 30 20 GBED CCn1cc(-c2nn[nH]n2)c(=O)n(CC(=O)NCc2ccc(C#N)cc2)c1=O 1609257601 DQIZLAYVGUHGTE-UHFFFAOYSA-N 380.368 -0.602 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@H]2CCc3cc(-c4nn[nH]n4)ccc32)C1 1609494419 CZSAUUKMHGCBHP-KSSFIOAISA-N 381.396 -0.153 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CCC(=O)N(CC)CC)C1 1757003863 VSKSEOLATNWKFN-FPCVCCKLSA-N 381.473 -0.086 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)N(C)C 1761483314 WMWWHRNKLBCNCE-QMTHXVAHSA-N 387.441 -0.582 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc(O)[nH]3)C2)C1 1779641080 WYVJEGSMXJEKLM-DDKKJVIOSA-N 389.412 -0.583 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1781390275 IROVSMRYCMOHCE-DEYYWGMASA-N 397.476 -0.790 30 20 GBED Cc1cnc2c(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)cnn2c1 1783565806 ZIRDQQWZEYHGCC-IBGZPJMESA-N 397.391 -0.431 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 1784501686 ZURPPHSPFSRURZ-YXMSTPNBSA-N 379.457 -0.164 30 20 GBED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21 1785015823 SRZVXFPPQWTLAJ-XUXIUFHCSA-N 383.470 -0.006 30 20 GBED Cn1cc(F)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1787750164 PEQCFNLKNRATJV-WHOFXGATSA-N 377.372 -0.155 30 20 GBED C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1791285406 VBIJSTFVPYQYPT-WZTLGTBRSA-N 381.429 -0.114 30 20 GBED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792238700 PPHJVVCZHJQLMK-SRVKXCTJSA-N 396.494 -0.260 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(N)=O 1796316678 HPLCBMVTWVCXMM-AHDPXTMNSA-N 382.461 -0.386 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1ccnnc1O)CC2 1825666854 KVASIYGYLSIWIW-MRVPVSSYSA-N 387.377 -0.048 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCOC)C2)C1 1831391772 VRHMNWIIZQIMEH-APWZRJJASA-N 398.456 -0.856 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1nnc(C)s1)CCO2 1833023340 NISUSVBXGXFTKA-KRWDZBQOSA-N 378.454 -0.131 30 20 GBED CCNC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834761020 PCYVPHZKVUQHCM-GUYCJALGSA-N 381.433 -0.936 30 20 GBED NCC(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835732219 IJMICMGINHGEMV-RCCKNPSSSA-N 378.521 -0.012 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837798884 HFBTYRJGFGRPJX-BMIGLBTASA-N 399.429 -0.294 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1840168142 ARMNBHAQDBHYPJ-OXQOHEQNSA-N 391.468 -0.063 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCSC)CCO2 1840201428 RYMGTAGCNIKOLR-QAPCUYQASA-N 384.498 -0.030 30 20 GBED Cn1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)n1 1840813142 HABPOUFJQOZFHF-SFHVURJKSA-N 388.428 -0.421 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCSC)C2)C1 1840844820 NHERBUTXPACBEU-QAPCUYQASA-N 384.498 -0.030 30 20 GBED CNC(=S)NCCC(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1844266383 GYIXLACRWUXHOU-UHFFFAOYSA-N 394.545 -0.044 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H](NC)C(=O)O 1847261602 WLVXOSKFNFEWLQ-ULZSVGJGSA-N 378.429 -0.891 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC[C@@H]2Cc3ccccc3O2)c1=O 53576810 PSEXSCIBUKOCOO-HNNXBMFYSA-N 398.419 -0.336 30 20 GBED C/N=C(/NCC1CCN(S(=O)(=O)C(F)F)CC1)N1CCN(C(C)=O)CC1 262819215 WNTXCXLFTDXHDL-UHFFFAOYSA-N 395.476 -0.010 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 264969551 GOXOIZDLQKLMQO-ILRDRHFLSA-N 398.463 -0.923 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(C[C@@H]3CCOC3)CC2)C1=O 265460657 BNXYPODBVWKSPI-ZDUSSCGKSA-N 378.429 -0.420 30 20 GBED C[C@H](/C(O)=N/[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)N1CCSCC1 328895474 BJVGYELOFODGHK-MCIONIFRSA-N 377.532 -0.122 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 349472086 FQXJEWFVKPHOJF-QQKNPXLJSA-N 377.488 -0.761 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](O)C12CCCC2 349481341 OMOWVTYOSISGQE-QWHCGFSZSA-N 379.504 -0.083 30 20 GBED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@@H](O)CC[C@H]2C1 349492230 KOBMGYWMSQZQRT-YJNKXOJESA-N 393.531 -0.123 30 20 GBED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)NCC1(C)C 349498514 QREQEVLENFODTF-LBPRGKRZSA-N 394.519 -0.616 30 20 GBED C[C@@H](CN1CCN(c2ccccn2)CC1)NS(=O)(=O)N1CCO[C@H](C#N)C1 410127564 BIMCOWOLGYZUBN-JKSUJKDBSA-N 394.501 -0.349 30 20 GBED CCOC(=O)c1c(NC(=O)C(=O)N2CC(=O)N[C@H](C)C2)c(C#N)cn1CC 421230114 ULFOTCCCVUHCHP-SNVBAGLBSA-N 375.385 -0.158 30 20 GBED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CS(=O)(=O)CCO1 507903864 HYBBATVHJHCXJS-VIFPVBQESA-N 375.384 -0.442 30 20 GBED N#Cc1ncn(CCNCc2ccccc2S(=O)(=O)N2CCOCC2)n1 512857298 QQVIXSDHBRRNOJ-UHFFFAOYSA-N 376.442 -0.040 30 20 GBED COC(=O)Cc1nc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)n[nH]1 522868531 XVTOKCNKAGTILS-UHFFFAOYSA-N 392.397 -0.349 30 20 GBED CNS(=O)(=O)NC1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 538820315 GHRRQUAWOZGJEZ-UHFFFAOYSA-N 379.442 -0.667 30 20 GBED N#Cc1cc(F)c(S(=O)(=O)N(CC(N)=O)CC(N)=O)cc1Br 572405069 KJSDQASRPPOFOL-UHFFFAOYSA-N 393.194 -0.579 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCOCCO)cc1 577191336 IGBYWSVSRTWHIK-NSHDSACASA-N 377.444 -0.836 30 20 GBED N#C[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CCO1 594292067 NMCIFUVPGDFUAT-GUTXKFCHSA-N 383.401 -0.299 30 20 GBED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CC2CC2)c1=O 596189314 GWRKVYDCMBXHPS-UHFFFAOYSA-N 399.476 -0.585 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2c(C)nn(C)c2C)C1=O 726042824 MZIDJFMTSWNROO-LLVKDONJSA-N 391.384 -0.116 30 20 GBED N#CCNC(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 731237866 QOVKKIGOYDAOHQ-UHFFFAOYSA-N 383.382 -0.691 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)CC1 761023382 HDJZFVXXSRFJOC-UHFFFAOYSA-N 379.442 -0.208 30 20 GBED C#CCN(CC)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 762424927 PAQARQQDGQBSIR-ZIAGYGMSSA-N 375.429 -0.061 30 20 GBED C=CCNC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762936300 IALNNWPAHMSUIY-GHMZBOCLSA-N 383.426 -0.314 30 20 GBED C[C@H](O)C(=O)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 766026388 OKVCBHMQBGPLSM-LBPRGKRZSA-N 394.453 -0.833 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCC[C@H](S(C)(=O)=O)C2)c1=O 766667141 HRKGLPRJNOUACR-AWEZNQCLSA-N 398.485 -0.600 30 20 GBED COC(=O)C1(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 766829237 DICMVRTXSGAHNX-UHFFFAOYSA-N 376.369 0.000 30 20 GBED C=CCS(=O)(=O)CCNC(=O)NCCNS(=O)(=O)c1ccccc1 783011988 AEHGUNBWEWEPGJ-UHFFFAOYSA-N 375.472 -0.135 30 20 GBED COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCC(=O)NCC#N)CC2)cc1 804819754 IUYSXRZLYOOSOA-SREVYHEPSA-N 385.424 -0.344 30 20 GBED CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(CC(N)=O)C(=O)C1 819562244 VOFCQXSNHCOSSQ-GFCCVEGCSA-N 381.433 -0.270 30 20 GBED CCOC(=O)CON=C(C(=O)N1C[C@@H](O)C[C@H](C(=O)OC)C1)c1cc[nH]n1 844120555 ZTFDEFUCDHOQEC-QWRGUYRKSA-N 382.373 -0.924 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccccc2F)CC1 872515136 GNMGZOPGCHHGDZ-UHFFFAOYSA-N 375.447 -0.259 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 875601309 ZKMINYIBNAWNNC-MRXNPFEDSA-N 380.489 -0.456 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(N2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 967248783 GWAIEZLQHBDTNX-YVSFHVDLSA-N 390.484 -0.556 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C1 970849839 KQLUECKFSHLKCI-RZFFKMDDSA-N 390.440 -0.756 30 20 GBED C#CCN1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C)CC1 989992514 OWCVILKMLAVWHB-BSWAZPDLSA-N 390.484 -0.530 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@]34CCC[C@H]3OCC4)C[C@H]2O)CC1 1024131514 IGIRUXXVDJUNCR-IKVWTGGYSA-N 389.496 -0.021 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cc(C)nn2C)C1 1024632676 DKDOUKHXMNGXJB-VQHPVUNQSA-N 376.457 -0.060 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 1024633756 WFRJLFHODATPFT-NHIYQJMISA-N 386.412 -0.593 30 20 GBED N#CCNC(=O)CN1CCn2ncc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)c2C1 1128409706 FKGZDQKONNFGMM-DBMJBKLQSA-N 384.440 -0.622 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCNS(=O)(=O)CC)C[C@H]1OC 1213462743 OFPFTDGDEFEOMG-APIJFGDWSA-N 375.491 -0.668 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)CCN1C1CC1 1261850085 YVPXKJAUFNESGF-OAHLLOKOSA-N 387.419 -0.537 30 20 GBED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)CC1 1327378705 QUYSATKZXFNNHV-JKSUJKDBSA-N 375.473 -0.096 30 20 GBED CN1CCC(N2CC[C@H](N(C)C(=O)C(=O)N3CC[C@@](O)(CC#N)C3)C2)CC1 1328424309 AFDOWQJBKVMIKT-LPHOPBHVSA-N 377.489 -0.510 30 20 GBED COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H](CC#N)C2)cn1 1346870059 VSXFRMFZUZBYBD-ZDUSSCGKSA-N 376.417 -0.264 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)c2cncc(-c3cnn[nH]3)c2)cn1 1575021043 AUXAKUBKSKRGKU-INIZCTEOSA-N 391.391 -0.236 30 20 GBED C#Cc1ccc(C(=O)NCC2(NC(=O)CC(=O)NCc3cnn[nH]3)CC2)cc1 1575023198 ZFIGVUAUTNSOEJ-UHFFFAOYSA-N 380.408 -0.129 30 20 GBED O=C(CC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)C#CC1CC1)NCc1cnn[nH]1 1577766458 RTDQQNCXQOTGHD-HZPDHXFCSA-N 384.440 -0.184 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@H](O)CN(C)C(=O)CSCC#N)n1 1580636005 XQIBLCMZAXABRR-LLVKDONJSA-N 391.461 -0.523 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H](CO)Nc2ncc(-c3nn[nH]n3)cc2F)nc1 1588367222 HKIVABCDFRTOKZ-LBPRGKRZSA-N 382.359 -0.020 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C(=O)O)s2)CC1 1588485216 IYOFHZXKEBYZJF-UHFFFAOYSA-N 386.455 -0.259 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O 1588504223 JSGJVOJQDIOOOG-VKJFTORMSA-N 390.419 -0.006 30 20 GBED N#Cc1ncn(CCNC(=O)[C@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2)n1 1592710374 WMDLSZMJVZGODX-LBPRGKRZSA-N 392.383 -0.501 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(Cn3cc(C(=O)O)nn3)CC2)cc1 1601111546 AHOAVLMKCQXZNY-UHFFFAOYSA-N 376.398 -0.188 30 20 GBED CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1604721898 BRJNFEHQKHTITB-CYBMUJFWSA-N 382.388 -0.295 30 20 GBED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)c2[nH]c(=O)n(C)c(=O)c2C#N)C1 1651462939 WMCRNVQSTUNJRV-NSHDSACASA-N 377.401 -0.817 30 20 GBED N#CCc1ccccc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1653894424 OLLOVWUMUGBYKU-CABCVRRESA-N 399.494 -0.471 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCC1(O)CCC1 1723957641 OWJFUEKRQOPPJB-QWHCGFSZSA-N 398.489 -0.078 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1778969463 MFZAIXVFBBGOCN-RDTXWAMCSA-N 377.445 -0.319 30 20 GBED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1779018854 HNYRCZNKFJSWBI-DWPAOUEGSA-N 393.488 -0.989 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(N)=O)C1 1783281027 OZMFJAJXBKYEIR-PMUMKWKESA-N 382.461 -0.240 30 20 GBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1785427052 LJAFGVNFLVRRSE-HNNXBMFYSA-N 375.347 -0.092 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]21 1788573429 QYHXOPRNFLQGMN-ARKGTOAJSA-N 393.484 -0.182 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C\C(=O)NC1CC1 1797608962 KSRFETPESZADQX-YAXNIQRTSA-N 389.452 -0.551 30 20 GBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)[C@H]1SC(=N)NC1=O)C2 1802022132 WQRXULHPUTWTNW-GGUBGCTKSA-N 392.481 -0.208 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)C(C)C)C2)C1 1831388555 USJMBYNRDNOBOU-JTDSTZFVSA-N 382.457 -0.502 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3C)C2)C1 1831390895 ACLFSDLLPADSRQ-BEFAXECRSA-N 390.440 -0.472 30 20 GBED CN(C)c1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)o1 1833899163 ILCBYMQOVBALCD-KRWDZBQOSA-N 377.401 -0.276 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1834763429 HXRBAMWXUVBEDH-GOSISDBHSA-N 388.380 -0.206 30 20 GBED Cn1ncnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838732014 FUDRPSJLEGPTJA-SFHVURJKSA-N 399.411 -0.601 30 20 GBED CN(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838735218 ZVIYLAFYHIKBIO-SFHVURJKSA-N 375.429 -0.482 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncon3)C2)C1 1839226642 CMYYANZEJWQXRU-CXAGYDPISA-N 395.416 -0.060 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839228161 UMWUORHEQJPRAG-KSSFIOAISA-N 395.412 -0.668 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)OC)CCO3)C2)C1 1840318381 CUJGMGSHANFOPR-SFHVURJKSA-N 381.429 -0.235 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)nc3cccnn13)C2 1841601284 JQLOFYUIRITYBH-AWEZNQCLSA-N 395.419 -0.055 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1 1841961711 XTIZPXIIUICRJM-NEPJUHHUSA-N 379.417 -0.411 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NC(=O)NC2CC2)CC1 16635208 HDZRSJHOCACMPE-UHFFFAOYSA-N 391.453 -0.147 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(CC#N)CC2)cc1 266919420 VUPCQPZTDDOUHI-UHFFFAOYSA-N 394.453 -0.191 30 20 GBED O=S1(=O)CCN(C/C(O)=N/[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 329308203 YSUSXADRUOYJJU-GFCCVEGCSA-N 379.504 -0.370 30 20 GBED CCCS(=O)(=O)NC1CCN(/C(O)=N/CC(=O)N2CCOCC2)CC1 330692165 ZMTSIHZWFIAPBG-UHFFFAOYSA-N 376.479 -0.447 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCn2cnnc2[C@H]1C 349453806 FRWDWPLZQBBCCM-NWDGAFQWSA-N 390.491 -0.452 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2CCCO[C@H](CN)C2)CC1 423150083 YSKVOQQLZRELNX-CQSZACIVSA-N 389.431 -0.078 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C(N)=O 440964044 USHFGSQDRIELDN-ZIAGYGMSSA-N 395.423 0.546 30 20 GBED CNC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 468078726 JQMBLKIPULEIQR-NSHDSACASA-N 399.386 0.351 30 20 GBED N#CCCN(C(=O)CN1CCN(CCS(N)(=O)=O)CC1)c1ccccc1 471048087 RGJDXNYEPKPYOU-UHFFFAOYSA-N 379.486 -0.161 30 20 GBED N#CCNC(=O)CNS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 511031657 OFDIGJJRUIDSDD-UHFFFAOYSA-N 375.204 -0.534 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(CS(N)(=O)=O)c2)C1=O 511989561 QUJAWYGCVNMXCI-UHFFFAOYSA-N 380.382 -0.610 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CC(O)(C(F)F)C2)cc1 516663535 RYIPDVOLCLYLPZ-UHFFFAOYSA-N 395.409 -0.169 30 20 GBED N#Cc1ccccc1OC[C@H](O)CN1CCN(C(=O)CN2CCOCC2)CC1 528339473 PFWHAXUBYFSTCI-GOSISDBHSA-N 388.468 -0.226 30 20 GBED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccnn2CC)c1=O 532799909 NCRCHZPTUPMGQW-UHFFFAOYSA-N 389.481 -0.198 30 20 GBED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(c3cc(C#N)ccn3)CC1)CC2 557502034 PYDWTWWVOQNJNC-OAHLLOKOSA-N 394.439 -0.367 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCS2(=O)=O)CC1 563352181 GJYJFDZNZPEXES-OAHLLOKOSA-N 397.478 -0.032 30 20 GBED COC(=O)Cn1cc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cn1 565625241 GWHCTKNQLLQYBD-UHFFFAOYSA-N 377.382 -0.155 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 573579104 OHUXGSUPJQPMRT-UKRRQHHQSA-N 378.454 -0.465 30 20 GBED CCN(CCC#N)S(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C 578794504 NCZUDKZAJKHLEH-ZDUSSCGKSA-N 381.524 -0.283 30 20 GBED Cc1cc(NCCN2C(=O)CCC2=O)c(C#N)c(NCCN2C(=O)CCC2=O)n1 590585039 LFIXAIJTXGPSEU-UHFFFAOYSA-N 398.423 0.384 30 20 GBED CN(C)S(=O)(=O)N(C)CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 593472620 BCDDJQBZGYJJAB-INIZCTEOSA-N 379.486 -0.039 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 603675063 XETNEIIYTDQMFJ-CYBMUJFWSA-N 387.444 -0.874 30 20 GBED C=CCNC(=O)COC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727221309 LFTSNFPOACCEKG-UHFFFAOYSA-N 384.190 -0.262 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn(C)c2)c1=O 758055639 RXQXKQAWGCYWAP-UHFFFAOYSA-N 393.428 -0.311 30 20 GBED CCOc1ccc(O)c(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 771889683 KNVOFKMJZTXOON-UHFFFAOYSA-N 382.398 -0.499 30 20 GBED C#CCNC(=O)COC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 811679661 QFHBVAIJLMKTST-LBPRGKRZSA-N 395.437 -0.652 30 20 GBED C#CCN1CCN(C(=O)CN2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)CC1 819702260 VUESARVPJBZKGR-UHFFFAOYSA-N 395.471 -0.839 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(F)cc3nccnc23)CC1 831555884 BWCORZRYEYFFRA-UHFFFAOYSA-N 377.401 -0.006 30 20 GBED Cn1c(N[C@H]2CCN(c3sccc3C(=O)O)C2=O)c(C#N)c(=O)n(C)c1=O 833038593 CZDRAJJDBRPZHS-JTQLQIEISA-N 389.393 -0.067 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 850712655 OFSVOPNOJPWEJM-GOSISDBHSA-N 378.429 -0.679 30 20 GBED C[C@@]1(CO)CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@]1(C)CO 862998943 HLTWAMDMYTYVKQ-HDICACEKSA-N 395.481 -0.045 30 20 GBED N#Cc1cccnc1NCCNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 917159100 BBRIORFAPZCOGM-KGLIPLIRSA-N 391.453 -0.483 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCOCC2=O)cn1 998954590 ODIWYHQABKZERV-IKGGRYGDSA-N 382.420 -0.217 30 20 GBED C=CCn1cc(C(=O)NC[C@]23CCC[C@H]2CN(C(=O)[C@H]2C[C@H]2C(N)=O)C3)nn1 1009584890 ABEHHYPSDJRQBG-LJPSSGMGSA-N 386.456 -0.056 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cn3c(O)nnc3O)[C@@H]2C1 1022318660 SZZXWYUVZPZYKM-XPCVCDNBSA-N 391.428 -0.270 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@]34CCC[C@H]3OCC4)C[C@H]2O)nn1 1023769529 WAZLMQGNOVLGAD-DRRHNWJESA-N 375.429 -0.275 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cn(CC)nn2)C[C@H]1O 1023940066 XJCHVHAJYQOKIV-HWMZRRJGSA-N 377.445 -0.490 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(CC3CC3)nn2)C1 1025406789 WKWLLDSMDUHOQN-XOUADPBQSA-N 375.429 -0.419 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2nc(O)c3cnn(C)c3n2)C[C@H]1O 1041384855 GGSMLKJRFDYMKD-ASEORRQLSA-N 388.428 -0.284 30 20 GBED N#CCNC(=O)CN1CC2(C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)c3nccn32)C1 1101634145 NVSVKLWSFKSIRZ-FAYXSQRVSA-N 396.451 -0.482 30 20 GBED C=CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1102359611 SOQIKRPGMHSMBU-FPCVCCKLSA-N 380.489 -0.392 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(C)=O)CC1 1118844866 LBRDXUHOPPYSSN-MRXNPFEDSA-N 376.457 -0.508 30 20 GBED C=CCn1c([C@H](O)COC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1121636238 FKTFSWLKDDTEFB-OAHLLOKOSA-N 378.477 -0.112 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(CCN(C)S(C)(=O)=O)C[C@@H]21 1218650946 QMVJEIJMDRWYIY-FXUDXRNXSA-N 387.502 -0.620 30 20 GBED N#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]21 1223157975 WYADMLSGQPWZER-WCVJEAGWSA-N 391.472 -0.638 30 20 GBED CCS(=O)(=O)N1CCN(C(=O)C(=O)NCc2cccc(OCC#N)c2)CC1 1262220600 SLBNMMILXZTVMP-UHFFFAOYSA-N 394.453 -0.301 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 1322760013 JEDZQLFAMONNQE-PMLWWNAGSA-N 392.412 -0.965 30 20 GBED CN1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 1323306578 ZJGNMMOWHDFWBM-CABCVRRESA-N 383.408 -0.878 30 20 GBED CNS(=O)(=O)c1csc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 1323530527 SJBTUKKVCBQTBK-WYMLVPIESA-N 384.439 -0.088 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cn(CCOC)c(C)cc2=O)CC1 1326430345 LCVQLASQCWXINY-UHFFFAOYSA-N 388.468 -0.300 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C[C@]1(C)CO 1327351648 GEDDGXVURWGOFV-PJIJBLCYSA-N 386.456 -0.138 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCOC[C@@H]1c1ccco1 1346278170 UFTHPLANEKKSGP-IUDBQGPFSA-N 388.380 -0.178 30 20 GBED C#Cc1ccccc1CC(=O)NC[C@H](CO)N=c1cc[nH]cc1-c1nn[nH]n1 1588376987 OBAXUAMMRIXWAH-OAHLLOKOSA-N 377.408 -0.203 30 20 GBED C#Cc1cncc(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)c1 1588381337 YMNYHXNWRYKHQG-CYBMUJFWSA-N 380.368 -0.908 30 20 GBED CN(CCOCCNC(=O)c1cc(C#N)c[nH]1)c1cncc(-c2nn[nH]n2)n1 1591110188 AJYVFUJUBOBQLA-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)O)C2)C1 1592222324 UVIJQYMFODTIAJ-KTEZZQQRSA-N 393.487 -0.135 30 20 GBED N#CCN1CCC(NC(=O)C(=O)NCc2cc(-c3nn[nH]n3)ccc2F)CC1 1592677462 MQEMUOBTQBOSER-UHFFFAOYSA-N 386.391 -0.274 30 20 GBED O=C(C#CC1CC1)NCCN1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1592768136 DRNJJDFFSPSZFO-UHFFFAOYSA-N 382.428 -0.518 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(-c4nn[nH]n4)c3C2)CCN1C1CC1 1606345238 GLFFFFNKYOISAI-AWEZNQCLSA-N 392.423 -0.092 30 20 GBED N#Cc1ccc(N2CC[C@@](O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cn1 1606368680 BYRYNMYXZCLPJW-QGZVFWFLSA-N 379.384 -0.167 30 20 GBED CN(Cc1ccc(OCC(=O)O)cc1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1610122449 XEGPSSILLAWAEU-SFHVURJKSA-N 375.381 -0.015 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCOC1 1611712031 WYOSFRWWMMXIRG-XQQFMLRXSA-N 384.462 -0.346 30 20 GBED O=C(C#Cc1ccccc1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781045799 PMBZJMUJSBKFDS-WFXMLNOXSA-N 383.448 -0.409 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1783107153 KKUGFTSTCARWTD-ZJNRKIDTSA-N 378.429 -0.373 30 20 GBED Cc1nn(C)c(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1F 1783557077 GTZDHHUGIZKCSL-KRWDZBQOSA-N 378.360 -0.601 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C=CCN3)[C@H]2C1 1787401964 UPGOBMGYLQPONO-QAETUUGQSA-N 389.500 -0.224 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3ccnn3)[C@H]2C1 1790639374 SUHFGFQKMBFFKK-NRKLIOEPSA-N 389.456 -0.143 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CNC(C)=O 1793468143 CWPFSFPPQJSZTQ-MXASKKJJSA-N 393.484 -0.223 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2ncccc2n1 1797038879 BDGUGMHKFQRBMB-ZXFNITATSA-N 397.435 -0.029 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C2 1797710822 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GBED CS(=O)(=O)N[C@@H]1CCN(/C(O)=N/[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 329491852 SYNSUWAKMHNOEH-VXGBXAGGSA-N 394.519 -0.520 30 20 GBED C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 349464385 NMEHGPSVCUSTAO-JHJVBQTASA-N 397.544 -0.568 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@](C)(C(N)=O)C1 349485337 AGPACRKACLUDRT-AWEZNQCLSA-N 394.519 -0.533 30 20 GBED CN(C)C1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C2(C#N)CCC2)C1 349499806 KPYOYTJBMQGKOU-UHFFFAOYSA-N 378.520 -0.340 30 20 GBED CCOCCS(=O)(=O)NCC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 366064409 APIIGQZPDVZTBM-UHFFFAOYSA-N 395.485 -0.006 30 20 GBED Cc1ccn(C)c(=O)c1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446534297 YZYJNNXXHSVCBJ-UHFFFAOYSA-N 375.429 -0.293 30 20 GBED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cnn(C)c3C#N)CC2)C[C@@H](C)O1 474796158 ZZXCAEDVPYMCAB-CHWSQXEVSA-N 396.473 -0.596 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(C#N)c(F)c1 489716598 IKTFJJSWKRXJED-CQSZACIVSA-N 399.400 -0.234 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)CC2)c1C#N 530469183 QNZVJNTXZPZASW-HNNXBMFYSA-N 387.488 -0.341 30 20 GBED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC(=O)NCC#N 553650911 DITGYDBTOOCPMD-UHFFFAOYSA-N 396.425 -0.914 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)O1 562178261 DLUWXLOIXOABMD-HIFRSBDPSA-N 394.453 -0.411 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCCn2cncn2)cc1 594627113 LRUZXHHKAKIHPS-UHFFFAOYSA-N 398.470 -0.209 30 20 GBED CCCN1C[C@H](C(=O)NCC#CCNC(=O)[C@@H]2CC(=O)N(CCC)C2)CC1=O 665419354 OOOBZQPEVPLQJU-HZPDHXFCSA-N 390.484 -0.261 30 20 GBED O=C(NCC#CCNC(=O)C1(C(=O)NC2CC2)CC1)C1(C(=O)NC2CC2)CC1 681341306 WHXUDEJUYVGHAK-UHFFFAOYSA-N 386.452 -0.660 30 20 GBED NC(=O)[C@@H]1CC(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)=NN1c1ccccc1 731861172 NXUXLMVXPOFYPO-DNQHLSNTSA-N 396.407 -0.251 30 20 GBED C[C@H](CC(=O)NCCN1C(=O)CNC1=O)/N=C1/NS(=O)(=O)c2ccccc21 742672407 GHIPSPAIUVLRFK-SNVBAGLBSA-N 393.425 -0.828 30 20 GBED C[C@@H](CC(=O)OCCN1C(=O)CNC1=O)/N=C1/NS(=O)(=O)c2ccccc21 745494955 DIKFQUPVHNHXKR-JTQLQIEISA-N 394.409 -0.401 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(OC)cc2OC)CC1 761037246 NWIGFWPXWWICBY-UHFFFAOYSA-N 396.469 -0.273 30 20 GBED CS(=O)(=O)CCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 781516413 HPBHEQQYMKBXOS-UHFFFAOYSA-N 379.373 -0.018 30 20 GBED C[C@H](OC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)NC1(C#N)CCC1 785659220 BQBYACFWAKUGLX-GJZGRUSLSA-N 392.456 -0.339 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1)[C@@H]1CCCO1 808841536 STIDKQCSOFUSFV-OLZOCXBDSA-N 399.494 -0.252 30 20 GBED CNS(=O)(=O)c1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)c(C)o1 821637504 IZFPANGQCDDHGP-UHFFFAOYSA-N 377.346 -0.477 30 20 GBED Cn1cc(S(=O)(=O)NCC(=O)O[C@H](C(=O)O)c2cccc(C#N)c2)cn1 833053169 QBANHXPLVAVAFL-AWEZNQCLSA-N 378.366 -0.061 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2ccccc2C(=O)O)CC1 833365170 CROHTWMGKRHKOC-UHFFFAOYSA-N 393.465 -0.028 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)n2)c(=O)n1CC(C)C 839210141 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C#C[C@@H](NC(=O)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)[C@H]1CCCO1 1346939977 UNSLQODATQTFSC-HUUCEWRRSA-N 383.470 -0.644 30 20 GBED COC[C@@H](OC)C(=O)N(Cc1cnn[nH]1)C1CCN(C(=O)[C@@H](C)C#N)CC1 1576964836 FMWJIHWQGDRELM-SWLSCSKDSA-N 378.433 -0.055 30 20 GBED CC(C)(C)C#CC(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1589067527 AYFPCGJRIVPNKP-SFHVURJKSA-N 385.428 -0.063 30 20 GBED CC(C)(C)OC(=O)N1CCO[C@H](CS(=O)(=O)N(CC#N)CC(=O)O)C1 1590067926 YPXJYKJTDAFTBZ-NSHDSACASA-N 377.419 -0.138 30 20 GBED N#CCN(CCC(=O)O)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1601070996 OKKMKWUHJJOZEK-MGPQQGTHSA-N 399.469 -0.077 30 20 GBED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCn1cnc(-c3nn[nH]n3)n1)CC2 1606380732 CVMSVKXISMFKIY-UHFFFAOYSA-N 378.356 -0.965 30 20 GBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](COC(C)=O)OC(C)=O)C1 1779408447 VOISGYCBHDOJBU-FRQCXROJSA-N 394.424 -0.372 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1784349331 AYERMSUUWRYCAD-YJYMSZOUSA-N 386.408 -0.568 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)NCC(C)C)C[C@@H]21 1784482285 KGZXWZSDNBFSSK-QZWWFDLISA-N 393.484 -0.223 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)nn1)C2 1793356104 WIHQTEBGGBFELZ-JFILPPLUSA-N 376.413 -0.024 30 20 GBED Cc1cc(NC(=O)CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)no1 1795081254 YAVZVPXMGIAHCP-DPIQGUFMSA-N 375.385 -0.185 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)NCC(C)C)C2 1797710948 OXOARFQXNWQXDN-FZKCQIBNSA-N 395.500 -0.079 30 20 GBED Cc1nn[nH]c1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812879054 OXPISOBOUBESQN-GUYCJALGSA-N 382.380 -0.084 30 20 GBED CN(CC(=O)N[C@H]1CCc2nc(NC(=O)CCC#N)sc2C1)C(=O)C(=O)O 1814502310 FYEOSVNUPKIHHP-VIFPVBQESA-N 393.425 -0.098 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1C(=O)C=CC1=O)CCO2 1832025497 YVXRXUDXKZHUCA-IBGZPJMESA-N 391.424 -0.666 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1nnc(C)s1)CCO2 1833023341 NISUSVBXGXFTKA-QGZVFWFLSA-N 378.454 -0.131 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838062773 HIPBXABELRYTPC-FZKQIMNGSA-N 392.412 -0.776 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1839808000 LBGNTXHPGXSHEK-SFHVURJKSA-N 375.381 -0.059 30 20 GBED C/N=C(/NCCN1CCOC(C)(C)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 262604551 ZMUWVWKTSYWCAJ-MRXNPFEDSA-N 381.521 -0.004 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCN1C(=O)CNC1=O 268873955 DJGKRLJSWNCYBE-LLVKDONJSA-N 393.425 -0.717 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1=O 281237679 CQKIRZAYBFIUMO-HNNXBMFYSA-N 390.444 -0.008 30 20 GBED CN1CCN(C(=O)c2ccc(C/N=C(/O)N3C[C@@H](O)C[C@H]3CO)cc2)CC1 330065644 DDQVTJRTNHUUEN-IRXDYDNUSA-N 376.457 -0.084 30 20 GBED C=CCOC[C@@H]1NC(=O)N(Cc2ccccc2S(=O)(=O)N(C)CCO)C1=O 348609716 GOBZIAIZCKISFW-AWEZNQCLSA-N 397.453 -0.078 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)CC1=O 349500634 TWHYPSOTYXDZLI-UHFFFAOYSA-N 380.492 -0.956 30 20 GBED CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1CO 349514056 CXDIDBJTWYSAEU-OCCSQVGLSA-N 379.504 -0.225 30 20 GBED N#C[C@@H]1CN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CCN1Cc1ccccc1 365248181 CTQUOBDDCQJZGE-OAHLLOKOSA-N 388.453 -0.233 30 20 GBED COc1ccc(CCNS(=O)(=O)N(C)C[C@@H](C)C#N)cc1S(N)(=O)=O 409501385 QTGKRMVPHMZYMX-NSHDSACASA-N 390.487 -0.189 30 20 GBED COc1ccc(C[C@@H](CO)CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1O 410126516 ANJNANZEKQTMRM-KGLIPLIRSA-N 385.442 -0.389 30 20 GBED CCCS(=O)(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1 425234672 MOMMUMMLBMZOPA-UHFFFAOYSA-N 388.471 -0.566 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCNC(=O)C(C)C 460592638 OKJHLMMAGJZVNB-UHFFFAOYSA-N 383.412 0.274 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCN(C)CC3)nc2)C1=O 519104799 UAMQZHRDMZWPSZ-UHFFFAOYSA-N 386.412 -0.251 30 20 GBED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1 533320707 PNJNSJSWSSXFJY-UHFFFAOYSA-N 382.446 -0.462 30 20 GBED CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1 550156936 SIXWTSPQTUTNAX-AWEZNQCLSA-N 376.438 -0.012 30 20 GBED COc1ccc(S(=O)(=O)N2CC(NC[C@@H](O)CN(C)CCC#N)C2)cc1 565594324 UHXHTXKCULKQKN-OAHLLOKOSA-N 382.486 -0.136 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCn3ccnc3C2)cc1 569502387 KWWIDMPKKVROKD-GFCCVEGCSA-N 395.466 -0.022 30 20 GBED Cn1cc(C[C@@H](CO)CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cn1 582367021 CQIILKZSQDNLLG-OAHLLOKOSA-N 391.453 -0.463 30 20 GBED CCN1CC[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C1=O 594633711 AWLPKOGNRMXDJU-NSHDSACASA-N 386.455 -0.612 30 20 GBED Cc1ccc(C#N)cc1S(=O)(=O)NCCN1CCN(S(C)(=O)=O)CC1 609632444 YUKYPEJYZZWIRD-UHFFFAOYSA-N 386.499 -0.278 30 20 GBED COC(=O)CN(CC#N)C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 609992158 SUXKPKBIQMDDOG-UHFFFAOYSA-N 386.455 -0.109 30 20 GBED CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCn2cnc(C#N)n2)cc1 672253158 BKBYQDFEKOJBQG-NSHDSACASA-N 390.425 -0.164 30 20 GBED C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)nc1 728813859 RTIVTGNDRYARHL-UHFFFAOYSA-N 388.405 -0.099 30 20 GBED COC(=O)[C@H](CC(=O)O)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 737568313 VSUUOWRVENTWEF-NSHDSACASA-N 383.382 -0.457 30 20 GBED CCN(C)S(=O)(=O)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 744240365 NFIGROPZTAWCER-SNVBAGLBSA-N 388.471 -0.184 30 20 GBED C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 746437135 TYIHPVUJWFVVIW-CQSZACIVSA-N 387.444 -0.500 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cnn(C3CCOCC3)c2)CC1 749916614 OJAHOUCMAVMYCQ-UHFFFAOYSA-N 395.485 -0.710 30 20 GBED COc1cccc([C@H](C#N)NC(=O)CN2CCN(S(C)(=O)=O)CC2)c1OC 759785129 WSLXEWQOQKAWGU-AWEZNQCLSA-N 396.469 -0.038 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(OC)n2)c1=O 790427660 JIPBSPWYIMZFCU-UHFFFAOYSA-N 380.429 -0.272 30 20 GBED C#CCC[C@@H](O)CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 799287984 VQZJMPDNDXGZPC-CQSZACIVSA-N 393.465 -0.284 30 20 GBED C[C@H](C#N)OCCOn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21 802726429 KHIVEDMNAGLRGV-GFCCVEGCSA-N 381.414 -0.191 30 20 GBED CC(C)Cn1c(N)c(C(=O)Cn2cnc(C#N)c2-c2nn[nH]n2)c(O)nc1=O 824280451 OFBCOFQPRDGFQG-UHFFFAOYSA-N 384.360 -0.682 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](O)C[C@H]1C 848956148 KWHMDLJYTONZCR-KGLIPLIRSA-N 397.478 -0.022 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1nc(C)n(C)n1)C(C)C 848963317 PFWMNRGMTOCRER-LBPRGKRZSA-N 377.492 -0.167 30 20 GBED C#C[C@@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)Nc1ccc(O)nn1 848969660 XAAUDNKEADKTIS-LLVKDONJSA-N 376.460 -0.013 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2OC)cn1 944098921 AFSKMFJOXDKVDJ-QKPAOTATSA-N 386.408 -0.949 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@H]1O 1025710353 KSGHOPLFUQEEKO-NGFQHRJXSA-N 375.429 -0.565 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnnc1O 1110462109 XPNNAVLJIBLNAJ-MCIONIFRSA-N 375.433 -0.533 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CCC[C@H]3C(=O)NC3CC3)CC2)c1 1117894842 GKAZIURWLZLHQY-INIZCTEOSA-N 396.451 -0.129 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1119012506 APNPZZFHQDTCCG-QGZVFWFLSA-N 393.451 -0.199 30 20 GBED Cn1cc([C@@H]2C[C@H]2C(=O)NCc2nc([C@H]3CCO[C@H]3CNCC#N)n[nH]2)cn1 1130240618 WCTDWEUZVAZMGF-XQLPTFJDSA-N 384.444 -0.056 30 20 GBED C[C@]1(C#N)CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)C1 1326036272 OQIFCUWDNZBQBI-DNVCBOLYSA-N 375.473 -0.191 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCCO1 1327731361 KHUGCGXGWXYVNW-JKSUJKDBSA-N 393.465 -0.150 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 1336602432 RSBUZAOLEFVLDU-PNBKFKSVSA-N 386.518 -0.795 30 20 GBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCN(C(COC)COC)CC1 1337994605 CIABOWDZTLCMNG-CQSZACIVSA-N 378.477 -0.149 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCO[C@H](COCC)C1 1339511603 JQAKAFBFYWAVOH-ZDUSSCGKSA-N 390.444 -0.230 30 20 GBED N#Cc1ccc(OC2CN(C(=O)C(=O)NCCS(=O)(=O)C3CC3)C2)cc1 1345459451 XEARKWRHHTVAKY-UHFFFAOYSA-N 377.422 -0.159 30 20 GBED CC(=O)NC[C@H]1CN(C(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CCO1 1348390697 WXCHQLZPWYRMHV-INIZCTEOSA-N 386.408 -0.489 30 20 GBED NCC1(O)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1349272758 UYLJAAXFTOGNHQ-UHFFFAOYSA-N 380.470 -0.183 30 20 GBED C[C@@H](C#N)C(=O)N[C@@H](CO)CNC(=O)c1ccc(OCCc2cnn[nH]2)cc1 1575177859 MQANBLYXECCLEG-SWLSCSKDSA-N 386.412 -0.207 30 20 GBED N#Cc1nccnc1N1C[C@H]2[C@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H]2C1 1581884923 HCXRBRNADUMVPK-CNDDSTCGSA-N 376.384 -0.031 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H](C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588351183 IISWYEQFEAXQKV-DOMZBBRYSA-N 384.444 -0.083 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@]2(C(=O)O)C[C@@H](OCC)C2(C)C)C1=O 1588832107 BIWSCUNTGHWWGZ-BMLIUANNSA-N 381.385 -0.262 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)c1cnn(C)c1 1598453295 ZGBQEZHKDMQYTJ-LLVKDONJSA-N 375.410 -0.042 30 20 GBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCN(c3cnccc3-c3nn[nH]n3)CC2)C1 1606343754 SCTGTVSXYOMHCE-KRWDZBQOSA-N 399.390 -0.626 30 20 GBED N#Cc1nccnc1NC[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1606398434 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1793360682 YIJMZLZFHVLYDL-HAZWZUGHSA-N 398.456 -0.217 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2 1800451766 DCFDFDLRZZCZGK-HLPPOEQASA-N 395.456 -0.251 30 20 GBED COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S 1800980176 AZHPCPZBFKWGFE-DYNIEEOBSA-N 376.500 -0.200 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C(=O)C(=O)O 1801330629 SSSNGDYGUPDWJC-YIYPIFLZSA-N 396.444 -0.032 30 20 GBED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1831209389 LLHABGVMIHHJEC-HXUWFJFHSA-N 384.436 -0.111 30 20 GBED NC(=O)[C@H](N)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831670489 YETSLAJCYRKEMU-HUUCEWRRSA-N 392.456 -0.713 30 20 GBED CC1=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CCO1 1836274660 NDDCOKVCPVAAFQ-GOSISDBHSA-N 378.381 -0.775 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)CC)C2)C1 1837402254 AFEVWDYWMYLMFY-KXBFYZLASA-N 382.457 -0.005 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1837648856 WQDXKUPPVOMOOI-JKIFEVAISA-N 397.501 -0.311 30 20 GBED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CN)C3)C2)c1 1839420428 ILONXXQXXXUVFV-SFHVURJKSA-N 376.388 -0.274 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCSCC3)C2)C1 1840044973 KFIAFLJTSSFXNR-SFHVURJKSA-N 396.465 -0.326 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1840157507 RJRHJYRNCXMMJT-DYVFJYSZSA-N 380.470 -0.206 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1840165687 GZLPIZJFWMBNAF-CXAGYDPISA-N 382.486 -0.263 30 20 GBED Cc1cc(C#N)ccc1S(=O)(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 265876182 NKMLFXCGZPQVFU-ZDUSSCGKSA-N 385.467 -0.210 30 20 GBED CCCNC(=O)/C(C#N)=c1\s/c(=C\c2cnn(CCOC)c2)c(=O)n1CC 266460988 GQABYTXPRPRGCZ-SOUBVSJWSA-N 389.481 -0.198 30 20 GBED Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 275486414 KCBRXJISXKWTAU-HUUCEWRRSA-N 399.494 -0.357 30 20 GBED COCCOc1ccc(CNC(=O)CN(CC#N)S(=O)(=O)N(C)C)cc1 289478228 XQUMNAHEVDCNHR-UHFFFAOYSA-N 384.458 -0.040 30 20 GBED CC(=O)N1CC(C(=O)N2CCSC[C@H]2C/N=C(/O)C2CN(C(C)=O)C2)C1 329058818 YOLTXIUKEVFXLN-OAHLLOKOSA-N 382.486 -0.157 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CCCO[C@@H](CF)C2)CC1 349455790 COGNMJKUPLKIGG-LBPRGKRZSA-N 383.467 -0.258 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@H](Cn3nc(C)nc3C)C2)C1=O 464909012 KVLOVBOFNHFRHL-ZDUSSCGKSA-N 390.400 -0.901 30 20 GBED Cc1ccc(S(=O)(=O)NCCN2CCN(CC(=O)NCC#N)CC2)cc1 533516579 TYIPGFHYNLZRCM-UHFFFAOYSA-N 379.486 -0.469 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)C1=O 562347408 HCVORHAIXJVBER-ZDUSSCGKSA-N 391.428 -0.432 30 20 GBED CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 568031032 LXGZKKNEOXXEMR-OAHLLOKOSA-N 393.469 -0.092 30 20 GBED COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 572378993 ZZRBYTMRKAWGTJ-SNVBAGLBSA-N 387.439 -0.139 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CCCOCC2)s1 594637180 IRKCGUURIIUIEW-UHFFFAOYSA-N 394.500 0.199 30 20 GBED Cc1cnc(S(C)(=O)=O)nc1C(=O)N(CCC#N)CCN1CCOCC1 597021465 MHNGQBVXUGSNFB-UHFFFAOYSA-N 381.458 -0.123 30 20 GBED CCOC(=O)C[C@@H](O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 600607458 FINPZKAHBBLOAO-GFCCVEGCSA-N 381.385 -0.463 30 20 GBED COCc1nc(Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)no1 600608675 WLMOEVVMVWECBM-UHFFFAOYSA-N 377.357 -0.199 30 20 GBED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)NCC#N)[C@H](C)O)cc1C 731233621 MPOPYMKVBVOVNV-SWLSCSKDSA-N 383.426 -0.486 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)Cc2ncnn2CC(F)F)c1=O 782992969 XQCILKMBMYTDHD-UHFFFAOYSA-N 397.386 -0.510 30 20 GBED CCS(=O)(=O)N1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 806781292 WQBSQBWAHQNYAY-DKASORFFSA-N 399.473 -0.422 30 20 GBED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)C(=O)O 833483508 KTDYLXLERLRBPK-NEPJUHHUSA-N 383.426 -0.299 30 20 GBED C#CCN(C)CCCNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 838623720 ITOGIAFZPHWWIF-MRXNPFEDSA-N 386.518 -0.223 30 20 GBED CCOC(=O)CON=C(C(=O)NCCN1C[C@@H](C)OC[C@@H]1C)c1cc[nH]n1 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C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@@H]21 1223500689 VMDVVFNCGRWBMF-LTIDMASMSA-N 390.484 -0.706 30 20 GBED N#Cc1ccccc1OC[C@@H](O)CN[C@H]1CC(=O)N(CCN2CCOCC2)C1 1262567339 POEBRCZUYHPEIH-ROUUACIJSA-N 388.468 -0.179 30 20 GBED CN1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1323419586 IIUPABJGPOGKQX-BKJYESAMSA-N 389.456 -0.428 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)n1 1324402829 HKUGBGDVDSJPAJ-CVEARBPZSA-N 389.456 -0.383 30 20 GBED CC#CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1327175878 IUPWXKWELOYMCE-UHFFFAOYSA-N 386.518 -0.021 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 1328733798 WDTWXUOJMJHRQC-QGZVFWFLSA-N 398.463 -0.262 30 20 GBED C#CCCCn1nnnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 1334116640 LXQRBLFYKBBHIX-GASCZTMLSA-N 397.505 -0.438 30 20 GBED C#CCN1CCC(C(=O)N[C@@H](C)CCNCC(=O)NCc2cnn[nH]2)CC1 1574966886 KCMPAVSENCACSW-AWEZNQCLSA-N 375.477 -0.750 30 20 GBED C#Cc1cncc(C(=O)N2CCC(N(Cc3cnn[nH]3)C(=O)C(N)=O)CC2)c1 1575033361 YQKBLWVLMVNJOC-UHFFFAOYSA-N 381.396 -0.700 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC(=O)N(C2CN(CCc3cnn[nH]3)C2)C1 1575054785 WZNPDRNRXJCWCL-ZVZYQTTQSA-N 388.472 -0.270 30 20 GBED C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C(=O)OC 1588336745 FHTWCQYQFBXCQA-LLVKDONJSA-N 379.398 -0.294 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2C1 1588356585 YBINSFKZOWWTAD-FPMFFAJLSA-N 383.412 -0.237 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)c1 1588379245 DFEUYHPQWJNTBR-CHWSQXEVSA-N 377.368 -0.988 30 20 GBED CCn1cc(C#N)c(=O)n(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)c1=O 1590949253 APWBDEGRJMXXTB-CYBMUJFWSA-N 383.368 -0.478 30 20 GBED CN(CCN1CCN(c2nccnc2-c2nn[nH]n2)CC1)C(=O)C#CC1CC1 1591096073 MSZLLVIOEWGDKX-UHFFFAOYSA-N 381.444 -0.350 30 20 GBED O=C(CC#Cc1ccccc1)NC[C@@H](O)CNc1cnc(-c2nn[nH]n2)cn1 1592803000 MIPACPDSYXLJRY-AWEZNQCLSA-N 378.396 -0.013 30 20 GBED C=CCn1cc(C(=O)N2CCC[C@@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)C2)nn1 1602882890 ZMVCJJMTATYSLT-LLVKDONJSA-N 381.404 -0.427 30 20 GBED C[C@@H](C(=O)N1CCN(c2cnccc2C#N)CC1)n1cnc(-c2nn[nH]n2)n1 1603003868 YADVXKXNGXWRAW-NSHDSACASA-N 379.388 -0.365 30 20 GBED CN(CCOCCN=c1cc[nH]c(-c2nn[nH]n2)n1)C(=O)c1cc(C#N)c[nH]1 1604781208 GCRQKUVEXGANFM-UHFFFAOYSA-N 382.388 -0.521 30 20 GBED Cn1c(=O)[nH]c(N2CCN(c3ccc(C#N)cc3)CC2)c(-c2nn[nH]n2)c1=O 1606201840 GONMTBHZAPQLIB-UHFFFAOYSA-N 379.384 -0.548 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)ccn3C)C2)C1 1780101201 BCQSYTSDEHJOSN-YWZLYKJASA-N 387.436 -0.133 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)ncn1)C2 1782011252 RVGDYOMZZCDGIC-FZKQIMNGSA-N 388.380 -0.602 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3ccnn3c1)CCO2 1783566322 TZXYOSDMCCQXME-IBGZPJMESA-N 382.376 -0.134 30 20 GBED CN[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1)C(=O)O 1785365393 VPZFMJQLKYGPOA-SCLBCKFNSA-N 378.429 -0.427 30 20 GBED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C)CC3)[C@H]2C1 1788195068 GBWFZRBQGCHENM-VGWMRTNUSA-N 384.546 -0.468 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C3)[C@H]2C1 1790857205 ULMCCIAUQXJZTJ-QRJUGERDSA-N 393.484 -0.325 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)c1ccco1)C2 1793341092 JGAKAZPNSCGOAH-QZLJAVCYSA-N 376.409 -0.059 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N(C)C(C)=O 1796452244 YYKXHWGAKBWFBD-GWCDLVAZSA-N 379.457 -0.519 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1831391357 NYDDEEQXYYXAHR-KBXCAEBGSA-N 376.413 -0.482 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2C=CCN2)CCO3)c1 1836479745 PHPYDKOECNSRRY-HNAYVOBHSA-N 385.424 -0.516 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1nccn1)CCO2 1839237796 FEHXABVOYLYMHL-SFHVURJKSA-N 375.429 -0.462 30 20 GBED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)CC1 1839898486 BNRINVXYOSXSSP-WBMJQRKESA-N 386.470 -0.286 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1840173602 HKLGWRNRUPYZLO-KSSFIOAISA-N 382.461 -0.274 30 20 GBED CNC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812496 VCFLFBJMOUDKLV-SFHVURJKSA-N 378.429 -0.727 30 20 GBED CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816391 PXOOKIQFHAAHQO-SFHVURJKSA-N 378.429 -0.727 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840918486 ZOSNHISLVXKHFK-XJKSGUPXSA-N 388.490 -0.935 30 20 GBED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)cc1 1844927811 FETLMSQMIVWRGX-CQSZACIVSA-N 381.392 -0.027 30 20 GBED CN(C)C(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@H]1CCCCO1 1847344204 AGWWZNQXSIXYAY-ZLGJIJDASA-N 395.460 -0.012 30 20 GBED C/N=C(/NC[C@H](C)N1CCN(C)CC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 114086647 WHUFRBGTSOYNCO-DLBZAZTESA-N 380.537 -0.479 30 20 GBED C/N=C(/NC[C@H]1CCCN1S(C)(=O)=O)N1CCN(C[C@H]2CCOC2)CC1 261856639 XXNZPLPXEGGGGQ-HZPDHXFCSA-N 387.550 -0.360 30 20 GBED COC(=O)CNC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 263855347 PUBQNNCGVCQGQH-UHFFFAOYSA-N 380.426 -0.846 30 20 GBED COc1cc(CNC(=O)CO/N=C(\N)CN2CCOCC2)cc(OC)c1OC 264692541 HSUSZYIXBVKGJJ-UHFFFAOYSA-N 396.444 -0.050 30 20 GBED COCCN1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1=O 271856057 NENWJJLUMGQFOU-UHFFFAOYSA-N 376.417 -0.235 30 20 GBED N#Cc1ccccc1OCC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 281938802 IPZDGBVBTYHAAG-UHFFFAOYSA-N 386.408 -0.533 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)C1=O 299531455 NBSSHPZQOODZIW-UHFFFAOYSA-N 398.419 -0.123 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1CC(O)(C(F)F)C1 349466540 MRVWBHVLVJVVRP-UHFFFAOYSA-N 389.446 -0.418 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 349475392 MQONHGDKFMVHGS-RYMFRWLXSA-N 377.488 -0.353 30 20 GBED CN1CCCN(S(=O)(=O)CCCS(=O)(=O)N[C@@]2(C#N)CC2(C)C)CC1 349534599 HHTQBDCXTLWJCH-OAHLLOKOSA-N 392.547 -0.045 30 20 GBED C[C@@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)N1CCCn2ncnc21 349573180 JJZWZQJWLGSKFF-NSHDSACASA-N 376.464 -0.713 30 20 GBED Cn1cc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)ccc1=O 349607098 YUPVKUHAGIUXNE-UHFFFAOYSA-N 388.471 -0.308 30 20 GBED C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 511352808 XSXRPBSEVQIRCX-UHFFFAOYSA-N 383.426 -0.064 30 20 GBED C=CC[C@@H](CO)CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 540418325 QTRXOSFNUGQXSW-CYBMUJFWSA-N 381.454 -0.279 30 20 GBED CNC(=O)[C@@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCO1 542923061 HVRSTBSBAJTVJS-ZDUSSCGKSA-N 380.426 -0.616 30 20 GBED CN(CC(=O)N1CC(N2CCNC2=O)C1)S(=O)(=O)c1ccc(C#N)cc1 552040081 ZVXACHHQJACBCV-UHFFFAOYSA-N 377.426 -0.585 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)C)cc1 563898681 OKHBEXIQRXSTIQ-NSHDSACASA-N 388.471 -0.366 30 20 GBED CNC(=O)C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 566690602 VWIVNJQIBZILOE-QWRGUYRKSA-N 388.471 -0.320 30 20 GBED C=CCNC(=O)CN1CCN(S(=O)(=O)CC2CCS(=O)(=O)CC2)CC1 577310582 AHHNEYLJNIGXJE-UHFFFAOYSA-N 393.531 -0.939 30 20 GBED CC(C)(CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)NS(C)(=O)=O 589408144 RQQCAMAOPNAWCL-UHFFFAOYSA-N 388.471 -0.719 30 20 GBED C=CCN(C(=O)C(=O)N1CCC(N2C[C@@H](C(=O)O)CC2=O)CC1)[C@@H](C)COC 662912924 LHQNJPHWCZCUPS-KBPBESRZSA-N 395.456 -0.040 30 20 GBED CCN(CC)CC(=O)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 746217900 PWDRHYTYJOGXBH-VHEBQXMUSA-N 391.472 -0.085 30 20 GBED COC(=O)[C@]1(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCOC1 755736650 KCVSFDBPMSZHHL-DIFFPNOSSA-N 395.437 -0.048 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 761035588 AWGFKWXHZGEEQJ-UHFFFAOYSA-N 395.441 -0.357 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cn2ccnc2)C(=O)OC)c1 779563849 IYVUEZMBGWJFKF-HNNXBMFYSA-N 390.421 -0.234 30 20 GBED N#CCCOCCOC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 815185717 KVLBZTJZMKWTRJ-UHFFFAOYSA-N 381.410 -0.106 30 20 GBED N#C[C@H](C(=O)c1ccc(-c2nn[nH]n2)s1)C(=O)N1CCS(=O)(=O)CC1 822800951 BTMNQDRCUDNJMZ-MRVPVSSYSA-N 380.411 -0.492 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)CC1 843250614 BIISABPGSGIHBH-CABCVRRESA-N 398.423 -0.441 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCCOC[C@H]1C 848959060 XDHICBNPOCQAAI-CQSZACIVSA-N 377.488 -0.394 30 20 GBED N#Cc1cc(F)ccc1N1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 884725653 RPMXQWCKLBCNFO-OAHLLOKOSA-N 375.404 -0.549 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCOC 916198282 JVBFPKWRMAXRNB-UHFFFAOYSA-N 388.449 -0.783 30 20 GBED C#Cc1cncc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)c1 969643766 ZENDIQHOJGPIED-KONPQCLYSA-N 379.420 -0.098 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2ncccn2)C1 990937176 PPAQMISHMZNNCI-KBXIAJHMSA-N 383.412 -0.159 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CNC(=O)c2nccnc2C(N)=O)C1 993997766 PXPCQPOBUCSLLA-SYQHCUMBSA-N 387.440 -0.009 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 1019439792 CLIYDCJSTQVCPG-CBBWQLFWSA-N 377.441 -0.329 30 20 GBED C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCO[C@H]3C=C)C2)CC1 1025711017 ADZMIVUJVHFPRM-TVFCKZIOSA-N 375.469 -0.389 30 20 GBED Cc1ccc(C#N)c(N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)n1 1039622039 GSLMMFHCNMEXDR-BARDWOONSA-N 380.412 -0.161 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1058232343 MIIQDBODQVPEQF-UFYUIRFASA-N 393.484 -0.182 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)n(C)c(=O)n1C 1109204047 BHJOGDNHMMTALW-MOMAJJCNSA-N 376.457 -0.367 30 20 GBED C[C@@]1(C#N)CCCN(C(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 1117337926 FTMWYHKGMNLKQO-APWZRJJASA-N 377.489 -0.339 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([S@](=O)CC)C1 1117535343 NLWKFXSIZLCBHT-HEWAKGLMSA-N 378.516 -0.101 30 20 GBED C=CCN(CC=C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1196200614 XRLGOLUPNZGFJA-QKPAOTATSA-N 378.473 -0.750 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(CCNS(C)(=O)=O)C[C@@H]21 1217932864 PAHOZJYINLWIJJ-FXUDXRNXSA-N 387.502 -0.572 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C1CCN(C)CC1 1319987950 SOLLPIAVQNNQBO-UHFFFAOYSA-N 383.477 -0.179 30 20 GBED CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 1321889495 BTKXGIGVQZNBLG-RWMBFGLXSA-N 380.492 -0.847 30 20 GBED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCc1ccc(C#N)cn1 1324705349 CCZWRIREGZILFJ-CQSZACIVSA-N 379.442 -0.212 30 20 GBED N#C[C@H](C(=O)Cc1ccc(-n2cnnc2)cc1)C(=O)N1CCS(=O)(=O)CC1 1341935115 DAAMIWPZKCFKBV-OAHLLOKOSA-N 387.421 -0.224 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCN(c2ncccc2F)C1 1342819558 JAMXLQPYQNVKGC-LBPRGKRZSA-N 384.433 -0.367 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 1347664768 MLQNCPPVXVIASA-HZPDHXFCSA-N 391.449 -0.023 30 20 GBED CN(C[C@@H](O)CNC(=O)OC(C)(C)C)c1cnc(-c2nn[nH]n2)c(C#N)n1 1579036364 WNUCBTXFMZEOCP-VIFPVBQESA-N 375.393 -0.150 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@H]2CN(c3cncc(-c4nn[nH]n4)n3)CCO2)c1 1581862903 QAYNSBASVYXFKL-NSHDSACASA-N 380.372 -0.508 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](CO)N=c1cc[nH]cc1-c1nn[nH]n1 1588404193 FHVKGYMLQDKTRD-DOMZBBRYSA-N 388.432 -0.957 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@@H](O)CNCc1ccc(F)c(-c2nn[nH]n2)c1 1588503845 GRINTLCRNYHSGL-SJCJKPOMSA-N 378.408 -0.100 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H](C)CN=c1cc[nH]c(-c2nn[nH]n2)n1 1588658854 VVVQLUPSMCCGAR-JTQLQIEISA-N 388.436 -0.741 30 20 GBED C=CCNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588658986 WXRKYXDGVQFYBG-JTQLQIEISA-N 389.420 -0.743 30 20 GBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 1588931160 ROSQKODSXHLOCV-GFCCVEGCSA-N 383.416 -0.472 30 20 GBED C[C@@H](CC(=O)N[C@]1(C(=O)O)C[C@H](O)C1)/N=C1/NS(=O)(=O)c2ccccc21 1592262522 VSKXPNLSPNURIH-XQJJYNOISA-N 381.410 -0.402 30 20 GBED O=C(NCC#Cc1ccccc1)C(=O)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 1601446864 RRCFDYVZIRKQLT-FQEVSTJZSA-N 385.420 -0.458 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CCC2OCCO2)C(=O)O)cc1 1602726239 MYLMITVWLJNDFZ-CQSZACIVSA-N 396.421 -0.066 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778480597 NAFNCJZNLHOZQC-GOSISDBHSA-N 383.364 -0.739 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3[nH]nnc3C)[C@H]2C1 1787183723 SHFFCJJRTIFJHV-QPSCCSFWSA-N 375.429 -0.255 30 20 GBED C[C@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788679608 CPKAFYSDTCCJMZ-OFLYOZOCSA-N 390.440 -0.187 30 20 GBED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCO)[C@H]2C1 1789914272 OCTWFEMHTABADW-ULQDDVLXSA-N 384.473 -0.042 30 20 GBED Cn1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1Cl 1791076720 FWXPQZOHQJHNKL-DRZSPHRISA-N 394.815 -0.245 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 1794592339 OXQIOJURQBULSW-YIYPIFLZSA-N 378.433 -0.181 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CO)NC(=O)OC(C)(C)C 1796300180 MLBFBKUMDGNXOK-XFMPKHEZSA-N 381.429 -0.905 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc3ncccn3n2)CC1 1796957240 UWEOSRUYAKVHFM-CLLJXQQHSA-N 381.396 -0.369 30 20 GBED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]2c2cccnc2)CC1 1806848063 RWXKZRVNZPOTDY-ZOBUZTSGSA-N 398.467 -0.016 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CC[C@@H](N)C(N)=O)C3)C2)C1 1829667004 QHINBDJQSUMOFJ-BEFAXECRSA-N 394.472 -0.998 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)C1 1829669890 LVLYMKRLOSPCDH-LJQANCHMSA-N 388.424 -0.194 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)n[nH]4)CCO3)C2)CC1 1835853197 XUCGJKGQDCXMFT-KRWDZBQOSA-N 375.385 -0.511 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1835994044 QEXLDYKREJFPFJ-NRFANRHFSA-N 399.447 -0.282 30 20 GBED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1840294345 DGRZZHQHVFLASP-LJQANCHMSA-N 389.456 -0.072 30 20 GBED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840921806 SKYGQCVMTRAKQC-HNNXBMFYSA-N 390.387 -0.678 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CCN3CCOCC3)CC2)o1 114463763 VPMFLSJGCYCNEL-UHFFFAOYSA-N 376.461 -0.233 30 20 GBED CC/N=C(/NCCNS(C)(=O)=O)N1CCS(=O)(=O)C2(CCCCC2)C1 262806522 SXXJZQIBPXGZSQ-UHFFFAOYSA-N 394.563 -0.066 30 20 GBED Cc1cccc(NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)c1C#N 267475060 SSYJYGGZPSCRPI-UHFFFAOYSA-N 379.442 -0.762 30 20 GBED CC#CCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 276264615 RZAACAYTOPONQS-UHFFFAOYSA-N 383.401 -0.075 30 20 GBED N#Cc1ccc(OCC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 299689757 UGBOQLMZYGDNNM-JKSUJKDBSA-N 379.438 -0.761 30 20 GBED O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)N1CC[C@@H](N/C(O)=N/C2CC2)C1 329523766 QBGHVHUSGNBVDE-FWZIUSJTSA-N 376.413 -0.584 30 20 GBED CCN1C[C@H](C)N(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)C[C@@H]1C 349481338 ZMZLSDWZAUDLPW-KBPBESRZSA-N 380.536 -0.094 30 20 GBED COC1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2nn(C)cc2C#N)C1 349605082 UOPHCEMNEHCTGV-UHFFFAOYSA-N 391.475 -0.526 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN2C(=O)OC[C@@H]2C1 366301369 WTVCSKWQVPPBEQ-YPMHNXCESA-N 378.410 -0.112 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)NCCNS(=O)(=O)Cc1ccon1 409475214 HOMJLHJTDKRTIM-LLVKDONJSA-N 379.464 -0.590 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 451923441 MWSUNWIHXHYREK-JSGCOSHPSA-N 395.551 -0.133 30 20 GBED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C 478851268 HSBWRIDSGYWISM-UHFFFAOYSA-N 389.481 -0.120 30 20 GBED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cccc(C(N)=O)n3)CC2)n1 546902873 ULYCHQCEPNSBTA-UHFFFAOYSA-N 379.380 -0.266 30 20 GBED C=CCNC(=O)CNc1ccc(S(=O)(=O)N(C)C)cc1S(N)(=O)=O 553517246 ZDHKRTQITIPGSZ-UHFFFAOYSA-N 376.460 -0.702 30 20 GBED C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N 568255944 PSWQRCFCZCZQRX-KPWVOAKYSA-N 393.512 -0.124 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[S@@](C)=O)cc1 571581365 MVLQNSOCXIOVKJ-WEVHURDZSA-N 393.512 -0.078 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCOCCO)cc1 577531686 YVNGMLWAACMISJ-LBPRGKRZSA-N 391.471 -0.446 30 20 GBED CN1CCN(C(=O)CCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 581610064 YATKNAOLZLHTFL-UHFFFAOYSA-N 393.469 -0.883 30 20 GBED CN(CC(=O)N1CCOCC1)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 583700129 ISIZXDFXVAKOMQ-UHFFFAOYSA-N 397.395 -0.605 30 20 GBED N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@@H](CO)NC(N)=O)CC3)n[nH]2)cc1 598157155 SECZUWVFIOUEII-OAHLLOKOSA-N 383.412 -0.374 30 20 GBED CC#CC[C@@H](CO)NC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 645287005 OXUBKCVWQJVOLF-HNNXBMFYSA-N 383.470 -0.127 30 20 GBED N#Cc1ccc(S(=O)(=O)NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 744008179 YPFCNEURCCTEFL-GBOPCIDUSA-N 389.389 -0.474 30 20 GBED C[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCS(=O)(=O)C1 762673782 RJWRQTRDBCMVQE-LLVKDONJSA-N 385.467 -0.382 30 20 GBED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cn(C)nc2O)CC1 814223542 WXOYHJPBKSUFMZ-UHFFFAOYSA-N 379.446 -0.097 30 20 GBED C=C[C@@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 814547175 UKWAOEYXLCYJAL-CQSZACIVSA-N 393.421 -0.519 30 20 GBED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(-c3nn[nH]n3)o2)c1=O 821143386 UJVLXOBLHNIQMD-UHFFFAOYSA-N 385.409 -0.658 30 20 GBED CCn1cc(C#N)c(=O)n(Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)c1=O 825799676 QIXONJUBQSZVLR-UHFFFAOYSA-N 381.352 -0.083 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CCC3(C2)OCCO3)CC1 848959337 GIGIXJMAYGTIGY-UHFFFAOYSA-N 379.460 -0.869 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)CC1 931880266 YYUARQBTOJQEIF-SFHVURJKSA-N 382.464 -0.071 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@H](c2cn(C)cn2)C1 993564207 RRDNHMSWVWZRQR-KOZAUXTDSA-N 385.428 -0.146 30 20 GBED Cc1cc(N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c(C#N)cn1 1051462011 JCUQRALIKACPRX-CTASWTNQSA-N 380.412 -0.479 30 20 GBED Cn1cc(-c2n[nH]cc2C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)cn1 1109961719 GFJJGOVNPANKJY-SNPRPXQTSA-N 382.428 -0.215 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnnn1C 1110506634 YYKLMODISCXNHQ-LOWDOPEQSA-N 375.433 -0.450 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CC[C@@H](NC(N)=O)C3)CC2)cc1 1117881075 VZOWHRFJDXIWRN-MRXNPFEDSA-N 384.440 -0.528 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC(=O)NCCC)C[C@H]1O 1196812653 SPAFFYAWFGESDP-NHIYQJMISA-N 382.461 -0.635 30 20 GBED CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)C2(C#N)CCOCC2)CC1 1261743742 KKQVIJDUFICTOK-UHFFFAOYSA-N 378.476 -0.577 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NCc1cccc2c1OCO2 1323434470 NRZIOPOVKCHNNV-PEZBUJJGSA-N 386.364 -0.326 30 20 GBED CS(=O)(=O)C[C@@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1324347699 CRQVOXXCCIWLDG-LLVKDONJSA-N 385.467 -0.382 30 20 GBED COC[C@H](CNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1325697140 NNKLXUFHXKIPQA-STQMWFEESA-N 376.417 -0.837 30 20 GBED Cn1nc(Br)c2c(=O)n(CC(=O)N3CC[C@@](O)(CC#N)C3)cnc21 1327191091 WXCSWHOYPQMXHD-AWEZNQCLSA-N 395.217 -0.230 30 20 GBED CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCc2ccc(C#N)cc2)CC1 1328219999 YYFWMFAAUFIUCU-SFHVURJKSA-N 397.479 -0.018 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@@H]2CC2(Cl)Cl)CC1 1334333267 SVYZYTCNLFJSOG-JTQLQIEISA-N 394.288 -0.544 30 20 GBED CN(CCNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)CC(F)(F)F 1341222355 OAXCIGREWBOBKA-QXMHVHEDSA-N 391.350 -0.761 30 20 GBED C=C(CC)CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1345397042 GTEOTHQOQDZBIT-CQSZACIVSA-N 375.491 -0.032 30 20 GBED C#Cc1cncc(C(=O)N[C@H]2CCC[C@H]2CNCC(=O)NCc2cnn[nH]2)c1 1575032438 CUJVUDWJETWWKQ-YOEHRIQHSA-N 381.440 -0.015 30 20 GBED C[C@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NCc2cnn[nH]2)CC2(CCOCC2)C1 1575176317 FSMUAQMMNLANBW-KGLIPLIRSA-N 389.460 -0.432 30 20 GBED C[C@H](C(=O)NCc1cnn[nH]1)N1CC[C@]2(CCN(C(=O)CSCC#N)C2)C1 1575225014 UQGCMIPDONDTGD-DYVFJYSZSA-N 391.501 -0.009 30 20 GBED C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1575247011 HRTIXBCOLRDXHS-ABAIWWIYSA-N 383.412 -0.046 30 20 GBED N#Cc1cnccc1N1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 1581883561 NZUNZLOTYCXBOC-IUODEOHRSA-N 379.384 -0.169 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCNc1ncccc1-c1nn[nH]n1)[C@@H]1CCCO1 1588327439 JEDUBMLTFOODQX-OLZOCXBDSA-N 384.400 -0.913 30 20 GBED Cc1nn(C)c(N2CCN(S(=O)(=O)N(C)CCC#N)CC2)c1-c1nn[nH]n1 1592443283 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CGZZBWCJNVBZSF-AUUYWEPGSA-N 390.440 -0.535 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783164729 CJULCJZTMDTZNW-GLJUWKHASA-N 380.445 -0.247 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1784847799 XFTJUMPLNKYFTJ-YWTIWPNUSA-N 389.452 -0.433 30 20 GBED CN(C)c1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)o1 1785885921 GZWLKABNORJIJE-AVGNSLFASA-N 390.396 -0.578 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)CC(N)=O)C2 1792562100 PMZHFRYJCQRLNJ-UFSHFBDQSA-N 376.457 -0.006 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN(C)C(C)=O 1793744442 WZLGNLAVAVIPTA-SCNOPHJPSA-N 379.457 -0.517 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1 1800525410 ICJJEVKTIUVBBO-QKDZRIPBSA-N 380.445 -0.487 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O 1801117714 IJYQZQXUTVPVKV-IVWMJMPLSA-N 393.465 -0.580 30 20 GBED C#CC(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1812527083 XENIPMXJFWIJRE-WBMJQRKESA-N 392.379 -0.840 30 20 GBED N#CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC[C@H](N)C(N)=O)CC2 1814492909 KLORINWDTTWOGJ-ZJUUUORDSA-N 378.458 -0.048 30 20 GBED CC(=O)N[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1825229871 YABZOESRDIYNKX-SCZZXKLOSA-N 378.410 -0.332 30 20 GBED CC(C)CNC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831215712 SCFSSKQMBMMYNA-FQEVSTJZSA-N 391.468 -0.372 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833840331 NUJYIWHPSARFGK-DYVFJYSZSA-N 397.501 -0.161 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncon4)C3)C2)c1 1838738206 WZKWOSQZIADVEX-KRWDZBQOSA-N 386.368 -0.347 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1839229106 ZGUMNHGPAIXDNF-BEFAXECRSA-N 396.488 -0.195 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1839807559 GYQDNUCQFQPKDV-LJQANCHMSA-N 387.392 -0.444 30 20 GBED CSCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039834 IPBBAUUFXNGHIC-GOSISDBHSA-N 398.481 -0.080 30 20 GBED COC1(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CCC1 1840618380 DQPCYBJXFIXQDX-IBGZPJMESA-N 394.424 -0.510 30 20 GBED CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815700 GAOSPOMRCFBXOC-AUUYWEPGSA-N 392.456 -0.339 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1841601300 KPVGRSGHLZJNJS-GJZGRUSLSA-N 399.451 -0.163 30 20 GBED O=C(C/N=C/c1ccco1)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841847933 XAQRJOLYKAOGHM-FBCYGCLPSA-N 387.396 -0.546 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843413094 MTYLOORLFAOJGD-HNNXBMFYSA-N 397.497 -0.346 30 20 GBED Cn1c(=O)c2c(ncn2CCC(=O)[C@H](C#N)C(=O)Nc2ccccn2)n(C)c1=O 138938942 XWFQWZBNVZZOLA-NSHDSACASA-N 395.379 -0.434 30 20 GBED CCc1nsc(N2CCN(/C(=N\C)NCCN3C(=O)CNC3=O)CC2)n1 261718127 IBZOERVIPXSBRK-UHFFFAOYSA-N 380.478 -0.650 30 20 GBED CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cc(C#N)ccn2)CC1 268002377 BXAPYJRAQILUJH-UHFFFAOYSA-N 387.487 -0.656 30 20 GBED COC[C@](C)(NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 268853410 GLJFKKZWYJSISE-BZNIZROVSA-N 383.426 -0.081 30 20 GBED COCCN(CC(=O)OC)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 268857915 ZQYGUHRGYLYOGR-GFCCVEGCSA-N 383.426 -0.127 30 20 GBED C#CCNc1nc(N(CCO)CCCOC)nc(N(CCO)CCCOC)n1 286588435 HNXVHBVDBUZJBQ-UHFFFAOYSA-N 396.492 -0.413 30 20 GBED Cc1ccncc1NS(=O)(=O)CCCS(=O)(=O)N1CC(O)(CC#N)C1 349459287 NCUUFSGWSZJURX-UHFFFAOYSA-N 388.471 -0.188 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 349488221 FDRSSIGPWZZUTJ-XDQVBPFNSA-N 379.504 -0.369 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@](F)(C#N)C2)no1 349506706 UVXVDCAXYDEHNC-NSHDSACASA-N 381.411 -0.223 30 20 GBED CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)C(=O)[C@@H]1C 349512930 WCFVAZLHFLMQMP-STQMWFEESA-N 394.519 -0.567 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@H]2C#N)C[C@H]1O 349526878 QLIXZHLGCMAQFX-JHJVBQTASA-N 397.544 -0.710 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCNC(=O)C[C@@H]1C 349607376 ZMEMQEZGEXDEDW-RYUDHWBXSA-N 380.492 -0.862 30 20 GBED C[C@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 378649661 VYCDNGDOPPDRRJ-ADLMAVQZSA-N 387.371 0.478 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CC[C@@H](N3CCNCC3)C2)CC1 423062739 UWEBQKUMDRRLQZ-GOSISDBHSA-N 396.495 -0.287 30 20 GBED C=CCC[C@H](CO)NC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 454063862 WWOVWTRSJDAVOE-CYBMUJFWSA-N 381.454 -0.073 30 20 GBED CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)c(F)c1 511382489 LPALWALQDXBTQQ-UHFFFAOYSA-N 388.406 -0.361 30 20 GBED COCCOCCN1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1 593720432 JHLVIEQATFXYKG-UHFFFAOYSA-N 392.460 -0.149 30 20 GBED CN([C@@H]1CCCc2c1cnn2C)S(=O)(=O)CCCS(=O)(=O)NCC#N 594636302 PKOAATRVIATTPR-CQSZACIVSA-N 389.503 -0.108 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](O)[C@H]2CCCO2)cc1 600764642 TYNKJQPMUSEPRQ-UONOGXRCSA-N 389.455 -0.693 30 20 GBED C=CCNC(=O)Cc1noc(-c2cc(S(=O)(=O)N3CCOCC3)cn2C)n1 770988740 YGASGWMITBKYHK-UHFFFAOYSA-N 395.441 -0.059 30 20 GBED CCOC(=O)CON=C(C(=O)N1CC[C@@H](OC)C[C@H]1C(=O)OC)c1cc[nH]n1 772522859 IDPSJEIXXISZQV-YPMHNXCESA-N 396.400 -0.128 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)OCCN2CCCS2(=O)=O)cc1 773128615 NHLPJDXECIUEQE-UHFFFAOYSA-N 386.451 -0.210 30 20 GBED C=CCS(=O)(=O)CCNC(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 783075310 PGJWUUTXVVMGMS-UHFFFAOYSA-N 391.471 -0.385 30 20 GBED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CCN1C(=O)CCC1=O 816128071 UHUFXAGZQMDJCX-UHFFFAOYSA-N 380.338 -0.190 30 20 GBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 844110676 NGBTUCUFIKEPHU-MNOVXSKESA-N 381.410 -0.893 30 20 GBED C=C(C)CONC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 846150608 KBKPORHDEWBWIY-UHFFFAOYSA-N 396.425 -0.631 30 20 GBED COC(=O)CC1CCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 863103493 BBQJDVBURCANHH-UHFFFAOYSA-N 386.430 -0.528 30 20 GBED C#CCCCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCCOCC 909365169 BDVIYINMKWZRAK-OAHLLOKOSA-N 388.472 -0.192 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CCN2CCN(C(C)C)CC2)CC1 913789058 WBRKTAJUJRRXRI-UHFFFAOYSA-N 385.534 -0.986 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn(CC)n1 960339006 IAROHCJHSJTVQQ-SYAUCNOPSA-N 375.429 -0.059 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 967706694 MHKGPRUTNPAWTI-WCVJEAGWSA-N 391.468 -0.081 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(=O)c(OC)co2)C1 968865085 LWDIWEWYLLRTMJ-IFOZYUSPSA-N 392.408 -0.069 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCS(=O)(=O)N2)c1 1001897236 LCBUGNWNYHDYTH-BYNQJWBRSA-N 377.426 -0.560 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]2O)O1 1083776246 KECKKPYEXSRYND-XDNAFOTISA-N 386.452 -0.145 30 20 GBED Cc1nnc(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1C 1117170561 PABYQUWXSSDPAG-MRXNPFEDSA-N 381.440 -0.024 30 20 GBED CCN(C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCNC1=O 1117923221 RWBYVBWDHGGBIV-KRWDZBQOSA-N 383.452 -0.061 30 20 GBED CN1C(=O)CC[C@@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1=O 1118182291 RGOZEENSQDMGCG-JKSUJKDBSA-N 397.435 -0.513 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1 1257151288 UFELRSBATGJKSY-TZMCWYRMSA-N 394.439 -0.218 30 20 GBED COCCN(C(=O)C(=O)NCc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 1322784844 MBGFMXPAJHFSCP-OAHLLOKOSA-N 379.438 -0.163 30 20 GBED C=C(C)COCCNC(=O)C(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 1323891059 LIWXXMIDUMXPCB-CYBMUJFWSA-N 379.417 -0.063 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCCc1nnc2n1CCCCC2 1325087089 SMNMTZAPLUNIOL-UHFFFAOYSA-N 397.501 -0.230 30 20 GBED C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1325908242 SXNPINXYRSVQOG-CYBMUJFWSA-N 390.444 -0.958 30 20 GBED CCN(C)C(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 1326514199 BXNJWSGZILUELV-NSHDSACASA-N 380.426 -0.095 30 20 GBED CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)n1 1326671517 DRIDULKUOSCPMU-AWEZNQCLSA-N 381.396 -0.020 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCNS(C)(=O)=O 1328649748 KKLZNZXZGXICFZ-UHFFFAOYSA-N 382.442 -0.801 30 20 GBED C=CCNC(=O)Cn1nnnc1N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1334634906 DKAQSJBHJRTRFE-GHMZBOCLSA-N 387.366 -0.178 30 20 GBED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NCCc2ccc(C#N)cc2)CC1 1346896768 VVGJCKRLLAETCN-UHFFFAOYSA-N 393.469 -0.832 30 20 GBED CS(=O)(=O)CCn1cccc(NC(=O)N2CCN(CCC#N)CC2)c1=O 1476358885 XQNGNCYOILQKMI-UHFFFAOYSA-N 381.458 -0.044 30 20 GBED C[C@H](C#N)C(=O)N(CCO)[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573560329 BELPSVOXTPNROK-NEPJUHHUSA-N 386.416 -0.220 30 20 GBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C[C@H]1c1cnn(C)c1 1575004247 BPXOZFSQKVNNPS-KSZLIROESA-N 382.472 -0.280 30 20 GBED C#Cc1cncc(C(=O)NC[C@H]2CCN([C@@H](C)C(=O)NCc3cnn[nH]3)C2)c1 1575032430 CUIQYIHNNYVSOR-DZGCQCFKSA-N 381.440 -0.062 30 20 GBED COCCN(CCNC(=O)c1cc(C#N)c[nH]1)c1cnc(-c2nn[nH]n2)cn1 1579802445 DVFLJMCJFHFEQE-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED C#CCNC(=O)[C@@H](C)N(C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588353286 MYSSKLUWYBBVOX-CHWSQXEVSA-N 384.444 -0.273 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCCn1cc(CO)nn1 1592666294 NPIQDJJOCPTWEX-AWEZNQCLSA-N 381.400 -0.161 30 20 GBED C#CCN(C(=O)c1cnon1)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 1602716344 DGKBKWUERIPNHH-UHFFFAOYSA-N 380.372 -0.216 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC1CC(CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1602721384 HEHMQZMTNUUNRF-RUXDESIVSA-N 381.444 -0.517 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778154709 YYDFWOFQTXPLDV-KXBFYZLASA-N 393.440 -0.303 30 20 GBED CCOC(=O)/C=C/C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782011337 ZUFISOLBVXYMJR-BTGZFJRMSA-N 392.408 -0.292 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(CO)on3)C[C@@H]21 1784485838 RZGHQOTYNXDGLV-HPZZRFSDSA-N 391.424 -0.202 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1 1784580808 MXRJKBHLVCNXRB-QTVXIADOSA-N 396.444 -0.125 30 20 GBED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n[nH]1)C2 1797741062 WRTXJBMIKOCVQN-WKHJEXAOSA-N 390.444 -0.210 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N(C)CC 1800158051 ZFPNPSQVQCKVQP-POKMRBBBSA-N 392.500 -0.225 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)[C@H]1c1cccnc1 1812882310 KOJXRYHPQOUBOX-WTANOLMUSA-N 398.419 -0.298 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1831392579 FQVFMDQHHBVXSE-DYVFJYSZSA-N 398.485 -0.892 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831576756 QCWYQHDAXWMVKC-DEYYWGMASA-N 381.429 -0.237 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832201465 GLFCIIBKDRFIQK-LJQANCHMSA-N 398.423 -0.199 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2 1833830571 FTYWRYBGLMPVAP-KRWDZBQOSA-N 375.385 -0.444 30 20 GBED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1834675885 JLXGHLDOZRQWPW-WFASDCNBSA-N 399.561 -0.531 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1835749966 RJNFKFDOCUGZAX-QMTMVMCOSA-N 396.488 -0.752 30 20 GBED Cc1nn[nH]c1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1836296026 ZBIBGYSKMQXGIX-QGZVFWFLSA-N 376.417 -0.267 30 20 GBED C[C@H](NC=O)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838639257 ARGQZJOLTHMJKP-ZDUSSCGKSA-N 379.413 -0.793 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1840157284 KGJDSEVMMRTBOC-MEDUHNTESA-N 382.442 -0.430 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)CCC1 1840816508 XIDWLBWEAUGWSU-KUHUBIRLSA-N 390.440 -0.727 30 20 GBED N#Cc1ccc(CC(=O)N2CCCC23CN(C(=O)CN2C(=O)CNC2=O)C3)cc1 1841098806 AKYHVYLGWFMTSG-UHFFFAOYSA-N 395.419 -0.144 30 20 GBED CS(=O)(=O)N1CCC(C/N=C(/N)N2CCN(c3ncccn3)CC2)CC1 261611335 FUSAMIGZWLSKOG-UHFFFAOYSA-N 381.506 -0.415 30 20 GBED C=CCN1CCC(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 264472862 JEJZNWRSMZIPDF-CQSZACIVSA-N 382.486 -0.082 30 20 GBED COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN3CCOC[C@H]3C#N)C2=O)c1 266881645 XPFKSRDZCWLPPN-FZKQIMNGSA-N 387.396 -0.282 30 20 GBED C=C[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 290476802 DLNUFVOISKVIKB-HNNXBMFYSA-N 381.454 -0.184 30 20 GBED CN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 298310345 RFLUKQCPGUPQFS-CQSZACIVSA-N 376.438 -0.131 30 20 GBED CN(C)S(=O)(=O)c1cccc(/C(O)=N/CC(=O)N2CCNC(=O)C2(C)C)c1 331030920 ZEAKXYKVLWQOQE-UHFFFAOYSA-N 396.469 -0.022 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O 349465846 YMUGNFCPVGQFNP-AVGNSLFASA-N 392.503 -0.923 30 20 GBED N#CC1(CNS(=O)(=O)CCCS(=O)(=O)N2CCCn3ncnc32)CC1 349567455 GCWSSKTYZOMDMW-UHFFFAOYSA-N 388.475 -0.569 30 20 GBED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 372662045 PJSRTMHVXQPMNQ-UHFFFAOYSA-N 383.368 -0.331 30 20 GBED N#CCNC(=O)CNC(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 377034443 WOWWDLFJOTYGNX-CYBMUJFWSA-N 397.432 -0.082 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)n1 444508569 WXHVYCVAAXWDEA-UHFFFAOYSA-N 378.396 0.351 30 20 GBED CCN1C[C@H](NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1=O 453927555 KRXXISWTKQMDFM-LLVKDONJSA-N 384.371 0.559 30 20 GBED C=CCn1cccc1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 488989794 ZTUXATNRCZVZLG-OAHLLOKOSA-N 394.497 -0.265 30 20 GBED COCCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1=O 508504747 OCWRXHIVZGNFNE-UHFFFAOYSA-N 394.453 -0.504 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(F)cc1C#N 544837324 PSVHYPNAWGFPKB-CYBMUJFWSA-N 399.400 -0.234 30 20 GBED N#Cc1ccc(O[C@H]2CCN(C(=O)Cn3cc(S(N)(=O)=O)cn3)C2)nc1 553242008 DQGDHWXWUHNEKL-LBPRGKRZSA-N 376.398 -0.523 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCNc1ccn(C)n1 567169457 QRKSTDGPZUAILI-GFCCVEGCSA-N 376.442 0.187 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCN(CC#N)CC2)cc1 572766403 UZOCHFSFCSKGKY-UHFFFAOYSA-N 393.469 -0.019 30 20 GBED C=CC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 575430228 UJZSCVDCSRVOCW-CYBMUJFWSA-N 398.466 -0.060 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCCN3CCCC3=O)CC2)cc1 576765933 OCCVRXODWGDYFJ-UHFFFAOYSA-N 383.452 -0.059 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C 581570014 CIROLRHRIOJKFS-STQMWFEESA-N 381.524 -0.427 30 20 GBED CC(C)[C@H](C#N)N1CCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 609486816 SCHDYDAJOSARAD-KRWDZBQOSA-N 378.521 -0.615 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](Cc2ccncc2)C(=O)OCC)C1=O 616132154 ZTUOAWGCJBYWES-CYBMUJFWSA-N 388.380 -0.351 30 20 GBED N#CCc1cccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 619480629 GGBSQKLXJMBJSZ-CVEARBPZSA-N 399.494 -0.471 30 20 GBED C=CCN(C(=O)C(=O)N1CCC(N2C[C@@H](C(=O)O)CC2=O)CC1)[C@H](C)COC 662912925 LHQNJPHWCZCUPS-KGLIPLIRSA-N 395.456 -0.040 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)C2CCN(C)CC2)CC1 672011676 VENXRNLWXXDHFH-OAHLLOKOSA-N 379.505 -0.721 30 20 GBED Cn1c(S)nnc1CCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 729281287 VELGUCOWNBHXFB-UHFFFAOYSA-N 394.482 -0.109 30 20 GBED N#CCn1cc(NC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cn1 746412047 QTFJTZXNQNQUGA-UHFFFAOYSA-N 395.423 -0.190 30 20 GBED C#CCOc1ccc(NC(=O)C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)cc1 782940509 UOECYOFDIIWZJP-AWEZNQCLSA-N 380.422 -0.355 30 20 GBED C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)C(=O)NC1(C#N)CCC1 787741309 WLOVOVVZEASXNY-MNOVXSKESA-N 383.430 -0.419 30 20 GBED O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(O)C1=O 820471055 LWLSGGZZIFSMCS-SYQHCUMBSA-N 396.444 -0.214 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2COCCN2C2CCCC2)CC1 831569132 YDLKVGZZEBQPHD-INIZCTEOSA-N 384.502 -0.758 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 850712145 JDWHDZZEZDYYLH-MRXNPFEDSA-N 378.473 -0.750 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N(CCN2CCOCC2)[C@H]2CCSC2)CCO1 882372131 DCZFBPKEGJMSRC-GJZGRUSLSA-N 390.531 -0.405 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CC1 895617858 WBUJDRXKGREPJH-HOTGVXAUSA-N 383.518 -0.202 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1OC 946819573 DMERCTWUAOGBJD-LVQVYYBASA-N 375.425 -0.068 30 20 GBED C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2C(=O)CNC2=O)c1 1000179424 ZAXOQFMXXNOBSC-ILXRZTDVSA-N 381.392 -0.524 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3ncn(C)c3n2)C[C@H]1O 1025710325 JGDVUOFNRVUDAD-MPESAESLSA-N 385.424 -0.139 30 20 GBED N#Cc1nccc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)n1 1043838201 XOHCZUPHAWMYFF-YUYGLALOSA-N 385.424 -0.184 30 20 GBED Cc1cc(=N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2c2cn(C)cn2)c(C#N)c[nH]1 1052703027 PYIACLGHVDIMQG-LDDOYCOJSA-N 393.451 -0.055 30 20 GBED C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CN(Cc3ccc(OCC#N)cc3)C[C@H]2O)O1 1077222589 SHKZTOMLLQJTAR-UTRMSSBJSA-N 388.468 -0.031 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCn1ccnn1 1109199369 ZSAANYMDUZJPHS-RDBSUJKOSA-N 375.433 -0.599 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCC(=O)N1CCOCC1 1110070211 PHTUCNISDVSCDV-PMPSAXMXSA-N 378.473 -0.351 30 20 GBED C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(CNCC(=O)NCC#N)C2)C1 1112357817 OMFGRTBWGVVGSZ-GJRWTSMGSA-N 375.473 -0.241 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccnc1N1CCOCC1 1116534339 INKZPLVQEVMYJS-UHFFFAOYSA-N 382.442 -0.426 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NCc1cn2ccccc2n1 1321909160 SKMBGTIVIFXAPY-FOCLMDBBSA-N 382.380 -0.407 30 20 GBED CN(C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCNC1=O 1327107267 HAAVBICAYATQPL-HUUCEWRRSA-N 383.408 -0.878 30 20 GBED Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCO[C@@H](C#N)C2)s1 1329541066 JWEJKENGJPAKTH-NSHDSACASA-N 386.455 -0.798 30 20 GBED COC(=O)[C@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1331801035 IRJJXBPPXRBUSF-OWCLPIDISA-N 398.419 -0.157 30 20 GBED C=CCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1C1(O)CCOCC1 1340506171 OOQBDAKONTYYFR-UHFFFAOYSA-N 378.477 -0.328 30 20 GBED CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1465012720 PCVNSQZKKRDYDJ-JQWIXIFHSA-N 379.442 -0.117 30 20 GBED CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1516811986 IOJFZODLYCAADW-ZDUSSCGKSA-N 396.473 -0.436 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCC[C@@H]2CS(N)(=O)=O)CC1 1560072552 NWXDURMACKTRBT-CVEARBPZSA-N 385.534 -0.178 30 20 GBED C[C@H](C#N)C(=O)N1CCN([C@H]2CCN(c3nccnc3-c3nn[nH]n3)C2)CC1 1573569841 GFZXPTIFCQMKQU-OLZOCXBDSA-N 382.432 -0.461 30 20 GBED C#CCN(CCOC)c1nnc([C@@H]2CCCN2)n1C[C@@]1(O)CCS(=O)(=O)C1 1574666763 HSDASGZJLRECAE-YOEHRIQHSA-N 397.501 -0.662 30 20 GBED CCc1nc(-c2nn[nH]n2)cc(N2CCN(CCNC(=O)[C@@H](C)C#N)CC2)n1 1578594136 VICRIJNNOONAKD-LBPRGKRZSA-N 384.448 -0.383 30 20 GBED C#CCN1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)C3)[C@@H]2C1 1588353076 FUKGPUUQJRMLLR-DFBGVHRSSA-N 396.411 -0.453 30 20 GBED C=CCCOCC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588616478 GZCCQFMOASLPOK-KRWDZBQOSA-N 389.416 -0.519 30 20 GBED C=CCn1cc(C(=O)N2CC[C@H]3CN(c4cncc(-c5nn[nH]n5)n4)C[C@H]32)nn1 1588713914 YXOJFLCDEDSODW-SMDDNHRTSA-N 393.415 -0.215 30 20 GBED CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1591470888 QJHAMMSWJSZDAM-VXGBXAGGSA-N 380.372 -0.510 30 20 GBED COc1cc(-c2nn[nH]n2)ccc1NC(=O)C(=O)NC1CCN(CC#N)CC1 1591488999 HGIURDQOXWJFAP-UHFFFAOYSA-N 384.400 -0.082 30 20 GBED Cc1nsc(N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c1C#N 1592476877 IIKLDABCDGXWEB-NEPJUHHUSA-N 385.413 -0.189 30 20 GBED C#Cc1ccc(C(=O)NC[C@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cn1 1602737173 MLFQEIDDZWKSNZ-GOSISDBHSA-N 391.395 -0.596 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)O)c1=O 1605915530 RCCFFGZIVKGMOP-HNNXBMFYSA-N 382.376 -0.060 30 20 GBED CC(=O)N(CC(=O)O)C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cn2)CCO1 1776202578 CTGQPZMIXGZGPC-CYBMUJFWSA-N 382.398 -0.724 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779107467 VIPJLQGERGDPGM-FHIITYSISA-N 393.396 -0.567 30 20 GBED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C[C@@H](NC)C(=O)O)C[C@@H]32)C1 1783461266 GYSJIFVLIRZPIV-HNKHHVNMSA-N 379.457 -0.005 30 20 GBED CC(C)N1CCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567941 JVJOCNKUKVCXTP-HNAYVOBHSA-N 377.441 -0.223 30 20 GBED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1784370374 VSNSSJSEBKOIOB-QAPCUYQASA-N 388.428 -0.800 30 20 GBED NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788603794 UISODLFIJMHWLX-ONAMVWNYSA-N 393.488 -0.297 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=S)NCC)C2 1793346410 PVKPOMYADPNFMW-AYDFFVQHSA-N 396.513 -0.902 30 20 GBED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O 1793835087 BNWGRSHTDFPVAA-ZSBFGKGUSA-N 390.440 -0.679 30 20 GBED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cnnn2)c1 1795859705 NPLKZUILSZIVJD-FVCICTRLSA-N 399.386 -0.413 30 20 GBED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCNC1=N)C2 1800108636 ZZFRWZQJAFWBGJ-QDMKHBRRSA-N 391.472 -0.026 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(F)cc1)C2 1800776022 QZNMIGAQSVSLNI-DBWKPXFBSA-N 390.367 -0.118 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1 1801435245 PAEQZSZRPNKJKA-QKGCVVFFSA-N 378.433 -0.585 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1831425480 UWCTWPSJZISMTK-SCLBCKFNSA-N 394.428 -0.224 30 20 GBED CCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1834982255 CMBGXLYAUJLDPN-IBGZPJMESA-N 396.488 -0.239 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)CC1 1835343048 YLKSBWYALXHVRP-QGZVFWFLSA-N 395.485 -0.237 30 20 GBED CC[C@@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1835913149 UYRACLRITRHMQR-DNVCBOLYSA-N 389.456 -0.046 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837794485 UXZLWZRLZYNKIU-HNNXBMFYSA-N 378.345 -0.698 30 20 GBED CC[C@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838736031 FQSWLFCLUACKFL-KXBFYZLASA-N 389.456 -0.046 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)F)C2)C1 1840041532 SJZZHZODWUJLID-CQSZACIVSA-N 378.303 -0.517 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCCC23CN(C(=O)c2nccnc2C(N)=O)C3)c1 1844796125 LDPPNJLDEBRZIA-UHFFFAOYSA-N 379.380 -0.094 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)c1 25022165 OVOXVLRGFQYBAO-AWEZNQCLSA-N 395.437 -0.345 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c[nH]c(C(=O)OC)c2)CC1 267058931 PDSUQAUUQTVVQV-UHFFFAOYSA-N 382.442 -0.753 30 20 GBED C#CCNc1nc(N[C@@H](C)C(=O)NCCF)nc(N[C@@H](C)C(=O)NCCF)n1 286415868 KTYCRODBGKSTHG-QWRGUYRKSA-N 398.418 -0.311 30 20 GBED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 293435472 REVSCYMMUVFWGB-UHFFFAOYSA-N 388.424 -0.401 30 20 GBED CCN(CC(=O)NCc1cccs1)C(=O)Cn1c(=O)c(C#N)cn(C)c1=O 294439391 QSGDTRRMIZZDMG-UHFFFAOYSA-N 389.437 -0.355 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CC[C@]2(CCN(C)C2)C1 349606344 WZCWERCXTTYQCK-GJZGRUSLSA-N 392.547 -0.045 30 20 GBED CNC(=O)[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCO1 364675811 MLGWKFBJKMXMHM-CABCVRRESA-N 391.497 -0.096 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 410133583 ITKMWMIHLTXWQS-STQMWFEESA-N 382.508 -0.599 30 20 GBED COC(=O)CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cc(C#N)ccc1OC 419836324 VSRGRUFHLDPQKS-CYBMUJFWSA-N 388.380 -0.214 30 20 GBED N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CS(=O)(=O)CCO3)CC2)nc1 509897234 FRPMYAHHYWNHMC-AWEZNQCLSA-N 379.442 -0.402 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CS(=O)(=O)CCO2)c1 535070272 WGVKPTNCZXXBSP-ZDUSSCGKSA-N 388.467 -0.306 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCN(C4CC4)C3)CC2)c1C#N 552176687 NVAYNODKXRSGJC-AWEZNQCLSA-N 385.472 -0.398 30 20 GBED C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN(C)C 565607422 INDDCVIVHDDMFM-STQMWFEESA-N 395.485 -0.592 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N(CCO)CC(F)F)cc1 570941783 KYDCCCDIBBGXOG-UHFFFAOYSA-N 383.398 -0.263 30 20 GBED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[C@H]2C(N)=O)c1 582191994 UAQVESJELFCUOW-OLZOCXBDSA-N 386.455 -0.579 30 20 GBED CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)C(=O)O 594537811 HZUQBYXHNWUKOL-OLZOCXBDSA-N 388.428 -0.142 30 20 GBED Cc1nc(=NS(=O)(=O)c2cccc(S(=O)(=O)N[C@@H](C)CC#N)c2)n(C)[nH]1 594632632 LENNKPABRUBVJP-JTQLQIEISA-N 398.470 -0.073 30 20 GBED CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)CCO1 595171382 DLUFVBXWEIFBMH-ZDUSSCGKSA-N 391.453 -0.758 30 20 GBED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN(S(C)(=O)=O)CC2)C1=O 725769346 TXSULELUZYCFNA-KRWDZBQOSA-N 391.453 -0.140 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1 729256643 DDBCFVMAWFUIKQ-UHFFFAOYSA-N 392.481 -0.045 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(C(=O)OCC)CC2)c1=O 748294553 MHKUILCORCBJQC-UHFFFAOYSA-N 393.444 -0.335 30 20 GBED C#CCN1CCN(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)CC1 748651834 SGXIEINVKKSMSM-HXUWFJFHSA-N 382.420 -0.006 30 20 GBED COc1cccc(OC)c1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 755803836 JJUBFNKNKWBZKA-UHFFFAOYSA-N 382.398 -0.586 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC(=O)N2CCOCC2)C1 758664169 XZHSSDIHPQHRPO-QWHCGFSZSA-N 381.433 -0.097 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)NCCc2ccccc2)CC1 761023225 FOWMZMHPMCYUDR-INIZCTEOSA-N 378.498 -0.181 30 20 GBED CCNC(=O)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 771592196 CIHHUTCPRSBQGP-UHFFFAOYSA-N 393.469 -0.011 30 20 GBED CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(F)cc1OCC#N 784968218 CJBNEIJJOGSMBV-AWEZNQCLSA-N 394.403 -0.182 30 20 GBED CN1CCN(c2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc2Cl)CC1 807402493 HQAUWXGBIZTLSP-UHFFFAOYSA-N 392.847 -0.214 30 20 GBED C[C@H]1CN(C(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 808442966 PGECJSPZUOZESD-LBPRGKRZSA-N 381.410 -0.373 30 20 GBED C=CCC1(S(=O)(=O)NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 810984941 QNAOXUMFTAKVCN-UHFFFAOYSA-N 395.441 -0.622 30 20 GBED C#CC[C@H](CO)NC(=O)CSc1n[nH]c2nc(=NCC)nc(NCC)n12 820059676 KPUAWTILRGMICQ-SNVBAGLBSA-N 378.462 -0.603 30 20 GBED N#C[C@H]1CNC[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 834493583 FMNPWOXRVKJROY-NHYWBVRUSA-N 382.417 -0.312 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2c(O)nnc2O)nc1 1004818454 FNJRKDHTNZHFIT-BNOWGMLFSA-N 382.380 -0.373 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CN2C(=O)CNC2=O)C1 1008402608 FVEXJKSGXPLUBZ-LJPSSGMGSA-N 390.440 -0.373 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)Nc2nnc(C)s2)C[C@H]1O 1077694194 IIGCCWRMVMJOLW-LPWJVIDDSA-N 381.458 -0.463 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 1109150681 AWHNTABNRZWLCX-CRWXNKLISA-N 377.445 -0.754 30 20 GBED C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1117550131 RUNISBJJISVTJG-CPUCHLNUSA-N 397.483 -0.016 30 20 GBED N#CC1CCN(C(=O)C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CC1 1119515141 POOCBGHNYYXPRC-KRWDZBQOSA-N 377.489 -0.339 30 20 GBED C#CCNC(=O)CN1CCN(c2nnnn2[C@@H]2CCOc3ccccc32)CC1 1119657417 LIVGLCMOWQAFDQ-MRXNPFEDSA-N 381.440 -0.084 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 1120425312 HUSGSIDDFGGAMO-HNNXBMFYSA-N 392.500 -0.273 30 20 GBED NC[C@]12CCC[C@H]1CN(C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C2 1261523194 QCCQLKMOTDHIKY-ZVAQWUQYSA-N 375.429 -0.784 30 20 GBED N#CCN1CCC(CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 1319071683 QSOJKGQGLLYNBF-UHFFFAOYSA-N 378.454 -0.089 30 20 GBED CS(=O)(=O)CCOCCNC(=O)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 1325078125 OTWUYXVASFKMPX-OAHLLOKOSA-N 379.438 -0.161 30 20 GBED Cn1cc(N2CCN(C(=O)C(=O)NCc3ccc(C#N)c(F)c3)CC2=O)cn1 1326390835 KEESMPUNVATDTJ-UHFFFAOYSA-N 384.371 -0.078 30 20 GBED C#CCN(C(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1)C1CCCCC1 1329386841 RNIPXNJJDMJAMF-UHFFFAOYSA-N 384.502 -0.269 30 20 GBED C#Cc1cccc(CNC(=O)C(=O)N2CCCN(C(=O)CNC(C)=O)CC2)c1 1330776232 FGBZYAWCJNPTJX-UHFFFAOYSA-N 384.436 -0.519 30 20 GBED C=CCn1c(CN2CCC(C(N)=O)CC2)nnc1N1CCN2CCOC[C@H]2C1 1339880965 ZXFYYKAFWXAGGV-MRXNPFEDSA-N 389.504 -0.318 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC([C@@H](O)C(=O)OC)CC2)CC1 1341899385 QQLCXHGHLWCICA-MRXNPFEDSA-N 381.473 -0.084 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@@H]1CCn2ccnc2C1 1343151797 YXVCFRWRVGCMJJ-UONOGXRCSA-N 394.439 -0.287 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@@H]1CCn2ccnc2C1 1343151798 YXVCFRWRVGCMJJ-ZIAGYGMSSA-N 394.439 -0.287 30 20 GBED C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1573575547 YWOFTRKKXQDIIQ-LLVKDONJSA-N 385.432 -0.335 30 20 GBED N#Cc1ncc(N2CCN(C(=O)c3ccc(O)nc3)CC2)nc1-c1nn[nH]n1 1581882162 NGVAAOAYMAXNSJ-UHFFFAOYSA-N 378.356 -0.409 30 20 GBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1O 1588362661 ONRGAGOABKINRY-CVEARBPZSA-N 388.403 -0.293 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(c3nc(C)ccc3-c3nn[nH]n3)C[C@@H]2O)c1 1588379184 ASWKTPPDSHDVJU-CVEARBPZSA-N 390.407 -0.074 30 20 GBED C=CCC[C@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1588578055 UWBRPFKDSHFFPZ-WCQYABFASA-N 394.457 -0.023 30 20 GBED CNC(=O)NC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)O)CCO1 1598653021 IXPDLJUKAHXPTB-LLVKDONJSA-N 382.398 -0.425 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3nc(C)ccc3-c3nn[nH]n3)C[C@@H]2O)cn1 1602739180 ADVPBFWBJVCDKL-CVEARBPZSA-N 390.407 -0.074 30 20 GBED C=CCCOCC(=O)NC1(CO)CCN(c2nccnc2-c2nn[nH]n2)CC1 1602844015 FRMGTUYXRBGVOG-UHFFFAOYSA-N 388.432 -0.303 30 20 GBED COC(=O)c1ccc(C(=O)O)c(S(=O)(=O)N2CCN(C(=O)CC#N)CC2)c1 1606580077 WGRNEGBIIUXQBK-UHFFFAOYSA-N 395.393 -0.082 30 20 GBED Cc1nn(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(=O)c(C#N)c1C 1656180351 XBUZXLVRAKVNHM-CQSZACIVSA-N 393.469 -0.937 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2cccc(F)c2C(=O)O)c(=O)n(C)c1=O 1776052103 HZKXJSNYXQEBJF-UHFFFAOYSA-N 384.345 -0.766 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778940903 YSZPOMIGPUQQTG-YVEFUNNKSA-N 379.417 -0.507 30 20 GBED CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1779041735 IOWBUZQILCXFPP-SFHVURJKSA-N 393.513 -0.006 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)cc1 1780696424 WANKHDJWZYZGNZ-SFHVURJKSA-N 381.396 -0.312 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC=O)C2)C1 1781253034 VNDOIXSBRNOXQJ-KSSFIOAISA-N 381.429 -0.540 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783982373 QEDZIWXFWJDWRB-RNCFNFMXSA-N 383.392 -0.187 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cnnn3)[C@H]2C1 1791682900 PEWGEDHZOUKUEY-QRJUGERDSA-N 392.460 -0.195 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnc[nH]1)C2 1792488581 IXPLLEKWTAIUHJ-CNWIRUGESA-N 387.440 -0.600 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1C(=O)C=CC1=O 1793851083 YBTFRIMINUVNNP-LVQVYYBASA-N 387.436 -0.022 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@@H](N)C(N)=O 1796085873 RZRXIACBQMNOAT-LXTVHRRPSA-N 394.472 -0.273 30 20 GBED CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1796324944 JWUJYXHEKZEQAS-CRWXNKLISA-N 377.445 -0.283 30 20 GBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCNC2=O 1797325568 VNOILZASMVXZHP-FVCICTRLSA-N 387.440 -0.204 30 20 GBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(=O)C(F)(F)F 1797656474 WLARQNSHMBTRBS-CKEKPRIKSA-N 384.376 0.000 30 20 GBED CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1800182349 DQHVUDIFSJZWPB-DABQJJPHSA-N 379.486 -0.636 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3N1)C2 1800778864 IOVMFQVQSDIHIZ-MVWRLGRASA-N 383.404 -0.299 30 20 GBED N#CCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819881032 RAMTXHDXBPSNEJ-BMIGLBTASA-N 379.442 -0.381 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831013936 ZWZYHTJSPUDEGH-GOSISDBHSA-N 394.428 -0.555 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1 1833220630 PJSKMWKHOSXFPX-UHFFFAOYSA-N 395.504 -0.849 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1835117771 XAORVFDROLVTFZ-KBXCAEBGSA-N 397.497 -0.359 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1839224745 XTJJEEORBJGMGS-KSSFIOAISA-N 398.460 -0.668 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1839840303 CUANWZXHKFUHJJ-ZRGWGRIASA-N 396.488 -0.752 30 20 GBED CSCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840164493 LSGVDHUXVRAEJX-HEHGZKQESA-N 392.543 -0.125 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)CC1 1840447031 UKHMEALZRDLYSH-SFHVURJKSA-N 388.428 -0.572 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1840841526 GCGDILNSEKXFRT-HXUWFJFHSA-N 393.484 -0.422 30 20 GBED C=C1CC(C(=O)N2CCCC23CN(C(=O)CN2CCS(=O)(=O)CC2)C3)C1 1841017812 LTYBENTVGCNHAW-UHFFFAOYSA-N 381.498 -0.114 30 20 GBED N#Cc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CC[C@H](N)C(N)=O)cc1 1847308650 PTBADUFDABZBMG-ULQDDVLXSA-N 383.452 -0.105 30 20 GBED Cn1ncc2c(N3CCN(C(=O)Cn4cccc(C#N)c4=O)CC3)ncnc21 119028253 ZHROXOUZIZPAAO-UHFFFAOYSA-N 378.396 -0.255 30 20 GBED CN1CCN(C(=O)C2CCN(/C(O)=N/CCN3CCN=C(O)C3)CC2)CC1 329286916 HBVDJRRIJBGAMV-UHFFFAOYSA-N 380.493 -0.342 30 20 GBED Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)/C(O)=N/CC(=O)N2CCOCC2)o1 329976862 FRAYQNVDJJELHW-STQMWFEESA-N 384.412 -0.001 30 20 GBED C[C@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 349480829 NJSCQQQEZJAHSP-RYUDHWBXSA-N 385.533 -0.710 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC(=O)[C@H]2c2ccccc2F)C1=O 368431728 GGDSYVLQYUZVSA-CQSZACIVSA-N 388.355 -0.198 30 20 GBED COC(=O)[C@H]1C[C@@H](OC)CN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 369380872 CBWNKZMDYLPOLN-UKRRQHHQSA-N 391.428 -0.234 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 410141691 MXPFSUGTPOWEMD-OAHLLOKOSA-N 389.522 -0.374 30 20 GBED COc1cc(C#N)ccc1S(=O)(=O)N1Cc2nnc(O)n2C[C@@H]1C(=O)O 424392744 QDLCHOYNNZSFRL-SECBINFHSA-N 379.354 -0.478 30 20 GBED COC(=O)Cn1cc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1 462180804 ILXQKTLOIDWTBC-UHFFFAOYSA-N 390.425 -0.166 30 20 GBED CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 462617693 PEWYJTXWOUYNID-UHFFFAOYSA-N 377.448 -0.788 30 20 GBED N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cn(CC(N)=O)nn2)cc1 463630569 SQRAXXRTIAMFEO-ZDUSSCGKSA-N 385.409 -0.211 30 20 GBED COC(=O)COc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c(C)c1 508351564 WQHQJKCBFMQBCY-UHFFFAOYSA-N 386.368 -0.235 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 559866130 JWQFUHNLSXMISP-QGZVFWFLSA-N 393.517 -0.192 30 20 GBED COC[C@@](C)(CC(=O)OC)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 578751440 MTZOLOUDJSVUJS-MRXNPFEDSA-N 383.426 -0.079 30 20 GBED CCc1ccc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cc1S(N)(=O)=O 592301626 MFXNHNDUFFHDJT-MRXNPFEDSA-N 380.426 -0.288 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCOC2)s1 594637597 AZMWTLRNUGEODT-JTQLQIEISA-N 394.500 0.102 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(c2cnccc2C#N)CC1 596749333 QSGZEFFLGYGDCB-ZFWWWQNUSA-N 379.442 -0.403 30 20 GBED N#Cc1cccc(NC(=O)CN2C(=O)N[C@H](CC(=O)N3CCOCC3)C2=O)c1 603561829 HUNZIQIABILJMO-CQSZACIVSA-N 385.380 -0.334 30 20 GBED N#C[C@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)N2CC[C@](F)(C#N)C2)C1 619681697 GZOFTOPDRYEDHV-BETUJISGSA-N 396.441 -0.089 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCN2CCOCC2)CC2CC2)C1=O 619888534 IGJJDSCJVMLTSU-UHFFFAOYSA-N 378.429 -0.466 30 20 GBED CCN(C[C@H](C)C#N)C(=O)COC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 727006662 GCPBQGIPWXWUIZ-LLVKDONJSA-N 385.446 -0.442 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 741140166 AOSRXOKQIZKNKS-JOCHJYFZSA-N 398.507 -0.093 30 20 GBED COc1nc(Cl)c(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)s1 755805412 UUSUKGGLGCYOSX-UHFFFAOYSA-N 393.834 -0.485 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 800109631 ZWPAFGIDPRARQE-YNEHKIRRSA-N 385.446 -0.196 30 20 GBED C=CCS(=O)(=O)CCNC(=O)CNS(=O)(=O)c1c(F)cccc1F 810995759 PDXHQWLMEBXYTK-UHFFFAOYSA-N 382.410 -0.040 30 20 GBED C#CCN1CCN(C(=O)CN2CCN(c3ncccc3-c3nn[nH]n3)CC2)CC1 819702381 YSWMGGCFOUFNGU-UHFFFAOYSA-N 395.471 -0.839 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](O)C[C@@H](C(=O)OC)C2)c1 844109769 HUSBFEHPIWJWGO-KGLIPLIRSA-N 380.422 -0.406 30 20 GBED C=CCSCCNC(=O)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 897561060 XFFXWAIQKALSJA-INIZCTEOSA-N 384.546 -0.065 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CN2CCC[C@H](C(=O)OCC)C2)CC1 900585288 LSLPUPACLYCLHF-KRWDZBQOSA-N 392.500 -0.455 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 906732411 VGKKWISVKVYNPN-ZOBUZTSGSA-N 399.513 -0.585 30 20 GBED N#Cc1ccc(NCCNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)nc1 914860636 CZKZNWINXFRVKW-KGLIPLIRSA-N 391.453 -0.483 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@@H]1O 964504170 RKNCKNGZNWIRRX-KRXQYRFLSA-N 379.457 -0.332 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1c(O)nnc1O 1004818587 GSGDSXSHTIHLNC-JYKNGBAOSA-N 391.428 -0.081 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 1022344608 IVTBNDBEOGHZFF-GGXPGOJBSA-N 390.484 -0.541 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1O 1023942678 JUVOHXQSAQSATN-HWMZRRJGSA-N 377.445 -0.583 30 20 GBED Cc1nsc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)c1C#N 1044537736 DCJPDUHLABVUOO-RQJABVFESA-N 393.469 -0.375 30 20 GBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C(F)(F)F 1112121259 DFBREUOHEIAFFI-AAVRWANBSA-N 392.422 -0.013 30 20 GBED C[C@@]1(C#N)CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)C1 1117565551 SUNXAEWJLFNEFV-INIZCTEOSA-N 379.442 -0.372 30 20 GBED CC(C)N1CCN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 1117970573 YYSLZVYVBTUSFO-OAHLLOKOSA-N 385.472 -0.062 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1n1ccnn1 1129312897 QMBFQXINGDYJPA-YVSFHVDLSA-N 379.461 -0.390 30 20 GBED CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NCC#N)C1 1129941053 HNLKVZHQWCGYCD-KBXIAJHMSA-N 375.433 -0.926 30 20 GBED Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@H]2NCC(=O)NCC#N)c1 1130680598 YWHQWMHMLWQESW-WDTWZTHCSA-N 386.456 -0.489 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 1220391662 NNGGGIKJCUNVTJ-JJXSEGSLSA-N 387.440 -0.642 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CCO1 1261306140 RNZWZJYELKHHAW-MRXNPFEDSA-N 385.424 -0.480 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1)[C@H]1CCCO1 1323379346 UYXRRARAYBXNPC-HZPDHXFCSA-N 393.465 -0.481 30 20 GBED CC(C)OC[C@H](CO)N(C)C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1325456836 BYUXGAPJRUCUIL-INIZCTEOSA-N 389.456 -0.154 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCC(O)(CO)CC2)CCN1Cc1ccccc1 1329663117 HXXRWRXMJMONNI-KRWDZBQOSA-N 386.452 -0.431 30 20 GBED Cc1cc(CN2CCCN(C(=O)C(=O)N3CC[C@](O)(CC#N)C3)CC2)no1 1349337752 ZJFWULSZCZTLGV-GOSISDBHSA-N 375.429 -0.106 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)CCN1C1CC1 1351768560 OLAPZLXMRJDEDR-INIZCTEOSA-N 396.451 -0.435 30 20 GBED N#Cc1c(Br)cccc1OCC(=O)N1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1 1557691825 YSSMPPDEIXFGPJ-AOOOYVTPSA-N 395.213 -0.255 30 20 GBED C#CCNC(=O)c1ccccc1NC(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O 1573285507 IMNPKHDUTOVITC-UHFFFAOYSA-N 394.351 -0.869 30 20 GBED C[C@H](C#N)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCO2)C1 1573567709 RGELGSZSHRMEGF-PIGZYNQJSA-N 384.400 -0.202 30 20 GBED C[C@@H](C#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 1573571155 ZSTTVUBGDPNHNT-GTNSWQLSSA-N 384.400 -0.202 30 20 GBED C[C@@H]1CN(C(=O)c2ccc(-c3cnn[nH]3)cn2)C[C@H]1CNCC(=O)NCC#N 1577162414 RGGSAHWEKDXUKB-TZMCWYRMSA-N 382.428 -0.196 30 20 GBED Cc1cc(-c2nn[nH]n2)c(O)nc1C(=O)N(CCC#N)CCN1CCOCC1 1580597277 GPMKMEXZUSTCOX-UHFFFAOYSA-N 386.416 -0.036 30 20 GBED C=CCOC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)O 1588850961 MCNQALGJEFGJSY-BXUZGUMPSA-N 381.410 -0.003 30 20 GBED COCC#CCN1CC2(CC[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)O2)C1 1591360530 DZTWQDOOMZQULQ-CQSZACIVSA-N 385.428 -0.192 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)nc1 1602739397 IAWDROZPGIIVBK-CYBMUJFWSA-N 391.395 -0.332 30 20 GBED CC(C)(CNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1)NS(C)(=O)=O 1609083465 GDBYOSGQECFUIZ-CYBMUJFWSA-N 391.457 -0.007 30 20 GBED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(N)=O)C1 1722543548 QSYOJOAUDJQPTH-UWVGGRQHSA-N 376.870 -0.048 30 20 GBED C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CC(=O)N1CCOCC1 1723778225 NUBXNDMTHUFGPD-AWEZNQCLSA-N 389.460 -0.002 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCCc2nc(C)no2)C[C@@H]1O 1757212340 CPEAPPISAINNNF-KBXIAJHMSA-N 378.429 -0.020 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779086957 GRWQYDFJVVUKKC-SZVBFZGTSA-N 397.472 -0.942 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2 1783564786 MNZPLJQCHSTHAQ-FHIITYSISA-N 393.396 -0.567 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(S(C)(=O)=O)c3)[C@H]2C1 1785589491 SHASHERNBKUCME-RCBQFDQVSA-N 391.449 -0.288 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787092502 XZDSVLGJYNTMEL-AJNGGQMLSA-N 393.448 -0.546 30 20 GBED CN[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1)C(=O)O 1795275747 QSEJDKCRMZKJQQ-AXVVYFOYSA-N 399.447 -0.310 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2 1795598483 HZINKPURMNXTIQ-MIFYACCESA-N 389.460 -0.850 30 20 GBED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OCC 1797589280 IIALLLFDXMLUEZ-CXHZTBPHSA-N 395.456 -0.166 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C2 1799306823 OFLPZCMOOUJLBK-FAYQHZLMSA-N 395.456 -0.390 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccccc3n1)C2 1800778263 JZGNLJXLQKLYGZ-DBWKPXFBSA-N 394.387 -0.079 30 20 GBED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=S)NC)C2 1800995443 IAQSRVZSPPTDHC-XOIINTDNSA-N 380.514 -0.137 30 20 GBED N#CCC(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1806281269 ZEQMCGGFMNKWII-CXAGYDPISA-N 384.396 -0.447 30 20 GBED CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1829753102 NEEWZFBSNPDGOK-MRXNPFEDSA-N 394.457 -0.046 30 20 GBED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1831182537 KLIDBWIWVNGWBM-LIRRHRJNSA-N 392.456 -0.339 30 20 GBED C[C@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1833195886 KXSRDNGLYRPUCK-QAPCUYQASA-N 375.429 -0.111 30 20 GBED Cc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)c1F 1833703286 FFEZEAPMODTVJK-KRWDZBQOSA-N 379.392 -0.149 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)CC1 1835342804 QVAWCRIAHHPNMZ-FZKQIMNGSA-N 376.413 -0.975 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1835353963 IOVYKWRUXFSIKO-GOSISDBHSA-N 380.445 -0.921 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839808648 WNCPFNSPUNELAD-FCGSJESLSA-N 379.413 -0.395 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840360290 XTJYOMVMGBPXTI-BBRMVZONSA-N 383.474 -0.557 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CSC(=N)N)C3)C2)CCC1 1840812815 MYRCMKIMVXNUDZ-KRWDZBQOSA-N 395.485 -0.237 30 20 GBED N#Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)C[C@@H]3NC(=O)NC3=O)C2)cc1 1841957964 OXNYAJGUVKQWPT-HNNXBMFYSA-N 395.419 -0.098 30 20 GBED C=C(C)CN(CC)C(=O)COC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 26005100 GSETYIIKEAXGRA-UHFFFAOYSA-N 391.428 -0.208 30 20 GBED CCn1cc(/C=c2/s/c(=C(\C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)cn1 264934749 QJNSJSJJQFLWMN-FLRNMSLCSA-N 387.465 -0.539 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCCN1CCOCC1(C)C)c1cc[nH]n1 278048401 SSGPQZYATMLEDJ-RCCKNPSSSA-N 381.433 -0.080 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCC[C@H](CNC(N)=O)C1)c1cc[nH]n1 278106582 KRKVDNMISZBSMZ-PZWTZLACSA-N 380.405 -0.400 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCCS(=O)(=O)NC(C)C)c1cc[nH]n1 278148035 OEXNPFBXWDFLPV-QGOAFFKASA-N 389.434 -0.863 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)CC1 298494471 FKTIBHVVYRDVLO-CQSZACIVSA-N 390.400 -0.452 30 20 GBED C[C@H](/C(O)=N/[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)N1CCSCC1 328895475 BJVGYELOFODGHK-MGPQQGTHSA-N 377.532 -0.122 30 20 GBED C[C@H]1CN[C@H](C)CN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 418967829 SPCPNIFYJSLFKX-JKIFEVAISA-N 383.452 -0.016 30 20 GBED N#Cc1ccc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)cc1F 424488198 LXBKKFAXSIVFGN-GFCCVEGCSA-N 383.357 -0.976 30 20 GBED Cc1ccc(C(=O)NCC2(O)CCN(C)CC2)cc1S(=O)(=O)NCC#N 474983696 FHXIOZHCIDCQCJ-UHFFFAOYSA-N 380.470 -0.017 30 20 GBED N#Cc1ncn(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 495003171 HAQKHQUXELWQTH-AWEZNQCLSA-N 397.443 -0.438 30 20 GBED COC(=O)[C@H](O)C1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 539239719 JQDZNERNZYCJSL-FUHWJXTLSA-N 380.489 -0.075 30 20 GBED COCCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1 566486107 BPRXIGOVXVEGNZ-LBPRGKRZSA-N 391.471 -0.494 30 20 GBED COC[C@H](O)CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 574886871 NXZADJWJFGXDOQ-LLVKDONJSA-N 377.788 0.459 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](C)N(C)C3CC3)CC2)c1C#N 583280116 GMJXFKKRQFIUKL-ZDUSSCGKSA-N 387.488 -0.152 30 20 GBED Cc1ccc(C(=O)NCC(=O)Nc2ccn(C)n2)cc1S(=O)(=O)NCC#N 597571403 IDQZRQTUBCXIBJ-UHFFFAOYSA-N 390.425 -0.101 30 20 GBED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 609128637 GBKRMSZJRYQKBT-INIZCTEOSA-N 384.440 -0.271 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 646950605 BOPUGISUROYSMY-ZDUSSCGKSA-N 394.453 -0.305 30 20 GBED C=C(C)Cn1c(-c2cc[nH]n2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 669337714 RDJIAIKHKOMIIX-UHFFFAOYSA-N 383.420 -0.420 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 746215206 JRHFONGPNSNMRF-UHFFFAOYSA-N 376.501 -0.085 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N1CCNC1=O 767625600 BNMCTPLOXWRNSM-JTQLQIEISA-N 380.382 -0.680 30 20 GBED CCOC(=O)CON=C(C(=O)NCc1ccnc(N(C)C)n1)c1cc[nH]n1 772531353 KRWUBFUUCLLEID-UHFFFAOYSA-N 375.389 -0.134 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)cc1 774831682 IPKJQEOFCULUNQ-GOEBONIOSA-N 393.465 -0.036 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1 785159135 IVGAJIAEHZMOEY-ZDUSSCGKSA-N 397.453 -0.296 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](Cc2ccc(F)cc2)C(N)=O)C1=O 785283126 KOWHCEJCMSSUQK-GFCCVEGCSA-N 377.328 -0.258 30 20 GBED C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NCCNc1ncccc1C#N 787775500 PXESIQRNWLCNEA-RYUDHWBXSA-N 381.458 -0.239 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3nccnc3C)CC2)c1=O 799572517 GQMANUFLDWLKJL-UHFFFAOYSA-N 399.455 -0.578 30 20 GBED C#Cc1ccccc1CC(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 811259678 FVZWXOCETPKUTD-AWEZNQCLSA-N 378.406 -0.234 30 20 GBED Cn1cc(-c2nn[nH]n2)c(=O)n(Cc2nnc(-c3cccc(C#N)c3)o2)c1=O 826356882 JPEMORJNDWPMAM-UHFFFAOYSA-N 377.324 -0.303 30 20 GBED Cn1cnc(S(=O)(=O)NCC(=O)O[C@@H](C(=O)O)c2ccc(C#N)cc2)c1 833058204 SUYDCELUFCOZFF-CQSZACIVSA-N 378.366 -0.061 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)O)oc2CC)CC1 833365878 VPPSPKXIRNOBSO-UHFFFAOYSA-N 383.426 -0.404 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CO)C2CC2)cc1 848639268 SARUBQWIWKZOIM-MRXNPFEDSA-N 397.478 -0.117 30 20 GBED CC1(C)COC(=O)[C@@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 848955526 CQNDBETXSMERSV-LBPRGKRZSA-N 387.439 -0.282 30 20 GBED C#CCN(C)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)Nc2cccnc21 848962104 ZQCVYWABADRWST-UHFFFAOYSA-N 386.455 -0.545 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(COC)c2)CC1 872515761 VKEVYPLUDZOQAT-UHFFFAOYSA-N 387.483 -0.393 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1OC 946820456 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GBED C#CCN(C(=O)C[C@H]1CCOC1)C1CCN(CC(=O)NCc2cnn[nH]2)CC1 1574895038 LUDWACMTOSCPKA-OAHLLOKOSA-N 388.472 -0.226 30 20 GBED C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)CC(=O)NCc3cnn[nH]3)C[C@@H]2O)C1 1575059179 JLQZXMQPHRZYLC-KGLIPLIRSA-N 390.444 -0.755 30 20 GBED C=CCN1CC(N2C[C@H](NC(=O)C3CCN(Cc4cnn[nH]4)CC3)CC2=O)C1 1575100741 WBFNPJDQDHEFMO-OAHLLOKOSA-N 387.488 -0.396 30 20 GBED CN(CCNC(=O)C1CCN(Cc2cnn[nH]2)CC1)C(=O)CSCC#N 1576821709 IDHIIPQZZAJFTK-UHFFFAOYSA-N 379.490 -0.152 30 20 GBED CN(C[C@@H](O)CN(C)c1nccnc1C#N)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1579031221 MBSQTAAMRWCXSZ-NSHDSACASA-N 382.388 -0.574 30 20 GBED N#Cc1nc(N2CCN(c3ncccc3C(N)=O)CC2)cnc1-c1nn[nH]n1 1581879619 QUPGUTBPRCGOBA-UHFFFAOYSA-N 377.372 -0.651 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)s1 1588351401 SJCBHODVZOOYEA-OCCSQVGLSA-N 389.485 -0.408 30 20 GBED C=CCCOCC(=O)NC1(CO)CCN(c2cncc(-c3nn[nH]n3)n2)CC1 1602844834 RWHZZAIWJBHRNQ-UHFFFAOYSA-N 388.432 -0.303 30 20 GBED N#Cc1cn(CCC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)c(=O)nc1O 1629949368 PFBYKJWSOUGPSN-UHFFFAOYSA-N 397.391 -0.099 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CC(N)=O)[C@H]2C1 1784593428 QRJQFIPRKPMQOO-YXMSTPNBSA-N 379.457 -0.484 30 20 GBED CC(C)[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2 1793613865 AYDSQTGAKWYBGL-JYYAWHABSA-N 387.546 -0.134 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCSC(=N)N 1795584341 VFDRYBOCUONYGM-XPCVCDNBSA-N 382.486 -0.369 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(CO)on1 1798733834 JMHPMIMYFUCUIG-NOXHYTERSA-N 393.440 -0.057 30 20 GBED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2)[C@@H]1C[C@H](O)CN1 1799138777 YCVZCHRFXYHDPR-STEXWYFWSA-N 383.448 -0.650 30 20 GBED Cc1cnc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)cnn2c1 1800777522 YMAWQZZATMJLDT-FVCICTRLSA-N 397.391 -0.671 30 20 GBED N#CCC(=O)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CC1 1810491393 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30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1=O 299615062 YVDPCFJSLDDQNN-UHFFFAOYSA-N 382.380 -0.421 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(O)(C(F)F)C1 349467701 NYDLZHXWMUIVJQ-SECBINFHSA-N 375.419 -0.808 30 20 GBED C[C@@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cccc(C#N)n1 349477012 IGDDCHSRHJPKOC-LLVKDONJSA-N 376.460 -0.273 30 20 GBED Cn1[nH]cnc1=NS(=O)(=O)c1ccccc1S(=O)(=O)N1CC(C#N)C1 349479758 JQUYEBFGGGNUBM-UHFFFAOYSA-N 382.427 -0.818 30 20 GBED N#CC1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2nc3ccccn3n2)C1 349599056 ISOVNNLYUHSCJZ-UHFFFAOYSA-N 398.470 0.036 30 20 GBED CNC(=O)N[C@H]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 468721830 DEXNJCSFPXDJBR-ZDUSSCGKSA-N 379.442 -0.060 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)CC2)c1C#N 530521763 HCOIJTFMEMWUEU-IBGZPJMESA-N 399.455 -0.031 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 541400882 HMJGEJYVGFVPEQ-AWEZNQCLSA-N 376.369 -0.765 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)NCC(=O)NCCN2CCCCCC2)n1 560253298 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CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N[C@H](C#N)CO 597749539 KSVWPPFDOMLSSV-ABAIWWIYSA-N 383.426 -0.239 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](O)[C@@H]2CCCO2)cc1 600764641 TYNKJQPMUSEPRQ-KGLIPLIRSA-N 389.455 -0.693 30 20 GBED C=C(C)CNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 681727666 PYCSFQYLDNKPIJ-UHFFFAOYSA-N 381.458 -0.206 30 20 GBED COC(=O)CN(CC#N)C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 737859568 CCARJHIYJKTUEU-GOSISDBHSA-N 388.380 -0.013 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(N)(=O)=O)cc2F)CC1 770483477 PMOLQTGTPWJCOU-UHFFFAOYSA-N 396.444 -0.630 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N(CCO)CCN1CCOCC1 783471025 WPOHVCGCONQZFF-UHFFFAOYSA-N 393.415 -0.071 30 20 GBED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)C(N)=O 819525399 DFHHKYQZHJBBKP-RYUDHWBXSA-N 382.442 -0.898 30 20 GBED C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2cnn(CC(=O)O)c2)c1 825636555 MTKOKQWLIAYXBP-UHFFFAOYSA-N 376.394 -0.110 30 20 GBED Cn1c(N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c(C#N)c(=O)n(C)c1=O 848717728 VMDXZIKLGMBEJV-UWVGGRQHSA-N 385.346 -0.197 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCNC(C)=O)cc1 848943015 IZZGXLLTPCATFN-UHFFFAOYSA-N 398.466 -0.752 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)Cc2csc(C)n2)CC1 872514817 AIBTZSMNBSHWND-UHFFFAOYSA-N 378.501 -0.633 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)NCC23COCCN2CCOC3)cc1 913309872 FBSTYSHNSSCCPF-UHFFFAOYSA-N 395.481 -0.018 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 959693426 RIHUCBQKLZCGCU-OEUWWYETSA-N 392.456 -0.127 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 975286132 FNBIEZPWFSELHC-OEUWWYETSA-N 390.440 -0.421 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]21 977215216 GHYSVBMIYIPYBM-LRTNIKQMSA-N 391.468 -0.036 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NOC[C@H]3CCOC3)C2=O)cc1 1117534417 RLPWLJHJJGCGAN-JKSUJKDBSA-N 386.408 -0.140 30 20 GBED N#CCC1(O)CN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)C1 1255317608 BKYBGHGUZPNOOP-UHFFFAOYSA-N 380.426 -0.729 30 20 GBED N#Cc1ccccc1S(=O)(=O)NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 1317878741 XCSZKIQKWIZJLU-UHFFFAOYSA-N 392.418 -0.139 30 20 GBED CC(C)(C)C(=O)N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1331880643 ADVYUFRZVVWFKX-HNNXBMFYSA-N 375.473 -0.098 30 20 GBED N#C[C@H]1CNC[C@@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 1332517435 RDEDCGAOFXYARF-FZMZJTMJSA-N 379.442 -0.988 30 20 GBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCN(S(=O)(=O)C2CC2)CC1 1341328875 ZQBAUXYBDMKBSU-GFCCVEGCSA-N 380.474 -0.318 30 20 GBED C#Cc1cncc(C(=O)NC[C@@H](O)CNc2nc(C)cc(-c3nn[nH]n3)n2)c1 1573291586 GCTHLRJRTWXMDZ-CYBMUJFWSA-N 379.384 -0.456 30 20 GBED C=CCCn1cc(C(=O)N(CC)CCN=c2cc[nH]c(-c3nn[nH]n3)n2)nn1 1573342080 SSOIFICMTAKTOL-UHFFFAOYSA-N 383.420 -0.180 30 20 GBED CC(C)(C)C#CC(=O)N1CCN(C2CN(CC(=O)NCc3cnn[nH]3)C2)CC1 1575247697 XJLURCPFQBROJZ-UHFFFAOYSA-N 387.488 -0.701 30 20 GBED N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)CC(=O)NCc2cnn[nH]2)[nH]1 1577712696 WBELKARWMATAHX-ZIAGYGMSSA-N 398.427 -0.132 30 20 GBED N#CCc1ccsc1C(=O)N1CC(n2cc(-c3nn[nH]n3)c(O)nc2=O)C1 1581859456 ITXKDRXLSOKUML-UHFFFAOYSA-N 384.381 -0.046 30 20 GBED N#Cc1ccc(C(=O)NC[C@]2(O)CCN(c3ccc(-c4nn[nH]n4)cn3)C2)[nH]1 1581867530 LYKUGERKDFLPQJ-QGZVFWFLSA-N 379.384 -0.167 30 20 GBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H](O)C2)nc1 1581870992 BQTZZWXJSHNTGN-TZMCWYRMSA-N 379.384 -0.169 30 20 GBED C=CCCOCC(=O)N1CCO[C@H]([C@H](C)N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1588616833 NBLMTOHICFNZKL-STQMWFEESA-N 388.432 -0.301 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](CNc2cncc(-c3nn[nH]n3)n2)C1 1588721482 IWHBJKYJPQXYRG-SCRDCRAPSA-N 386.416 -0.113 30 20 GBED COC(=O)/C=C1/SCC(=O)N1CCCn1c(N)nc(-c2nn[nH]n2)c1C#N 1591256164 ICOFNYLISDAWJA-BJMVGYQFSA-N 389.401 -0.503 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 1602791730 ALGWXIKELHLACY-IAGOWNOFSA-N 388.432 -0.305 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)Nc1cnn(-c2ncccc2-c2nn[nH]n2)c1 1609052906 VFODBGSKKZFRNH-SNVBAGLBSA-N 383.372 -0.297 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777987402 VHWHWQHHSDQZON-SFHVURJKSA-N 383.364 -0.739 30 20 GBED O=C1CC(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)=NN1 1778938695 FMISRYKOEGVXLB-HDAJJNEKSA-N 390.444 -0.836 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnncc4C(=O)O)C3)C2)CC1 1779521963 BAGZLCVJTLTHHV-GOSISDBHSA-N 385.380 -0.078 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)ncn3)C2)C1 1779819930 UXCWEMBFJWSJER-INIZCTEOSA-N 378.772 -0.339 30 20 GBED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)n1cncn1 1782534100 XJTGAAQCCDFOKC-HBUWYVDXSA-N 389.412 -0.559 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784335873 MFSAOBIYXFTPMC-QAPCUYQASA-N 375.429 -0.464 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786799878 BWSLAQZUNWGJEY-YXMSTPNBSA-N 396.488 -0.850 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cncn3)[C@H]2C1 1787087944 RXBDCYXWKFVWMB-VGWMRTNUSA-N 391.472 -0.169 30 20 GBED CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]2C1 1791262150 UHMGTFUGOKNBQF-VOAKCMCISA-N 388.559 -0.232 30 20 GBED CN(C)C(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1792627121 QTPNOCCTQDAZCN-YWVIFJGQSA-N 388.428 -0.639 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597436 KCYFBOZXNUYMDZ-WCXIOVBPSA-N 390.484 -0.104 30 20 GBED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)N1C[C@H]2C[C@H]2C1 1797637884 QWWLJMUKSCDDHZ-KOFCLRGJSA-N 375.425 -0.996 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCC3)C2 1800777123 FGCNUXIORARHDK-IVWMJMPLSA-N 386.408 -0.489 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1C1CC1)CCO2 1830505874 RTKLTYGKFGFHTR-CLCXKQKWSA-N 376.409 -0.423 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)C(C)C)CCO2)C1 1830858762 BCINLFGVKCGCQZ-JTDSTZFVSA-N 382.457 -0.502 30 20 GBED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)nn1C 1830949173 IMIBARFQEOOOLX-SFHVURJKSA-N 375.429 -0.359 30 20 GBED CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831209115 SNRBVKTUYMREIV-HXUWFJFHSA-N 391.468 -0.229 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1831487972 UEUPBUSBNPBWKV-DYVFJYSZSA-N 387.502 -0.515 30 20 GBED Cn1nncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1833222792 KMLJTSUNGVJBFR-KRWDZBQOSA-N 376.417 -0.565 30 20 GBED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(N)=O)CC2)CC1 1833476251 IMUHSWMNJWQBLG-AWEZNQCLSA-N 395.504 -0.183 30 20 GBED CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)CC1 1834767595 VKZNLPBWUUXEEV-KRWDZBQOSA-N 379.413 -0.300 30 20 GBED C[C@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1835523704 VEGRMVQFLSLKGX-BEFAXECRSA-N 395.504 -0.681 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836347292 DXAXDMWHSNNUOE-WBMJQRKESA-N 383.474 -0.171 30 20 GBED CC(C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733196 SGGCDNFNTIFLDH-APWZRJJASA-N 390.440 -0.027 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)OC(=O)NC(C)C)CCO2 1839074548 QUGWGWKCAIIHNJ-IBGZPJMESA-N 395.456 -0.011 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1840041694 CIMQFQUGMLVHMT-SFHVURJKSA-N 391.355 -0.621 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840232923 KHHQKRJIQANNAG-JXFKEZNVSA-N 391.468 -0.228 30 20 GBED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)NCCC#N)[C@H](C)O)cc1C 9083982 OJCUCXWTNROSFE-XJKSGUPXSA-N 397.453 -0.096 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@H](O)CN2CCOCC2)cc1 267716731 RQYZEAVTHRNYAG-INIZCTEOSA-N 397.497 -0.084 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCNC(=O)c1ccn[nH]1 272529940 BCCRDZOEYBBWPZ-LLVKDONJSA-N 390.425 -0.506 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(c2ncnc3c2cnn3C)CC1 282976901 XDBGDDZLHAEIOW-GFCCVEGCSA-N 378.462 -0.178 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)C1=O 299434967 VSSOLYQADSCGTI-CYBMUJFWSA-N 397.453 -0.079 30 20 GBED CN(C)S(=O)(=O)c1cccc(/C(O)=N/CC(=O)N2CCOC[C@H]2C#N)c1 331033218 WNJBYEALMSTDRK-CYBMUJFWSA-N 380.426 -0.008 30 20 GBED CN(C)S(=O)(=O)NCC/N=C(/O)NCC1(N2CCOCC2)CCCCC1 331356215 RQNOUBAPISWSAM-UHFFFAOYSA-N 391.538 -0.079 30 20 GBED CO[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)N[C@@H](C)C#N)C[C@H]1O 349455890 REXRDGWQPYHPJK-QJPTWQEYSA-N 389.455 -0.743 30 20 GBED CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N 349524581 PUAUFFQISJYWAH-OLZOCXBDSA-N 394.519 -0.664 30 20 GBED Cc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)cc1S(=O)(=O)NCC#N 426656792 KIDMGXWVWQHGEV-WCQYABFASA-N 385.467 -0.040 30 20 GBED C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 427722229 SMVAWPWEAJYXCF-CQSZACIVSA-N 375.429 0.248 30 20 GBED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C 479373997 HFJFSPBJORNOPC-UHFFFAOYSA-N 388.449 -0.494 30 20 GBED C=CCNC(=O)CNC(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1 538599257 QUVWKKKABNGCLV-UHFFFAOYSA-N 385.442 -0.209 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(O)(C(F)F)C1 563431303 LBITXUQSZMCWLR-UHFFFAOYSA-N 375.419 -0.760 30 20 GBED CN1CN(S(=O)(=O)c2ccccc2S(=O)(=O)NC(C)(C)C#N)CC1=O 569139372 CDULBIWIUQKNHB-UHFFFAOYSA-N 386.455 -0.313 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(c3ncccn3)CC2)c1 570414896 UIOZXGYEDGLKHB-UHFFFAOYSA-N 386.437 -0.025 30 20 GBED N#Cc1cccc(CN2CCC(NC(=O)C(=O)NC[C@@H]3CNCCO3)CC2)c1 593783265 YLDMWUUICZTKFF-SFHVURJKSA-N 385.468 -0.257 30 20 GBED C[C@]1(C(N)=O)CCN(C(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)C1 595170428 UWDKZXKDCKVKMW-KRWDZBQOSA-N 375.454 -0.008 30 20 GBED COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCCCN1CCC[C@H]1C(N)=O 599395235 FLRGWTGHJZTEKC-AWEZNQCLSA-N 394.453 -0.037 30 20 GBED COC(=O)C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)OC 600843501 ZAOHYNCEPPMNQK-GFCCVEGCSA-N 383.382 -0.943 30 20 GBED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)cc1 608911880 USQAZZXCCRCWNI-UHFFFAOYSA-N 398.488 -0.015 30 20 GBED CCN(CCC#N)C(=O)COC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 726641534 JPGHLJQLZYIABF-UHFFFAOYSA-N 385.446 -0.298 30 20 GBED Cn1c(=O)c2c(ncn2CC(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)n(C)c1=O 734560659 HPYFNCUCOVMRRI-CQSZACIVSA-N 396.363 -0.925 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccn(CCC(N)=O)n2)c1 735477876 WEYVXGLAINSBSE-UHFFFAOYSA-N 375.410 -0.078 30 20 GBED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCOC)c1=O 753789690 VWDSFGZNINCKSI-UHFFFAOYSA-N 389.481 -0.200 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@H]1c1ncon1 767177149 MNDSXCBLXZPWKM-NSHDSACASA-N 377.382 -0.292 30 20 GBED N#Cc1cnn2c(O)cc(COC(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)nc12 783903673 RXZRUPDBKZVZLF-FIXIBIHLSA-N 397.347 -0.488 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccnc(OCC(F)F)c2)CC1 831565107 MCDHJBFMBZHSIZ-UHFFFAOYSA-N 388.396 -0.049 30 20 GBED CC#CC[C@@H](CO)NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 844118541 PLJVMDLHPQZXHF-VIFPVBQESA-N 382.218 -0.217 30 20 GBED CCOC(=O)CON=C(C(=O)N1C[C@@H](C(=O)OC)C[C@@H](O)C1)c1cc[nH]n1 844120556 ZTFDEFUCDHOQEC-WDEREUQCSA-N 382.373 -0.924 30 20 GBED C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 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CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCNC(=O)C1 1110446565 NZYMUQCWNKKXGN-FPCVCCKLSA-N 375.473 -0.004 30 20 GBED NC(=O)c1ccc(N2CCN(C(=O)C(=O)NCC#Cc3ccccc3)CC2)nc1 1117008552 NRMLFZHPCZQYEI-UHFFFAOYSA-N 391.431 -0.003 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CCCN3CCC[C@H]3C2)CC1 1118410779 CZDIWRYHOWVTGS-AWEZNQCLSA-N 390.531 -0.148 30 20 GBED N#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)n1 1130234717 IUZCDCXTZMXNIY-VOAKCMCISA-N 375.433 -0.692 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1ccc(OCC(N)=O)c(OC)c1)[C@H]1CCCO1 1257241692 NBFOGLYXBTWHEG-UONOGXRCSA-N 389.408 -0.528 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1nc2cc(OC)ccc2n1C 1261178544 QXHOQUWUDAMIDA-UHFFFAOYSA-N 394.453 -0.085 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 1320709969 RGKASFRJGFQXFF-AAEUAGOBSA-N 385.467 -0.224 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC1CCN(CC#N)CC1 1328684751 IKMWHIBRHSEWIR-AWEZNQCLSA-N 396.455 -0.510 30 20 GBED C[C@@H]1CCCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@@H]1CCO 1328921128 JWNDETUEVIPOLP-FJOSAAFMSA-N 378.429 -0.362 30 20 GBED N#Cc1ncn(CCNC(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)n1 1329228660 UKMXUMZWKFBQGB-GFCCVEGCSA-N 381.462 -0.347 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(Cc3cscn3)CC2)nn1 1332058198 MRVQOEHRGMJTFQ-UHFFFAOYSA-N 375.458 -0.119 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 1338537822 IAYAJWWFLXHWGU-UHFFFAOYSA-N 380.514 -0.199 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1349227343 ICZBYPLYASFGBB-OXJNMPFZSA-N 395.419 -0.348 30 20 GBED CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CC#N 1503282328 PWOOTMQQWRIKHU-VXGBXAGGSA-N 383.478 -0.093 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N[C@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)CCO1 1581857284 WRTKRAAXGGXAEW-KBPBESRZSA-N 375.414 -0.607 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[nH]n1 1588351151 GTHLJVIQEMNBNO-KBXIAJHMSA-N 393.455 -0.020 30 20 GBED COC(=O)CN1CCN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)CC1 1591267881 LJPBKYYHLUDCJH-OAHLLOKOSA-N 383.412 -0.134 30 20 GBED CCOC(=O)C1([S@@](C)=O)CCN(C(=O)NCCn2cnc(C#N)n2)CC1 1682197828 ZZYGQOMNBLEBKM-AREMUKBSSA-N 382.446 -0.364 30 20 GBED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC2CC2)C1 1771363049 QYBOZFLCFPLIFV-ZIAGYGMSSA-N 396.473 -0.250 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1778975024 WBLSCHKBQHVFBM-TYILLQQXSA-N 379.457 -0.475 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)OCC)C2 1793342624 WBGKEPSUANNGKD-CWDQHJBLSA-N 378.425 -0.266 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)N1CCCC1 1793805578 KOELXKWNCXWNCO-HBCWATKFSA-N 391.424 -0.933 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797839693 XCUDJUVDKKBLIK-JZSMVWDSSA-N 390.440 -0.187 30 20 GBED C[C@@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797840044 SZPQXTHMQZLDOL-FLONTAGKSA-N 376.413 -0.577 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(C)=O 1797964273 PNCDAZOOLIZXML-RKOFLFEYSA-N 397.472 -0.682 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2ccccc2N1 1800318058 VNHMKAVPQLJNPI-MVWRLGRASA-N 383.404 -0.299 30 20 GBED NC(=O)[C@H](N)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200627 NMXZGEUOXUGOQH-PWSUYJOCSA-N 390.400 -0.917 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1830064723 OVQFOBVSYSDTOS-KUHUBIRLSA-N 392.456 -0.481 30 20 GBED Cn1nncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1833234515 BLKHXXDGQCGZID-SFHVURJKSA-N 399.411 -0.601 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H](N)c1cccnc1)CCO2 1835829187 WBCBACHLCUUCSA-QFBILLFUSA-N 387.440 -0.158 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1839158469 KIKSLEVMEXLFNJ-VBQJREDUSA-N 387.502 -0.468 30 20 GBED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)CC1 1839896285 PRACPOSZCMGYHD-SFHVURJKSA-N 391.424 -0.300 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)c1cnc(O)nc1O)C2 1842919735 SLHCCLYCCJNSPQ-UHFFFAOYSA-N 388.428 -0.013 30 20 GBED COC[C@@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842920460 OHODFLQYODGETB-OAHLLOKOSA-N 393.488 -0.377 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846460847 MAVXMDIYGIFZMY-UHFFFAOYSA-N 389.408 -0.376 30 20 GBED C/N=C(/NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCc1nnc2n1CCC2 261822204 UOPKETWOXJKKOP-GVAFMPQTSA-N 383.456 -0.304 30 20 GBED C[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 268865331 SRIBUVSUPVWCIM-NWDGAFQWSA-N 385.467 -0.129 30 20 GBED CC[C@@]1(C)NC(=O)N(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1=O 278865873 SGOABXHLKBUKAR-MGPLVRAMSA-N 393.425 -0.023 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCc3cc(C(N)=O)no3)CC2)cc1 287177839 NJRZZNFFQOKGNQ-UHFFFAOYSA-N 396.407 -0.394 30 20 GBED CN(C/C(O)=N/CCS(=O)(=O)N1CCSCC1)[C@@H]1CCS(=O)(=O)C1 328765007 DVRMWAIXLZKQHY-GFCCVEGCSA-N 399.560 -0.560 30 20 GBED CC[C@H](/N=C(/O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)N1CCOCC1 330731664 JEBYMGGWQYTIGK-BFHYXJOUSA-N 390.506 -0.012 30 20 GBED C[C@H]1C(=O)N(C)CCN1S(=O)(=O)CCCCS(=O)(=O)NC1(C#N)CC1 349605260 URWFAPKUKBKDGQ-LBPRGKRZSA-N 392.503 -0.766 30 20 GBED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCCN3CCNCC3)CC2)cc1 419876499 VWIGXHZSFQAMKV-UHFFFAOYSA-N 398.511 -0.386 30 20 GBED COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccnc2C#N)CC1 428259757 OVWJGKFPXKCBDW-AWEZNQCLSA-N 395.485 -0.199 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@@H](CO)O[C@H](C)C1 470926691 SBYNBUGOLMOPMT-OCCSQVGLSA-N 384.396 -0.006 30 20 GBED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc(N2CCN(CC3CC3)CC2)c1 509018102 UXKKXTBIFIIDFU-UHFFFAOYSA-N 398.467 -0.087 30 20 GBED CN1C(=O)C[C@@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)[C@@H]1c1ccnn1C 530270942 BBXZLHGAISUHEH-IUODEOHRSA-N 397.395 -0.843 30 20 GBED N#Cc1ccc(NC(=O)CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 533060246 BYVFQRPBPVSIDY-HZPDHXFCSA-N 378.454 -0.416 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1 576240608 BYEMZSOLYDOWSX-NSHDSACASA-N 399.454 -0.863 30 20 GBED COCCc1ccc(OC[C@@H](O)CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1 594797449 WMHQMFFJQJVLJL-DOTOQJQBSA-N 399.469 -0.326 30 20 GBED COCc1n[nH]c(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)n1 598051172 RBZBSFQNJQUAHQ-SNVBAGLBSA-N 378.414 -0.194 30 20 GBED COC(=O)CN(CC#N)C(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 609992563 QSKGLDQDPAFZLE-UHFFFAOYSA-N 396.425 -0.209 30 20 GBED C=CCn1c(COCCOC)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 634338535 CNTPFYMPCKPSOZ-UHFFFAOYSA-N 388.494 -0.445 30 20 GBED Cn1c(CON=C(N)c2ccc(CN3CCOCC3)cc2)cc(=O)n(C)c1=O 725792708 OUZUPIMGEDDUNG-UHFFFAOYSA-N 387.440 -0.247 30 20 GBED N#CCNC(=O)COC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 731245196 DWPHLWCQJNENBB-SBJJXXPASA-N 384.392 -0.027 30 20 GBED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCNC(N)=O 736104487 NJUYGPQSECQPCJ-LBPRGKRZSA-N 381.458 -0.076 30 20 GBED N#Cc1ccc(NCCNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)nc1 746392490 LDBDTSWRSQDCAP-MRXNPFEDSA-N 386.456 -0.338 30 20 GBED C#CCN1CCN(C(=O)CSc2nnc(C3CC3)n2CCC(N)=O)CC1 750000361 PZGCSYJXCDRPAN-UHFFFAOYSA-N 376.486 -0.100 30 20 GBED CCOC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 751454560 HXIAGPVTVJYWDS-UHFFFAOYSA-N 396.381 -0.138 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1 755857746 WCNWCCRJAZYWLY-UHFFFAOYSA-N 382.442 -0.963 30 20 GBED CS(=O)(=O)Nc1ccc(N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)cc1 767993326 CHTPZKRSXMVOJN-UHFFFAOYSA-N 389.441 -0.130 30 20 GBED COCCNC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 784212303 OFSOZGIPWAUITA-VXGBXAGGSA-N 383.426 -0.081 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)[C@@H]1CCCO1 809303731 AMABHCBBXFJLAE-ZJNRKIDTSA-N 376.413 -0.880 30 20 GBED CC(=O)N[C@](C)(C(=O)N[C@H]1CCCN(O)C1=O)c1ccc(S(C)(=O)=O)cc1 820477070 UCIVMXZUZFYJCJ-YOEHRIQHSA-N 397.453 -0.062 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N([C@H](C)CCC)C2)CC1 831556168 JDDSDXFUGODZQQ-HUUCEWRRSA-N 384.502 -0.365 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C=O)cc2)CC1 831574277 CINJOSPFUZRRSN-AWEZNQCLSA-N 379.438 -0.122 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 831579968 TUKGDMLZAGELSA-ZDUSSCGKSA-N 388.490 -0.146 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](OC)c2cccc(OC)c2)CC1 831584927 QGGYCGTXVMFOIE-MRXNPFEDSA-N 381.454 -0.006 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCN2CCC3(C2)OCCO3)c1 899053788 RCJFEQMQPIIPOS-UHFFFAOYSA-N 393.465 -0.223 30 20 GBED N#Cc1ccc(NCCNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)nc1 917879856 LJWLLOPRNMWLNB-UHFFFAOYSA-N 386.393 -0.127 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NCC#C)nc1 919276238 SRYKAUHVJFLVPV-STQMWFEESA-N 385.376 -0.329 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)ccc2=O)C1 969264434 MOUFTVMMXLYTFD-YVVXQTMVSA-N 375.425 -0.332 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 1021942600 HZIWBQGLZAAVGT-HZMVEIRTSA-N 391.468 -0.114 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 1023843674 UBYDJVSISOJYFU-MIGQKNRLSA-N 389.456 -0.175 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1(C(=O)NC)CC1 1111144511 YWSABFKWAUJNDZ-UPJWGTAASA-N 377.445 -0.754 30 20 GBED CCN1C(=O)[C@H]2CN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CCN2C1=O 1252860965 RZHMUZYBCWNZGL-LYZGCBJASA-N 390.400 -0.809 30 20 GBED CCS(=O)(=O)N(C)C1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1261484694 HNYUNBWBWYVVRI-INIZCTEOSA-N 386.474 -0.864 30 20 GBED COc1cc(CNC(=O)NCC(=O)NCC#N)ccc1OCC(=O)N(C)C 1323249528 FAJDPFDTUXXMGN-UHFFFAOYSA-N 377.401 -0.399 30 20 GBED N#Cc1ccncc1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1324315615 GXAMLFLLSBSSHO-AWEZNQCLSA-N 391.453 -0.986 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1326492004 NKJQMYXZHDSIAH-AWEZNQCLSA-N 386.518 -0.459 30 20 GBED CN(C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCNC1=O 1329444454 PNPQZJUOKFQOBR-GJZGRUSLSA-N 383.408 -0.483 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)C1=O 1330002808 NRSSORYIMZLMAS-CABCVRRESA-N 392.456 -0.872 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCCN2C(=O)CCC2=O)CCN1Cc1ccccc1 1342151490 IVHRKWHHUDIPGO-INIZCTEOSA-N 397.435 -0.512 30 20 GBED N#CCNC(=O)CNC(=O)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 1342537518 FWQLINUXADFBCL-UHFFFAOYSA-N 385.355 -0.270 30 20 GBED C=C(C)Cn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 1343483875 JJBIYYGFTUOBBK-ZDUSSCGKSA-N 397.505 -0.614 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1474843950 TUIUEBQQONLSTG-ZDUSSCGKSA-N 399.517 -0.241 30 20 GBED C=CCCC(=O)N1CCC(N(Cc2cnn[nH]2)C(=O)[C@H]2CNC(=O)N2)CC1 1575085505 KYZJOLZKHCUVAR-CQSZACIVSA-N 375.433 -0.228 30 20 GBED C[C@@H](C#N)C(=O)N(Cc1cnn[nH]1)C1CCN(CCN2C(=O)CNC2=O)CC1 1575176386 GFNNOXFMWBMRPI-LBPRGKRZSA-N 388.432 -0.691 30 20 GBED N#Cc1ccc(C(=O)NC[C@H]2CN(CC(=O)NCc3cnn[nH]3)CCCO2)[nH]1 1577712147 BVWRTAUXMVRVID-AWEZNQCLSA-N 386.416 -0.858 30 20 GBED CCc1nc(-c2nn[nH]n2)cc(N2CCC[C@](CO)(NC(=O)[C@@H](C)C#N)C2)n1 1578590013 BEBRTUXAXAWJKY-GTNSWQLSSA-N 385.432 -0.174 30 20 GBED C#CC[C@@H](COC)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1588333906 IKCZSRFSGWCPKB-AAEUAGOBSA-N 392.441 -0.312 30 20 GBED C=CCCOCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588617097 QHERCZUSJULGOL-CHWSQXEVSA-N 375.389 -0.911 30 20 GBED CN(C[C@@H](O)CN(C)c1ccc(-c2nn[nH]n2)cn1)C(=O)CSCC#N 1591044281 KXJNJPMSLSEQLG-LBPRGKRZSA-N 376.446 -0.226 30 20 GBED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2csc(-c3nn[nH]n3)c2)c1=O 1592544537 YGAXOJJXVXZXHF-UHFFFAOYSA-N 399.461 -0.530 30 20 GBED C=CCO[C@H]1CCN(C(=O)C(=O)NCCNc2ncccc2-c2nn[nH]n2)C1 1602866861 OSDGPCNBILXPBK-LBPRGKRZSA-N 386.416 -0.407 30 20 GBED C[C@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)n1cnc(-c2nn[nH]n2)n1 1602998156 GSOUBWFISBNZRW-LLVKDONJSA-N 379.388 -0.365 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)c(C(=O)O)c1 1608211073 ZXYIFXVOWCPQQN-GFCCVEGCSA-N 393.421 -0.092 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](O)C(=O)O)CC2)cc1 1610630090 LVHWERUWYHQURO-AWEZNQCLSA-N 381.410 -0.479 30 20 GBED Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N2CCOCC2)cn1 1748010776 YAVJHJHIUDEEQV-KRWDZBQOSA-N 388.407 -0.021 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NNC(=O)C4)[C@H]3C2)c1 1788556220 BXUJELVGUNSMFU-HUBLWGQQSA-N 384.396 -0.644 30 20 GBED COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1792972820 UGMNBAJUBOLXOV-TVRNETQVSA-N 392.408 -0.747 30 20 GBED CC(C)[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1793074235 BJZPEWPALRGJTE-FZKCQIBNSA-N 380.489 -0.125 30 20 GBED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OCC)C2 1800995483 MLVIDRVJZBCCQR-OCVGTWLNSA-N 381.429 -0.556 30 20 GBED C#CC(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1812525630 BYQVLHYYTZSOQK-KSSFIOAISA-N 392.419 -0.026 30 20 GBED C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1821873207 KQCVWBUARZOAQV-LLVKDONJSA-N 381.356 -0.525 30 20 GBED C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1)n1ccnn1 1825670477 DEQUWBMTANTEIL-ZJUUUORDSA-N 388.409 -0.004 30 20 GBED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1831216396 NZRZWJNNNYFENQ-HXUWFJFHSA-N 385.420 -0.197 30 20 GBED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1831216436 QFIIBKPWXSSMNP-LJQANCHMSA-N 386.408 -0.334 30 20 GBED CCC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682454 JRBCJLRYEJEHIG-LJQANCHMSA-N 394.472 -0.296 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cc3)C2)C1 1840043442 ZCMXHIXPSPKVFW-IBGZPJMESA-N 388.376 -0.450 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 19095376 ZEOVXANLDARHDR-UHFFFAOYSA-N 379.467 -0.253 30 20 GBED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)c2c(C#N)c(=O)n(C)c(=O)n2C)C1 263770328 SPAXJDCSXXEJBE-GFCCVEGCSA-N 391.428 -0.806 30 20 GBED CNC(=O)N1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 332265072 DDROGAMUHXQWDC-UHFFFAOYSA-N 375.433 -0.540 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](c2nccn2C)C1 349462140 KWAIMBHQGPVIGR-QWHCGFSZSA-N 389.503 -0.239 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C#N)C(C)(C)C)C[C@H]1O 349498031 AGLMTBZUYDNXDG-UPJWGTAASA-N 381.520 -0.123 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 509180914 BKAPSUCHLYZXMM-UKRRQHHQSA-N 395.485 -0.342 30 20 GBED CN(CCC#N)S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 523938954 NTUKOIKVIIKLPB-UHFFFAOYSA-N 391.431 -0.447 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)C(C)(C)C1 563734444 VKHWCHJBBHGQQS-UHFFFAOYSA-N 380.536 -0.046 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCc2ncn(C)n2)cc1 569988315 OBEWTADYBTVVQI-UHFFFAOYSA-N 398.470 -0.520 30 20 GBED CN(CC(N)=O)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C(C)(C)C#N)c1 575815172 CZUYGFKMPFPECK-UHFFFAOYSA-N 388.471 -0.285 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C1 594373833 IDWAZHQXLQGYTN-JLJPHGGASA-N 397.428 -0.173 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1nc(O)cc(CN)n1 595276221 WCKNJYWBJSEEEV-NSHDSACASA-N 383.416 -0.277 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)C[C@@]1(C)CO 595961454 COZMMFNOAVJZKE-MCIONIFRSA-N 381.520 -0.170 30 20 GBED COC(=O)c1cn(CCNC(=O)C(=O)Nc2cc(OC)c(C#N)cc2F)nn1 599975498 DDTRQEORCUJJLQ-UHFFFAOYSA-N 390.331 -0.161 30 20 GBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)CC1 728571025 UKDMUVNBOYARDI-DLBZAZTESA-N 392.500 -0.456 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H](Cc2ccccc2)n2nnnc2C)CC1 735655655 UVURNAVRILYVPN-SFHVURJKSA-N 395.467 -0.341 30 20 GBED C[C@H](CC(=O)NC[C@]1(O)CCN(C)C1)/N=C1/NS(=O)(=O)c2ccccc21 762722403 QBUNMNKAZCQZPJ-SJKOYZFVSA-N 380.470 -0.314 30 20 GBED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CN(C)NC1=O 777770891 CBHQQHSOTBOKOC-QWHCGFSZSA-N 393.469 -0.255 30 20 GBED COCCN1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 801588860 GDXSRFNWPOZKBP-UHFFFAOYSA-N 394.453 -0.220 30 20 GBED N#Cc1cncc(S(=O)(=O)NC(=O)Cn2c(O)nc3ccccc3c2=O)c1 813983575 CBFIJKIEFCXOKD-UHFFFAOYSA-N 385.361 -0.126 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC[S@@](C)=O 848957030 WBJSMOPLGJFBGT-KPWVOAKYSA-N 393.512 -0.124 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCOC[C@H](C)C1 848958787 CZXDBFQEIXASBZ-CQSZACIVSA-N 377.488 -0.537 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)COc1cccc(C#N)c1 854381280 IVFMOOGEVSPCBB-HNNXBMFYSA-N 375.381 -0.156 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 963806734 LDAQETROFYHGIY-RZFFKMDDSA-N 375.429 -0.565 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 965888649 CKDGNTUTQQJZSR-NDBYEHHHSA-N 378.433 -0.679 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccnc(NC(C)=O)c2)C1 969983887 BHRNLIAVYBCNIG-WCVJEAGWSA-N 388.424 -0.067 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CCn3ncn(C)c3=O)[C@@H]2C1 1022192838 FUJIDQJMXQRGHY-JJXSEGSLSA-N 389.456 -0.378 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)c(OC)co2)C[C@H]1O 1023960536 OYMXHTQCYJPXMP-GBOPCIDUSA-N 392.408 -0.069 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 1024443714 TYSQBORCEGSIMK-NHIYQJMISA-N 386.470 -0.910 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC1(CO)CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 1081010944 YNTXJDSCVADUNB-WCVJEAGWSA-N 393.484 -0.229 30 20 GBED C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNS(=O)(=O)c1cnn(C)c1 1110402059 VYYZZHRDPZOEPX-MXYBEHONSA-N 380.474 -0.420 30 20 GBED CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 1117248053 UXCQYOSABWCUNV-WCQYABFASA-N 380.426 -0.477 30 20 GBED C#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCN(C)[C@@H]2CC)C1 1129004825 YKYMLHAHEPBRTA-HZMVEIRTSA-N 387.488 -0.901 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)[C@@H]1CCCO1 1261154911 VRVUQXWVXRWVLP-DZKIICNBSA-N 382.424 -0.318 30 20 GBED C#CCCCNC(=O)C(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 1262124436 IKHCSXSZPDBQRB-UHFFFAOYSA-N 392.481 -0.227 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3CC(=O)NCc2cnn[nH]2)[nH]1 1577712116 AQIMGZNHECNRSA-CABCVRRESA-N 382.428 0.000 30 20 GBED CCOC(=O)CNC(=O)C1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1578245083 BTFBAWMZSZIEPI-UHFFFAOYSA-N 385.388 -0.576 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588503945 IGZPJYZAFAVJEM-BZNIZROVSA-N 377.405 -0.929 30 20 GBED C=CCCO[C@H](C)C(=O)NC[C@H]1COCCN1c1cnc(-c2nn[nH]n2)cn1 1588608751 PSKKCHNIEISKGJ-OLZOCXBDSA-N 388.432 -0.041 30 20 GBED N#Cc1cc(C(=O)N2CCO[C@H](CN=c3cc[nH]cc3-c3nn[nH]n3)C2)c[nH]1 1592685762 KTYRPDNWXYVNNE-CYBMUJFWSA-N 379.384 -0.164 30 20 GBED N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)C2CC2)CCO1 1620355520 VCNKWBJIQQPWKD-CQSZACIVSA-N 387.444 -0.231 30 20 GBED Cn1cc(C[C@@H](CO)NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cn1 1630356705 OHHODOYFIQJUJE-INIZCTEOSA-N 376.438 -0.074 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1778967671 IEBOYIKKJOXOKN-AUUYWEPGSA-N 395.456 -0.158 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1778979680 PMAPRSCXAPJDJM-RDTXWAMCSA-N 377.445 -0.319 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1781271577 DZRZBIVFHALIOM-SFHVURJKSA-N 381.429 -0.538 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=S)NCC)C2)C1 1782640450 REULCZPJXOTQSG-KDOFPFPSSA-N 398.529 -0.109 30 20 GBED C=CC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)C[C@@H]21 1790831393 YYPZCOCIBQLKNT-QPSCCSFWSA-N 395.456 -0.279 30 20 GBED CCc1oncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791074347 RUFWTEUTXMWPLW-WHOFXGATSA-N 375.381 -0.082 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(F)ccc(O)c1F 1799729114 ISCCDJOCEBIKLQ-PCCFMPIBSA-N 394.330 -0.038 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1803567539 QERKMNWSJKWYSE-SIXLDLHFSA-N 375.473 -0.036 30 20 GBED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3c[nH]c(=O)cn3)sc2C1 1821474301 NFRCZWKSUMVUIJ-QMMMGPOBSA-N 387.377 -0.460 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CCNC(=O)C3)sc2C1 1826228369 LMCMXPQYWPIFRF-VHSXEESVSA-N 390.421 -0.331 30 20 GBED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCC(=O)N2)CC1 1826665660 SGNKRUUYSLYANK-HUUCEWRRSA-N 375.425 -0.027 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1 1831394283 ZYAHFBZHBGYMPW-FCEWJHQRSA-N 380.441 -0.340 30 20 GBED Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)c(=O)[nH]c1C 1833385480 LESXWCYBZVYKBM-SFHVURJKSA-N 389.412 -0.630 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2 1833495810 ANMDOBYEGYCYJQ-GOSISDBHSA-N 390.396 -0.179 30 20 GBED Cn1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cn1 1835348038 MIGGQRUCGCKPQR-IBGZPJMESA-N 387.440 -0.277 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1836297973 OWXVJXMXGVYGGR-KBXCAEBGSA-N 393.444 -0.226 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCSC)CCO2 1840201426 RYMGTAGCNIKOLR-CRAIPNDOSA-N 384.498 -0.030 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)CCC1 1840814772 WXMPEZBOJPQOMC-GOSISDBHSA-N 389.412 -0.121 30 20 GBED C[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1(F)F 1840829878 UFCHDASVBGKJMK-HZPDHXFCSA-N 386.351 -0.424 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 24945034 XYVPIQRYLKVEAM-GFCCVEGCSA-N 399.473 -0.002 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](C)N1CCN(C)CC1 268802663 JTRBBVAHLXZNAH-GJZGRUSLSA-N 393.513 -0.023 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCCOCCOCCOC)C1=O 290356042 GIJNGVLGUAUULX-OAHLLOKOSA-N 385.461 -0.582 30 20 GBED CC(C)NS(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 297340325 JZVRCCLZKUWLHC-UHFFFAOYSA-N 393.469 -0.325 30 20 GBED CC/N=C(/O)CN1CCN(C(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 329868196 XCJQCTAMSBDWLA-YAYDYNKSSA-N 392.456 -0.342 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)CC[S@](=O)C1 349464297 WBLMDSYKJOPUNL-GTJPDFRWSA-N 385.533 -0.808 30 20 GBED C[C@H]1CN(C)C(=O)CN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N 349468993 ANQZFKTZUDCPFF-NEPJUHHUSA-N 380.492 -0.958 30 20 GBED Cc1c(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)nnn1C 349601454 OLFNWWIYWQUJKC-UHFFFAOYSA-N 376.464 -0.569 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CCO1 409491418 OZKOSZKGGYKHDZ-SJORKVTESA-N 380.470 -0.188 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N=c2nc(CCC)[nH]s2)CC1 411296350 RYRCWRZFMKPEFQ-UHFFFAOYSA-N 380.474 -0.703 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(C(COC)COC)CC2)CC1 422298723 RZZQQRVSGIACAC-UHFFFAOYSA-N 396.532 -0.051 30 20 GBED COC(=O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 476898895 NTXBJKWAUBLJNE-UHFFFAOYSA-N 394.453 -0.504 30 20 GBED CCOC(=O)c1c(NC(=O)C(=O)N2CC(C)(C(N)=O)C2)c(C#N)cn1CC 516287608 FBPYOWLWSDAGCP-UHFFFAOYSA-N 375.385 -0.171 30 20 GBED C=CCOC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 558571547 NUILUYSHGHQQKT-CQSZACIVSA-N 381.410 -0.303 30 20 GBED COC[C@H]1CN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)C[C@H](C)O1 563168224 KBNIGCNHGDKGDE-GOEBONIOSA-N 387.440 -0.136 30 20 GBED CNC(=O)C[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 565666822 HBMQYJBOWSDIJD-LLVKDONJSA-N 388.471 -0.366 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCn4ccnc4C3)CC2)nc1 581097034 GLOGDKODQGENRD-OAHLLOKOSA-N 379.424 -0.070 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c1 589504087 AIKWKLAUQYKVQR-MRXNPFEDSA-N 391.409 -0.963 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 596750243 VBDVZHNQGLCQCU-KGLIPLIRSA-N 379.442 -0.403 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)C1=O 661015400 JHYJMKGJMREMHA-IRXDYDNUSA-N 391.516 -0.530 30 20 GBED C=CCN(C(=O)COc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 677497105 FALMKKQAUREQNG-GFCCVEGCSA-N 388.467 -0.086 30 20 GBED CN(CC(=O)O)C(=O)CCN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 737401722 RWRRNMGFIJBDHE-UHFFFAOYSA-N 394.453 -0.202 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)CC1 753606875 FTDRLGICOKXPLV-UHFFFAOYSA-N 396.469 -0.654 30 20 GBED C[C@](C#N)(NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1N)C1CC1 800234569 BYNASVXAUGPCIT-MRXNPFEDSA-N 380.426 -0.101 30 20 GBED NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N[C@H]3CCCN(O)C3=O)CC2=O)c1 820476245 JSFPSHLDSQCWGP-MFKMUULPSA-N 396.425 -0.817 30 20 GBED CC#CCNC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 823936935 AHXZQRNAHVCBHN-UHFFFAOYSA-N 389.441 -0.094 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H](c3ccccc3)OC2=O)CC1 831574554 IWBXHTOECVRCNI-JKSUJKDBSA-N 391.449 -0.097 30 20 GBED C#CCCCc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1C[C@H]1CCOC1 910135875 NZJBMDZYLDGXOU-HUUCEWRRSA-N 386.456 -0.583 30 20 GBED Cc1cc(N2CCC[C@H](N3CCN(C(=O)NCC#CCO)CC3)C2=O)n(C)n1 923774379 WNZVYJKOHMDVEQ-INIZCTEOSA-N 388.472 -0.453 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@@H]2CC(=O)NC(=O)N2)nc1 1002674109 YSVZGPVCWWPAOR-RZFFKMDDSA-N 381.392 -0.477 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C[C@H]2O)nn1 1023921955 LQUIVMRAJVRDKP-SRABZTEZSA-N 389.456 -0.029 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc3[nH]nnc3c2)C[C@H]1O 1023960163 BSNHMFMUBCWTOM-NGFQHRJXSA-N 386.412 -0.364 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CO)(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1081007459 SCWPYDSJHFXDFC-KBXIAJHMSA-N 379.457 -0.441 30 20 GBED Cc1cc(C)n2nc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4CC(=O)NCC#N)nc2n1 1111344135 RWNAQFDBOBWABD-MCIONIFRSA-N 382.428 -0.284 30 20 GBED CN(C[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1)S(C)(=O)=O 1117407884 XCLRAZQDSIGORN-GFCCVEGCSA-N 382.446 -0.525 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCO[C@H](C(F)F)C1 1119071417 LNYZJVVLTUIVJL-YPMHNXCESA-N 394.382 -0.122 30 20 GBED CC(C)(C)N1C[C@H](CNC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1=O 1119084541 WHTBMHYSGYNLQH-ZFWWWQNUSA-N 375.473 -0.052 30 20 GBED CC#CCn1nnnc1N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 1120247606 XTSSTGMVGHQSTE-UHFFFAOYSA-N 375.458 -0.069 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCc2cccnc2)C[C@@H]1O 1219656127 MFARDHMMBZSQGH-BDXSIMOUSA-N 388.468 -0.160 30 20 GBED CCN(CCC#N)C(=O)COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1251197529 YIKRIBFPQJPWEH-OLZOCXBDSA-N 385.442 -0.673 30 20 GBED N#C[C@@H]1CN(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CCO1 1318724966 BMZHIJMEXTVEDJ-CQSZACIVSA-N 386.474 -0.106 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)n2)cc1 1318994687 ZFJLTSDQLAVCHT-CQSZACIVSA-N 394.395 -0.627 30 20 GBED CS(=O)(=O)NC1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 1319611251 LTLLXZDTKBLKIY-UHFFFAOYSA-N 376.438 -0.012 30 20 GBED C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)CCO2 1322696334 VSIARWYVIVXGLY-MCDHWLCHSA-N 392.412 -0.965 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 1323583840 FUCPTSGUOPESFX-GDBMZVCRSA-N 385.424 -0.644 30 20 GBED CC(C)C(=O)NCCCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1327366646 DIWFRKCHTVRCPM-UHFFFAOYSA-N 386.456 -0.120 30 20 GBED CC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1328600784 IDTNMQFVJRHYBD-NVXWUHKLSA-N 397.435 -0.093 30 20 GBED C=CCn1cc(CNC(=O)N(CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)nn1 1329181151 YUCLEQLSFIJJON-GFCCVEGCSA-N 384.462 -0.701 30 20 GBED CN(C)CCOC1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1329396712 ODUBCPCXPLPMTD-INIZCTEOSA-N 377.489 -0.246 30 20 GBED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)cn1 1340510936 YZXFQDNBKBCDKE-UHFFFAOYSA-N 396.432 -0.539 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 1345856751 BDLQZPKPOZNWQL-YJYMSZOUSA-N 385.424 -0.643 30 20 GBED Cn1cnc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 1346521291 CQOSHBNUURLNCJ-CQSZACIVSA-N 381.396 -0.780 30 20 GBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)C1 1353771420 UFQVAKGJNFYLPK-GVDBMIGSSA-N 377.489 -0.292 30 20 GBED CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)CN2CC(=O)N(C)C2=O)cc1 1356131403 OCGFFVYFVFNJQJ-ZDUSSCGKSA-N 385.380 -0.070 30 20 GBED CCS(=O)(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1552394749 OZXPETGBWGJWLT-CYBMUJFWSA-N 394.461 -0.653 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2O)nc1 1573287520 JGWUFDDTSIATBW-JSGCOSHPSA-N 391.395 -0.597 30 20 GBED C#CCN(CC(=O)O)CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 1573320579 MDJZNRFZFRSHFC-LJQANCHMSA-N 386.408 -0.019 30 20 GBED C=CCNC(=O)[C@H](C)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588657296 JSXBQRMXQOENPD-NSHDSACASA-N 388.432 -0.948 30 20 GBED N#CCNC(=O)CN1CCCC2(C1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 1592677904 LPFWBHIZLPRESK-UHFFFAOYSA-N 383.416 -0.627 30 20 GBED CC[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)O)cc1 1594725291 QUVVRKKHZYVJCC-JTQLQIEISA-N 375.428 -0.028 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)N[C@@H](C)C(=O)N(C)C 1609056460 KSCHWJQLIYLMSH-LBPRGKRZSA-N 385.428 -0.026 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC1CN(c2ccncn2)C1 1649201179 ORCWKOIJNCQMNK-UHFFFAOYSA-N 386.437 -0.090 30 20 GBED N#Cc1ccsc1NC(=O)CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 1652967269 MJLQTMQCTXBGDM-QWHCGFSZSA-N 384.483 -0.666 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1783175763 GMNLPWKZAKFPJN-RFUYNDQBSA-N 381.473 -0.086 30 20 GBED CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1783176252 PVWOHWSINGMNBP-SRKDWSFESA-N 393.488 -0.187 30 20 GBED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1783901522 RNAIXKNJKQALGB-MPGHIAIKSA-N 384.546 -0.230 30 20 GBED Cc1cc(C)n(CCC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n1 1784321206 KVWRLFDQTQFHKV-IBGZPJMESA-N 388.424 -0.192 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]21 1784501683 ZURPPHSPFSRURZ-CWVYHPPDSA-N 379.457 -0.164 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3noc(C)n3)[C@H]2C1 1785270879 VKAGWFXUILWYHX-TUUVXOQKSA-N 390.440 -0.061 30 20 GBED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1791259029 LSWRTYBCICVJHT-WDCWCFNPSA-N 382.442 -0.201 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1=O)C2 1793355713 MMCOKZNHWGWLOC-AFIMGQEJSA-N 379.457 -0.211 30 20 GBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccnc1 1793957331 MWTFWAHXKXTKMO-OEYIWLLWSA-N 392.481 -0.281 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(O)C1)C2 1795597297 CPGVRUQXHSNVMN-VBFVWNODSA-N 378.473 -0.371 30 20 GBED COC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597751 DDJHIUWQXIJHLM-XOIINTDNSA-N 394.472 -0.189 30 20 GBED C[C@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797840045 SZPQXTHMQZLDOL-WKZKRTRNSA-N 376.413 -0.577 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1808259200 PUXKMPIJYFBQHS-SIXLDLHFSA-N 375.473 -0.036 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836165874 FVRUMPWOYIFFHL-QFBILLFUSA-N 390.440 -0.622 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CC)C2)C1 1837390598 CBLOYFOAHGTPHD-VCBZYWHSSA-N 384.473 -0.213 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1837648683 RNQOAXRZTLHCIG-CRAIPNDOSA-N 377.445 -0.053 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839867686 ZXIZPRIHPDSQRW-SCLBCKFNSA-N 378.429 -0.871 30 20 GBED C[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840020008 KIYAJRWZFBEWKR-FOIQADDNSA-N 387.436 -0.062 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)N1CCN(C)CC1 1847806868 YNTWMUDMOYBIIF-XSLAGTTESA-N 376.501 -0.138 30 20 GBED Cn1cnc2c1c(=O)n(CC(=O)OCCOc1ccc(C#N)cc1)c(=O)n2C 25032649 SRERIBJXVOBJEV-UHFFFAOYSA-N 383.364 -0.072 30 20 GBED CN(CCCNC(=O)CN1CCN(c2cc(C#N)ccn2)CC1)S(C)(=O)=O 52508875 PTABSPYUTHOASZ-UHFFFAOYSA-N 394.501 -0.527 30 20 GBED C/N=C(/NC[C@@H]1CCN(C)C1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261825721 UYSKTSGSCVBIEE-AWEZNQCLSA-N 384.506 -0.351 30 20 GBED C/N=C(/NCCn1cc([N+](=O)[O-])cn1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 261857479 YUUFQFQSVOBVKC-INIZCTEOSA-N 392.420 -0.323 30 20 GBED C/N=C(/NCCS(=O)(=O)NC[C@@H]1CCCCO1)N1CCN(C(C)=O)CC1 262785272 MHCWBUIHICKJGT-HNNXBMFYSA-N 389.522 -0.786 30 20 GBED C#Cc1cccc(NC(=O)CNC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 266258337 JZTZYAMBAIOXNS-DTDBQYNISA-N 381.388 -0.115 30 20 GBED COC[C@@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 269573993 IXGLHSBRGLXMTH-MRXNPFEDSA-N 380.426 -0.534 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NC(C(=O)OCC)C(=O)OCC)c1cc[nH]n1 277900552 LVVFURYNHXEMNA-UDWIEESQSA-N 398.372 -0.696 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCC[C@H](O)[C@H]1C(=O)OC)c1cc[nH]n1 278282341 GQMAQQRUBXJROA-FGFDKPFGSA-N 382.373 -0.782 30 20 GBED C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 297873503 UOUUHDVOHANBNN-GDBMZVCRSA-N 387.440 -0.400 30 20 GBED O=C(CN1CCCC1)N1CCN(/C(O)=N/CCN2CCCS2(=O)=O)CC1 329205319 WYFGUOHFODRCIN-UHFFFAOYSA-N 387.506 -0.824 30 20 GBED C[C@H](/N=C(/O)N1CCN(C(=O)Cn2cnnn2)CC1)C(=O)N1CCCC[C@H]1C 329574070 JOMOTRSVPYZXGY-KGLIPLIRSA-N 392.464 -0.479 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](NC(N)=O)C1 349458232 GGJXKVMPQZHLIF-LLVKDONJSA-N 395.507 -0.987 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[S@](=O)CC[C@H]1C 349462210 SJGSCTVGRKVFTQ-GPAUDHNESA-N 399.560 -0.229 30 20 GBED CN(c1ccn(C)n1)S(=O)(=O)CCCS(=O)(=O)N1CC[C@](F)(C#N)C1 349489176 FKUPUYZIAGMTTQ-ZDUSSCGKSA-N 393.466 -0.156 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](n2cc(Cl)cn2)C1 349510353 YYXXKSKLTFFANH-LBPRGKRZSA-N 395.894 -0.054 30 20 GBED O=C(NCC#Cc1cccc(F)c1)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424477274 BHKOLWQSAQUYQS-CYBMUJFWSA-N 382.369 -0.996 30 20 GBED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C#N)o2)c1=O 440383027 TYTFZPXVWMIKMH-UHFFFAOYSA-N 384.417 -0.174 30 20 GBED C=CCC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 456752226 BFHCNJTZRPAIRV-CQSZACIVSA-N 381.454 -0.136 30 20 GBED C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccnc(OC)n2)c1=O 459791276 FVWWSENXKKNEAW-UHFFFAOYSA-N 385.449 -0.076 30 20 GBED COC(=O)CN1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 473272899 AUAKMLMPIXWSAG-UHFFFAOYSA-N 379.438 -0.210 30 20 GBED CN1C[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)NC3(C#N)CC3)cc2)CC1=O 514737403 AVQDPMFKVSSWBB-LLVKDONJSA-N 398.466 -0.470 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@H](NC(=O)NC3CC3)C2)c1 555086556 AXZDWPIPYJAVMD-AWEZNQCLSA-N 391.453 -0.101 30 20 GBED CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCC(=O)NCC#N 562047829 XVSUAKWPMKUZJH-UHFFFAOYSA-N 382.446 -0.236 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)C[S@](C)=O)cc1 571581364 MVLQNSOCXIOVKJ-UTSGRSJNSA-N 393.512 -0.078 30 20 GBED C[C@@H]1C(=O)NCCN1C(=O)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 593934760 YLVRZOZTCKSVEO-CQSZACIVSA-N 383.452 -0.014 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)NCCOCCS(N)(=O)=O)CC1 596623104 OVACSRDVJQADQI-UHFFFAOYSA-N 399.448 -0.166 30 20 GBED C[C@H](CN1CCN(C)CC1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 730227397 DGWVTSSVTCTFPW-CQSZACIVSA-N 393.513 -0.133 30 20 GBED N#CCNC(=O)COC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 731238397 YUFKQKOKYYDVGU-UHFFFAOYSA-N 397.409 -0.301 30 20 GBED O=C(COc1cccc(-c2nn[nH]n2)c1)NCCN/C(O)=C1/N=CC=CC1=O 737924542 HTJDNYWDOLNVCW-ICFOKQHNSA-N 383.368 -0.112 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C2=NN(CCO)C(=O)CC2)C1 756920046 MFVFBHBDGIQKON-WCQYABFASA-N 379.417 -0.168 30 20 GBED Cn1c(=O)ccn(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1=O 757589039 CHWYXZFSWKHDAO-NEPJUHHUSA-N 377.401 -0.578 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCc3sccc3C2)CC1 761024209 LJZFUZCUIOXKJX-UHFFFAOYSA-N 382.511 -0.282 30 20 GBED C[S@@](=O)CCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 804993194 KJFPOWONVTZGAN-RMKBEBRYSA-N 376.438 -0.335 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1)[C@H]1CCCO1 809309550 NMUBGPRRASVZOO-HRCADAONSA-N 378.473 -0.658 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)[C@@H]1CCCO1 809314166 YXQWLKZUZWDKFN-ILXRZTDVSA-N 385.486 -0.396 30 20 GBED C#CCN(C)CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 818589183 TWMLLIXPSABIHC-UHFFFAOYSA-N 382.486 -0.269 30 20 GBED C[C@H](C(=O)NCc1ccc(C(=O)NO)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 819552273 RSDKPNYLHBUPKB-YGARTUKASA-N 387.392 -0.027 30 20 GBED C#CC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)C(=O)OC 837947822 OHLLRKABYDRGKD-SNPRPXQTSA-N 398.412 -0.369 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CNC[C@H]2C#N)cc1 843460107 MGUNDCDCOJNSPT-DOMZBBRYSA-N 379.442 -0.459 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](O)C2CC2)cc1 848931689 GDKWLQUBKWVYHC-INIZCTEOSA-N 397.478 -0.117 30 20 GBED C#CCN1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2cn[nH]c2)CC1 848969043 UMCLOKGTUBERLA-UHFFFAOYSA-N 389.503 -0.488 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 859178590 DSZYSXBOROLRMT-UHFFFAOYSA-N 398.463 -0.334 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@H](c3ccnn3C)C2)c1=O 902573785 BFHNMVLTOQWFJM-OAHLLOKOSA-N 388.428 -0.692 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 920604648 AFSCBCKFDKYXBU-SFHVURJKSA-N 389.412 -0.213 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 969035983 AULANIMKAIGWQJ-KBXIAJHMSA-N 391.424 -0.009 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)Cn2ccnc2)C1 990900515 FGIRREFLQITYCF-WCVJEAGWSA-N 385.428 -0.366 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(CCOC)c2C)C[C@H]1O 1025710217 DASRIRSMJZNSAH-DZUCGIPZSA-N 392.456 -0.269 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(O)(CNC(=O)[C@H]2OCCO[C@H]2C)CC1 1074736104 DSCSXLDJIJBUMU-FZKCQIBNSA-N 382.457 -0.149 30 20 GBED C=CCNC(=O)CNCc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 1105285297 LSGGHZJHQSJKLU-OCABDXPQSA-N 386.456 -0.523 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CN(C(C)=O)C1 1109192893 PWOGZMBDHNQUJO-IKGGRYGDSA-N 375.473 -0.052 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(Cc2ccncc2)CC1 1261181224 RXTUGDPKURABSQ-UHFFFAOYSA-N 380.470 -0.557 30 20 GBED CNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1299252895 YYFQRZXOYJPJFK-VXGBXAGGSA-N 382.446 -0.955 30 20 GBED CS(=O)(=O)CCOCCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1318906795 OJXFCVYHYDNBSI-UHFFFAOYSA-N 388.467 -0.350 30 20 GBED CS(=O)(=O)C[C@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)c1ccccc1 1322623290 TUQLVNUQNSWTMH-INIZCTEOSA-N 392.481 -0.007 30 20 GBED CN1C[C@@H](NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1=O 1323293800 BUENYKFHGLSHNB-LBPRGKRZSA-N 386.412 -0.581 30 20 GBED C#C[C@H](NC(=O)C(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1)[C@H]1CCCO1 1323709569 AIMOZLHAEYYMTH-JKSUJKDBSA-N 399.513 -0.150 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCCN(Cc2cc(C)on2)CC1 1323711238 FXQPZEZWQLXFQD-UHFFFAOYSA-N 398.485 -0.266 30 20 GBED C=CCN1CCC(NC(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)CC1 1324460734 DZSSKJFITRRDKE-UHFFFAOYSA-N 379.505 -0.578 30 20 GBED COC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CCO1 1325708445 VPPKNMRPYGPWSJ-UONOGXRCSA-N 388.380 -0.667 30 20 GBED CCS(=O)(=O)NCCNC(=O)C(=O)NCCSCc1ccccc1C#N 1327319240 OFYUFYJUJNJSHT-UHFFFAOYSA-N 398.510 -0.037 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N(CCOC)C2CCOCC2)CC1 1330553484 ZFXNPIHVSORXOV-UHFFFAOYSA-N 379.457 -0.372 30 20 GBED C=CCn1cc(CNC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)nn1 1349017859 ZHBSZHRHBVVAJX-UHFFFAOYSA-N 392.441 -0.232 30 20 GBED N#Cc1cc(C(=O)NC[C@H]2[C@@H]3CN(c4cncc(-c5nn[nH]n5)n4)C[C@H]23)c[nH]1 1571119562 CNMQJRODALPEAU-XYYAHUGASA-N 376.384 -0.031 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@@H]2O)cn1 1573290214 GVXTWDDOMQHPLA-CABCVRRESA-N 394.370 -0.243 30 20 GBED C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN 1574486278 MBENVQGQSGDEQH-HZSPNIEDSA-N 384.506 -0.336 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[nH]n3)nn2)C1 1588356601 YHJBVGPNVUTHDS-OLZOCXBDSA-N 386.416 -0.276 30 20 GBED Cc1nsc(N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)c1-c1nn[nH]n1 1592477177 QEDCAHWYYVZBOK-MNOVXSKESA-N 385.413 -0.189 30 20 GBED Cn1c(N2CC[C@H](Oc3ccc(-c4nn[nH]n4)cn3)C2)c(C#N)c(=O)n(C)c1=O 1592553379 PFIPZRDIEOBSAD-NSHDSACASA-N 395.383 -0.812 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 1592665250 NBFCCLZUOJQKBA-STQMWFEESA-N 380.368 -0.688 30 20 GBED N#CCNC(=O)CN1CCC2(CC1)C[C@H]2NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1592677416 DPVGJIFSTHQKRL-CYBMUJFWSA-N 383.416 -0.581 30 20 GBED C#Cc1ccc(C(=O)N(CCO)CCNc2cnc(-c3nn[nH]n3)cn2)nc1 1602735602 LTHXPNDVYZRYGC-UHFFFAOYSA-N 379.384 -0.420 30 20 GBED C=CCOCC(=O)N1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1602867861 AYLCEFPEJWHRHP-KRWDZBQOSA-N 389.416 -0.519 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1783565602 WCWANTZEVYAOHQ-IBGZPJMESA-N 386.408 -0.249 30 20 GBED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(O)O)c1Cl 1792797901 GULWNFQCQANPMV-GNXNZQSNSA-N 379.800 -0.274 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)NC 1793285262 AGKULMDOFLYBDE-FVCICTRLSA-N 381.429 -0.779 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnnc1 1794668616 NUAOZLXXJFJQPF-YSWFFHECSA-N 385.424 -0.462 30 20 GBED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC[C@H](N)C(N)=O)C3)c1 1798859410 RCRRNVHYFSLVEO-DFGXFYAUSA-N 399.451 -0.646 30 20 GBED CN(CC(=O)N1CC[C@H](CNC(=O)CC#N)[C@H]1c1cccnc1)C(=O)C(=O)O 1806289568 PJQWJTWPFLQAMU-CZUORRHYSA-N 387.396 -0.456 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCOC)C2)C1 1831386615 BAKOOKKXOUBMQU-QFBILLFUSA-N 382.457 -0.092 30 20 GBED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)ccn1 1837941744 QUMRWOXGOWKQIK-IBGZPJMESA-N 387.392 -0.452 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1840041237 ZJEKPOXQWUUGMS-INIZCTEOSA-N 397.771 -0.514 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1840041844 KNHRZIWLPCNKEZ-LJQANCHMSA-N 387.392 -0.832 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1 1840167522 WJTZLMRARDRTKA-BEFAXECRSA-N 395.456 -0.691 30 20 GBED CO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840206421 VGPBBRMZQOJNAV-DNVCBOLYSA-N 396.488 -0.240 30 20 GBED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CNC2=O)C3)c1 1844893774 YFSBWOGVJSJYIV-UHFFFAOYSA-N 381.392 -0.073 30 20 GBED N#Cc1ccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 38826977 IREPDRNDMVFTIH-SCFUHWHPSA-N 382.380 -0.078 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](CN3CCOCC3)C2)C1=O 69743734 BBLIVPPPHYZVAL-AWEZNQCLSA-N 378.429 -0.466 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NC[C@@H]1COC2(CCOCC2)O1)c1cc[nH]n1 278818155 UJLJQXRIMAAADQ-GHTHLWOPSA-N 396.400 -0.268 30 20 GBED Cc1ccc(C#N)c(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)n1 287984530 ARLFXLVWANPBNH-AWEZNQCLSA-N 384.483 -0.099 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 292252516 DOWQXNXOKUQTPA-ZFWWWQNUSA-N 392.456 -0.967 30 20 GBED C[C@H](O)CN(C(=O)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)[C@@H](C)CO 297656055 FKQCDHZHQQIRHE-YDHLFZDLSA-N 376.413 -0.477 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(/C(O)=N/[C@@H]3CCC[C@H]3C#N)CC2)CC1 329683147 XPUCVNYLTHSMSE-LSDHHAIUSA-N 384.506 -0.298 30 20 GBED Cc1cc(C(=O)NCC2CCN(CC#N)CC2)nc2c1c(=O)n(C)c(=O)n2C 329777707 PJGIWARHPCSMPB-UHFFFAOYSA-N 384.440 -0.094 30 20 GBED CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 330634671 BUFBULHRGWXRCZ-HOTGVXAUSA-N 385.534 -0.308 30 20 GBED CCS(=O)(=O)C[C@@H](C)/N=C(/O)N1CCN(C(=O)CN2CCOCC2)CC1 330749436 ADEKVXZBYAEGIK-CQSZACIVSA-N 390.506 -0.800 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 330939740 DCDLEGJXDQYONG-ACJLOTCBSA-N 391.476 -0.608 30 20 GBED CNS(=O)(=O)NC1CCN(/C(O)=N/C[C@H](C)CN2CCOCC2)CC1 331240274 PGKRTPCFKQRWET-ZDUSSCGKSA-N 377.511 -0.613 30 20 GBED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)C(=O)[C@@H]1C 349513382 XLABMHMVCCGJCQ-QWHCGFSZSA-N 394.519 -0.664 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)CC[C@H]2C1 349528699 YDQXMODOPKOGND-OLZOCXBDSA-N 392.503 -0.813 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 349604044 DEKZLHHMEYVYDS-QLFBSQMISA-N 392.547 -0.094 30 20 GBED N#C[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 366010158 XQHRQMCBVAUTRO-DGCLKSJQSA-N 378.410 -0.562 30 20 GBED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCCOCC(N)=O)c1C 441873951 NQIKJMRSQNDXOT-UHFFFAOYSA-N 384.396 -0.083 30 20 GBED COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443107914 UTGHWKKKBIAGBO-NSHDSACASA-N 382.354 -0.481 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(n3cnnc3O)CC2)cc1 516085577 OSSGCMOBHOHZQZ-UHFFFAOYSA-N 390.425 -0.003 30 20 GBED CNS(=O)(=O)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cn1 547456344 BRRXNVWJJZOLNE-UHFFFAOYSA-N 377.430 -0.129 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cc1 576592485 XTWBWVBYUKTCDB-CYBMUJFWSA-N 387.483 -0.085 30 20 GBED CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)C#N)cc1 579973096 VNIXOYCMZVGEEP-GHMZBOCLSA-N 388.471 -0.368 30 20 GBED CC(C)(C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1 594539702 FHHCTWDGELCYPE-UHFFFAOYSA-N 399.454 -0.815 30 20 GBED C[C@@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)Nc1ncc(C#N)s1 594637553 UZZQUWHGVOGVNT-VIFPVBQESA-N 377.473 0.368 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)NC2CCN(C(=O)COC)CC2)CC1 604175784 CHGINKNGNBIETK-UHFFFAOYSA-N 381.477 -0.747 30 20 GBED C=C(CNC(=O)CS(=O)(=O)C(C)C)CNC(=O)CS(=O)(=O)C(C)C 620748530 UHBZSDISCFFXBW-UHFFFAOYSA-N 382.504 -0.579 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F 646952611 DAAXRLIIKAKNLA-NSHDSACASA-N 385.417 -0.095 30 20 GBED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(C)c2)c1=O 725764271 MDMWAWJPWAZCCN-UHFFFAOYSA-N 387.465 -0.539 30 20 GBED CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CC(N)=O 732797476 PRRCSEZWLDLBPG-UHFFFAOYSA-N 387.465 -0.099 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(C(=O)O)c2)CC1 737493614 DWHVHEFZVXQRCD-UHFFFAOYSA-N 383.401 -0.420 30 20 GBED COC(=O)CCNC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 749003573 AHGMXRJGBUVRGZ-UHFFFAOYSA-N 383.382 -0.941 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)oc2C)CC1 753304261 WLGBZWKHIONNSR-UHFFFAOYSA-N 396.469 -0.654 30 20 GBED C#CCNC(=O)CNc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 754693401 HUOUZBWKXGXLSE-UHFFFAOYSA-N 380.470 -0.065 30 20 GBED C#C[C@@H](NC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1)[C@H]1CCCO1 773796904 ZSAPVLYPBVKRGY-HUUCEWRRSA-N 384.392 -0.026 30 20 GBED CS(=O)(=O)N1CCN(CC(=O)NS(=O)(=O)CC2(C#N)CCCC2)CC1 778714540 VCGKHXAIHXXKOO-UHFFFAOYSA-N 392.503 -0.906 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(O)(C(N)=O)CC2)ccc1F 808025784 FHAXFDRLQCSBFU-UHFFFAOYSA-N 385.417 -0.258 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2C(=O)O)CC1 833365183 DFRWXJDIRVUICN-UHFFFAOYSA-N 397.428 -0.030 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCS(=O)(=O)N2)c1 996006819 LCBUGNWNYHDYTH-UHXUPSOCSA-N 377.426 -0.560 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O 999313634 CTNHAKIENFEWGZ-OWYFMNJBSA-N 389.456 -0.271 30 20 GBED O=C(CN1CCS(=O)(=O)CC1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 1002775538 MCFBACCCYVHLAS-OAGGEKHMSA-N 379.482 -0.622 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 1023019984 ZEIQBUDSNSFVFM-BORJPKMPSA-N 379.457 -0.332 30 20 GBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2O)[nH]1 1023429806 XSSZOXSXGWBISJ-NGFQHRJXSA-N 389.412 -0.999 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCO[C@@H](C)C1 1109175264 CQROUTHSUOZDNZ-FZKCQIBNSA-N 376.457 -0.905 30 20 GBED C=CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCNS(C)(=O)=O)nn1 1109819945 CIRGFKDYCAEJIS-IPYPFGDCSA-N 382.490 -0.262 30 20 GBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(CCOC)nn1 1110546021 JGJBHAGKYBUMPS-NHIYQJMISA-N 376.461 -0.050 30 20 GBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1111869813 LBXCTWGOIRCAEG-QOIOWGMHSA-N 390.484 -0.658 30 20 GBED C=CC[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1)c1ccncc1 1118625292 ZOMAENKXCAPFOU-HNNXBMFYSA-N 395.485 -0.234 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc3c(c2)OCCO3)CC1 1119113405 OVSUOCQDEABTSU-UHFFFAOYSA-N 379.438 -0.388 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2CNCC(N)=O)n[nH]1 1130242370 UFYHKDPBXGRJPX-QCQGSNGOSA-N 392.460 -0.651 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)[C@H](OC)C1 1212422183 NDYBPWOQXNTDPE-HWMZRRJGSA-N 382.461 -0.632 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC(N3CCCS3(=O)=O)CC2)nn1 1261448998 NHNCQNGVUFLBNJ-UHFFFAOYSA-N 396.473 -0.893 30 20 GBED C=CCN1CCC(NC(=O)C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)CC1 1323247090 QDTBTGVJMHPGFD-UHFFFAOYSA-N 398.529 -0.174 30 20 GBED CCONC(=O)CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1326749278 INASGQZVCDNVDQ-UHFFFAOYSA-N 377.376 -0.470 30 20 GBED COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1332615096 BFFJVUWQKHOLMD-OWCLPIDISA-N 380.445 -0.878 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1348372448 QLJSYJXCGLUQCH-AWEZNQCLSA-N 391.428 -0.775 30 20 GBED C#CCN1CCC(c2nnc(N3CCO[C@H](C(=O)NC)C3)n2CCOC)CC1 1514661017 AGMGZSCEGSMRKV-INIZCTEOSA-N 390.488 -0.312 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](NCc3cnn[nH]3)[C@H](c3cnn(C)c3)C2)nn1 1575112537 UXWKIIVOMLMMMM-LSDHHAIUSA-N 382.432 -0.286 30 20 GBED CO[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1579865878 RWCOFXYDMXXEDA-VXGBXAGGSA-N 380.372 -0.510 30 20 GBED N#Cc1ccc2c(c1)CN(C(=O)CCn1cc(-c3nn[nH]n3)c(O)nc1=O)C2 1581874302 LZXNLKWBXOOTJN-UHFFFAOYSA-N 378.352 -0.067 30 20 GBED C#CCOCCC(=O)N[C@@H]1CCN(c2ncc(-c3nn[nH]n3)cc2F)C[C@@H]1O 1588361512 OVGIGMMCVVSNNS-KGLIPLIRSA-N 389.391 -0.504 30 20 GBED C=C[C@](C)(O)CC(=O)N1C[C@H]2C(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 1588500092 QOAWQMRALRKPAW-PZROIBLQSA-N 385.428 -0.044 30 20 GBED N#Cc1cccc([C@H](C(=O)O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 1601119784 YDZRWTAKDLAGAP-GOSISDBHSA-N 384.392 -0.023 30 20 GBED C#CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C(=O)OC)C(=O)OC 1602696918 HJTJEGXJDUWSDO-LLVKDONJSA-N 393.381 -0.504 30 20 GBED COc1ccc(C(=O)N2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)cc1OC 1611770479 WOGAKUVUGLMOES-UHFFFAOYSA-N 399.407 -0.075 30 20 GBED COc1cc(C#N)ccc1C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 1626573745 KMGOVDFRBCFQPD-CABCVRRESA-N 379.438 -0.206 30 20 GBED C[C@H](CC(=O)N[C@H](CO)CC1OCCO1)/N=C1/NS(=O)(=O)c2ccccc21 1643839512 OYCRUNFCYDGECP-NEPJUHHUSA-N 397.453 -0.256 30 20 GBED N#Cc1ccccc1NC(=O)CCN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 1652970964 OCLOFNIBZHDZMX-SJORKVTESA-N 392.481 -0.338 30 20 GBED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nccnc1C(N)=O)CCO2 1783907812 MQDXKGZLZWMNFV-LJQANCHMSA-N 385.424 -0.178 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccn(C)n3)C[C@@H]21 1784479730 HBVWAGDPCQJSLH-FZCLSBEQSA-N 388.468 -0.019 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)OC)C[C@@H]21 1784479802 IREUYTFHXIGQFZ-UGUYLWEFSA-N 380.441 -0.042 30 20 GBED C[C@@H](Oc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1784491366 OAIGIZCHCALBBO-AUUYWEPGSA-N 387.392 -0.233 30 20 GBED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)CCC1 1785365724 PXDOKBYPYNWUMZ-LJQANCHMSA-N 376.457 -0.158 30 20 GBED CN(C)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601699 GDRQHICGKSJOPP-MQUULEJCSA-N 379.505 -0.001 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@](C)(O)CC(=O)O)C2 1793346777 MBTCVCNENOPMNX-HAZWZUGHSA-N 396.440 -0.770 30 20 GBED CS(=O)(=O)c1cncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)c1 1795078285 ZUKSUCIFPSIZJL-YWVIFJGQSA-N 392.437 -0.398 30 20 GBED CC[C@H](NC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598497 IGGADPDIKYBHGT-FZKCQIBNSA-N 379.505 -0.144 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccn1 1795870794 NIPVQQHEEMDTEJ-JLVBRIDZSA-N 390.440 -0.018 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H](NC)C(=O)O 1796085035 QSSXLFZIGUKMSL-XFBNVBTNSA-N 392.456 -0.454 30 20 GBED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1797742855 HOHKZNURHFTEHZ-PMOCIKHOSA-N 390.484 -0.060 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 1798634803 DIEPPBGYUDISKU-NFFDBFGFSA-N 391.428 -0.226 30 20 GBED Cc1ncc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)s1 1800781004 CHQNPWCDSRDPKQ-DPIQGUFMSA-N 377.422 -0.328 30 20 GBED CC(C)N1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800781149 KFAWNKRSODTCMJ-KRXQYRFLSA-N 377.441 -0.463 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cc(CO)on2)[C@H]1c1cccnc1 1811592402 LPTRPLVJHTWOMS-FZKQIMNGSA-N 398.375 -0.031 30 20 GBED C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1831597146 FCYQMOWGMJIQKD-LIRRHRJNSA-N 377.441 -0.632 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832379949 FNAFWOBFFLEUOJ-PXAZEXFGSA-N 398.485 -0.631 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cnnn1)CCO2 1836143249 AFWXEUKPZCOAOA-MRXNPFEDSA-N 396.473 -0.951 30 20 GBED C#CC(=O)N1CCC(OC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1837117421 LVZGRNSBBKWQAR-CQSZACIVSA-N 376.413 -0.784 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837366150 KWMAOFCKCJCHRO-UGSOOPFHSA-N 378.429 -0.469 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839864715 KZAMMCWKYDYBJK-RDTXWAMCSA-N 398.460 -0.491 30 20 GBED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840163358 GQLFHRCRDDBEQY-WZSOIAESSA-N 385.486 -0.199 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2 1841608509 YDSVRQJSLFZOQZ-LBPRGKRZSA-N 375.362 -0.494 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)CN1CCOCC1)C2 1842919596 PLDWVPCGNJCADH-UHFFFAOYSA-N 377.489 -0.196 30 20 GBED CN(C)CCCN(CCC#N)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 104326646 GNUMOIIDRBJHCH-UHFFFAOYSA-N 375.433 -0.872 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cc(C#N)cc(N(C)C)c1)C2 294807027 DUSWTJWGGTVVTM-UHFFFAOYSA-N 397.439 -0.273 30 20 GBED N/C(=N/CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCCN1CCOCC1 304938155 LBTAZGWYUSTMCX-YHUYYLMFSA-N 375.473 -0.580 30 20 GBED C[C@H](/C(O)=N/C[C@H]1CCCN1S(C)(=O)=O)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 328789304 KQCFTOZCKIVKJZ-UQPQVDFHSA-N 399.469 -0.082 30 20 GBED CC(=O)N1CC[C@H](N/C(O)=N/CCC(=O)N2CCN(c3ncccn3)CC2)C1 329974309 XHGXYZRDHCXSCG-HNNXBMFYSA-N 389.460 -0.360 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(/C(O)=N/Cc3nccn3C)CC2)cn1C 330086474 SEPAOMHEVWAQIE-UHFFFAOYSA-N 381.462 -0.117 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCCn2ncnc21 349514700 AHAAWJWAFUGYTB-GFCCVEGCSA-N 390.491 -0.228 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)OCC)cc1 441348208 QKBUXERGKMKNKK-GOSISDBHSA-N 377.397 -0.029 30 20 GBED COC(=O)c1cc2c(cc1NC(=O)C(=O)NCCn1cnc(C#N)n1)OCO2 508345293 UOGXYYNKBMXPPB-UHFFFAOYSA-N 386.324 -0.580 30 20 GBED CN(CC(=O)N[C@H]1CCCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1 511363957 SEMYPVBMONVUPP-ZDUSSCGKSA-N 385.467 -0.128 30 20 GBED N#CC1(NC(=O)CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)CCC1 526135633 BFHSKDKXOCRPJK-UHFFFAOYSA-N 385.472 -0.002 30 20 GBED CCC(C#N)(CC)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 528044185 RYLKUICADYJIMA-ZDUSSCGKSA-N 391.515 -0.023 30 20 GBED CC(C)N1CCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)CC1 565227969 XTFWWLJRIKLXEA-UHFFFAOYSA-N 380.536 -0.046 30 20 GBED CN1CCO[C@@H]2CN(C(=O)C(=O)N3CCN(c4ccccc4C#N)CC3)C[C@@H]21 577597014 OITUHWMTUUIZEU-ZWKOTPCHSA-N 383.452 -0.252 30 20 GBED CC(=O)N1CC(NS(=O)(=O)c2cccc(S(=O)(=O)N(C)CC#N)c2)C1 594632814 NOZMHTZTRDSBNN-UHFFFAOYSA-N 386.455 -0.660 30 20 GBED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 610586228 RQTOQORQEIGEJU-UHFFFAOYSA-N 383.405 -0.414 30 20 GBED Cc1ccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)cc1 727163665 FSWSWVMGYYQAHR-UHFFFAOYSA-N 388.474 -0.206 30 20 GBED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O 731851343 SCNMOBYIJYGSNQ-JKJHPVACSA-N 386.430 -0.625 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nn[nH]n3)o2)c(=O)n1C 821114359 PEXPTPGCLPRMMA-UHFFFAOYSA-N 385.409 -0.751 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2COc3cc(OC)ccc3C2)CC1 831560483 AEGKKGDXINRRQG-HNNXBMFYSA-N 393.465 -0.142 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1 968389386 GNHYSUIMIJGFEV-UXOAXIEHSA-N 376.413 -0.694 30 20 GBED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2nccnc2C(N)=O)[nH]1 996321404 IMBXHILVJVARIH-WXHSDQCUSA-N 379.380 -0.049 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CN2CCNC(=O)C2)C1 1007972534 GVHMVYQHXZNOGO-QOIOWGMHSA-N 390.484 -0.493 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 1025034878 CSVNJXCPQYBHRJ-DMEJVMROSA-N 376.413 -0.937 30 20 GBED NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC2(CC1)CN(C(=O)C#CC1CC1)[C@@H]1COC[C@@H]12 1026106961 XZSFDWCQHAMDTL-LTIDMASMSA-N 385.464 -0.013 30 20 GBED C#CCNC(=O)CC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1055896023 BQJMOEJBJGXMNY-BKEDOTJMSA-N 377.441 -0.837 30 20 GBED N#Cc1ccc(F)c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)c1 1077668794 RIJUNRXLNNQIFJ-LVQVYYBASA-N 376.388 -0.608 30 20 GBED C#CCNC(=O)CN(CCO)C1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 1098431866 ADELFTCTHKUQII-VDZJLULYSA-N 377.485 -0.164 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2CCC)[C@@H]2CS(=O)(=O)C[C@@H]21 1108481285 HIUHVEZJMQUDQH-LVQVYYBASA-N 381.498 -0.518 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(C)(C)N1CCOCC1 1111147298 USXUMWVUILOGKD-VQHPVUNQSA-N 376.501 -0.043 30 20 GBED CN1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 1117036097 MIYSDARGGBDHFT-QGZVFWFLSA-N 383.452 -0.058 30 20 GBED CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1n1ccnn1 1129112759 LBAQELBKWCFIPQ-KBXIAJHMSA-N 375.433 -0.926 30 20 GBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)[C@@H]2C1 1188336243 JNGKDSCOTYDSIJ-MXYBEHONSA-N 389.374 -0.385 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 1194624697 CEZWRFMHVHZZIG-NNFUDEMPSA-N 378.473 -0.131 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCCS(=O)(=O)N(C)C)C[C@H]1O 1196819499 KJSNJLBXUZWXPJ-JJXSEGSLSA-N 389.518 -0.590 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCc1ccc(OCC(N)=O)c(OC)c1)[C@@H]1CCCO1 1257241691 NBFOGLYXBTWHEG-KGLIPLIRSA-N 389.408 -0.528 30 20 GBED C[C@H]1CCC[C@@H](NC(=O)CN2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)C1 1306965189 XDSXHROZIKEIKY-UONOGXRCSA-N 388.472 -0.238 30 20 GBED C[C@H](CNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)CC1(C)OCCO1 1323421091 NVNRCGAOVFVVSV-VCHHOEMESA-N 394.428 -0.466 30 20 GBED C=CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)C1 1327291822 LILZWPCDYGXVHL-HNNXBMFYSA-N 378.473 -0.004 30 20 GBED CCCNC(=O)C1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1329773422 HERQAFBMSRRKNC-INIZCTEOSA-N 375.473 -0.050 30 20 GBED CNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1344645075 QMTGWZSTINGWIC-OAHLLOKOSA-N 384.440 -0.414 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N2C[C@@](C)(CO)[C@@](C)(CO)C2)n1 1348192587 UMODBAYWSAGTIO-KDURUIRLSA-N 376.457 -0.296 30 20 GBED C#CCN1CCC[C@H]1c1nnc(N2CCO[C@H](C(N)=O)C2)n1C[C@H]1CCOC1 1526229472 LVKZSSIYWDSWKZ-PMPSAXMXSA-N 388.472 -0.225 30 20 GBED CS(=O)(=O)NCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1 1555819666 UASWPGHCRHPFGV-CQSZACIVSA-N 391.457 -0.458 30 20 GBED C#CCNC(=O)CC(=O)N[C@H](C)CN(C)C(=O)c1ccc(-c2cnn[nH]2)nc1 1575004632 HHCCOMJJQCNPHT-GFCCVEGCSA-N 383.412 -0.417 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CCN(C(=O)CCOCc3cnn[nH]3)C2)nn1 1575099682 AVBGMAGTWCBADD-CYBMUJFWSA-N 388.432 -0.090 30 20 GBED N#CCSCC(=O)N1CC(N2CCN(C(=O)CCCc3cnn[nH]3)CC2)C1 1577710106 PHBXMUVZTITVEP-UHFFFAOYSA-N 391.501 -0.261 30 20 GBED O=C(C#CC1CC1)N1CCC[C@H](N(CCO)c2ccc(-c3nn[nH]n3)nn2)C1 1581912534 PCXKMQPBDYRURJ-AWEZNQCLSA-N 382.428 -0.140 30 20 GBED CCc1nc(NC[C@H](O)CNC(=O)CSCC#N)cc(-c2nn[nH]n2)n1 1590917570 SCHHZYLLIRATAR-VIFPVBQESA-N 377.434 -0.635 30 20 GBED CS(=O)(=O)NC1CN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 1591678507 VRABYHSGMHSHLW-GFCCVEGCSA-N 375.414 -0.691 30 20 GBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)OC)[C@@H]2C(=O)O 1609487390 NNFWBCHFCACYBB-SNIKSBKOSA-N 380.397 -0.443 30 20 GBED COC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(c2cnccc2C#N)CC1 1669480565 ZVBOBJJIRWPPPQ-UHFFFAOYSA-N 376.398 -0.026 30 20 GBED CCN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1764691643 QIVKYWRDUUAHQN-STQMWFEESA-N 396.473 -0.613 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1778780939 JJNZJZQZZZHFDY-CRAIPNDOSA-N 379.413 -0.706 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN(C)C(C)=O)C[C@@H]21 1784478171 VMOCAFOFCYZQIU-DKIMLUQUSA-N 393.484 -0.127 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1784479427 AHOXWRAVFXSVBN-QAETUUGQSA-N 391.468 -0.373 30 20 GBED NC(=O)CC[C@H](N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C/N=C/c1ccco1 1798520264 STNZFLZUXAJSCV-FQBURUSCSA-N 389.456 -0.071 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1ccnn1 1800263667 KQCMQFKWVZPLTG-DGADGQDISA-N 375.429 -0.533 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CNC(N)=O)[C@H]1c1cccnc1 1803554498 IEVFMUGEAAXIIQ-UNEWFSDZSA-N 387.440 -0.206 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)[C@H]1c1cccnc1 1812872862 IFCMXLDSSLAFMF-KHYOSLBOSA-N 398.419 -0.298 30 20 GBED CS(=O)(=O)CC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812876149 CPBSMSBWXLURMZ-DYVFJYSZSA-N 393.421 -0.780 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1829950422 OTMRDYKUJILSGP-KBXCAEBGSA-N 378.429 -0.727 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)CCO2 1838836150 ULOGRSUHXPOASO-LJQANCHMSA-N 390.440 -0.088 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840484616 AFGXNROQNIONGI-SCLBCKFNSA-N 395.481 -0.018 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844297006 OFSKRAYGEYNAQL-GOEBONIOSA-N 382.461 -0.359 30 20 GBED COC(=O)CNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 25179970 AGDNGVXKAYYQML-CYBMUJFWSA-N 394.453 -0.458 30 20 GBED C/N=C(/NC[C@H]1CCCN1S(C)(=O)=O)N1CCN(c2cnn(C)c2)C(=O)C1 261773245 PLGBYLBSMKELAM-CYBMUJFWSA-N 397.505 -0.932 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H]1C(N)=O 349465967 FAWNGCFVXVEBRQ-NSHDSACASA-N 386.455 -0.531 30 20 GBED C[C@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 349466754 REXMYENTWPYQSJ-JQWIXIFHSA-N 391.475 -0.792 30 20 GBED C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 349481246 ODZDQLGOZSLXFN-ZRUHOGSISA-N 397.544 -0.477 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1CC(=O)NCC1(C)C 349610789 KOEQOZCLKVPOGR-UHFFFAOYSA-N 380.492 -0.908 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 349615311 ZUMTUTMARFBYES-KBUPBQIOSA-N 389.499 -0.233 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCO[C@H](COCC3CC3)C2)C1=O 410883220 MERWBCBCVZUZTE-HOTGVXAUSA-N 379.457 -0.114 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCC(=O)N(C)C1=O 425093737 SMNIHSOEPYCIPA-ZWNOBZJWSA-N 378.410 -0.511 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H](OCC)[C@H](C)C2)CC1 459886260 OJIXFDKCYYJDNF-HZPDHXFCSA-N 380.489 -0.294 30 20 GBED CNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 460617632 IGFBRBZHUAWEJO-AWEZNQCLSA-N 395.423 0.371 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1cccc(C)c1C#N 544837304 OKKPHGFCDIBNNP-CQSZACIVSA-N 395.437 -0.065 30 20 GBED CC(=O)N1CC(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)CC#N)cc2)C1 566807410 OLBDLCNCURLMOQ-UHFFFAOYSA-N 386.455 -0.660 30 20 GBED CC(=O)N1CCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)[C@H](C)C1 578602673 JFWWSSCRVGCZPW-CQSZACIVSA-N 384.440 -0.319 30 20 GBED C=CCOC[C@H](NS(=O)(=O)N1CCC[C@@H](C(=O)OCC)C1)C(=O)OC 580685592 DVOZFWGGDDUHKU-OLZOCXBDSA-N 378.447 -0.160 30 20 GBED C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CN(C)CCO1 589138809 IFDPMYUWPFNMOI-GDBMZVCRSA-N 386.456 -0.563 30 20 GBED CN(C)S(=O)(=O)N(C)CC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 593402804 CRRMIDJNXUYQRB-UHFFFAOYSA-N 396.473 -0.190 30 20 GBED CN1CCN(C(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)[C@@H](CN)C1 595989660 LVKGOWBQSYYFTC-ZDUSSCGKSA-N 376.486 -0.630 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](c2nn[nH]n2)C1 731854186 UGSIFZBXCYLORC-LLVKDONJSA-N 391.413 -0.772 30 20 GBED N#C[C@H](C(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)N1CCS(=O)(=O)CC1 732909686 FKJHKSBWFIDJFC-ZIAGYGMSSA-N 376.390 -0.266 30 20 GBED C#CCNC(=S)NCCCN1CCN(CCCNC(=S)NCC#C)CC1 758170461 CAEKZZVXWABLBF-UHFFFAOYSA-N 394.614 -0.421 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1C(=O)O 771897523 PBNYDWADNWBRSM-UHFFFAOYSA-N 380.382 -0.515 30 20 GBED Cn1cc(S(=O)(=O)NN=C2CCOc3c(F)cccc32)c(=O)n(C)c1=O 771897816 SBCWZNUNTDGRSG-UHFFFAOYSA-N 382.373 -0.312 30 20 GBED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)CC1(C#N)CCCC1 779321987 XTQCDZIFHZGBKX-CYBMUJFWSA-N 384.458 -0.357 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O 799284345 DKNQESSMHJKXQB-LBPRGKRZSA-N 379.438 -0.162 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCCO1 804910982 GHYOVFBYOCSWKH-HOTGVXAUSA-N 394.449 -0.118 30 20 GBED C#CCCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 810781863 WERAQASXBSRUDW-UHFFFAOYSA-N 385.467 -0.048 30 20 GBED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 815861293 AHKYPYHTFCOVPC-UHFFFAOYSA-N 380.470 -0.254 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CCCN(O)C2=O)cc1 816756034 OMBWXGXUEATYCT-AWEZNQCLSA-N 398.441 -0.238 30 20 GBED CC(C)(C)OC(=O)N1CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)[C@@H](C#N)C1 829694585 RGUSDAKMLFRAIG-UONOGXRCSA-N 379.417 -0.179 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2Oc3ccccc3O[C@H]2C)CC1 831556841 VXWPLIQQUTZOHA-BBRMVZONSA-N 379.438 -0.173 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)C(C)(C)C1 848958621 UZSHFGJCQOBBJV-ZDUSSCGKSA-N 377.488 -0.802 30 20 GBED C[C@@H](CC(=O)NCc1nc(C(N)=O)co1)/N=C1/NS(=O)(=O)c2ccccc21 855342759 RDAMQSATWJRWDP-VIFPVBQESA-N 391.409 -0.093 30 20 GBED CN(C)C(=O)c1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C)c2=O)c1 901548661 PHYVMYBNXGRHRT-UHFFFAOYSA-N 396.472 -0.070 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 959693322 NESWYTFWQPRUBY-SYQHCUMBSA-N 378.429 -0.518 30 20 GBED C[C@H]1CC(=O)N[C@@H](C(=O)N2CCO[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)C1 960450743 BGFPCFLJENTYNQ-BQDHKBFISA-N 385.424 -0.147 30 20 GBED C[C@H](C#N)C(=O)N1CC(N2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)CC2)C1 967236747 OUBFNLVXZMYVDR-YQFWSFKMSA-N 376.457 -0.447 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1n1ccnn1 990962246 AXCNLJUCNYFIEE-MQYQWHSLSA-N 388.428 -0.997 30 20 GBED NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(CC#Cc2ccccc2)C[C@@H]1n1ccnn1 1070027466 IGKYFBFOUJBVBZ-XDNAFOTISA-N 378.436 -0.207 30 20 GBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H]1O 1077682821 MILPAUDEMBSBEX-BSDSXHPESA-N 386.452 -0.025 30 20 GBED C=CCN(CCOC)C(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 1117963050 NMSLFLHQCOUVJY-UHFFFAOYSA-N 391.490 -0.842 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)c1C#N 1255626637 ZDWRIYYCKNCYTC-UHFFFAOYSA-N 381.400 -0.392 30 20 GBED CCO[C@@H](C)c1noc(CN2CCN(C(=O)NCC(=O)NCC#N)CC2)n1 1325034573 UVBLEZVXBONQRM-LBPRGKRZSA-N 379.421 -0.366 30 20 GBED CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3CC[C@](O)(CC#N)C3)CCN2C1=O 1326263247 GUVGFKONBDAWAP-KBXCAEBGSA-N 377.445 -0.532 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)C1 1328425873 MBPHONOXXOKEGD-LJQANCHMSA-N 388.399 -0.126 30 20 GBED CCC(=O)NCC(=O)N1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H](C)C#N)CC1 1576171884 INLCHTMHCXFHLX-LBPRGKRZSA-N 375.433 -0.190 30 20 GBED CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1cc(C#N)c[nH]1 1579028292 MHCNBLJBKISCAN-LLVKDONJSA-N 382.388 -0.574 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 1588353924 LTLYRONBEIEDLV-UHFFFAOYSA-N 389.441 -0.979 30 20 GBED C#CCOCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)c(C)n2)C[C@@H]1O 1588362314 ZRBSQGFAKBUTES-GJZGRUSLSA-N 385.428 -0.334 30 20 GBED C=C(C)Cn1c(Cc2ccc(-c3nn[nH]n3)cn2)nnc1N1CCNC(=O)C1 1588437432 DMJHBVODYMSVBO-UHFFFAOYSA-N 380.416 -0.044 30 20 GBED C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)C1 1590055686 WDZPWPYDRTYWPP-SFHVURJKSA-N 395.427 -0.328 30 20 GBED CC(=O)N(CC(=O)O)C[C@@H]1CN(S(=O)(=O)N(C)[C@H](C)CC#N)CCO1 1776202070 XLOUSHCHPOJOOP-DGCLKSJQSA-N 376.435 -0.901 30 20 GBED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(CCO)CCO)C2 1783171639 KESJJVCTKGWELA-YLJYHZDGSA-N 395.500 -0.800 30 20 GBED CC(=O)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1783182545 AEMVJZOJOCXWRN-LJQANCHMSA-N 393.488 -0.376 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1783567743 XPGHUXCBRFXNOD-BFUOFWGJSA-N 386.408 -0.568 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3nc(C)no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c1c[nH]nc1C)C2 1792489843 YZBNCPKVCMSXLY-OLDVJPBNSA-N 387.440 -0.220 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1cncn1)C2 1793362358 NRSOHZZOHGNHTJ-MPTYRVRUSA-N 377.445 -0.151 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1 1797235377 YKYMLZKTRKBRBW-HGKCTWBKSA-N 396.557 -0.257 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1C[C@H]2C[C@H]2C1 1797633534 XIWFARXHXUFPLM-RHSUQVCWSA-N 389.496 -0.046 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1 1801435574 RIFPTZIEMZRXBZ-GUIRCDHDSA-N 380.474 -0.257 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCCO1)CCO2 1829926921 VLFXLRMHCUHDTE-KDOFPFPSSA-N 380.397 -0.900 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835504238 LVTGECHCKUAFON-INIZCTEOSA-N 383.474 -0.381 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CSCC(=O)OC 1847259108 UVROGWBPOXGRSY-MRYXHSKJSA-N 395.481 -0.047 30 20 GBED N#CCCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 27345176 DXXRKQMMJBLRCZ-UHFFFAOYSA-N 381.414 -0.069 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCOCCS(C)(=O)=O)cc1 265976244 MLDJCZPNPSPYAN-UHFFFAOYSA-N 388.467 -0.611 30 20 GBED C#CCOc1cccc(NC(=O)C(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)c1 275698702 SJTPVSDISYIVSS-CQSZACIVSA-N 380.422 -0.355 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1=O 281298024 IUADLZCDOANBQJ-QPHFJENPSA-N 375.425 -0.216 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCNC(=O)[C@H]2Cc2ccccc2)C1=O 294074235 HNHWYMWUPPPQID-OAHLLOKOSA-N 398.419 -0.077 30 20 GBED COCCCNC(=O)/C(C#N)=c1/s/c(=C\c2cnn(C)c2)c(=O)n1C1CC1 297954162 VBRNIOJTLMQGQB-VKDHKHAMSA-N 387.465 -0.366 30 20 GBED C=CCn1nnnc1SCC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 299071362 XPPNTCMGLKQTFO-LLVKDONJSA-N 375.476 -0.387 30 20 GBED CCS(=O)(=O)C[C@H](C)/N=C(/O)N1CCN(C(=O)CN2CCOCC2)CC1 330749435 ADEKVXZBYAEGIK-AWEZNQCLSA-N 390.506 -0.800 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@H](C)N(C)[C@H](C)C1 349515059 WGIHEBLCXXZXQE-OKILXGFUSA-N 380.536 -0.094 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)CCO1 410142384 PHMBHDRLXCMUHL-HNNXBMFYSA-N 390.425 -0.130 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC[C@@H]3C[C@@H](C)O)CC2)o1 464625678 KNWOVVFCNDEDDL-HIFRSBDPSA-N 377.445 -0.025 30 20 GBED COC(=O)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 476897370 VIJDTMAHTHZWSH-CYBMUJFWSA-N 394.453 -0.458 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)NCC2CN(S(C)(=O)=O)C2)c1 492695626 JTTCGCRHGLIUSJ-UHFFFAOYSA-N 387.483 -0.228 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@]2(O)CCSC2)cc1 517176741 QYKDCRUVFIVVOZ-ZDUSSCGKSA-N 391.496 -0.365 30 20 GBED N#Cc1cccc(CNC(=O)CN2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 520168737 SYLFHLYIKUFIKQ-UHFFFAOYSA-N 383.452 -0.059 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CCO1 521590672 SRGNDEPYWKHXAU-CQSZACIVSA-N 378.410 -0.084 30 20 GBED C=CCN(CC(=O)N1CCN(c2cnccn2)CC1)[C@H]1CCS(=O)(=O)C1 553209352 AWQYDWGTDCPYCM-HNNXBMFYSA-N 379.486 -0.200 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCC(=O)N2CCOCC2)c1 562057673 XETDKDJSPOTBPS-UHFFFAOYSA-N 380.426 -0.798 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@]2(O)CN3CCC2CC3)cc1 565195249 IQDWDMFBWTULSE-QGZVFWFLSA-N 378.454 -0.591 30 20 GBED C[C@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)S(C)(=O)=O 574595185 XULFNZJKKVHPCE-GDBMZVCRSA-N 392.481 -0.228 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@H](CC(N)=O)C1 600089353 ZSERXJNWPSMKET-CYBMUJFWSA-N 390.396 -0.375 30 20 GBED CN(C)S(=O)(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 609121621 KZFRSZBZRWDPQQ-OAHLLOKOSA-N 391.453 -0.386 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 646950760 KEJAIQJTFBVMJY-GFCCVEGCSA-N 385.417 -0.095 30 20 GBED C#CCNC(=O)CN1CCN(c2c(-c3nn[nH]n3)nnc3ccccc23)CC1 735381080 LOYKIACHRVTBRR-UHFFFAOYSA-N 377.412 -0.319 30 20 GBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 799285489 GTJOKDDLWHOAJS-CQSZACIVSA-N 388.424 -0.015 30 20 GBED CCN(C[C@H](C)C#N)C(=O)COC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 803861704 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C[C@@H]1CN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC2(CCC2)O1 1261467492 JKRFXJWMZPNYNU-DKASORFFSA-N 376.413 -0.201 30 20 GBED C=C(C)Cn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1[C@@]1(O)CCOC1 1263279610 LXZUSRUONNSFOV-LJQANCHMSA-N 390.488 -0.137 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 1320138347 YLIZUZJDTYMBBA-UHFFFAOYSA-N 386.451 -0.328 30 20 GBED COCCN(C(=O)C(=O)NCc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 1322784843 MBGFMXPAJHFSCP-HNNXBMFYSA-N 379.438 -0.163 30 20 GBED C[C@@H](CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)CC1(C)OCCO1 1323421094 NVNRCGAOVFVVSV-XROPSADXSA-N 394.428 -0.466 30 20 GBED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC(C#N)CC2)cn1 1324061568 SGJRFSSMTALOFK-UHFFFAOYSA-N 375.433 -0.738 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 1329794127 CDVAJIPENGYYJV-CYBMUJFWSA-N 377.401 -0.664 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2CCn3ncnc3C2)CC1 1330996866 ODPZEMWHGUIIEC-UHFFFAOYSA-N 383.387 -0.020 30 20 GBED C#CCCCn1nnnc1N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 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C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C(=O)C(=O)O 1801328060 MCSPZXBGVCRJLJ-FQUUOJAGSA-N 379.413 -0.794 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(OC)OC)CCO2 1831028310 FQENRPGTLBVGSE-QGZVFWFLSA-N 388.486 -0.019 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncccn3)CCO2)C1 1834287775 DTCRVPJCLNPORA-DNVCBOLYSA-N 388.424 -0.415 30 20 GBED CCCNC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834756163 SRDCIKPULYGJIO-GOSISDBHSA-N 380.445 -0.337 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1835441126 CJCNWZYJWVWWCJ-GOSISDBHSA-N 380.445 -0.921 30 20 GBED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)S)CCO2)C1 1840157215 IAHZXNXGZDHGSY-MRRJBJDNSA-N 387.502 -0.324 30 20 GBED C#CCNC(=O)COC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 7527690 RIVPOHGINWPLFW-UHFFFAOYSA-N 396.421 -0.191 30 20 GBED C#CCNC(=O)[C@H](C)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 116908427 XYQMYCFWRWXEBB-HNNXBMFYSA-N 378.498 -0.150 30 20 GBED C=CC/N=C(\NC[C@H]1CCS(=O)(=O)C1)N1CCN(c2cnn(C)c2)C(=O)C1 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GBED C=C[C@](C)(O)CC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 408214298 MKMWDCOGUONFLR-LZWOXQAQSA-N 375.491 -0.188 30 20 GBED Cc1nc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)ccc1C#N 453661370 AYHZMUWPWXBOBG-HNNXBMFYSA-N 384.440 -0.035 30 20 GBED CC(C)N1CCN(c2cccc(NC(=O)C(=O)NCC(=O)NCC#N)c2)CC1 508992181 CAKZOWKXKSXJKE-UHFFFAOYSA-N 386.456 -0.089 30 20 GBED COC(=O)CN(CC#N)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 523131304 SNAFJFBTWWJTEE-UHFFFAOYSA-N 381.410 -0.154 30 20 GBED COC(=O)[C@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 581618060 OSUUDKBVAACWJT-LLVKDONJSA-N 389.455 -0.082 30 20 GBED CNS(=O)(=O)CCCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 600664691 CAEFWOKODHQCMJ-UHFFFAOYSA-N 388.471 -0.452 30 20 GBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(CC#N)c1 619476345 GBVDRGWPTROUOR-CYBMUJFWSA-N 385.467 -0.324 30 20 GBED C=CCN(C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)[C@H](C)COC 658372871 XFNORLUPUGOFCV-GFCCVEGCSA-N 376.413 -0.110 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 728573405 PNXGXFJCKYGGKU-UHFFFAOYSA-N 389.412 -0.091 30 20 GBED C[C@@H](CC(=O)NCCCS(N)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 742571387 LCBYSZBEHQCIGO-JTQLQIEISA-N 388.471 -0.702 30 20 GBED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 756751505 WQZRTEZDWOONNA-BMIGLBTASA-N 383.430 -0.561 30 20 GBED COC[C@H](NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C(N)=O 760086125 ZGYVUURFELNILF-STQMWFEESA-N 396.469 -0.244 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCCO)CC2)c1 771772469 ZFILAEXRFGESPF-UHFFFAOYSA-N 393.465 -0.441 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cnn(CC(=O)O)c1 828500902 YVRGIFWXXRLREC-LLVKDONJSA-N 391.413 -0.471 30 20 GBED CC1(C)NC(=O)N(CCOC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1=O 914615541 JCJGBYGUGDYIFH-UHFFFAOYSA-N 394.409 -0.290 30 20 GBED C=CCCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CCN(C)[C@@H]3CC)C2)nn1 964763171 XKGYDFQBVWKTHB-ABFRBSLYSA-N 390.488 -0.114 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCCS1(=O)=O 997502174 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391.472 -0.981 30 20 GBED Cc1cc(NC(=O)C(=O)NCC2CCN(S(C)(=O)=O)CC2)ncc1C#N 1329054095 KSWLQZXVRWBPTB-UHFFFAOYSA-N 379.442 -0.012 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1 1329099590 QLKKPOJSRIVSMB-UHFFFAOYSA-N 394.516 -0.305 30 20 GBED CN(C)C(=O)CCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1329418621 JDKYJSIUBNIDFP-INIZCTEOSA-N 399.451 -0.240 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)n1 1334386921 JOKHEWUQYDPYRG-UHFFFAOYSA-N 377.426 -0.266 30 20 GBED C=C(C)Cn1c(CN2CCC[C@@H](O)C2)nnc1N1CCO[C@H](C(=O)NC)C1 1346344263 IEIDKIYWWWKTMV-CABCVRRESA-N 378.477 -0.238 30 20 GBED CC1(C)CN=C(N2CCN(C(=O)C(=O)N3CC[C@](O)(CC#N)C3)CC2)S1 1349337111 SROJNPBJFNBJLK-QGZVFWFLSA-N 379.486 -0.111 30 20 GBED N#CC[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)C1 1350183756 YCPGVNDHJPJLEB-CQSZACIVSA-N 384.440 -0.019 30 20 GBED CC(C)(C)OC(=O)[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CCO1 1545315834 WURPBOIUZQNZFS-LBPRGKRZSA-N 378.385 -0.220 30 20 GBED C=CCN1CC[C@H](N[C@H](CO)CNC(=O)c2ccc(-c3cnn[nH]3)cn2)C1=O 1575103703 HPKHELSTVULBBD-ZFWWWQNUSA-N 385.428 -0.666 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCC(O)(CNc2ccc(-c3nn[nH]n3)nn2)CC1 1588356988 HRDBWQLZBBLZCJ-LBPRGKRZSA-N 386.416 -0.540 30 20 GBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O 1588362627 MEONTLQGJBZOOS-CHWSQXEVSA-N 376.442 -0.371 30 20 GBED C#CCN(C(=O)C(=O)Nc1ccc(CC(=O)O)cc1)[C@H]1CCS(=O)(=O)C1 1588460325 YJCGLXVVGSHDFC-AWEZNQCLSA-N 378.406 -0.099 30 20 GBED C#CCN(C)C(=O)C(=O)N1C[C@H](C(=O)O)C2(CN(C(=O)OC(C)(C)C)C2)C1 1588461746 ZRVZIPZICVGLBU-GFCCVEGCSA-N 379.413 -0.142 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](n3cc(C(=O)O)nn3)C2)C1=O 1588832725 WMZJDCSKKARZCS-SNVBAGLBSA-N 390.356 -0.883 30 20 GBED C#C[C@@H](NC(=O)N1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1)[C@@H]1CCCO1 1602689705 UPPZHARVXGRFCO-KGLIPLIRSA-N 399.459 -0.079 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@H]1[C@@H]2CN(c3nc(C)cc(-c4nn[nH]n4)n3)C[C@H]12 1602724337 CSWNEADADHBCDX-XDQVBPFNSA-N 382.428 -0.198 30 20 GBED Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N1CCOCC1 1618449074 ZATIJPHYMKODEP-CQSZACIVSA-N 385.428 -0.129 30 20 GBED N#Cc1cn(CCNC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)c(=O)nc1O 1630030773 WAPSDELDEATFKH-IBGZPJMESA-N 383.408 -0.426 30 20 GBED CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1779041732 IOWBUZQILCXFPP-GOSISDBHSA-N 393.513 -0.006 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)ccn3C)C2)C1 1780101199 BCQSYTSDEHJOSN-MGPUTAFESA-N 387.436 -0.133 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1781271969 UWOVYNZWANTYFJ-AUUYWEPGSA-N 393.440 -0.538 30 20 GBED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1 1781316833 DDJRHAMIGPMRGB-HRYJJRBTSA-N 379.413 -0.463 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(C)=O)C2)C1 1783180335 UTNVJPQWAGOASN-PHWHVTFISA-N 392.456 -0.799 30 20 GBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NS(=O)(=O)CC)CCO2 1785420738 GWCVPPYNFNKUMP-RHSMWYFYSA-N 385.486 -0.443 30 20 GBED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1788469490 MUTFZKREISIVDN-YRBFXIGRSA-N 393.440 -0.556 30 20 GBED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O 1795534408 PMZNUUTWKUITBB-KRXQYRFLSA-N 378.473 -0.638 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccccc2=O)C3)c1 1798694006 PIDWJYMNZFHXFJ-CCWDJLKJSA-N 395.419 -0.049 30 20 GBED CC(C)CNC(=O)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825665279 ANGOBHMURBCWJK-JTQLQIEISA-N 392.437 -0.085 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1831418592 FDXGMBJATFEEDB-DEYYWGMASA-N 397.428 -0.858 30 20 GBED CC(C)n1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)n1 1834759873 ALFAIICPCXLEBE-QGZVFWFLSA-N 376.417 -0.157 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc[nH]4)C3)C2)c1 1838734833 MOZFVLYQDVCNDB-GOSISDBHSA-N 384.396 -0.007 30 20 GBED CN1CCCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039632 BCADEAHDGGHREM-BEFAXECRSA-N 393.440 -0.985 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccns3)C2)C1 1840041231 ZAQBXDWQPJGDIS-INIZCTEOSA-N 379.394 -0.699 30 20 GBED Cc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840042892 URPPITVWTNAZRU-LJQANCHMSA-N 387.392 -0.452 30 20 GBED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1cccc1 1840043924 CHFMSYIKJPDCJE-BEFAXECRSA-N 389.408 -0.407 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1840173353 RYMNKNYTHJBSCT-SFHVURJKSA-N 386.412 -0.230 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2 1840183328 YNVIDWLXRPIAOP-MOPGFXCFSA-N 396.440 -0.528 30 20 GBED C[C@H](NC=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814937 NGOHRPQQLRRFIX-KBXCAEBGSA-N 378.429 -0.729 30 20 GBED Cn1cnc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 69093120 JMFZBTNTEDALTO-UHFFFAOYSA-N 395.466 -0.013 30 20 GBED C[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CCN1c1nccn2cnnc12 269332042 MVDUZLAIDDXVCJ-NSHDSACASA-N 381.400 -0.892 30 20 GBED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCO)c1 298952957 SGQWCWUBETYJAC-XMHGGMMESA-N 382.442 -0.064 30 20 GBED CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCn2ncnc21 349455087 HDKUBBRFDKQIJM-UHFFFAOYSA-N 375.476 -0.507 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)CC1 349471547 DRRPSGJAEJLFQF-HPCHECBXSA-N 389.499 -0.617 30 20 GBED N#CCC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)Nc2nccs2)C1 349604811 FKMOMZCLRKRAOD-UHFFFAOYSA-N 394.500 -0.045 30 20 GBED C=CCNC(=O)CNC(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 365188436 CPPGXLLJZXQVJP-ZDUSSCGKSA-N 376.479 -0.629 30 20 GBED CN1CCN(C(=O)CN2CCC(N(C)C(=O)[C@@H](N)CCCC#N)CC2)CC1 424192925 QDQVBUMVTWKRPB-KRWDZBQOSA-N 378.521 -0.296 30 20 GBED COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 444436315 MAPPMASWIDLYIG-UKRRQHHQSA-N 395.437 -0.065 30 20 GBED COCCCS(=O)(=O)N1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 509240066 NCDVXNLTUWDYDD-ZDUSSCGKSA-N 382.508 -0.551 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 543752863 KMVHIOVNVRYNQB-LLVKDONJSA-N 383.478 -0.138 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)c(F)c1 544668336 MWOWWHCIEASMLU-NSHDSACASA-N 376.435 -0.109 30 20 GBED N#CC1(NS(=O)(=O)c2ccc(S(=O)(=O)N[C@@H]3COC[C@H]3O)cc2)CC1 574770836 PERKCTSDAUXTKK-CHWSQXEVSA-N 387.439 -0.941 30 20 GBED N#CCNC(=O)CNC(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 588136414 SRLANTDVJXHSRY-UHFFFAOYSA-N 378.477 -0.350 30 20 GBED CN(C[C@@H]1COCCO1)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 595951499 RFAXQFAEEJYCSF-GFCCVEGCSA-N 389.455 -0.476 30 20 GBED C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 658484770 CYSDVOFALSOLIC-CQSZACIVSA-N 375.433 -0.841 30 20 GBED C[C@H](CC(=O)NC[C@@H]1CN(C)CCN1C)/N=C1/NS(=O)(=O)c2ccccc21 742663702 HEGKPWRLFTXMFM-ZIAGYGMSSA-N 393.513 -0.134 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@H](O)CN2CCOCC2)cc1 751429731 FHVQVWGELPWWIZ-INIZCTEOSA-N 395.481 -0.637 30 20 GBED CC(=O)NCCNC(=O)CCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 757575975 JEPXDUPDHFOUOH-KBPBESRZSA-N 395.460 -0.106 30 20 GBED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cncs2)c1=O 758077793 ZTFRMUSGHSLJTC-UHFFFAOYSA-N 386.458 -0.639 30 20 GBED C[C@H](C(=O)OCC(=O)NC1(C#N)CCC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 784230726 QJZVRGZFWIVFSG-AFCCXKIYSA-N 375.381 -0.357 30 20 GBED COC[C@](C)(C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 821680462 KCSNSMUIZOGMJO-BMIGLBTASA-N 393.429 -0.422 30 20 GBED C=CCNC(=O)CNC(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 823919681 MTSZJLRUZTTWFR-UHFFFAOYSA-N 385.432 -0.168 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N([C@@H](C)CCC)C2)CC1 831556169 JDDSDXFUGODZQQ-LSDHHAIUSA-N 384.502 -0.365 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CN2Cc3ccccc3C2=O)CC1 831561563 ZVRBYISTAROXHD-UHFFFAOYSA-N 376.438 -0.746 30 20 GBED N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 834517079 PWHBHZHONWHLBH-IIAWOOMASA-N 378.454 -0.015 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NCCOC)c1 861847078 VUDWJOCSBIDTFT-AWEZNQCLSA-N 397.453 -0.560 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)[C@H]2CCc3ccccc3C2)CC1 919218456 JHSRVZDDZWERRU-KRWDZBQOSA-N 397.522 -0.041 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1OC 946819518 AZDUTVZMXPRTRJ-APIJFGDWSA-N 386.412 -0.329 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1O 1077016313 JNPQQHYKUQOWBH-TUVASFSCSA-N 380.445 -0.929 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC2CCOCC2)C[C@H]1OC 1082146478 HIIMBIWCCUCWOV-WCXIOVBPSA-N 381.473 -0.312 30 20 GBED C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NCC(=O)NCC#N)[C@H](C(F)(F)F)C1 1112116840 CIKWGVFCGNWGLJ-WGBDABJCSA-N 378.351 -0.591 30 20 GBED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1117533466 BREFFPVJJHRANB-CZUORRHYSA-N 397.435 -0.536 30 20 GBED C=CCNC(=O)NC(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1191431559 RSDXQBOAKNFJQB-HLUFSKSISA-N 376.457 -0.046 30 20 GBED C#CCNC(=O)C1CCN(C(=O)NC2CCN(CC(=O)N(C)C)CC2)CC1 1256686515 YDQBJLOKIJDKNA-UHFFFAOYSA-N 377.489 -0.290 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 1322965837 AFBQASKSVMSASA-UHFFFAOYSA-N 378.473 -0.701 30 20 GBED N#Cc1ccc(N2C[C@H](C(=O)NS(=O)(=O)N3CCOCC3)CC2=O)cc1 1323579393 GOKOMCDIQWUNBH-CYBMUJFWSA-N 378.410 -0.396 30 20 GBED Cc1nnc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1C 1323716375 QNTMJFQPCBOCNT-HNNXBMFYSA-N 395.423 -0.077 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCc2nnnn2C2CC2)CCN1Cc1ccccc1 1342782402 BWLVYVSQOFVJCK-INIZCTEOSA-N 394.439 -0.139 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCO[C@H](C(F)F)C1 1355908685 ZZJAOJLXCVJVHT-NSHDSACASA-N 382.371 -0.001 30 20 GBED C#Cc1ccc(C(=O)N(CCO)CCN=c2cc[nH]cc2-c2nn[nH]n2)cn1 1573288295 JJTGOPYPCLWRGB-UHFFFAOYSA-N 378.396 -0.394 30 20 GBED C=C[C@](C)(O)CC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573309591 LIOYULWEFHGFPY-IRXDYDNUSA-N 389.416 -0.785 30 20 GBED COC(=O)[C@@H](Cn1cncn1)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1579436518 JPSSTRBXIKRERJ-ZIAGYGMSSA-N 395.383 -0.502 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 1589786837 FYLTXBKKUSOTCC-LBPRGKRZSA-N 391.461 -0.138 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2O)cn1 1602740010 TXHYRFXBJWJMBP-ZIAGYGMSSA-N 377.368 -0.988 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)N(CCO)[C@H](C)C3)CC2)o1 1645689738 ZSYSWQRPVJEXHP-GASCZTMLSA-N 390.488 -0.110 30 20 GBED CC(=O)N(CC(=O)O)C[C@@H]1CN(S(=O)(=O)c2sccc2C#N)CCO1 1776201187 PZOZISCDGCRZHW-GFCCVEGCSA-N 387.439 -0.058 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781272155 XHKNECAKYPRUII-SFHVURJKSA-N 378.381 -0.586 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cnnn3)C[C@@H]21 1784505901 YYKYIIQXHVQYFT-QXKUPLGCSA-N 392.460 -0.195 30 20 GBED C[C@H](Oc1cccnc1)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1784548538 USXUMHNBEUBXPM-IFXJQAMLSA-N 387.392 -0.233 30 20 GBED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC[C@@H](N)C(N)=O)c1 1795634984 IUWACSLEEZQZCN-KYHPRHEASA-N 399.451 -0.646 30 20 GBED N=C(N)SCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797741083 YYQGVYWAAUIJBD-ZBWKZBCUSA-N 396.517 -0.326 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccnn2n1 1798418092 CKDJNZSLXOSXMY-ZXFNITATSA-N 397.435 -0.029 30 20 GBED N=C1NCCN1CC(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831669682 KIYKEHQFOLPJER-OAHLLOKOSA-N 389.456 -0.466 30 20 GBED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)Cc3cnccn3)CC2)CC1 1833372943 ZIMLINLACUXGQD-UHFFFAOYSA-N 399.451 -0.321 30 20 GBED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)n(C)n1 1834756078 LZPNHBMYFJWTBT-KRWDZBQOSA-N 377.401 -0.588 30 20 GBED C[C@@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1835527137 ADRCOMQOCOVBFH-JCBCYHQMSA-N 392.456 -0.250 30 20 GBED Cn1nncc1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1837232661 MSBOSPDVYBLQPS-UHFFFAOYSA-N 389.412 -0.485 30 20 GBED CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1837245783 DJJUNUCNMFLGII-VAZLSXMYSA-N 392.543 -0.080 30 20 GBED Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)o1 1840039747 GUJKOWMJOTWROI-SFHVURJKSA-N 376.365 -0.254 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCC1 1840045227 YGWCARVTDNKVPF-SFHVURJKSA-N 375.381 -0.775 30 20 GBED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841234485 IEEYXSABCHMZEG-GFCCVEGCSA-N 383.445 -0.030 30 20 GBED CN(CC(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1)C(=O)C(=O)O 1844259985 DNJGZWZKGIAYKR-VXLYETTFSA-N 393.444 -0.796 30 20 GBED O=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@H]3CCCCO3)C2)CN1 1844302609 DOHDJWGLFRSPBZ-RCWWIMPZSA-N 378.429 -0.145 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCN3C(=O)CNC3=O)C2=O)cc1 277129431 FVWHUXXLNALPPO-CQSZACIVSA-N 384.396 -0.490 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)C1=O 283743015 XXTAIQOCMPLFEO-TZMCWYRMSA-N 379.413 -0.353 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCN2CCC[C@@H]2C(N)=O)cc1 290718777 HCRZDPYUEVPRQC-OAHLLOKOSA-N 393.469 -0.707 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](OC)C(=O)OC 293305699 IHNCCFBVBFVYMT-AWEZNQCLSA-N 379.369 -0.174 30 20 GBED CCS(=O)(=O)N1CCC(N/C(O)=N/C[C@@H]2CC[C@H](C(=O)N(C)C)O2)CC1 330634409 BNFCVHQMZYYAKT-UONOGXRCSA-N 390.506 -0.060 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 330635856 DRJOAGSVXSHTRB-DLBZAZTESA-N 399.561 -0.060 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[S@@](=O)C[C@@H](C)C1 349460455 PTZRSPFOHBUJQS-WHEQGISXSA-N 399.560 -0.418 30 20 GBED CN(C1(CO)CC1)S(=O)(=O)CCCS(=O)(=O)Nc1cc(C#N)ccn1 349486482 VSIDMUDMFSQMOJ-UHFFFAOYSA-N 388.471 -0.128 30 20 GBED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CN(C)C[C@@H]2C1 349496708 PYDZDISTDSIMOQ-ZNMIVQPWSA-N 392.547 -0.333 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H]3C[C@@H](N(C)C)CC[C@@H]32)C1=O 366429043 MVVMQKMQQDCMDS-MELADBBJSA-N 378.429 -0.327 30 20 GBED CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NCC(=O)NCC#N)C2 377021364 UCTWQSAYQDBECT-UHFFFAOYSA-N 379.442 -0.356 30 20 GBED COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CCO1 377908332 JNOQEHKPCJALTJ-CYBMUJFWSA-N 384.352 -0.522 30 20 GBED COC(=O)[C@@H](O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 497712364 XKMXYIMMRUFZSI-HNNXBMFYSA-N 395.437 -0.391 30 20 GBED CN1CCN(C(=O)c2cc(=NS(=O)(=O)c3cncc(C#N)c3)cc[nH]2)CC1 566887574 HZKUSWDMWCWIEC-UHFFFAOYSA-N 386.437 -0.041 30 20 GBED C[C@H](C[S@@](C)=O)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N 568255945 PSWQRCFCZCZQRX-RKFFSXRUSA-N 393.512 -0.124 30 20 GBED C[C@H]1CN(CCNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CCO1 572171800 LYLDHVVFTDAJJG-ZDUSSCGKSA-N 383.412 -0.086 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1 574054068 SKRRXJUKTPDZJJ-GFCCVEGCSA-N 398.466 -0.516 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@H]4CCN[C@@H]4C3)CC2)c1C#N 591581793 VGKHRSYXNZLNAP-GDBMZVCRSA-N 385.472 -0.541 30 20 GBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 592913472 ZRHTWTCHYZRVIX-ZIAGYGMSSA-N 395.437 -0.125 30 20 GBED CC#CCCNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 682281887 HIXAOPAULMMSGT-UHFFFAOYSA-N 393.469 -0.369 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@H](O)COCc2ccccc2F)CC1 761032860 OTFQRBLTIWBBQY-INIZCTEOSA-N 385.461 -0.212 30 20 GBED CC#CCCCC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 767296828 HOWYCYNNGXWGTB-CQSZACIVSA-N 376.500 -0.159 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(C(=O)O)cc1 771892157 YMEZYSDHFRZDRY-UHFFFAOYSA-N 380.382 -0.515 30 20 GBED C[C@](C#N)(NC(=O)COC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1 785654583 GJSQGLMDRQFCEP-IFXJQAMLSA-N 392.456 -0.481 30 20 GBED C#CCN1CCN(C(=O)c2ccc(C(=O)N3CCN(CC#C)CC3)nc2)CC1 813451010 GVNPGPJLKSYYGU-UHFFFAOYSA-N 379.464 -0.136 30 20 GBED COC(=O)CN(CC#N)CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 821662516 GGRGQKGVXKHRCE-UHFFFAOYSA-N 395.383 -0.011 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CSC[C@H]2CCCCO2)CC1 831560893 KHCSDFZPFVMCKQ-CQSZACIVSA-N 375.516 -0.100 30 20 GBED CC#CC[C@H](CO)NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 844118540 PLJVMDLHPQZXHF-SECBINFHSA-N 382.218 -0.217 30 20 GBED C#CCNC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 921162659 KCMCFBJXVRWYIN-UHFFFAOYSA-N 394.391 -0.565 30 20 GBED C#CCOc1ncccc1C(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@H](OC)C1 946784574 UKZKWWBZXMZAEW-LXTVHRRPSA-N 386.408 -0.829 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@@H]1O 970707083 OGZZSJCRNXMKNF-WCVJEAGWSA-N 379.457 -0.332 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cn(C)c(=O)nc3O)[C@@H]2C1 972226591 AJXFBRLDOAULHM-GBOPCIDUSA-N 388.424 -0.250 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C 993631907 OPGHPMBHXGIJJZ-NHIYQJMISA-N 389.456 -0.313 30 20 GBED Cn1c(=O)ccn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2C#N)c1=O 1055235609 VIXGUOCEAFISNH-DYEKYZERSA-N 381.396 -0.865 30 20 GBED C#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 1070372734 DGNRBKKXSWQTFN-MYZZLAAOSA-N 376.501 -0.186 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(O)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1074732925 PRZKRDOVBLWWCH-XGUBFFRZSA-N 379.457 -0.441 30 20 GBED N#CCOc1ccc(NC(=O)C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)cc1 1116699887 UGPAEXZNQOZQFJ-ZDUSSCGKSA-N 381.410 -0.465 30 20 GBED COC(=O)C[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCC#N)c2)CCO1 1117383012 LQFPLJAWQQZMAV-OAHLLOKOSA-N 375.381 -0.004 30 20 GBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 1193892210 GEYJEKCOFQNADL-PSBWJHGTSA-N 387.436 -0.946 30 20 GBED C=C(C)CN(CC)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1220047464 ALFMACLIERBDNY-YUAHOQAQSA-N 395.500 -0.376 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(O)(CO)CC1 1261612546 WAEQVLJVAXGVPM-UHFFFAOYSA-N 377.397 -0.132 30 20 GBED CC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 1322919905 NJJWPWABTUVEDC-CYBMUJFWSA-N 399.455 -0.488 30 20 GBED C[C@H]1CCc2nc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)sc2C1 1324258317 JXKXHYXLZMZREZ-VIFPVBQESA-N 397.482 -0.022 30 20 GBED C#CC1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)CCCOC)CC2)CC1 1329456255 XWQUHFLWTNLGAX-UHFFFAOYSA-N 385.486 -0.631 30 20 GBED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCN3CC[C@@H](O)C3)C2=O)cc1 1329567538 KUCVFPLUTPMGPL-HZPDHXFCSA-N 385.424 -0.054 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CC[C@H](OCCOC)C1 1340359759 XAQWUWDJBIOFCI-ZDUSSCGKSA-N 390.444 -0.230 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN(C(=O)CCOC)CC2)C1=O 1346980807 ILESQEJKBCPKCY-HNNXBMFYSA-N 394.472 -0.625 30 20 GBED C#Cc1ccc(C(=O)NC[C@@]2(O)CCN(c3cnc(-c4nn[nH]n4)cn3)C2)nc1 1573288962 VXPWCFJYVCJNCH-SFHVURJKSA-N 391.395 -0.596 30 20 GBED C=CCn1cc(C(=O)NC[C@H]2CCCN(CC(=O)NCc3cnn[nH]3)C2)nn1 1575111321 DHADZYOQEKPFPS-CYBMUJFWSA-N 387.448 -0.660 30 20 GBED C=CCNC(=O)CN1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 1588659220 JIWFCWJLRHJHSD-UHFFFAOYSA-N 387.404 -0.219 30 20 GBED C=CCOCC(=O)NCCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 1588676203 QVJWMJJDHDVSQP-UHFFFAOYSA-N 387.448 -0.512 30 20 GBED CC#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588747879 YQNIPHVKSICTEO-LBPRGKRZSA-N 391.457 -0.563 30 20 GBED N#Cc1cc(C(=O)NCC#CCNC(=O)c2ccnc(-c3nn[nH]n3)c2)ccn1 1592685778 MXEMYLFSYOSLRM-UHFFFAOYSA-N 387.363 -0.308 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCO[C@H](CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1602724500 GGNDDFLQFVTBSE-CHWSQXEVSA-N 386.416 -0.854 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1602756380 MELOYWOCVUFXDT-QWHCGFSZSA-N 385.432 -0.438 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNc1nc(C)cc(-c2nn[nH]n2)n1 1602883759 JEZURFJUPJITBJ-OCCSQVGLSA-N 388.432 -0.211 30 20 GBED CN(C[C@H](O)CN1CCOCC1)C(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1604719718 HOIZHYKFJIEDNZ-IRXDYDNUSA-N 399.455 -0.300 30 20 GBED COc1cc(C#N)ccc1C(=O)N1CC(n2cc(-c3nn[nH]n3)c(O)nc2=O)C1 1605191406 RWZDFGRIIHMLRA-UHFFFAOYSA-N 394.351 -0.294 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@H]3C[C@H](C(=O)O)C3)C2=O)cc1 1608205257 YYAKVMLDMNNPFD-RBSFLKMASA-N 384.392 -0.245 30 20 GBED N#CC[C@@]1(O)CCN(c2nc(N3CC[C@@](O)(CC#N)C3)ccc2-c2nn[nH]n2)C1 1609494790 NEEFNAVBKOMDAR-ZWKOTPCHSA-N 395.427 -0.029 30 20 GBED N#Cc1cn(CCC(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)c(=O)nc1O 1625716577 MXFWJTUIQHLETN-VIFPVBQESA-N 387.318 -0.262 30 20 GBED CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)Cn1cc(C#N)c(O)nc1=O)C2 1636113760 ZRLCETUCAFUOSL-KBPBESRZSA-N 388.428 -0.980 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779086106 YZMGYEWVUNCZLR-KDOFPFPSSA-N 380.445 -0.983 30 20 GBED O=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)=NN1 1779136349 PHLGEJHPDYMCGV-ABQTWSPHSA-N 387.396 -0.596 30 20 GBED C=C(C(=O)N1CC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1)C(F)(F)F 1783203120 SZSIRDIYBUAMRR-NHYWBVRUSA-N 392.378 -0.472 30 20 GBED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2 1783903068 FJNCEBPEUUJKSU-SCLBCKFNSA-N 376.413 -0.782 30 20 GBED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1783923716 GDVVXRVFTRZLRH-WMZOPIPTSA-N 379.413 -0.264 30 20 GBED CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786696190 OUYZLSZDHKSDTP-IHRRRGAJSA-N 393.513 -0.246 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCC)NC(C)=O)C2 1793349788 JIKORRANVNILKB-SOVHRIKKSA-N 393.484 -0.081 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnn1C 1794228434 BMBTUXMSDPKKLQ-XPCVCDNBSA-N 378.433 -0.181 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)Cc2cccnc2)C3)CC1 1795409965 BULSJNSPWBOSRA-YVSFHVDLSA-N 383.452 -0.155 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nonc3c1)C2 1800778439 XMMFLPAXSMTRIJ-DPIQGUFMSA-N 384.348 -0.486 30 20 GBED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1807196314 UBXIIIPFVXJIOW-ADSMDIBLSA-N 393.513 -0.002 30 20 GBED CN(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1834940409 DSRBVIPERRYJQM-GUBFPNNNSA-N 395.504 -0.524 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1835362108 DQZKKLGRDJZHSJ-GOSISDBHSA-N 389.412 -0.997 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)n[nH]4)CCO3)C2)CCC1 1835860435 WODVFBCVIKMCTB-GOSISDBHSA-N 389.412 -0.121 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838806114 XIDQVANGKKNPCB-BDJLRTHQSA-N 385.442 -0.445 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)O)CCO2 1840026684 RCCFQUQUJPBQSU-KSSFIOAISA-N 384.429 -0.667 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1 1840171346 CDKVSPBMMZDSTP-PBHICJAKSA-N 388.486 -0.300 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840842974 MGCLHLLTCVVVIH-QGZVFWFLSA-N 391.384 -0.199 30 20 GBED C/N=C(/NCC(=O)N1CCCCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 261747695 LLDULQUVIRMJEC-GOSISDBHSA-N 378.477 -0.116 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 272850298 KZRQVQLKZCWONC-CQSZACIVSA-N 382.417 -0.037 30 20 GBED COC(=O)c1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cn1C 275740311 YQPYKRWIIXANAQ-UHFFFAOYSA-N 391.428 -0.175 30 20 GBED CCN(CCOCCO)C(=O)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 297923910 RUKZOAAYGULRGK-HNNXBMFYSA-N 376.413 -0.210 30 20 GBED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCO)cc1 298952915 SDJWIJBFYYMWAF-RGEXLXHISA-N 382.442 -0.064 30 20 GBED C[S@](=O)C1(C/N=C(/O)N2CCN(C(=O)CN3CCOCC3)CC2)CCC1 328619650 WEKXUMNRVLJQCH-SANMLTNESA-N 386.518 -0.322 30 20 GBED C[C@H](/C(O)=N/[C@@H]1CCCN(S(C)(=O)=O)C1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 329753869 WZCMMHJFSYUCDD-UQPQVDFHSA-N 399.469 -0.082 30 20 GBED CCS(=O)(=O)N1CCC(N/C(O)=N/C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 330634408 BNFCVHQMZYYAKT-KBPBESRZSA-N 390.506 -0.060 30 20 GBED CN(C1(CO)CC1)S(=O)(=O)c1ccccc1S(=O)(=O)N(CC#N)CC#N 349449535 LCXATHJSEINAJW-UHFFFAOYSA-N 398.466 -0.130 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 349476749 PQAABQGZKUAOSG-PKCACUDHSA-N 391.515 -0.371 30 20 GBED CC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)Nc2cccc(C#N)n2)C1 349610813 KRPJWEVQBZZFRB-UHFFFAOYSA-N 388.471 -0.128 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN2C(=O)OC[C@@H]2C1 366301428 XOAWPDWNXLTRDB-AAEUAGOBSA-N 378.410 -0.112 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(C#N)s1 435436560 FZUCFWUYMRFEPF-LLVKDONJSA-N 387.439 -0.311 30 20 GBED CCOC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 517959901 CBCXDMDPVDAVEQ-JTQLQIEISA-N 375.428 -0.282 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCN2CCC(O)CC2)cc1 520296593 VUIAATCZWICXFY-UHFFFAOYSA-N 380.470 -0.200 30 20 GBED C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC(=O)N1 571333518 OGOXJXAWTINHIV-WDEREUQCSA-N 378.410 -0.342 30 20 GBED CN(C)S(=O)(=O)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 596691220 XGEFFHHTUKIFFK-OAHLLOKOSA-N 383.449 -0.069 30 20 GBED CN(c1ccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1)S(C)(=O)=O 619709741 BFGNXJICQPRFBM-AWEZNQCLSA-N 388.471 -0.359 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758050221 PLCMACUFVKAKNE-UHFFFAOYSA-N 393.472 -0.213 30 20 GBED C#C[C@H](C)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 760518877 YXNBORSZMIAQIF-AAEUAGOBSA-N 395.437 -0.492 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N1CCC(C(=O)NCC(=O)OCC)CC1 783014309 XMYMELXUFXITMX-UHFFFAOYSA-N 389.474 -0.312 30 20 GBED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cnn(CC(=O)NC)c2)c1 783455083 LWFXQCMMELSEJF-UHFFFAOYSA-N 396.407 -0.354 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 785164393 KVEIASMTAUSFHV-UHFFFAOYSA-N 378.816 -0.019 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1)[C@H]1CCCO1 786129215 KXGXQHZLMBFGJP-IAGOWNOFSA-N 385.468 -0.253 30 20 GBED COC(=O)N1CCC[C@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 804010107 HREUWLDEDWORQU-NSHDSACASA-N 391.432 -0.398 30 20 GBED COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN(CC#N)CC(=O)O)C2=O)cc1 832265835 SZQUZWYHICCHNN-KRWDZBQOSA-N 389.368 -0.596 30 20 GBED Cn1cnc(S(=O)(=O)NCC(=O)O[C@H](C(=O)O)c2cccc(C#N)c2)c1 833057589 GIKXUDKYFUZVJC-AWEZNQCLSA-N 378.366 -0.061 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCO)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 1057725981 ZMLPSIRCTUEFPG-UGUYLWEFSA-N 381.473 -0.194 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1O 1077821771 FUFPOWAACMHWQS-HZMVEIRTSA-N 386.514 -0.046 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC3(CC2)[C@H](O)C[C@H]3OCC)nn1 1118178362 OFYCZCDCIKTSCY-HUUCEWRRSA-N 377.445 -0.141 30 20 GBED CC1CCN(C[C@@H](C)NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1118683192 QQYHIIKZPWOXOV-UVTIVQHFSA-N 391.472 -0.134 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCN1C(=O)CNC1=O 1323024840 BFSGQEZIYAKYCY-UHFFFAOYSA-N 387.396 -0.799 30 20 GBED COCCN1C(=O)c2ccc(C(=O)N3CC[C@](O)(CC#N)C3)cc2S1(=O)=O 1327169894 ADIOQVIXMYXQCD-QGZVFWFLSA-N 393.421 -0.032 30 20 GBED CN1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)[C@H](CNC(=O)OC(C)(C)C)C1 1328533729 RSVITVQPZLVLHZ-KGLIPLIRSA-N 395.460 -0.595 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1329098505 GMNCCYAFEOEVMA-CQSZACIVSA-N 393.444 -0.423 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N1CCCN(S(C)(=O)=O)CC1 1346211359 AXUALOPIUNVATE-UHFFFAOYSA-N 393.465 -0.191 30 20 GBED C=CCN(C(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1)[C@H](C)COC 1347529081 PYRVTTKEGFXJCX-IAGOWNOFSA-N 382.505 -0.441 30 20 GBED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCC2)CCO1 1555993488 PEWMMNLDQLJEBP-CHWSQXEVSA-N 381.458 -0.176 30 20 GBED N#Cc1cn(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)nn1 1559420299 MFTSLHFCOZTJFL-INIZCTEOSA-N 382.380 -0.339 30 20 GBED C=C[C@@](C)(O)CC(=O)N1C[C@H]2CCN(CC(=O)NCc3cnn[nH]3)C[C@H]2C1 1575072498 JDPGWVQBINXNDD-QWQRMKEZSA-N 376.461 -0.472 30 20 GBED C=CCOCC(=O)N1CCCO[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588671250 DRTFOFNUEVQMIH-ZDUSSCGKSA-N 389.416 -0.255 30 20 GBED CN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H](C(=O)O)C1 1598605287 YNSRVDOUJYXHDV-GFCCVEGCSA-N 394.453 -0.410 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[nH]n3)nn2)C1 1602724867 HMBSXSLGFRIUHJ-SJCJKPOMSA-N 386.416 -0.858 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC(=O)N(C)C 1741917951 KXXIJZLSTFPBAM-NSHDSACASA-N 383.478 -0.284 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1778128971 XESMDPORILKCTG-LWYAVPFISA-N 377.441 -0.554 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)cc1 1780695838 FURAEWHHQYNYGH-HXUWFJFHSA-N 396.451 -0.158 30 20 GBED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CNC(N)=O)CCO3)C2)c1 1782067769 VQGZHIQBRZXCIW-LJQANCHMSA-N 385.424 -0.022 30 20 GBED C[C@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1789877043 LGQOSRSJQQOHGP-OFLYOZOCSA-N 390.440 -0.187 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)ccc(O)c1F)C2 1800779454 GECNOMRIZPHCKY-PCCFMPIBSA-N 394.330 -0.038 30 20 GBED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)CN3CCOCC3)sc2C1 1814572603 QWJSGADNEXCCMB-NSHDSACASA-N 392.437 -0.525 30 20 GBED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1829847955 ADAABISFRUULBY-XLIONFOSSA-N 391.468 -0.229 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccno3)C2)C1 1831391514 PPIXTDVMOATNNL-KDOFPFPSSA-N 377.397 -0.217 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(=O)C3)C2)C1 1831402575 LADUGODWWYKPTI-IFXJQAMLSA-N 378.425 -0.540 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831499660 XZNGEYLXVJJKRB-DOTOQJQBSA-N 384.454 -0.515 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CS(C)(=O)=O)CCO3)C2)C1 1835249938 GDMXAQZBKWAGIY-KRWDZBQOSA-N 386.470 -0.546 30 20 GBED C#CC(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836050689 CETVSIVNHOMFFV-UHFFFAOYSA-N 384.440 -0.606 30 20 GBED Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)c1 1836202080 JHIDLMYGNBERNG-RHSMWYFYSA-N 382.486 -0.034 30 20 GBED C#CC(=O)N1CCC(OC2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1838510403 UFVQPUPXOGDUDA-UHFFFAOYSA-N 385.424 -0.179 30 20 GBED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839860843 QRYFCAAZQMQAGC-MRXNPFEDSA-N 389.399 -0.210 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1 1840171347 CDKVSPBMMZDSTP-RHSMWYFYSA-N 388.486 -0.300 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840355533 HRXLMNMCBJHAAP-SFHVURJKSA-N 390.444 -0.326 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1840842452 HDIBXOANILXDFE-DNVCBOLYSA-N 394.472 -0.436 30 20 GBED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2 1841608508 YDSVRQJSLFZOQZ-GFCCVEGCSA-N 375.362 -0.494 30 20 GBED C[C@@H](C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)[C@H]1SC(=N)NC1=O 1843409032 MAWBWXWRWIJEJA-BXKDBHETSA-N 378.410 -0.920 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)Cn1cncn1 1847262275 MAKPQQKEGWZCKU-PVPAMPSESA-N 386.456 -0.026 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 58580070 HFOQTQUEVXUSAS-CYBMUJFWSA-N 395.485 -0.144 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C[C@@H](C)O)CC3)CC2)o1 189399415 UUVCHPYXKYBVRA-CQSZACIVSA-N 376.461 -0.498 30 20 GBED CCOC(=O)CO/N=C(/C(=O)Nc1ccn(CCC(N)=O)n1)c1cc[nH]n1 277939862 ISIUMVFQHNIEAI-KGENOOAVSA-N 377.361 -0.596 30 20 GBED CC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CCO1 297999925 IUYYYJPESWIJBL-QGZVFWFLSA-N 399.451 -0.430 30 20 GBED COC[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C[C@@H](C)O1 298096759 NQEXTWGNALGMLE-GDBMZVCRSA-N 387.440 -0.136 30 20 GBED C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 299570119 ASEZWSDQUJWKIG-RRQGHBQHSA-N 393.465 -0.372 30 20 GBED CCN1CCN(C/C(O)=N/CCS(=O)(=O)N2CCSCC2)C(=O)C1=O 328847121 VRJPOUPKHDAYKU-UHFFFAOYSA-N 392.503 -0.988 30 20 GBED O=C([C@@H]1CCCN1C1CC1)N1CCN(C/C(O)=N/[C@@H]2CCS(=O)(=O)C2)CC1 330287707 BIZWVFMFZLPRJW-ZBFHGGJFSA-N 398.529 -0.099 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@]2(CCN(C)C2)C1 349505856 SNPFCSBMJJWWFP-CABCVRRESA-N 392.547 -0.092 30 20 GBED C=CCN(CCOC)C(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 410909532 LWKDZMLNAZVMCL-MRXNPFEDSA-N 396.488 -0.961 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCN(CC4CC4)CC3)CC2)c1C#N 459989693 LELQERQJZKZEBM-UHFFFAOYSA-N 399.499 -0.197 30 20 GBED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460718499 OSNHFFJADLQWTE-ZIAGYGMSSA-N 395.423 0.417 30 20 GBED COc1ccc(C(=O)N2CCN(C(=O)NCC(=O)NCC#N)CC2)c(OC)c1 511900117 DIXZMKNRYCUBQI-UHFFFAOYSA-N 389.412 -0.189 30 20 GBED CN(C)CC(=O)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 518037807 OWGOYSOTQVHISP-UHFFFAOYSA-N 392.481 -0.295 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)CCN3CCCS3(=O)=O)CC2)c1C#N 530522355 NIVYBJLBSMUERV-UHFFFAOYSA-N 380.474 -0.326 30 20 GBED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 539169363 DMBKBXCJSBOVOR-UHFFFAOYSA-N 396.473 -0.058 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CNC(=O)C3)CC2)cc1 543567109 ZHFIUIRSPSGVDI-AWEZNQCLSA-N 376.438 -0.036 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CCC(N)=O)cc1 573981461 QHLXBDQGDNJUFV-NSHDSACASA-N 388.471 -0.285 30 20 GBED COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](S(N)(=O)=O)C1 593574333 RIKYBSWTXFAHHW-NSHDSACASA-N 387.439 -0.214 30 20 GBED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 595130209 UIQAIOHXOSNXPV-TZMCWYRMSA-N 381.410 -0.176 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](O)[C@H]1CCCO1 600760698 LALHTRJJJFYJLJ-NWDGAFQWSA-N 389.455 -0.693 30 20 GBED N#CCN1CCC(NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 611562392 HLUZRYXFJZMRKJ-MRXNPFEDSA-N 399.517 -0.190 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(S(N)(=O)=O)CC2)cc1 728151024 PMARGFSDTCQQKP-UHFFFAOYSA-N 385.467 -0.509 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)c2cccc(Cl)c2)CC1 728608628 LGMPRZRSSZFKSD-UHFFFAOYSA-N 376.844 -0.037 30 20 GBED N#CC(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1CC(N)=O 765665567 JYEBYDMJLYARAR-UHFFFAOYSA-N 379.323 -0.164 30 20 GBED COCCNC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 784217652 TUWIDHANYVYIKW-NWDGAFQWSA-N 383.426 -0.081 30 20 GBED N#Cc1ncn(CC(=O)N(CCC(N)=O)Cc2ccccc2)c1-c1nn[nH]n1 826388168 LAALMCOIQMZRQW-UHFFFAOYSA-N 379.384 -0.161 30 20 GBED C[C@@H](CC(=O)N1CCC(O)(CN)CC1)/N=C1/NS(=O)(=O)c2ccccc21 842511792 CLJSRQULIPHMGW-LBPRGKRZSA-N 380.470 -0.184 30 20 GBED C#CCN(C)S(=O)(=O)CCCCS(=O)(=O)Nc1nc2ncccn2n1 848968768 JOFPQCYMZFRPHK-UHFFFAOYSA-N 386.459 -0.459 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc(C(N)=O)ccn2)[C@H](OC)C1 942818829 OCRNDSHLOGGALF-DMRZNYOFSA-N 388.424 -0.273 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@@H]1O 964193259 LEBVDPXVIVEESV-YVSFHVDLSA-N 379.457 -0.476 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nnn(CC)c2CC)C[C@@H]1O 970707602 SLAXCEASHLAZQA-UXOAXIEHSA-N 377.445 -0.247 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1n1ccnn1 990964121 ZMZFDBBGOKXERL-KBXIAJHMSA-N 386.416 -0.971 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@@]2(C)C1 993452351 DBAGDIPVYUXICF-SDFXEEBMSA-N 391.428 -0.413 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cc(C)nn2C)C[C@H]1O 1023960876 YFGGSWZWQIXSAI-VQHPVUNQSA-N 376.457 -0.060 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(c2nc(O)c3cnn(C)c3n2)C[C@@H]1O 1044670103 JIJRSQVMMKKSIT-ZZVYKPCYSA-N 388.428 -0.284 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@]1(C)CNC(=O)C1 1110841268 ZDEUHCHOEQKVBS-SDFXEEBMSA-N 377.445 -0.754 30 20 GBED C=CCN(C(=O)c1cc(N2CCNC(=O)C2)ccn1)[C@H]1CCS(=O)(=O)C1 1116741376 OUUWCIYLCAPZCY-AWEZNQCLSA-N 378.454 -0.167 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C=C)C[C@H]1c1cncn1C 1131072109 JTJXTHQBCQGEIZ-KONPQCLYSA-N 385.468 -0.355 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(OCC(N)=O)CC3)CC2)o1 1324187384 RNPYEGMQNPLVBH-UHFFFAOYSA-N 390.444 -0.530 30 20 GBED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1326228771 ZXKSFPCRDWCEBL-KXBFYZLASA-N 391.472 -0.981 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cccnc3O)CC2)c1C#N 1328890687 ASFKLBBXFXPEQT-UHFFFAOYSA-N 383.412 -0.334 30 20 GBED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)cn2)c1=O 1349894265 QNHBQFQNNMZMHT-UHFFFAOYSA-N 390.852 -0.143 30 20 GBED CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1552888501 UWJLZBMGQPQTPL-ABAIWWIYSA-N 399.452 -0.437 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCc2cnn[nH]2)nc1 1575032857 PAFWVWSUAPFJDE-OIISXLGYSA-N 379.424 -0.168 30 20 GBED CCS(=O)(=O)N(C)C1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1578414439 GRGOGJYHERQBFE-UHFFFAOYSA-N 377.434 -0.221 30 20 GBED C=CCN1C(=O)c2ccc(C(=O)N3CCS(=O)(=O)C[C@H]3C(=O)O)cc2C1=O 1588464541 ZIXOEXNXHJNBMN-ZDUSSCGKSA-N 392.389 -0.208 30 20 GBED CC(C)(C(=O)O)N1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1589623895 SMBMRKWKAWWHSB-YPKPFQOOSA-N 379.417 -0.297 30 20 GBED C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 1589943792 XDPJNIBPGXFRSG-XHDPSFHLSA-N 383.412 -0.046 30 20 GBED Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1726405941 JUZOAPQFVCDADZ-HNNXBMFYSA-N 394.501 -0.297 30 20 GBED COCC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1749614114 KKXGAVVNFKUAAF-RDTXWAMCSA-N 392.460 -0.083 30 20 GBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)N2CCN(C)CC2)C1 1780640757 IILAXSXLBYVOIA-MBOZVWFJSA-N 376.501 -0.231 30 20 GBED C[C@H](Nc1nccs1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561610 BTXZZQYLPFNQQQ-YVEFUNNKSA-N 392.437 -0.139 30 20 GBED N=C(N)SCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797837425 WWGJFQQTQADZQA-APBAFYQPSA-N 393.469 -0.085 30 20 GBED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=S)NCC 1800186958 ZPCYODABSXYLFJ-XOIINTDNSA-N 380.514 -0.137 30 20 GBED C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O)[C@H]1SC(=N)NC1=O 1801988296 GSZNIXXCVNGVAQ-GRZGAGJTSA-N 392.437 -0.485 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1830059684 IPPWGUGOLUCQCZ-SFHVURJKSA-N 392.412 -0.213 30 20 GBED COCCOCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831213682 ZFTAZFORDGYVFM-LJQANCHMSA-N 380.441 -0.481 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CSCC(=O)O)C3)C2)CC1 1835348463 YEWLTSYHTCQRCT-KRWDZBQOSA-N 397.453 -0.436 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1839216829 PPTCXSKLVNCUOD-KXBFYZLASA-N 377.441 -0.523 30 20 GBED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN)C3)C2)c1 1839420427 ILONXXQXXXUVFV-GOSISDBHSA-N 376.388 -0.274 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1839807191 ORLINELAPSKUEP-FQEVSTJZSA-N 395.419 -0.030 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1840160898 XHNJTYFUCONMKM-HWPZZCPQSA-N 398.441 -0.724 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1840841167 HBDCLPOJDIPFSP-IBGZPJMESA-N 388.424 -0.031 30 20 GBED C[C@@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1848071740 KIYFGEMSZPHIKV-AGIUHOORSA-N 375.516 -0.763 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCOC 255583895 WTHIVQADFIAZCD-UHFFFAOYSA-N 389.481 -0.243 30 20 GBED C/N=C(/NCCNS(=O)(=O)c1cccnc1)N[C@H]1CCc2nc(C)nn2C1 261826766 NZAIOOIGLSDQMX-ZDUSSCGKSA-N 392.489 -0.560 30 20 GBED NC(=O)CNC(=O)c1ccc(C/N=C(\N)N2CCN(c3ncccn3)CC2)cc1 264069266 FYEPCUAXLQUOQN-UHFFFAOYSA-N 396.455 -0.671 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)NC)o2)CC1 264127421 FYESRPSRNHPEEL-UHFFFAOYSA-N 382.442 -0.915 30 20 GBED C=CCNC(=O)CNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 272079053 SHIJEBCHEVYDPZ-UHFFFAOYSA-N 396.469 -0.191 30 20 GBED CCC(=O)N1CC[C@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 288454716 WKCUBSOXZZYLAQ-HNNXBMFYSA-N 384.440 -0.271 30 20 GBED CC(=O)N1CC[C@@H](N/C(O)=N/CCC(=O)N2CCN(c3ncccn3)CC2)C1 329974310 XHGXYZRDHCXSCG-OAHLLOKOSA-N 389.460 -0.360 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 332559724 VTUDHWDBZIJXOB-HOTGVXAUSA-N 379.457 -0.113 30 20 GBED CC(C)CN1CCN(C(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1=O 410799941 PJOHEWXQFQBIRT-UHFFFAOYSA-N 398.467 -0.071 30 20 GBED CCn1cc(C#N)c(=O)n(C[C@H](O)Cn2c(-c3ccccc3)noc2=O)c1=O 414105342 GOODDVCMXRZTSB-CQSZACIVSA-N 383.364 -0.221 30 20 GBED N#CCCC[C@@H](N)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 424087146 FBHRKWTYOARGHH-CQSZACIVSA-N 379.442 -0.233 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CC(=O)NC[C@@H]2C(=O)OC)c1 468660018 QFTAZKMMEKMSPT-CYBMUJFWSA-N 381.410 -0.736 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1[C@H]2COC[C@H]21 517247314 KKZOWDYMOFEKPN-JYAVWHMHSA-N 396.450 -0.352 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@@H]1CCOC1 532756582 HTKHXZGHVMREEH-ZDUSSCGKSA-N 399.476 -0.515 30 20 GBED CCOC(=O)C(NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC 561156559 AWQIIVIUFBTTFM-UHFFFAOYSA-N 397.409 -0.552 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)NCC1(O)CCC1 583575503 IFFDBEWURPALPT-UHFFFAOYSA-N 398.466 -0.082 30 20 GBED C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)nn1 644785588 UBGRGLGYWUDHFA-UHFFFAOYSA-N 394.457 -0.247 30 20 GBED C[C@@H](C#N)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 735504983 PSSCOGPLCBOVEJ-NSHDSACASA-N 375.414 -0.141 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(CC(N)=O)CC1 764654759 NYZQQVYUOFTZNN-LBPRGKRZSA-N 393.469 -0.709 30 20 GBED COC(=O)C1(O)CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 770253203 XMKJHSQKCDLPSN-UHFFFAOYSA-N 381.410 -0.748 30 20 GBED CCN1CCOC[C@H]1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 775002868 SSKBRAIFWOMYFZ-HNNXBMFYSA-N 391.428 -0.233 30 20 GBED C#CCN1CCN(C(=O)CN(CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C)CC1 781351889 RCTNQIUEWBNWPP-INIZCTEOSA-N 394.516 -0.068 30 20 GBED C=CCS(=O)(=O)CCNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 783541992 LZNAKTHLDJMXNF-UHFFFAOYSA-N 389.474 -0.217 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)C1 965389826 ZGQPMYCZPVLUMS-KBXIAJHMSA-N 377.441 -0.471 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc3n(n2)CCO3)C1 967262382 JQGXPGTZWQLTLN-GUSZCTEKSA-N 390.440 -0.052 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)nc2OC)C[C@H]1O 1023942162 NMJSAFPMLXUBSE-MYPMTAMASA-N 378.429 -0.289 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)co2)C1 1025668536 AAHJKCFZNNVTBJ-SYQHCUMBSA-N 377.397 -0.339 30 20 GBED COc1ccccc1CCNC(=O)CNC(=O)C(=O)Nc1cnn(CC#N)c1 1116892476 FWZNAYCOHCFLPZ-UHFFFAOYSA-N 384.396 -0.171 30 20 GBED CN1CCN(CCCNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 1117634871 DOXDTCWGCOHDHW-UHFFFAOYSA-N 396.455 -0.169 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1c1cncn1C 1131031373 MJLRSVRILGNTJK-GXAQHZSOSA-N 399.495 -0.131 30 20 GBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 1194624627 BZPNMNLOKCIYLQ-WCLQXYBISA-N 383.448 -0.363 30 20 GBED N#Cc1ccc(S(=O)(=O)CCS(=O)(=O)Cc2ncnn2CCF)nc1 1327218389 FDBRELMRAABMCV-UHFFFAOYSA-N 387.418 -0.097 30 20 GBED C=CCN(C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2)[C@H](C)COC 1330376217 ZQGHYKATTYYHGN-CQSZACIVSA-N 379.461 -0.063 30 20 GBED C=CCn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1[C@]1(C)CNC(=O)C1 1342026428 MUCGYYJDJKDNHB-IBGZPJMESA-N 387.488 -0.358 30 20 GBED C=CCn1c([C@H]2SCCNC2=O)nnc1N1CCN(CC(=O)N(C)C)CC1 1351574826 YAAYJLRNGRRPFH-CQSZACIVSA-N 393.517 -0.422 30 20 GBED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCN(C)C1 1508412358 PVIQKKRPHRDUJC-WWGRRREGSA-N 399.521 -0.449 30 20 GBED C=CCn1cc(C(=O)N(C)C[C@H](C)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 1573348043 LTKJMKVOMYWCHS-JTQLQIEISA-N 384.404 -0.137 30 20 GBED N#CCN1CCN([C@@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C(=O)C1 1581857763 IQTQBWBNVQMICR-GFCCVEGCSA-N 383.416 -0.533 30 20 GBED C#CC[C@H](COC)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1588333908 IKCZSRFSGWCPKB-WCQYABFASA-N 392.441 -0.312 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)CCO1 1588358167 UJPNNUDHVBHZIP-OLZOCXBDSA-N 386.416 -0.675 30 20 GBED COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC(=O)N(C)C[C@H]1C(=O)O 1598918752 LARWIYXEKNRCLN-NSHDSACASA-N 381.366 -0.739 30 20 GBED Cn1c(=O)[nH]c(N2CCCN(c3ccccc3C#N)CC2)c(-c2nn[nH]n2)c1=O 1606202055 IDHRSEGEHQITAF-UHFFFAOYSA-N 393.411 -0.158 30 20 GBED CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)Cn2cc(C#N)c(O)nc2=O)cn1 1634490695 JQHYTUKSNIZYPM-CEXHIMGSSA-N 390.425 -0.631 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ncnn1C)CCO2 1781265965 YTRNLHSZFTYLAR-SFHVURJKSA-N 391.428 -0.232 30 20 GBED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1 1788646606 ZBKOYTQCCJTSKE-JKQORVJESA-N 394.472 -0.834 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2 1793361269 LQQMLEKOEVLVGY-AFIMGQEJSA-N 390.440 -0.576 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c(C2CC2)c1F 1794483782 WQCJEGSPTXLOER-QHBPRCKVSA-N 390.371 -0.283 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccn1)C2 1795597974 NHYUDBOWBUMHFS-MIFYACCESA-N 386.456 -0.038 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1C[C@H]2C[C@@H]2C1 1797633531 XIWFARXHXUFPLM-DHSBUKHISA-N 389.496 -0.046 30 20 GBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1C(N)=O)C2 1800982871 USGZNTZTQFDASC-KQXIARHKSA-N 378.454 -0.298 30 20 GBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1800989231 GOMFYKNQCJNSHM-SDNRWEOFSA-N 383.392 -0.427 30 20 GBED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1800992038 CFKTZTFJHLVFGM-FVCICTRLSA-N 398.423 -0.576 30 20 GBED C[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 1802285645 ONPAARXGHUYOES-FQUUOJAGSA-N 389.543 -0.327 30 20 GBED N#CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](O)N2CCOCC2)n[nH]1 1819444143 RMLKLOFRYOHMMO-DYVFJYSZSA-N 376.417 -0.034 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC[C@H](N)C(N)=O)C3)C2)C1 1829667010 QHINBDJQSUMOFJ-HNAYVOBHSA-N 394.472 -0.998 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)C(C)(C)C)CCO2)C1 1830616079 FZRSOQRZOAQMOQ-JXXFODFXSA-N 396.484 -0.112 30 20 GBED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CNC(=O)O2)CC1 1831665094 SIEGFSQJQIFDQJ-KGLIPLIRSA-N 377.397 -0.198 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[nH]n3)CCO2)C1 1831758277 KAPDXAPWMJJULP-KBXCAEBGSA-N 376.413 -0.482 30 20 GBED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1836346951 DADQCGRGSISAEQ-FQEVSTJZSA-N 395.419 -0.074 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839664745 GNTLBZLLCYFJBT-CXAGYDPISA-N 396.469 -0.982 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1840157339 LQWMVEOQVDAEPY-DCGLDWPTSA-N 385.486 -0.713 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1840170751 XWTGEPHNSRMGIF-IBGZPJMESA-N 389.456 -0.072 30 20 GBED Cn1nccc1C=c1sc(=C(C#N)C#N)n(-c2ccc(C(N)=O)cc2)c1=O 255868334 MTUPWYTYLPNRSC-UHFFFAOYSA-N 376.401 -0.242 30 20 GBED CN(C)C(=O)C/N=C(\NCC(=O)N(C)C)N[C@@H]1CCO[C@]2(CCSC2)C1 262282089 JGNXEOHXTNWPAS-CXAGYDPISA-N 385.534 -0.247 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CCn2nnc3ccccc3c2=O)CC1 264216325 XAHBXLQRNRUFCR-UHFFFAOYSA-N 396.451 -0.535 30 20 GBED N#C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCO1 264408181 QNYFYMARANZKIT-OAHLLOKOSA-N 396.444 -0.117 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](CO)c1cnn(C)c1 272345723 NSFQEZATMMNGGO-NHYWBVRUSA-N 377.426 -0.192 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCC(C(=O)N(C)OC)CC1)c1cc[nH]n1 298300828 PQFKTMNPFRXKHL-HMMYKYKNSA-N 395.416 -0.048 30 20 GBED O=C(CN1CCOCC1)N1CCN(/C(O)=N/[C@H]2CCCn3ncnc32)CC1 328620556 WZQHSNOWLIDICU-AWEZNQCLSA-N 377.449 -0.497 30 20 GBED O=S(=O)(N1CCOCC1)N1CCN(/C(O)=N/[C@@H]2CCCSC2)CC1 330135304 SMFLZGUVKTWFPU-CYBMUJFWSA-N 378.520 -0.009 30 20 GBED CN([C@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 349520717 KPCQSKOFNCMDBI-QWHCGFSZSA-N 397.544 -0.302 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CCCOCC2)nc1 349527404 VXZLLXHARDFJAA-UHFFFAOYSA-N 388.471 0.137 30 20 GBED N#C[C@H]1CC[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2ccc(O)nn2)C1 349571142 FOXWRKWCBLRJAT-WDEREUQCSA-N 389.459 -0.074 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C(=O)NCC(C)(C)CC#N)CC2)CC1 459264368 ZBHCQTKOUXRORI-UHFFFAOYSA-N 386.522 -0.254 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)CC=C)cc1 538591404 SITVPSVKRJZOEV-UHFFFAOYSA-N 394.453 -0.150 30 20 GBED Cn1cc(S(=O)(=O)N2CCC(C#N)(c3ccccn3)CC2)c(=O)n(C)c1=O 562741971 WRRLUOBMQBEHFX-UHFFFAOYSA-N 389.437 -0.275 30 20 GBED COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 572855745 KUKFMPNUWAXOSN-SNVBAGLBSA-N 375.428 -0.330 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)N2CCCC[C@H]2CNS(N)(=O)=O)cc1 597737226 QFWCQBNSADOJSH-AWEZNQCLSA-N 379.442 -0.538 30 20 GBED COCCN(CCC#N)C(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 610987712 VMPXXFZXHDMGPK-UHFFFAOYSA-N 382.398 -0.369 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCCN3S(C)(=O)=O)CC2)c1C#N 615966496 RAFFWJIWQZCDDY-AWEZNQCLSA-N 380.474 -0.327 30 20 GBED C#CCNC(=O)C1CCN(C(=O)NCCS(=O)(=O)NCC2CCC2)CC1 731685701 CMZIQNQAZANQRZ-UHFFFAOYSA-N 384.502 -0.123 30 20 GBED COc1cc(C)c(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)cc1OC 751553693 PXAGUUHYVKNKNX-UHFFFAOYSA-N 384.417 -0.253 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 803861882 LTINOUPKHRQTBD-HWPZZCPQSA-N 398.441 -0.159 30 20 GBED C#CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N=c2nc(C)[nH]n2C)cc1 848941293 LWGPTAIKCXTMLS-UHFFFAOYSA-N 397.482 -0.010 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cncc(OC)n2)C1 963057206 AKVAFDNULQWPDD-RZFFKMDDSA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@@H]1O 964610564 HWEIXOXYTYOHMR-NDBYEHHHSA-N 377.397 -0.339 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C(C)(C)C)nn2)C1 967158820 LOFOWYUCVNWRNY-UXOAXIEHSA-N 377.445 -0.074 30 20 GBED N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2ccc(O)nc2=O)[nH]1 1002085169 ALOLXAYOLMYIEN-BNOWGMLFSA-N 382.380 -0.289 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@H]1C 1093048507 JYJMKEDNGXVRDJ-JEWRLFTDSA-N 392.500 -0.390 30 20 GBED C#CCNC(=O)CNCc1cn([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 1098690399 NFXHFFLDFCSRLA-PITCONLNSA-N 398.467 -0.686 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCCOCC 1110163259 WGJFDJQKTGQVBJ-ILXRZTDVSA-N 382.461 -0.227 30 20 GBED CN(CCOCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)c1cncc(C#N)n1 1115272465 GPIHTALUWIOAKC-JLJPHGGASA-N 375.429 -0.031 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NCc1ccn2ccnc2c1 1258383750 OPRIHIGHBQTCRX-FOCLMDBBSA-N 382.380 -0.407 30 20 GBED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H](CC#N)C2)cn1 1261603043 IKMCMQKPNQZZPN-AWEZNQCLSA-N 389.460 -0.348 30 20 GBED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NC[C@@H]2COCCO2)CC1 1321710007 QCUCBBFJCODZMX-CYBMUJFWSA-N 389.412 -0.396 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1nn(CCS(=O)(=O)CC)cc1C 1326834010 JSXPNOHKBXHZKY-ZDUSSCGKSA-N 384.458 -0.545 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)CC1 1332376207 ICSSJVYZCSKSJF-INIZCTEOSA-N 392.500 -0.414 30 20 GBED C#CCCN(CCOC)c1nnc(-c2cn(C)c(=O)n(C)c2=O)n1CCOC 1341186963 HHPXMLWXGYURKE-UHFFFAOYSA-N 390.444 -0.535 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC(N(C)S(=O)(=O)CC)CC1)[C@H]1CCCO1 1343082176 XYAJCLGCQGHWFL-LSDHHAIUSA-N 385.486 -0.444 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCN1CCc2ccccc2C1 1345019918 VRIHPMWDLPUDBH-UHFFFAOYSA-N 379.482 -0.122 30 20 GBED C#CCN1CCC(C(=O)NCC[C@H](C)N[C@@H](C)C(=O)NCc2cnn[nH]2)CC1 1574966899 KOSCTJFFRFRIPJ-GJZGRUSLSA-N 389.504 -0.361 30 20 GBED C[C@@]1(CNC(=O)CCOCc2cnn[nH]2)CN(c2cnc(C#N)cn2)CCO1 1575979796 NBLUHAHDXHDPQT-QGZVFWFLSA-N 386.416 -0.215 30 20 GBED N#CCSCC(=O)N1CC[C@@]2(CCCN(CC(=O)NCc3cnn[nH]3)C2)C1 1577710024 MDQQZIFJGCSPSJ-QGZVFWFLSA-N 391.501 -0.008 30 20 GBED N#Cc1cnc(N2CC[C@@](O)(CNC(=O)c3ccc(-c4cnn[nH]4)cn3)C2)cn1 1577719245 NDLJCRACZODDHM-GOSISDBHSA-N 391.395 -0.100 30 20 GBED N#Cc1cncc(N2CCO[C@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 1581882999 GRXDSXDMHLPNFY-LLVKDONJSA-N 380.372 -0.508 30 20 GBED C#CCN1CCC(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)C2)CC1 1588352337 ZLBVPJOGBMRYBM-OKILXGFUSA-N 381.444 -0.517 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3cc(C)ncc3-c3nn[nH]n3)C[C@@H]2O)cn1 1588370276 XODOBRNNGCHDJU-WBVHZDCISA-N 390.407 -0.074 30 20 GBED C#Cc1ccc(C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nn[nH]n4)nn3)C2)nc1 1588371658 PEOHZLOVKGRSLX-SFHVURJKSA-N 391.395 -0.596 30 20 GBED C=CCOCC(=O)N1CC2(C[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CO2)C1 1588667370 XLQKWAVVVXYGOG-LLVKDONJSA-N 387.400 -0.503 30 20 GBED C=CCn1cc(C(=O)NC[C@@H](C)N(C)c2nc(C)cc(-c3nn[nH]n3)n2)nn1 1588713395 KYSVHTBOGQRRPD-LLVKDONJSA-N 383.420 -0.003 30 20 GBED C[C@H](NC(=O)COC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N(C)C 1589923003 FKKPIBCFSVJSPK-FZMZJTMJSA-N 399.411 -0.315 30 20 GBED Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)OCC(=O)NCCC#N)CC2)o1 1609446327 XOHKUBBMNOQBNS-UHFFFAOYSA-N 388.388 -0.047 30 20 GBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)N2CCN(C)CC2)C1 1780640758 IILAXSXLBYVOIA-SQGPQFPESA-N 376.501 -0.231 30 20 GBED CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1782649623 NWRCURGSZLMOQQ-SFHVURJKSA-N 393.513 -0.006 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3ccccc13)CCO2 1783561975 UQSFEIAKIYLHKU-LJQANCHMSA-N 382.376 -0.134 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3)CCO2 1783566178 QWDAJHIALKMHNM-HXUWFJFHSA-N 397.387 -0.287 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1784503703 HHXRYHCDTNWFOH-OSFYFWSMSA-N 378.429 -0.567 30 20 GBED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1786706098 ODGUIRNAXPCYTB-IHRRRGAJSA-N 389.412 -0.156 30 20 GBED CC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788603499 HISNULNKBKYHGX-NWQJETKOSA-N 393.488 -0.426 30 20 GBED COC(=O)CSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793258682 NFBXPFVLJQWXMH-ZSBFGKGUSA-N 380.466 -0.104 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1794084348 MIPCGBHSCUPOFI-FQUUOJAGSA-N 376.413 -0.785 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnnn1 1795859779 XMOVGAHATFXOJM-XPCVCDNBSA-N 379.421 -0.936 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(C)=O 1800535683 WKJMKJIQVVJMEQ-FAYQHZLMSA-N 395.456 -0.390 30 20 GBED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)n1ccnn1 1830061392 ATQXHGXDIYDMHT-KDOFPFPSSA-N 390.444 -0.155 30 20 GBED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1831213644 YGKQMVQCMGSFMF-OAQYLSRUSA-N 399.447 -0.282 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834321451 IZTXTZNBMQXJDB-KXBFYZLASA-N 390.440 -0.472 30 20 GBED C/N=C(/NC[C@H](O)C(F)(F)F)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261714086 HOSQDTJGDPUERW-NSHDSACASA-N 399.395 -0.379 30 20 GBED C/N=C(/NCCS(=O)(=O)N1CCSCC1)N1CC[C@H](N2CC=CC2)C1 262813280 VXIGMFANTFZHLZ-HNNXBMFYSA-N 387.575 -0.114 30 20 GBED CCN1CCN(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C(=O)C1=O 272777228 DZKVJMFKYCWNMD-INIZCTEOSA-N 397.435 -0.139 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CC[C@H](C)S(=O)(=O)CC1)c1cc[nH]n1 278378402 SSAWEFPBIJUKNU-KEVMXDQOSA-N 386.430 -0.271 30 20 GBED C[C@H]1CN(S(=O)(=O)N2CCN(C(O)=Nc3cnn(C)c3)CC2)C[C@@H](C)O1 329480026 VIGNKRWERLUNQA-BETUJISGSA-N 386.478 -0.063 30 20 GBED CC(C)N1CCO[C@H](CN2CCN(/C(O)=N/[C@H]3CCS(=O)(=O)C3)CC2)C1 329615302 DDSBRRFOWMGYRV-JKSUJKDBSA-N 388.534 -0.186 30 20 GBED C[C@H](/N=C(/O)[C@H]1COCCN1CC(F)F)C(=O)N1CCS(=O)(=O)CC1 329961296 ONEURXMKHOXCHC-WDEREUQCSA-N 383.417 -0.446 30 20 GBED N#CCCn1ccc(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)n1 331675613 XOJARSBPYXYBOD-UHFFFAOYSA-N 375.433 -0.195 30 20 GBED N#Cc1ccc(CCC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 331995245 ZXHSQZMKEPFLCA-IAGOWNOFSA-N 377.466 -0.207 30 20 GBED Cc1cccc(NS(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)n1 349454448 GTGQJCQFGXJASR-UHFFFAOYSA-N 388.471 -0.188 30 20 GBED Cc1nc(=NS(=O)(=O)CCCS(=O)(=O)NCC(C)(C)C#N)n(C)[nH]1 349549555 HCMFCZNMCMMJNA-UHFFFAOYSA-N 378.480 -0.854 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)CCO1 409484698 HRBMWHNKQUKUGQ-OGHNNQOOSA-N 387.421 -0.199 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 409561018 FOSOXYXYQKOPOV-CYBMUJFWSA-N 387.487 -0.276 30 20 GBED CCCN1C[C@H](CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1=O 422609567 XBMIVWUNRLCXBP-INIZCTEOSA-N 398.467 -0.023 30 20 GBED C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C[C@H]1CN 423544026 NUXOIAJDJXDOPB-RBSFLKMASA-N 385.472 -0.171 30 20 GBED C=CCC[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 456751952 ALKXZUMOBRIREN-AWEZNQCLSA-N 381.454 -0.136 30 20 GBED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@]2(C#N)CCOC2)c1 478658387 VISFLALZCQUJFO-INIZCTEOSA-N 380.426 -0.534 30 20 GBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 480480645 HSJPHKXSAFTNQK-NSHDSACASA-N 394.496 -0.151 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(CCCO)C2)c1 570594757 FRPCGTKTDLWEIZ-HNNXBMFYSA-N 380.470 -0.200 30 20 GBED COC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(C#N)n1 573842337 ZYGASMFLXCZAGG-UHFFFAOYSA-N 387.396 -0.753 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NCC)cc21 646952591 CUSPJUGBATZBRY-CQSZACIVSA-N 393.465 -0.236 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 685174976 XVRQZSVCISJASK-CZUORRHYSA-N 388.472 -0.203 30 20 GBED CC(=O)N1CCN(C(=O)CCNC(=O)NCCNc2ncccc2C#N)CC1 730827642 MJOBPXJWJSJHIC-UHFFFAOYSA-N 387.444 -0.255 30 20 GBED Cn1c(N)c(C(=O)COC(=O)Cc2ccc(OCC#N)cc2)c(=O)n(C)c1=O 732363715 JSLASFZQXUIYPY-UHFFFAOYSA-N 386.364 -0.463 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)CC1 733150766 TZFMIBXTYBYSFB-INIZCTEOSA-N 398.529 -0.668 30 20 GBED N#CCCNC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734041385 YHQOVEOIRWKRRE-NSHDSACASA-N 394.409 -0.740 30 20 GBED C[C@H](CC(=O)NC[C@@H]1CN2CCN1CC2)/N=C1/NS(=O)(=O)c2ccccc21 746915159 RDAWPTWRLXUWSO-ZIAGYGMSSA-N 391.497 -0.380 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCNS(C)(=O)=O 766344297 YTMKZXXIBJLXAO-JTQLQIEISA-N 375.428 -0.683 30 20 GBED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NCCNc2ncccc2C#N)C1 785395237 GPDKTFALTPVXPR-INIZCTEOSA-N 388.472 -0.046 30 20 GBED COCCN(CCC(=O)OC)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 810436509 JAZXTSWGMYNASE-UHFFFAOYSA-N 383.426 -0.125 30 20 GBED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CNC[C@@H]2C#N)C1 834500326 SBGUTNOQNWHXQR-MELADBBJSA-N 380.474 -0.345 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CC1CC1 853471547 AWTIXGUDQHOGSU-UHFFFAOYSA-N 386.477 -0.076 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 875596897 VSWYESXQDGVOLO-HZPDHXFCSA-N 378.473 -0.704 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@@H]1CC 984946882 NWMNECJUIRVZSY-TWMKSMIVSA-N 392.500 -0.105 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCN(CC(=O)N3CCNC(=O)C3)C[C@H]21 1084715374 CVSYRNTVYMRFDZ-OLMMMNRUSA-N 390.484 -0.541 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@]1(C)CCNC1=O 1111016300 DILLMTPDZXMDES-BKEDOTJMSA-N 375.473 -0.004 30 20 GBED CC#CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1117881096 UEGOZRBOPKRUIC-UHFFFAOYSA-N 388.449 -0.127 30 20 GBED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1 1117886458 FNQMYOCLAIHKOR-QGZVFWFLSA-N 398.467 -0.316 30 20 GBED C[C@]1(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC(=O)N1 1118079242 ATYIVQVZUUTDIU-FOIQADDNSA-N 397.435 -0.045 30 20 GBED N#CC1(CNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCOCC1 1123678675 TVVLPLNPUTURRO-UHFFFAOYSA-N 379.461 -0.507 30 20 GBED CC(C)(CNC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1)NS(C)(=O)=O 1258355755 YZJLWOCAIFOTIQ-UHFFFAOYSA-N 394.453 -0.408 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCOC1 1319392462 ZKISUQXBKJNPNP-ZDUSSCGKSA-N 399.476 -0.515 30 20 GBED N#Cc1ccc(NC(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 1319638595 ZTWYUKZHIBARSX-HOTGVXAUSA-N 378.454 -0.728 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)N3CC[C@H](S(N)(=O)=O)C3)CC2)nc1 1321214161 UCSUYDHLONMCRT-AWEZNQCLSA-N 378.458 -0.006 30 20 GBED C#CCNC(=O)C1CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 1321774649 KPYFQIXRRIXXEG-UHFFFAOYSA-N 397.457 -0.735 30 20 GBED C[C@H](NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(C)(C)CN(C)C 1322961799 JKIGIKBCDZNUJS-VCHHOEMESA-N 379.461 -0.279 30 20 GBED C=CC1CCN(C(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 1324884721 AMUKCNNYQJSEMJ-UHFFFAOYSA-N 390.440 -0.769 30 20 GBED C=CC1CCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 1324885635 IQDLAEWCVYJHTR-UHFFFAOYSA-N 376.457 -0.296 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(C)nn2-c2ncccn2)CC1 1325267245 CYUXKOMLTBFFIB-UHFFFAOYSA-N 395.423 -0.103 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCCN2CCC[C@@H]2C1 1326907284 RSEKTOCAMYIYIT-UONOGXRCSA-N 378.520 -0.292 30 20 GBED C[C@H](CC(=O)N1CCC(O)(CO)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1328408760 MUBGSZPADLFEKQ-GFCCVEGCSA-N 381.454 -0.151 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCN(CCOC)CC1 1340235158 RAMNEXRMOHBNNL-UHFFFAOYSA-N 389.460 -0.703 30 20 GBED C=CCn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1[C@@]1(C)CNC(=O)C1 1342026429 MUCGYYJDJKDNHB-LJQANCHMSA-N 387.488 -0.358 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)CN3CCCCS3(=O)=O)CC2)c1C#N 1523176033 ZTJBGXDACFVFFY-UHFFFAOYSA-N 380.474 -0.326 30 20 GBED C#CCCCCn1c([C@H]2CCCNC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1574545049 MEZOOPJQFLTLGY-JKSUJKDBSA-N 399.499 -0.304 30 20 GBED C=CCn1cc(C(=O)N(C)[C@@H](C)CNC(=O)[C@H](C)OCc2cnn[nH]2)nn1 1575112814 ZALRJFSJKRGQKN-RYUDHWBXSA-N 376.421 -0.236 30 20 GBED CC#CCCCC(=O)NC[C@H](O)CNC(=O)C1CCN(Cc2cnn[nH]2)CC1 1575118469 YXMHJRNEABDAAA-KRWDZBQOSA-N 390.488 -0.196 30 20 GBED C[C@@H](OCc1cnn[nH]1)C(=O)NC[C@@]1(C)CN(c2cnc(C#N)cn2)CCO1 1575855927 XLPVQDCHWPLYDK-PXAZEXFGSA-N 386.416 -0.217 30 20 GBED N#CCNC(=O)CNC1(CNC(=O)c2ccc(OCc3cnn[nH]3)cc2)CC1 1577706281 AWOMTWVNSLMZDW-UHFFFAOYSA-N 383.412 -0.125 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(c3ccncc3-c3nn[nH]n3)C[C@H]2O)c1 1581862484 DIFAFQOJVUKANJ-IUODEOHRSA-N 379.384 -0.169 30 20 GBED N#Cc1ccc(N2CCOC[C@H]2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)nn1 1581871190 KUZBCLOKZIIGGD-GFCCVEGCSA-N 380.372 -0.508 30 20 GBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H](O)C2)cn1 1581871309 PJEVUPIEVREQTE-UKRRQHHQSA-N 379.384 -0.169 30 20 GBED C#Cc1ccc(C(=O)N(C)C[C@@H](O)CNc2cncc(-c3nn[nH]n3)n2)nc1 1588365473 VBFBSMLHBXGZNE-LBPRGKRZSA-N 379.384 -0.422 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N[C@H]1CCN(c2sccc2C(=O)O)C1=O 1588693320 WIGIANCGUYDUQR-ONGXEEELSA-N 381.410 -0.015 30 20 GBED C[C@H](NC(=O)C#CC1CC1)[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1589911778 FAEPSZLHSASTMT-XHDPSFHLSA-N 383.412 -0.046 30 20 GBED C#CC[C@@H](COC)NC(=O)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 1602698130 ZIWBHMQUTMCLEO-ZDUSSCGKSA-N 398.427 -0.935 30 20 GBED C#CCN1CCC(C(=O)NCCCN(C)c2ccnc(-c3nn[nH]n3)n2)CC1 1602717789 BKCXQRVNXNYEHV-UHFFFAOYSA-N 383.460 -0.056 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O 1602727486 OJMXPBUHMBWHDV-IUIKQTSFSA-N 388.403 -0.295 30 20 GBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O 1602729184 IIGGUVDWYZARFU-HZPDHXFCSA-N 388.403 -0.293 30 20 GBED C=CCOCC(=O)N1CC[C@]2(C1)CN(c1ccnc(-c3nn[nH]n3)n1)CCO2 1602868593 QMTANGPQUDZQQL-QGZVFWFLSA-N 386.416 -0.333 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H]2C(=O)NCC(=O)O)CC1 1603711653 GUGZMBUUBOVLJB-GJZGRUSLSA-N 379.461 -0.656 30 20 GBED C#CCCCNC(=O)C(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1609020599 WEMMCPOZVPKFJL-UHFFFAOYSA-N 382.428 -0.124 30 20 GBED Cc1nc(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)n[nH]1 1612424701 VCOMQTFZICXFOD-CYBMUJFWSA-N 385.432 -0.202 30 20 GBED C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)N(C)C 1741856338 NGVUHFPFAMLNJW-HZSPNIEDSA-N 382.490 -0.141 30 20 GBED COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1779315543 DHFASPIYDRQPCF-KDOFPFPSSA-N 378.429 -0.729 30 20 GBED C[C@@H](NC=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1781245787 VERZQKAMPBQVTK-RDTXWAMCSA-N 379.461 -0.767 30 20 GBED Cc1nc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)no1 1782010842 HTYVAFZDGMJCNK-FZKQIMNGSA-N 390.396 -0.478 30 20 GBED CCN(CC)C[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782702252 IMZRKDNIUITQCL-HNAYVOBHSA-N 379.457 -0.118 30 20 GBED CN1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)CC1 1786702609 DFRXFVRRXNHRSW-ULQDDVLXSA-N 377.489 -0.483 30 20 GBED CN(C)C(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786857846 GRYLXGJPIJAKED-KKUMJFAQSA-N 393.488 -0.664 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1791259028 LSWRTYBCICVJHT-GMOBBJLQSA-N 382.442 -0.201 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)COC)C2 1792484424 GJURGTLEYBYRIF-NZHKVURLSA-N 379.457 -0.283 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(C)(C)O)C2 1792485978 ZOISFHLKSVKDLO-IDZYNVOGSA-N 379.457 -0.405 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1793819927 GKMDOBVCGHJCFF-OQMKEHIESA-N 384.502 -0.912 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccn1)C2 1795598447 GIHSBMLDWMMELC-SCAQPMJSSA-N 388.472 -0.245 30 20 GBED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2C[C@H](O)CN2)C3)c1 1799800468 SKEKXLMQHXPAIR-PJVZLEMVSA-N 398.463 -0.207 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nccnc3c1)C2 1800778132 CHDHMPUHCNWXES-HBCWATKFSA-N 394.387 -0.079 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(C)C)CCO2)C1 1830010867 XRQKXGLRLROYKJ-QFBILLFUSA-N 382.457 -0.094 30 20 GBED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1831208229 JERIGJAFFQAMDP-LJQANCHMSA-N 391.424 -0.692 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1834768727 LSMPJMFTSNPORD-LIRRHRJNSA-N 387.440 -0.115 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043665 NHDHUJAWNRXVIC-KDOFPFPSSA-N 395.412 -0.668 30 20 GBED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840160474 ICDRXXZLAXGJTJ-IGCXYCKISA-N 387.502 -0.372 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840161043 CIZOSFQHSQIBJZ-IIYDPXPESA-N 385.486 -0.548 30 20 GBED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)n1cccc1 1840355111 QTAHJVASEGCGKG-HNAYVOBHSA-N 389.408 -0.407 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815708 GAOSPOMRCFBXOC-LIRRHRJNSA-N 392.456 -0.339 30 20 GBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1846194817 RXBOJIADEMPHAX-UHFFFAOYSA-N 380.250 -0.367 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)C(C)(C)C)CC2)c1=O 129809918 YMJYHBWZCNEQTG-UHFFFAOYSA-N 391.472 -0.309 30 20 GBED C/N=C(/NC[C@@H]1CN2CCN1CC2)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 261656045 ADVUUJZUWXPILA-ZWKOTPCHSA-N 391.564 -0.810 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCCN2CCC[C@H]2C(N)=O)cc1 264611755 ZRCWGUHVJHFSDF-INIZCTEOSA-N 392.481 -0.332 30 20 GBED C#CC[C@@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)[C@@H]1CCS(=O)(=O)C1 290841382 IHLNKMGMJFXMSO-JKSUJKDBSA-N 398.506 -0.156 30 20 GBED COC(=O)N1CCN(c2ccc(Nc3c(C#N)c(=O)n(C)c(=O)n3C)cn2)CC1 292754080 JUEFFZLPSCAENW-UHFFFAOYSA-N 399.411 -0.017 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 330397837 PRGJPLBICZMJOZ-SFHVURJKSA-N 377.445 -0.666 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[S@](=O)C[C@@H](C)C1 349460457 PTZRSPFOHBUJQS-XMHCIUCPSA-N 399.560 -0.418 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@@H]5O)n2)cc1 374488218 LLTGMYZKSHNAFJ-ZOFXXKQRSA-N 392.419 0.364 30 20 GBED CCN(CCC#N)S(=O)(=O)N(CC)CC(=O)N[C@H]1CCS(=O)(=O)C1 409539707 UUYTXJNNWHOTKV-LBPRGKRZSA-N 380.492 -0.908 30 20 GBED C=C(C)CN(CC)C(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 459826163 WCYPZFWPWYWPNH-MRXNPFEDSA-N 380.489 -0.198 30 20 GBED CN(Cc1ccc(C#N)cc1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 462032780 SIQUAGUXVZRSCH-UHFFFAOYSA-N 375.410 -0.078 30 20 GBED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1 463310059 QSXXYINEGDQEQG-UHFFFAOYSA-N 396.367 -0.155 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC[C@H]3C[C@H](C)O)CC2)o1 464625677 KNWOVVFCNDEDDL-DZGCQCFKSA-N 377.445 -0.025 30 20 GBED COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NCC(=O)NCC#N)c1 509002714 USJOXNAEDYCIFR-UHFFFAOYSA-N 387.396 -0.232 30 20 GBED C=CCNC(=O)CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 539723090 NUQHILRYSANHMB-UHFFFAOYSA-N 382.442 -0.915 30 20 GBED COCCNC(=O)CN1CCN(C[C@H](O)COc2ccccc2C#N)CC1 599248075 GPQMXBVFUJXFEJ-KRWDZBQOSA-N 376.457 -0.322 30 20 GBED CCOC[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCO1 599546322 YFVKONINEIGQRK-INIZCTEOSA-N 387.440 -0.134 30 20 GBED CCOC(=O)c1c(NC(=O)C(=O)NCCN2CC[C@@H](O)C2)c(C#N)cn1CC 600071092 WTEGDXOGJWKGDH-CYBMUJFWSA-N 391.428 -0.322 30 20 GBED COc1ccc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)cc1[N+](=O)[O-] 730250872 CJVONQXMATWREG-UHFFFAOYSA-N 385.361 -0.661 30 20 GBED CCOCCNC(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 753439033 UBWJVLSRUTXWGF-UHFFFAOYSA-N 383.426 -0.189 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CC(C)(C)O)C[C@H]2C)c1=O 780481203 UTWIFKZFYWSPLI-OAHLLOKOSA-N 393.488 -0.722 30 20 GBED C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)S(N)(=O)=O 781971734 CUMVRZQALQUBTD-SMDDNHRTSA-N 380.426 -0.749 30 20 GBED CNC(=O)CNC(=S)NN=Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 788715979 YYWKSVWKUUPHMI-UHFFFAOYSA-N 383.386 -0.309 30 20 GBED N#Cc1ccc(NCCNC(=O)C(=O)NCc2cccc(OCC(N)=O)c2)nc1 793845777 RXEKFRZPVYVUBM-UHFFFAOYSA-N 396.407 -0.338 30 20 GBED N#Cc1ccc(CNC(=O)COC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)cc1 815265753 LUAZMYJXMQHPBN-AWEZNQCLSA-N 380.426 -0.367 30 20 GBED C#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 816673758 HVRFGASDWJWVAJ-ZDUSSCGKSA-N 382.438 -0.170 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(N3CCCC3)nc2)CC1 831560522 ARYLTTDLNSKCGW-UHFFFAOYSA-N 377.470 -0.093 30 20 GBED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H]3CNC[C@@H]3C#N)CC2)cc1 834488253 BCHGNUFHHDFBSU-DOTOQJQBSA-N 391.497 -0.471 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCCC4(C3)OCCO4)CC2)nc1 839236474 QSAZPNQWDMIVNP-UHFFFAOYSA-N 385.424 -0.033 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCN(C=O)CC1 848955784 DFSSCCBSPRHYJH-UHFFFAOYSA-N 386.455 -0.659 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 850712561 NBEQOSLZKNCAIQ-HNNXBMFYSA-N 385.486 -0.489 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NOCCN1CCCC1=O 856037069 QRYACSWLHQZFPJ-UHFFFAOYSA-N 380.426 -0.215 30 20 GBED Cn1cc(/C=C2/CC/C(=C/c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O 884003187 DDHDFJHJPASMKR-OXAWKVHCSA-N 384.392 -0.689 30 20 GBED C#CC1(O)CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 890519684 QWDDKRVARPCSEG-OCCSQVGLSA-N 384.841 -0.330 30 20 GBED Cn1c(C=NNc2ccc(S(N)(=O)=O)cc2)nc2c1c(O)nc(=O)n2C 920360247 VGTVAIPEKJRSQT-UHFFFAOYSA-N 377.386 -0.534 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cc2cn(CC)nn2)[C@H](OC)C1 944798366 MVIOLNAJRMXAQD-LVQVYYBASA-N 377.445 -0.226 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H]1C 989306851 FMBHGCSZEOIZQN-MQYQWHSLSA-N 378.429 -0.375 30 20 GBED C=CCOCC(=O)N1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1073582775 GNKYJPZKJUSFRQ-BCDMZGRMSA-N 375.469 -0.033 30 20 GBED C#CCOCCC(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1074588185 CNJZHVPZEZXWIR-OCABDXPQSA-N 376.453 -0.081 30 20 GBED NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(CC#Cc3cccc(Cl)c3)C[C@@H]2O)O1 1083776053 XUQLAAZDRUHKNV-LTIDMASMSA-N 391.855 -0.114 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC1CCOCC1 1109167697 FOYWXVQYQZMOBV-PMPSAXMXSA-N 376.457 -0.857 30 20 GBED COc1ccc(CNC(=O)C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1C#N 1119548343 XDTUUZQYWLVGDZ-CYBMUJFWSA-N 394.453 -0.419 30 20 GBED C=C(C)Cn1c(CCOC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1122623547 VQXBOVFYHYQPEP-UHFFFAOYSA-N 376.461 -0.030 30 20 GBED CN1CCN(C(=O)C2CCN(C(=O)C(=O)Nc3cccc(C#N)n3)CC2)CC1 1261459910 GYKQMIWHHVANCV-UHFFFAOYSA-N 384.440 -0.096 30 20 GBED C#CCNC(=O)CN1CCN(C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 1261544106 HFHZIKDLRCEFMQ-QGZVFWFLSA-N 379.482 -0.510 30 20 GBED CCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 1261926796 WVQDCDZZCYMWPM-CVEARBPZSA-N 397.435 -0.488 30 20 GBED N#C[C@@H]1CN(c2nnc(CC3CC3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1316541549 ZTGUFCIVBVBQPW-CZUORRHYSA-N 381.458 -0.491 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCO[C@@H](C(F)(F)F)C1 1322696133 UBAMCAHHUPGDJK-PJSNMCHCSA-N 390.318 -0.581 30 20 GBED C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1325561535 ZUKMAWLIUCEFKG-JFVSRZABSA-N 377.445 -0.380 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 1327472848 AKEIACQYZCDTNM-RWMBFGLXSA-N 379.417 -0.880 30 20 GBED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCc2ccc(C#N)cc2)CC1 1328219997 YYFWMFAAUFIUCU-GOSISDBHSA-N 397.479 -0.018 30 20 GBED COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C1 1338612263 KVYAIZMJZQQQMV-KBPBESRZSA-N 375.381 -0.435 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCSC[C@H]1c1cnn(C)c1 1343311335 KDALNNYFHHTBHS-ZDUSSCGKSA-N 386.499 -0.246 30 20 GBED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CC1 1360248722 VNOTXUKHXZMYHH-LBPRGKRZSA-N 396.473 -0.278 30 20 GBED N#Cc1nc(N2CCC[C@H](N3CCCS3(=O)=O)C2)cnc1-c1nn[nH]n1 1571117355 KBLWASRLZOVQFH-JTQLQIEISA-N 375.418 -0.467 30 20 GBED C[C@H](C#N)C(=O)N(Cc1cnn[nH]1)C1CCN(C(=O)CCn2ccnn2)CC1 1575179326 UGNJVQMZGNPLGI-CYBMUJFWSA-N 385.432 -0.034 30 20 GBED CCO[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1CNC(=O)[C@H](C)C#N 1578382123 UAGMHYOIDLXYAU-JTNHKYCSSA-N 386.416 -0.052 30 20 GBED CCc1nc(-c2nn[nH]n2)cc(N2CCC[C@@](CO)(NC(=O)[C@@H](C)C#N)C2)n1 1578590011 BEBRTUXAXAWJKY-APPDUMDISA-N 385.432 -0.174 30 20 GBED N#Cc1c[nH]ccc1=NC[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1581883028 HOBILJHRBQLCPN-LBPRGKRZSA-N 379.384 -0.164 30 20 GBED C#CCNC(=O)CNCC[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1C 1588354658 UONSLNROJWNLKI-CHWSQXEVSA-N 384.444 -0.368 30 20 GBED C=CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588658860 WCRZFFMFFBSJIZ-JTQLQIEISA-N 387.404 -0.989 30 20 GBED CN(C[C@H](O)CNC(=O)CSCC#N)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1591046467 QNQZDPRSVXHDMO-SNVBAGLBSA-N 378.418 -0.999 30 20 GBED CS(=O)(=O)CCOCCNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1591675396 VGCNRAIIYQCJBT-CQSZACIVSA-N 392.441 -0.274 30 20 GBED N#CCSCC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[nH]n3)nc2)C1 1606351519 USMMYAZZXXCCFF-MRXNPFEDSA-N 388.457 -0.034 30 20 GBED Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1607426586 ZJZKKGUXRLRERW-ZDUSSCGKSA-N 391.453 -0.075 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 1609492886 CUPDPUAOQGWODT-KBPBESRZSA-N 389.441 -0.172 30 20 GBED COc1ccc(N2C[C@H](C(=O)NCCn3cc(C#N)c(O)nc3=O)CC2=O)cc1 1641967752 JGRXMKWHNUJYOP-GFCCVEGCSA-N 397.391 -0.002 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCN2CCC3(C2)OCCO3)c1 1654738035 OYMSCMFXSLXGAO-UHFFFAOYSA-N 394.453 -0.598 30 20 GBED Cn1cnnc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1660629044 OIQMUOMXKORZAR-UHFFFAOYSA-N 396.454 -0.618 30 20 GBED COC(OC)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779099431 GNHMPFLXNQCXPY-HNUSORCJSA-N 399.444 -0.036 30 20 GBED C[C@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567249 KRCGEUCHKJDXQH-IFXJQAMLSA-N 387.392 -0.233 30 20 GBED CC(C)N1CCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567942 JVJOCNKUKVCXTP-KXBFYZLASA-N 377.441 -0.223 30 20 GBED CC[S@@](=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1788490782 HRBSEKRPLLZMFD-MIBVRESMSA-N 384.454 -0.787 30 20 GBED CN(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21)C(=O)C(=O)O 1790634429 BNBYTDYMPODOKV-AVGNSLFASA-N 394.428 -0.941 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccn1 1794641997 BTZLSPYARLVYAZ-MIFYACCESA-N 386.456 -0.038 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSC(=N)N)C2 1795598679 VMOQKBLTGANNOR-DABQJJPHSA-N 396.517 -0.515 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C2 1799389810 RZJIBFMLIPDGQW-QKDZRIPBSA-N 382.461 -0.112 30 20 GBED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1800490799 BPZUBCLRNQBALJ-DGMCESFYSA-N 378.429 -0.614 30 20 GBED Cc1cc(C)n(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)n1 1800781014 CWVRSFLKCZKAGU-CCWDJLKJSA-N 388.424 -0.432 30 20 GBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cscn1)C2 1800985187 AZCAXFKEMMCLRW-SSYGJKRZSA-N 384.527 -0.079 30 20 GBED C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1821873231 KQCVWBUARZOAQV-NSHDSACASA-N 381.356 -0.525 30 20 GBED C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1)n1cnnn1 1825675044 UCQQHJXHWRBYBE-BDAKNGLRSA-N 389.397 -0.609 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1831438071 LMROABDZCDPWET-BEFAXECRSA-N 381.473 -0.405 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1831488070 VISWYCLSOYGRBP-DOTOQJQBSA-N 397.501 -0.311 30 20 GBED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1833475706 IGWRIFMOUVHQKX-PBHICJAKSA-N 381.521 -0.565 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835304501 XAORVFDROLVTFZ-KDOFPFPSSA-N 397.497 -0.359 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccsc3)C2)C1 1840041442 MTNLTTVNAPGXBS-QGZVFWFLSA-N 378.406 -0.094 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 271993880 JFKUITBQAIRRGK-UHFFFAOYSA-N 382.442 -0.398 30 20 GBED Cc1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1S(=O)(=O)NCC#N 332488387 BLPXDGUYUPJRIH-HNNXBMFYSA-N 378.454 -0.047 30 20 GBED N#CC1CN(S(=O)(=O)CCCCS(=O)(=O)N2CCSC[C@H]2C#N)C1 349607344 ZFDQATXNJJBNLY-CYBMUJFWSA-N 392.528 -0.177 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCN3CCOCC3)n2)c(F)c1 367792507 HCTQSCKTAXWACT-UHFFFAOYSA-N 386.387 0.270 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)C1=O 370549081 XWLMZJOUYSTXER-ZIAGYGMSSA-N 378.429 -0.277 30 20 GBED N#Cc1cccnc1N1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)CC1 410746587 JKPFKRODSNRKBD-FIDHJVLJSA-N 381.436 -0.170 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CC1 419726452 JTDVADSQXDODSD-QGZVFWFLSA-N 391.516 -0.434 30 20 GBED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 435033332 JENKEKXXUHSVBX-UHFFFAOYSA-N 384.400 -0.173 30 20 GBED CC(=O)N[C@@H]1CCCN(C(=O)CN2CCN(c3c(C#N)c(C)nn3C)CC2)C1 472155834 MDQVVGOTDBVCRP-MRXNPFEDSA-N 387.488 -0.151 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC(O)(CC#N)C2)cc1 473375792 GEGJJHWDDOKVTJ-NSHDSACASA-N 380.426 -0.201 30 20 GBED COC(=O)CN(CC(=O)OC)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 481494063 OQBBDJXFJVPTAU-NSHDSACASA-N 397.409 -0.600 30 20 GBED CN(CC(=O)NC[C@@H]1CCCS1(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 484091340 FBZOIRQWEZXTCA-AWEZNQCLSA-N 385.467 -0.128 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCCS1(=O)=O 484105470 FYIPDJUZRSXOTI-BXUZGUMPSA-N 385.467 -0.082 30 20 GBED N#Cc1ccc(NC(=O)C(=O)NCCS(N)(=O)=O)cc1Br 499021148 URQZBNMLISKEAT-UHFFFAOYSA-N 375.204 -0.336 30 20 GBED C=CCN1CC[C@@H](N(C)CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1=O 532476178 ILYVEHLIFPWNMS-JKSUJKDBSA-N 398.529 -0.964 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H](CC(N)=O)C2CCOCC2)CC1 542568127 FJVNTHQYJTYFFH-SJORKVTESA-N 379.505 -0.061 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCOCC(F)(F)C1 571299479 SJEHVJRTFUSTCI-UHFFFAOYSA-N 389.446 -0.105 30 20 GBED CC1(O)CN(S(=O)(=O)c2cccc(S(=O)(=O)N(CC#N)CC#N)c2)C1 576003258 PZEKNDGHKWTIBG-UHFFFAOYSA-N 384.439 -0.520 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C 591333182 OFNMHZVZDCDTNY-VXGBXAGGSA-N 395.503 -0.094 30 20 GBED N#CCCN1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)CC1 602265415 ZZPFRNVTNVFWGL-MSOLQXFVSA-N 391.516 -0.072 30 20 GBED C#CCOc1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)c1 731129229 JKIPDMUFSOTAMD-UHFFFAOYSA-N 395.437 -0.585 30 20 GBED C#CCNC(=O)C1CCN(CC(=O)Nc2c(C(=O)OCC)cnn2C)CC1 731446146 WETPAKUNCDASEH-UHFFFAOYSA-N 375.429 -0.003 30 20 GBED CNC(=O)NC(=O)[C@H](C)OC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745496623 NYXVYMMDLIUTGS-UWVGGRQHSA-N 396.425 -0.109 30 20 GBED Cc1c(C(=O)O[C@@H](C)C(=O)N(C)CCC#N)cnc2c1c(=O)n(C)c(=O)n2C 748434241 KBSMEYIDDXCACL-NSHDSACASA-N 387.396 -0.142 30 20 GBED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCOC3)c2=O)cn1 749863130 ZCHJHBYPTOANGU-LBPRGKRZSA-N 399.476 -0.539 30 20 GBED CNC(=O)[C@@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCO1 758749312 AIALTJPHRWQLQH-XQQFMLRXSA-N 381.433 -0.098 30 20 GBED COCCNC(=O)[C@H](C#N)C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 766256754 SPVBCOXQIMPLRP-CQSZACIVSA-N 388.428 -0.623 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)c1 774835101 FJZXYQAMMDBRDA-GDBMZVCRSA-N 393.465 -0.036 30 20 GBED C[C@H](CC(=O)O[C@H](C)C(=O)NCC(=O)O)/N=C1/NS(=O)(=O)c2ccccc21 827391826 LOVHQDXDGILTPT-NXEZZACHSA-N 397.409 -0.364 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](C)C1 949503120 OLWXLRFDDSDFOB-SYQHCUMBSA-N 378.429 -0.518 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 982154421 GXPAOMAAHWLVJD-YJNKXOJESA-N 392.456 -0.127 30 20 GBED Cn1c(O)ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2c[nH]c(C#N)c2)c1=O 1002130414 MRYUPMQXSKAEIY-BNOWGMLFSA-N 382.380 -0.139 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CCN(C(C)=O)CC2)C1 1023662716 ZVNGKWGJODGNNB-TVFCKZIOSA-N 393.484 -0.086 30 20 GBED NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(CC#Cc3ccccc3Cl)C[C@@H]2O)O1 1083775663 CTUSPSSGUWCLJD-LTIDMASMSA-N 391.855 -0.114 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC[C@H]1CCS(=O)(=O)C1 1109171219 IYYHSJPPXINCJF-FZKCQIBNSA-N 381.498 -0.328 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(CCOC)no1 1110461729 GFZUGNHHNZICFR-MCIONIFRSA-N 375.429 -0.381 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC([C@@H]3C[C@H](N)CCO3)CC2)nn1 1261435562 YOFAHLSMYRYDDB-ZBFHGGJFSA-N 376.461 -0.175 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O 1261450152 SXGYEDGHIBNVBQ-OAHLLOKOSA-N 386.408 -0.203 30 20 GBED N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2CC(=O)N2CCOCC2)CCO1 1316539058 MYRQESBXMKNSOM-OAHLLOKOSA-N 383.412 -0.072 30 20 GBED CS(=O)(=O)CC[C@H]1NC(=O)N(C[C@@H](O)COc2ccc(C#N)cc2)C1=O 1317726095 RIURCEFRRVUEKQ-TZMCWYRMSA-N 381.410 -0.347 30 20 GBED CC[C@H](NC(=O)C(=O)Nc1cc(C)nn1CCC#N)C(=O)N1CCOCC1 1319439411 OXRRNWZCMDHJSN-ZDUSSCGKSA-N 376.417 -0.203 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCNC(=O)C3CC3)C2=O)cc1 1321925312 WJONWVJYNFNYQZ-MRXNPFEDSA-N 397.435 -0.582 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)NCCNC(=O)C2CC2)CC1 1328782862 ZRMHKHDYUCVCHQ-UHFFFAOYSA-N 375.454 -0.089 30 20 GBED CN(C)C(=O)CC1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1330470387 DNFJHFSUQFDHCD-INIZCTEOSA-N 375.473 -0.098 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1CCC2(C1)OCCO2 1349909717 DQOBRQLJHYHHOL-UHFFFAOYSA-N 381.476 -0.670 30 20 GBED N#Cc1cc(F)ccc1N1CCN(C(=O)C(=O)N2CCOC[C@@H]2CCO)CC1 1356408245 ITJIQSODTGSPGB-INIZCTEOSA-N 390.415 -0.044 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)C1CC1 1574954511 LZGPAZGIJMHENF-AWEZNQCLSA-N 397.443 -0.487 30 20 GBED C=CCN1CC[C@H](N[C@@H](CO)CNC(=O)c2ccc(-c3cnn[nH]3)cn2)C1=O 1575103697 HPKHELSTVULBBD-HIFRSBDPSA-N 385.428 -0.666 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588504911 MTKVMGFXKOWEGY-MEDUHNTESA-N 377.405 -0.929 30 20 GBED C=CCCOCC(=O)N1CC(CCO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588611698 VWBGYYOAYCYXAD-UHFFFAOYSA-N 389.416 -0.519 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3-c3nn[nH]n3)c2)C1 1592670753 NFBWVOXKWPNSMP-MRXNPFEDSA-N 396.346 -0.150 30 20 GBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1602791716 AGQRHILNWFTVQR-INIZCTEOSA-N 377.405 -0.927 30 20 GBED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)C2 1782188754 OYHGZSULTLFEJS-JXXFODFXSA-N 392.500 -0.103 30 20 GBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CCO2 1783049449 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CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)CNC(N)=O)CC2)CC1 1833150052 ZWOJUWMXPSTWTI-UHFFFAOYSA-N 378.477 -0.224 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)CC1 1835348493 ZHWIHKQFTLCXHT-KUHUBIRLSA-N 390.440 -0.727 30 20 GBED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1837376571 CBXSEDUCSXICLD-RDTXWAMCSA-N 395.460 -0.546 30 20 GBED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840157239 ISHZWBUJKYNRAJ-IIYDPXPESA-N 387.502 -0.324 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1840166760 AOWNYCZGMDLBNN-GOSISDBHSA-N 375.429 -0.311 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3sccc3C#N)CC2)CC1 52147699 VXTAXIRJWISVAU-UHFFFAOYSA-N 383.499 -0.130 30 20 GBED N#C[C@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 268064729 GMUQVPZLOKCQAC-HNNXBMFYSA-N 378.454 -0.256 30 20 GBED COCCCNC(=O)/C(C#N)=c1/s/c(=C\c2c(C)cnn2C)c(=O)n1C 285075005 HQHWZZSKHJMNLW-MCPRKVKSSA-N 375.454 -0.856 30 20 GBED N#C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CCO1 332539630 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N#Cc1cc(CN2CCOCC2)cn(CC(=O)N2CCCC[C@@H]2C(N)=O)c1=O 577651833 SMGDKLLGKVXFGB-MRXNPFEDSA-N 387.440 -0.581 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN(C)S(=O)(=O)N(C)C 580572814 AQKKXOCEBYVTFY-LBPRGKRZSA-N 381.462 -0.876 30 20 GBED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 588866439 XJVRWGQFXLCKJF-CJNGLKHVSA-N 397.435 -0.093 30 20 GBED CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)O1 589478903 SOOURWUBYIDJHX-DZGCQCFKSA-N 394.453 -0.411 30 20 GBED COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)[C@H](C)n1cnc(C#N)n1 600021083 XJSMYTMWYJCVDO-AXFHLTTASA-N 380.430 -0.320 30 20 GBED CN1CCC(N2CC[C@@H](N(C)C(=O)C(=O)N3CCN(CCC#N)CC3)C2)CC1 601450646 FKBPZSQQRSVYSQ-GOSISDBHSA-N 390.532 -0.329 30 20 GBED C=CCn1c(-c2ncccn2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669053840 NBIRHWXIECYMKW-UHFFFAOYSA-N 378.462 -0.151 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)OCCNS(C)(=O)=O)ccc1F 730601331 WENSHKGXFWMWTQ-UHFFFAOYSA-N 380.419 -0.004 30 20 GBED N#CCNC(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 733015069 VPSWHEOVEYLOPZ-CYBMUJFWSA-N 396.381 -0.069 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](NC(=O)NC3CC3)C2)c1=O 760553179 USHIHJGXPRUNBH-CQSZACIVSA-N 390.444 -0.963 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCNC(=O)c2cc[nH]n2)cc1 780802510 WZAWTDLXZBLDQG-UHFFFAOYSA-N 375.410 -0.519 30 20 GBED C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)NC2(C#N)CCC2)C1=O 783981366 UNZBKHZOCZHTSQ-KRWDZBQOSA-N 394.395 -0.008 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 800109628 ZWPAFGIDPRARQE-AVGNSLFASA-N 385.446 -0.196 30 20 GBED C#CCCCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 806908723 OGULCEFXBJVWBU-UHFFFAOYSA-N 386.456 -0.509 30 20 GBED C=C[C@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 814547236 VPBMNLTZFDGXQX-AWEZNQCLSA-N 386.401 -0.251 30 20 GBED Cn1cc(C[C@@H](CO)CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cn1 819666199 JHUWTNXWSWPVEL-CYBMUJFWSA-N 391.453 -0.574 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CCc2cccc3c2OCO3)CC1 831568409 HTCSYANXAXOJFG-UHFFFAOYSA-N 379.438 -0.040 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2nn(C)c3ccccc23)CC1 831579817 QJYRXVRFQNBSMN-UHFFFAOYSA-N 375.454 -0.272 30 20 GBED C#CC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)C(=O)OC 841541724 XDPRCCBHAPBZRN-GFCCVEGCSA-N 386.451 -0.030 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](CO)C2)cc1 848510938 JGFVYOJOLBPHQG-AWEZNQCLSA-N 397.478 -0.163 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](O)CC)cc1 848941770 IAZNNZNQFQOHHZ-ZDUSSCGKSA-N 385.467 -0.117 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 872515284 KWTZYOFFWGTCIJ-KKUMJFAQSA-N 375.516 -0.162 30 20 GBED CCN1CCN(CC(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)C(=O)C1=O 919146720 KJESRMKRZRWNBL-LLVKDONJSA-N 378.410 -0.138 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@H]1OC 946820029 MABWILJDMVYWSI-DMRZNYOFSA-N 388.424 -0.273 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 974792154 UCMXCZXZHAXCGB-TUVASFSCSA-N 390.440 -0.421 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2CCOCC2=O)[C@@H]1CC 985516012 PAVKCEUXMFWGGW-QXSJWSMHSA-N 379.457 -0.068 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(OC)n(C)n2)C[C@H]1O 1023958538 OXQYGLXDUCOHAT-NGFQHRJXSA-N 378.429 -0.289 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C3CCC3)nn2)C[C@H]1O 1025711118 GAKVEGVLYCCXDP-XOUADPBQSA-N 375.429 -0.104 30 20 GBED C#CCN1CCC(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1058920227 HZZNRPSKVLUSFR-KURKYZTESA-N 377.485 -0.164 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 1109150682 AWHNTABNRZWLCX-MQYQWHSLSA-N 377.445 -0.754 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nc2nc(C)cc(C)n2n1 1110057018 VCKMFXRYXSAGSY-ILXRZTDVSA-N 381.440 -0.174 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1n[nH]c(C)c1O 1110444965 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C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cnn(Cc2cccnc2)c1 1342173768 IQFFNXRJFIHSBU-UHFFFAOYSA-N 377.426 -0.018 30 20 GBED COC(=O)[C@@H]1CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@@H]1C 1346278938 XXSOQWSLKDSMFD-ICBKXBRDSA-N 378.385 -0.961 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(CC(=O)N2CCCC2)CC1 1347201613 VVFMNKKWNISXSE-UHFFFAOYSA-N 399.513 -0.046 30 20 GBED C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1348383219 LJVXNFOPKSYBBR-CQSZACIVSA-N 390.440 -0.627 30 20 GBED COCC(COC)N1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 1460240123 WUDKFQMNGWGTMS-LJQANCHMSA-N 395.548 -0.042 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)NCc1cc(F)ccc1-c1nn[nH]n1 1573309212 FBTNWWOXWQQKHB-DYVFJYSZSA-N 378.408 -0.100 30 20 GBED C=CCOC[C@@H](NC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)C(=O)O 1573368625 IAXLDXLVUDYCKS-NEPJUHHUSA-N 385.417 -0.164 30 20 GBED C[C@@H](C#N)C(=O)N1CC[C@]2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCO2)C1 1573568244 ZYXDNBGCZLJNHU-APPDUMDISA-N 384.400 -0.202 30 20 GBED N#Cc1ccc(C(=O)NC[C@@H]2CN(CC(=O)NCc3cnn[nH]3)CCCO2)[nH]1 1577712148 BVWRTAUXMVRVID-CQSZACIVSA-N 386.416 -0.858 30 20 GBED N#C[C@H]1CN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)CCN1C1CC1 1587317070 IBGLBGSRHLWTDR-XJKSGUPXSA-N 387.415 -0.002 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)O)CC1 1602726606 SRWBKRPVSQGTRO-QWHCGFSZSA-N 393.487 -0.955 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC(S(N)(=O)=O)CC1 1609493669 QUACFBGSJLEIBO-CYBMUJFWSA-N 389.441 -0.172 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(O)(CN(C)C)CC3)CC2)o1 1659619591 VLIRDWBNQPRXSR-UHFFFAOYSA-N 390.488 -0.108 30 20 GBED C[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)C=CC2=O)C1 1782317824 YPDIYIQSCUOBKA-SNUQEOBHSA-N 395.481 -0.256 30 20 GBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1783046134 JTCLFQOLDAHHNK-IFXJQAMLSA-N 395.456 -0.275 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(c1)OCO3)CCO2 1783561737 ITFNJYWTKUDCNP-IBGZPJMESA-N 386.360 -0.053 30 20 GBED Cc1nc(N)sc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783563071 VVIDINYJOWGQTM-INIZCTEOSA-N 378.410 -0.435 30 20 GBED COC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1784259531 KHTOXTNHYCXGKL-KDCXGNEQSA-N 392.412 -0.116 30 20 GBED CCN1CCC(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1785647655 RYBIEZNMBLZHBE-LJQANCHMSA-N 377.441 -0.364 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]n3)[C@H]2C1 1787221112 VLZRVFKQPPDBCU-XDQVBPFNSA-N 377.445 -0.029 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncnc1)C2 1792485855 SUGFXGSDTBQMFE-YSWFFHECSA-N 385.424 -0.462 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(O)nn2)c1 1794565412 CEGXUTRUMRVGDF-DRXBFXEBSA-N 382.380 -0.101 30 20 GBED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2 1797838072 KTSQQNMRVJFDLV-SIECIHOSSA-N 399.407 -0.315 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(Cl)n1 1798082919 LZZQXJXKNJUSLT-WDAIWFPHSA-N 378.772 -0.579 30 20 GBED N[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)c1cccnc1 1800775645 ANNGJSMEAMPRTD-YGTYGHESSA-N 386.408 -0.851 30 20 GBED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1801165303 ICOBDFZCOHEEMV-KRXQYRFLSA-N 378.473 -0.638 30 20 GBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1802021101 ZUTMAMBPPFPQMZ-KYHPRHEASA-N 394.424 -0.516 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccnnc2O)[C@@H]1c1cccnc1 1811232336 IOBDNACRGNNGEB-DYVFJYSZSA-N 395.375 -0.015 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)n[nH]1)CC2 1825664595 LQXXTUSGONEGJH-SSDOTTSWSA-N 375.366 -0.114 30 20 GBED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831207643 VJAHHVBTEGMBLS-XLIONFOSSA-N 391.468 -0.229 30 20 GBED CN[C@H](CC(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1)C(=O)O 1831670364 UGPFBXDADYPWEL-HUUCEWRRSA-N 393.440 -0.243 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccncc1)CCO2 1839061109 DBEYDHIHEWKJPA-IBGZPJMESA-N 387.392 -0.832 30 20 GBED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)CC1 1839896483 XHFIKBBUCMJNCP-QGZVFWFLSA-N 379.413 -0.300 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1840159567 HJOZHJDIAIZWGC-XHDPSFHLSA-N 390.531 -0.222 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1840173962 YRWWGXZWRROYSU-QGZVFWFLSA-N 378.433 -0.648 30 20 GBED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1 1841890752 PYVYCJGHZNWBIF-UHFFFAOYSA-N 378.429 -0.276 30 20 GBED CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)N2CCc3ccc(C#N)cc32)C1 270129448 BCWXPUIYJNIHPI-CQSZACIVSA-N 376.438 -0.012 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCc1cccc(C#N)c1)C2 276027209 CVQJQYUAPJEUPA-UHFFFAOYSA-N 383.412 -0.270 30 20 GBED C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 290175821 YMRRJENSYFHPOD-ZDUSSCGKSA-N 396.469 -0.776 30 20 GBED CCCNC(=O)/C(C#N)=c1/s/c(=C\c2cnn(CC(F)F)c2)c(=O)n1C 292308175 AZXOIFGXNMGJIW-CQGALTQMSA-N 381.408 -0.062 30 20 GBED C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 297748710 LJQZMIQBCHMMMA-JKSUJKDBSA-N 388.468 -0.207 30 20 GBED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 297891397 RIWMZRQPAUHXLN-UHFFFAOYSA-N 383.452 -0.061 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2nnc3n2CCOC3)c1 372794547 UZMHRMRFSJBDIB-UHFFFAOYSA-N 375.410 -0.350 30 20 GBED C=C(C)CN(C)C(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 410807042 HKSQGWIWOHUPFU-UHFFFAOYSA-N 375.491 -0.080 30 20 GBED CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424504932 KFJDTXAUOIBIMH-CYBMUJFWSA-N 379.394 -0.773 30 20 GBED CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424504936 KFJDTXAUOIBIMH-ZDUSSCGKSA-N 379.394 -0.773 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(C(=O)[C@H](C)O)CC1 462027137 QLQANYJNFAIDGW-ZDUSSCGKSA-N 383.412 0.504 30 20 GBED COCCCNC(=O)[C@H](C)N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 567340041 YGOBTUYSSPGECA-AWEZNQCLSA-N 392.464 -0.982 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CC(=O)N(C2CC2)C1 578379523 BNOUVVPRQZZBFQ-NSHDSACASA-N 398.466 -0.470 30 20 GBED CCn1cnnc1CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 583392194 YBVCFHSNHXIAJD-UHFFFAOYSA-N 398.470 -0.079 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCOC[C@H]2OCCOC)C1=O 583401402 NFTDOZKXEGNTEM-QLFBSQMISA-N 383.445 -0.832 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](n3cncn3)C2)cc1 594622803 VFLXNRJQQGLQOB-LBPRGKRZSA-N 396.454 -0.284 30 20 GBED N#CC1(NS(=O)(=O)c2ccccc2S(=O)(=O)NC2(C(N)=O)CCC2)CC1 594633873 SVJSOSUYNOGGAO-UHFFFAOYSA-N 398.466 -0.293 30 20 GBED CN1CCN(CC2CCN(C(=O)C(=O)N3CCN(CCC#N)CC3)CC2)CC1 601439038 BARQOHMFPBHIHT-UHFFFAOYSA-N 390.532 -0.470 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1=O 603724104 HBVFIMPSFPYYMO-UHFFFAOYSA-N 397.395 -0.582 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CC(N)=O 608911317 AOUXWSAZLULSLY-UHFFFAOYSA-N 396.472 -0.183 30 20 GBED CC#CC[C@@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 649192567 KZFKGRJGLVEVIA-ZDUSSCGKSA-N 381.454 -0.325 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)N2CCc3ccccc3C2)CC1 728589985 PWPZUMXTLBJTTD-UHFFFAOYSA-N 376.482 -0.344 30 20 GBED Cn1c(=O)c2c(ncn2CC(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)n(C)c1=O 734560658 HPYFNCUCOVMRRI-AWEZNQCLSA-N 396.363 -0.925 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC2(C(=O)O)CCCCC2)C1=O 736107584 ZEXFZYOVMQWRPJ-UHFFFAOYSA-N 395.368 -0.590 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(N)(=O)=O)c(C)c2)CC1 736556397 IJRQJZBMPNYXCH-UHFFFAOYSA-N 378.454 -0.850 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2C(=O)OC)CC1 742291075 XXHMRGCUYCYEKR-UHFFFAOYSA-N 393.465 -0.330 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O[C@H](C)C(=O)NCC#C 754257085 DQTFVZRSFVTWGQ-SYMSYNOKSA-N 388.420 -0.069 30 20 GBED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)C(=O)OC 755865881 MHWWJYSKOCVGGN-OLZOCXBDSA-N 397.453 -0.066 30 20 GBED C#CCNS(=O)(=O)N1CCN(CCn2cnc3ccccc3c2=O)CC1 761023241 FRHWZOHRMPUKMJ-UHFFFAOYSA-N 375.454 -0.518 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@H](O)COCc2ccccc2OC)CC1 761032415 HKOHTPNLFJSEPM-KRWDZBQOSA-N 397.497 -0.342 30 20 GBED C#C[C@@H](NC(=O)C(=O)Nc1ccc(OC)c(OCC(N)=O)c1)[C@H]1CCCO1 773797810 ORIBLDKPULUXQN-CHWSQXEVSA-N 375.381 -0.205 30 20 GBED C#CCN1CCN(C(=O)CN2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)CC1 779841640 HZMDRWRRPKRSSV-MRXNPFEDSA-N 399.455 -0.379 30 20 GBED CC(C)OCCS(=O)(=O)NCC(=O)OCc1cc(O)n2ncc(C#N)c2n1 783982588 UWWAMMRLABJQCS-UHFFFAOYSA-N 397.413 -0.306 30 20 GBED Cc1nn(C)c(N2CCN(C(=S)NCCNS(C)(=O)=O)CC2)c1C#N 788284142 ZETCELBIXUWOQK-UHFFFAOYSA-N 385.519 -0.854 30 20 GBED CCOCCn1c(=C(C#N)C#N)sc(=Cc2ccc(-c3nn[nH]n3)o2)c1=O 821384307 ULOGSTXBLIGUMX-UHFFFAOYSA-N 383.393 -0.254 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(OCC)nn2)CC1)[C@H]1CCCO1 829213879 DBJCHRUEABHOJB-HUUCEWRRSA-N 387.440 -0.179 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N([C@@H](C)CCC)C2)CC1 831556167 JDDSDXFUGODZQQ-GJZGRUSLSA-N 384.502 -0.365 30 20 GBED C[C@H](CC(=O)N1CCN(C)C[C@@H]1CN)/N=C1/NS(=O)(=O)c2ccccc21 834299543 VDHCFENQQNGLNW-OLZOCXBDSA-N 379.486 -0.395 30 20 GBED O=C(N[C@@H]1CCCN(O)C1=O)c1ccccc1S(=O)(=O)N1CCOCC1 848137338 DKXWRFBNOJFKLW-CYBMUJFWSA-N 383.426 -0.183 30 20 GBED COCCCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 853705511 NMVYOLORJZMQLS-GFCCVEGCSA-N 383.426 -0.079 30 20 GBED COC(=O)[C@@H]1CC[C@H](C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)O1 860790943 IFOYSQKSZQMRAT-MNOVXSKESA-N 383.338 -0.008 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc3nnc(O)n3c2)C1 968784404 ISVJOXJHNDMGSJ-MQYQWHSLSA-N 387.396 -0.673 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1C 988305819 WTTIUKGDIKBXPL-MQYQWHSLSA-N 378.429 -0.375 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)Cn1ncn(C)c1=O)C2 1008390076 MRIZWTOMWQUVIE-YGTYGHESSA-N 389.456 -0.330 30 20 GBED C#CCOc1ncccc1C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1044236716 WKMLJZISRRRVQK-ALYAQQCSSA-N 397.431 -0.180 30 20 GBED Cc1cc(C#N)nc(N2C[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@]3(C)C2)n1 1052568664 QXURGWBQIBXCDI-JLMZAJLHSA-N 384.440 -0.026 30 20 GBED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@@H]2Cc3cncn3C(=O)N2)cn1 1055488753 YSNAIAZGMCFUAT-RZFFKMDDSA-N 378.396 -0.047 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)N2CCC(C(N)=O)CC2)[C@@H]1C 1088868522 JGIVSPPPSJBYTR-SIXLDLHFSA-N 392.500 -0.120 30 20 GBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 1109467351 SNJHXTXSBURYEQ-WCVJEAGWSA-N 377.489 -0.827 30 20 GBED C=CCn1c(N2CCN(CCOCCOC)CC2)nnc1[C@]1(O)CCOC1 1121722434 CDCVJXNBINIWGG-SFHVURJKSA-N 381.477 -0.143 30 20 GBED N#CC[C@@H](O)CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1191846622 WANVCVLLCTVFCX-GFCCVEGCSA-N 380.426 -0.402 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCN2CCCS2(=O)=O)n1 1254131119 XGTGGFLQDYNJEW-UHFFFAOYSA-N 382.446 -0.400 30 20 GBED C[C@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)N(C)CCC#N 1317799008 ZFOLZLONBOHACA-NWDGAFQWSA-N 398.441 -0.544 30 20 GBED C#CCSCCNC(=O)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 1325863267 RXKDPJRVMJWUBI-UHFFFAOYSA-N 382.530 -0.618 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCc2ccc3c(c2)CCS3(=O)=O)nn1 1326706671 VGAJROWIJDNCCU-UHFFFAOYSA-N 389.437 -0.274 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1329618630 LWVWLTADGRKPPT-CVEARBPZSA-N 380.489 -0.151 30 20 GBED CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1331378717 JGTTVVDMXCPARU-QZTJIDSGSA-N 383.452 -0.040 30 20 GBED C#CCCCC(=O)N1CCN(CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1573285175 TWBCAMLANLKFDB-UHFFFAOYSA-N 384.444 -0.128 30 20 GBED C=CCCOCC(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 1573336621 PRIGOMKRSHVLND-UHFFFAOYSA-N 387.448 -0.512 30 20 GBED C=CCN1CC(n2cc(CNC(=O)C3CCN(Cc4cnn[nH]4)CC3)nn2)C1 1575100061 LCNQATGDVXDSMK-UHFFFAOYSA-N 385.476 -0.033 30 20 GBED C=CCCO[C@H](C)C(=O)N1C[C@@H]2CN(CC(=O)NCc3cnn[nH]3)C[C@@H]2C1 1575100293 OGEFNAQZIPBNDO-KFWWJZLASA-N 376.461 -0.208 30 20 GBED N#Cc1cncc(N2C[C@H]3C(CNC(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@@H]3C2)n1 1581877984 RALNTXUVVDQHIN-STQMWFEESA-N 376.384 -0.031 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1588358208 VHPJNRDLPFJSOK-WCQYABFASA-N 387.400 -0.810 30 20 GBED C#CCOCCC(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nn[nH]n2)C[C@H]1OC 1588362638 NBENRXLJPPLQNY-HUUCEWRRSA-N 385.428 -0.070 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)nc1 1588371808 VJIBTHHBHSQOEX-CYBMUJFWSA-N 391.395 -0.332 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@H](O)CNCc1cc(F)ccc1-c1nn[nH]n1 1588505287 OUEXFOZNRIZDNV-CXAGYDPISA-N 378.408 -0.100 30 20 GBED N#CCSCC(=O)N1CCCO[C@@H](CNc2cnc(-c3nn[nH]n3)cn2)C1 1592680692 XTCQZHDINYJDQZ-NSHDSACASA-N 389.445 -0.057 30 20 GBED C[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C(=O)O)O1 1604356124 ZGTCVADLPIAZQN-WDMOLILDSA-N 381.410 -0.074 30 20 GBED N#Cc1cn(CCC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c(=O)nc1O 1628306966 LXNSYYLQMUKTOQ-HNNXBMFYSA-N 375.429 -0.030 30 20 GBED C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1706790861 KYEVNSRECKJPHS-ILXRZTDVSA-N 389.460 -0.321 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2ccc(/C=C\C(=O)O)o2)c(=O)n(C)c1=O 1776052262 VKZKSRGWSZKXJG-IEPNAUQISA-N 382.354 -0.913 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1781271522 CZHYVMCPEJVEJD-GOSISDBHSA-N 381.429 -0.409 30 20 GBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)C2 1781693117 XEFQRCVZHQWPAA-NMFBSDBYSA-N 392.481 -0.064 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CN)C[C@@H]21 1783531063 KSAKVPQVWUORJT-UMTODZBQSA-N 378.473 -0.581 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1793353577 IMJKAGMUEZPILO-WVCIDPQESA-N 379.457 -0.307 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)c2ccco2)C3)CC1 1795408312 UZXURHANVKMTGB-YWVIFJGQSA-N 386.408 -0.097 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)n[nH]1 1795692847 LOTCFOHIXWHODS-WJNVRWDZSA-N 378.429 -0.108 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2 1799304868 DHOMYNZUVLYLSG-DABQJJPHSA-N 377.401 -0.483 30 20 GBED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNCP(=O)(O)O)C2 1800487822 JMMURFGRGLOZKK-XPCVCDNBSA-N 389.389 -0.487 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831274991 PZNMEXGNFYSULL-AUUYWEPGSA-N 397.472 -0.848 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1831498805 QSIKMNQQNGXTLM-RDJZCZTQSA-N 387.502 -0.337 30 20 GBED COc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835353815 CXTVSDARBSGYET-SFHVURJKSA-N 389.412 -0.141 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)n[nH]4)CCO3)C2)CC1 1835853198 XUCGJKGQDCXMFT-QGZVFWFLSA-N 375.385 -0.511 30 20 GBED C[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837531152 XQUQAWCLMVVOLH-KNQUQLGCSA-N 399.444 -0.647 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1840176015 RJSHNIDJXLIOTB-INIZCTEOSA-N 381.458 -0.071 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1840842820 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745588767 GGMXHGUFGQIMCQ-UHFFFAOYSA-N 383.382 -0.886 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN2C(=O)CC[C@H]2C1 766047263 HSTNEVAFBIDDJM-LBPRGKRZSA-N 376.438 -0.052 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Cc2cccc(OCC(=O)NC)c2)CC1 772082006 YFQPUZVNDQRUTF-UHFFFAOYSA-N 386.452 -0.753 30 20 GBED C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1)[C@H]1CCCO1 775330214 PWJLHWAVVVCEJR-UONOGXRCSA-N 399.494 -0.041 30 20 GBED C#CCC[C@@H](O)CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 798390107 XRILOYIBHQEXNW-CYBMUJFWSA-N 384.414 -0.053 30 20 GBED CCOC(=O)c1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[nH]c1C 799483145 LQZAYSIDAVWOQV-UHFFFAOYSA-N 397.413 -0.790 30 20 GBED COc1ccc(CNC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)cc1C#N 809503981 NHEWEISKBVDLES-INIZCTEOSA-N 390.440 -0.665 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCS(=O)(=O)CC2CC2)cc1 810591836 GBQHUPNDXYPVME-UHFFFAOYSA-N 385.467 -0.222 30 20 GBED C#CCO[C@H](C)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 822509485 IPFTZXGEWKUECZ-OAHLLOKOSA-N 380.470 -0.312 30 20 GBED C=C(C)CONC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 846148749 BVRJVHCNPFWUPL-UHFFFAOYSA-N 397.457 -0.274 30 20 GBED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CCCN(O)C1=O 848137297 CLTBEHQMHZDUJI-LBPRGKRZSA-N 386.430 -0.844 30 20 GBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 848967066 OATVZPRWVLNTTA-LBPRGKRZSA-N 376.460 -0.054 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 949470414 VZTLWPOOZFEZFD-CTASWTNQSA-N 377.445 -0.474 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](C)C1 949472090 DHLYJLGFRXXRLE-FSZRXZPDSA-N 378.473 -0.638 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2ncn(C)c2=O)cn1 997944732 RVXMVWSFFJLRFS-PMPSAXMXSA-N 380.408 -0.480 30 20 GBED COCCS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 1093057822 VIHBAFDVZFFCLL-MCIONIFRSA-N 379.442 -0.365 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC[C@H]1CCOC1 1109175716 XUXOBCWJBFGRCM-WCVJEAGWSA-N 376.457 -1.000 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCC(=O)NC 1109180682 MGHDDUHEYQRGFH-RDBSUJKOSA-N 379.461 -0.364 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnn(CC)n1 1110521692 UEDFZCMAXLDYIY-BZPMIXESSA-N 375.433 -0.355 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCN1CCCC1=O 1118365607 XUHPMQOMZDEIMQ-CYBMUJFWSA-N 385.428 -0.876 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NCC)C1 1129855774 QZZSYPPMOSGMRG-WCVJEAGWSA-N 376.461 -0.263 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N1CCN(S(=O)(=O)CC)CC1 1262220795 YPRVHQULQVWYJJ-UHFFFAOYSA-N 393.465 -0.191 30 20 GBED CC(C)CNC1(CO)CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1301536286 NUEKCOCUZNIFQE-UHFFFAOYSA-N 377.445 -0.190 30 20 GBED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCOC2)CCO1 1303003270 DJVDNACZTBXNRL-ZENOOKHLSA-N 397.457 -0.940 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)CC1 1324765724 ICBDDRHQBDVFAE-GOSISDBHSA-N 377.445 -0.666 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)CC1 1327730521 UAPGEURYZUAAIX-LLVKDONJSA-N 376.442 -0.462 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)n(CCC#N)n1 1334476545 SUCAWHWJESGVED-ZDUSSCGKSA-N 396.473 -0.169 30 20 GBED C#CCN1CCN(c2nnc(-c3c[nH]c4nccn4c3=O)n2CCOC)CC1 1341953004 ZZSHFQIBBNSNGL-UHFFFAOYSA-N 382.428 -0.317 30 20 GBED C#CCOCCC(=O)N1CCO[C@@H](CN=c2cc(C)[nH]cc2-c2nn[nH]n2)C1 1588359423 NYASNTMLCOZIQR-AWEZNQCLSA-N 385.428 -0.329 30 20 GBED C#Cc1ccc(C(=O)N2C[C@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cc1 1588364473 GOEMBKJIJZTFCW-CVEARBPZSA-N 391.391 -0.209 30 20 GBED C#Cc1ccc(C(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)nc1 1588371809 VJIBTHHBHSQOEX-ZDUSSCGKSA-N 391.395 -0.332 30 20 GBED C#Cc1cncc(C(=O)NC[C@H]2CN(c3ccc(-c4nn[nH]n4)nn3)CCO2)c1 1588381333 YLLZFGCMOMWWLL-AWEZNQCLSA-N 391.395 -0.332 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2cnc(-c3nn[nH]n3)cn2)C1 1588406345 TZSHDJXQIWALAM-OLZOCXBDSA-N 385.432 -0.178 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 1588499561 JXJNENRTRAOYSG-BDJLRTHQSA-N 376.421 -0.761 30 20 GBED C=CCn1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[nH]n4)n3)[C@@H]2C)nn1 1588712763 CRZRQIDFWRAYBY-MNOVXSKESA-N 381.404 -0.169 30 20 GBED C=CCOC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O 1588850742 BIISAKZKHFJQMZ-SMDDNHRTSA-N 381.410 -0.003 30 20 GBED C=CCOC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)O 1588851132 VYDIKVBXAYPZGV-JQWIXIFHSA-N 388.446 -0.524 30 20 GBED CC(C)C#CC(=O)N1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1589384730 OMNCEXDCOKKNKO-SFHVURJKSA-N 385.428 -0.063 30 20 GBED Cc1nc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)ccc1-c1nn[nH]n1 1592342958 KRUJGUASLIUMRH-UHFFFAOYSA-N 379.340 -0.599 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(c2nccnc2-c2nn[nH]n2)C1 1602721648 RKXQNTYPWGOKSF-KGLIPLIRSA-N 381.444 -0.209 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2O)cn1 1602736759 HGSDPTCBMVCDGZ-KBPBESRZSA-N 391.395 -0.597 30 20 GBED C=CCN1CC[C@H](N2C[C@H]3[C@H](NC(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@H]3C2)C1=O 1602862698 LFUSHZYJZWUOKI-MYZSUADSSA-N 382.428 -0.358 30 20 GBED N#Cc1cccc(CNC(=O)C(=O)NCCNc2ccc(-c3nn[nH]n3)cn2)c1 1606380305 YRZXSGDRXYUCGE-UHFFFAOYSA-N 391.395 -0.022 30 20 GBED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OCC(=O)O)cc2)c1=O 1608075886 KEJUFOMYKNVWMA-UHFFFAOYSA-N 399.428 -0.308 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1778969462 MFZAIXVFBBGOCN-KSSFIOAISA-N 377.445 -0.319 30 20 GBED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784389550 FVKCOTHVJLDHCK-ZKNHNOBHSA-N 392.452 -0.005 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1 1788554610 JJVRGHDAKQZHTC-NZBPQXDJSA-N 392.456 -0.585 30 20 GBED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2 1793384184 PBOSDUUXEUKNNM-CYGHRXIMSA-N 398.573 -0.222 30 20 GBED Cn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c2c1CCC2 1797048804 ICZLEEPCCRKDLN-DPIQGUFMSA-N 386.408 -0.800 30 20 GBED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1831174591 LFHXGXOQGZWMOS-IFXJQAMLSA-N 394.472 -0.093 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1831402823 SLQOAVKMAGZMHG-OXJNMPFZSA-N 394.468 -0.214 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnnn4C)CCO3)C2)C1 1833222473 CMPZSQDXFLNSEB-SFHVURJKSA-N 375.429 -0.149 30 20 GBED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC=O)CC2)CC1 1833466717 LYSIKAQQJYPMEF-JKSUJKDBSA-N 392.500 -0.269 30 20 GBED Cn1cccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1833912408 YOSKJKBHKKETNM-SFHVURJKSA-N 375.381 -0.817 30 20 GBED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)on1 1834228244 KBYDEEHCIVXQOL-QGZVFWFLSA-N 377.353 -0.859 30 20 GBED Cc1nn[nH]c1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1834935809 YFESDOLOKLUWDQ-UHFFFAOYSA-N 388.428 -0.614 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1836510358 AZYGQFOFPNFVLV-QGZVFWFLSA-N 391.384 -0.199 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnnc1O)CCO2 1838366609 NTMAMLMVWHXIBF-LJQANCHMSA-N 386.408 -0.334 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 1838636272 WKCWJBLJOCCKAM-KRWDZBQOSA-N 375.385 -0.856 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)CC1 1840192114 OLFSJFHVJQAVTH-QGZVFWFLSA-N 397.453 -0.436 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4CCNC(=O)C4)CCO3)C2)CC1 1840227813 AXXSPXVMNQBDMN-LIRRHRJNSA-N 390.440 -0.727 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC(=O)C3)CCO2)C1 1840833139 MSBIBSOYWVSQNP-OXJNMPFZSA-N 394.468 -0.005 30 20 GBED CC(C)[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNCP(=O)(O)O 1847829245 AAGCQXRQQFACQM-GVXVVHGQSA-N 379.419 -0.133 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCN(C)C)C[C@@H]2CCCN2CC)C1=O 263641729 AQWGMOUOCLZFPU-HNNXBMFYSA-N 393.488 -0.162 30 20 GBED Cn1cc(/C=c2\s/c(=C(\C#N)C(=O)N3CCSCC3)n(C)c2=O)cc1C#N 276805811 FIOBBIVHLROBCL-VKDHKHAMSA-N 399.501 -0.265 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)cc1F 292609725 NRPXXTYGAYTPKP-JTQLQIEISA-N 376.435 -0.109 30 20 GBED CC(C)CNC(=O)/C(C#N)=c1/s/c(=C\c2cnn(C)n2)c(=O)n1CC(C)C 297906693 QOLRCJSMZOLATK-ZOUBSAEOSA-N 388.497 -0.030 30 20 GBED C[C@@]1(O)CCCN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N)CC1 349478086 RSBWKBDHENLZKY-CQSZACIVSA-N 392.503 -0.378 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccc2C#N)C[C@H]1O 349528460 TYFHKKQTMZGQAB-DGCLKSJQSA-N 388.471 -0.273 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccc2C#N)C[C@@H]1O 349528464 TYFHKKQTMZGQAB-YPMHNXCESA-N 388.471 -0.273 30 20 GBED N#CCC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)Nc2ccccn2)C1 349605950 IODFHPPONJWNMZ-UHFFFAOYSA-N 388.471 -0.106 30 20 GBED C=CCN1C(=O)C(=O)N(Cc2nc(Cn3nc4ccccn4c3=O)no2)C1=O 350943800 LGCUKWWSAZBLGN-UHFFFAOYSA-N 383.324 -0.596 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)CCO1 409583561 FLTWRRAPVSRHTI-MRXNPFEDSA-N 378.454 -0.158 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@H](C)O[C@H](CO)C1 470926690 SBYNBUGOLMOPMT-JSGCOSHPSA-N 384.396 -0.006 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)CC2)c1C#N 472076975 UMKMDGYGHKCROR-OCCSQVGLSA-N 375.433 -0.535 30 20 GBED COC(=O)[C@@H]1CCO[C@H]1C1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 490001717 UQUNRYWWOPOOBT-ZNMIVQPWSA-N 387.458 -0.254 30 20 GBED CCN(CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)CCC#N 502338693 NBWNCDZAPCPFBO-AWEZNQCLSA-N 380.536 -0.092 30 20 GBED CN(CCC#N)S(=O)(=O)N1CCCN(S(=O)(=O)N(C)CCC#N)CC1 502347423 GGWUDUHLOUSFBI-UHFFFAOYSA-N 392.507 -0.825 30 20 GBED CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 502348528 LFDCAZATQBACND-UHFFFAOYSA-N 393.535 -0.185 30 20 GBED CCN1CCN(c2ccc(NC(=O)C(=O)NCC(=O)NCC#N)c(C)c2)CC1 508943625 USNSKMZVZBVXJD-UHFFFAOYSA-N 386.456 -0.169 30 20 GBED COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 592913444 ZRHTWTCHYZRVIX-KBPBESRZSA-N 395.437 -0.125 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 728534272 HXOJRJVMJBXIPA-UHFFFAOYSA-N 388.380 -0.111 30 20 GBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N2CCC[C@H](C(=O)OCC)C2)CC1 728571028 UKDMUVNBOYARDI-SJORKVTESA-N 392.500 -0.456 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](CNC(C)=O)C2)cc1 735472735 BKMHUYGBNDKLAX-HNNXBMFYSA-N 379.438 -0.425 30 20 GBED CCN(CCC#N)C(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745446046 YSLMRVUHZCWCBT-PGKPSXLWSA-N 377.397 -0.157 30 20 GBED C#C[C@H](NCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 775788805 JQTGRCZIKDNREY-LUKYLMHMSA-N 384.498 -0.049 30 20 GBED C=CCS(=O)(=O)CCNC(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 794380339 SLYCWJOFBZQOBL-UHFFFAOYSA-N 382.442 -0.034 30 20 GBED N#CCNC(=O)CNC(=O)C(=O)Nc1cc2c(cc1Br)OCCO2 807402429 GIASOXTXBANMFO-UHFFFAOYSA-N 397.185 -0.085 30 20 GBED C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 808238442 FUDUOZGWWCSWCA-CJNGLKHVSA-N 397.435 -0.536 30 20 GBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)Nc1cc(-n2cnnn2)ccc1F 822815388 QJUVTUYVARWNEX-UHFFFAOYSA-N 395.322 -0.729 30 20 GBED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCNC2)cc1 850837657 BLCXUDZMFQMZGC-SYPKWCCASA-N 393.469 -0.084 30 20 GBED C=CCCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)nn1 969604784 JWLIFISNVWBBQZ-JHNDHUHGSA-N 389.456 -0.029 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c(C)c(C)nn(C)c2=O)C[C@@H]1O 970711349 CPDFINRBGTUDQP-KBXIAJHMSA-N 390.440 -0.710 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)C#CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 995446563 SPUIREBUCIUXAT-NCOADZHNSA-N 392.477 -0.173 30 20 GBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C2CC(=O)NC(=O)C2)c1 998377993 JHJWSJZXTIIPEO-PMPSAXMXSA-N 380.404 -0.023 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C[C@H]2O)nn1 1023922643 YLVPXAWZFAWOQP-RGCMKSIDSA-N 390.444 -0.930 30 20 GBED N#Cc1nc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)sc1Cl 1044537985 GLXBXLOMDSDBIF-XFWSIPNHSA-N 385.833 -0.633 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(O)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1074733079 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CNC[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1350352819 CMLJOVHYAXFLHJ-ZDUSSCGKSA-N 393.469 -0.885 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCC[C@@H]3C3OCCO3)CC2)cn1 1356404287 SLPOKJRAYNVQQD-MRXNPFEDSA-N 385.424 -0.034 30 20 GBED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N(C)C 1359467426 RXGJHIFSMGBHSJ-NEPJUHHUSA-N 385.494 -0.038 30 20 GBED C[C@@H](C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1)n1cnc(C#N)n1 1451228428 YYCJZQOYYWAFLK-WCQYABFASA-N 383.478 -0.218 30 20 GBED C#Cc1ccc(C(=O)N2CCO[C@H](CNc3cnc(-c4nn[nH]n4)cn3)C2)nc1 1573289518 ZURHPWCXQOCFDB-CYBMUJFWSA-N 391.395 -0.014 30 20 GBED C[C@@H](C#N)C(=O)NC[C@@H]1CCC2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)O1 1573577783 SPFIFTFGEWCDRW-JQWIXIFHSA-N 384.400 -0.156 30 20 GBED C#CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)C[C@@H]2CCCO2)CC1 1575004838 NFWWKEFRAQMQLV-KRWDZBQOSA-N 388.472 -0.084 30 20 GBED C#Cc1cncc(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3cnn[nH]3)nc2)c1 1575032371 AVDTVZHEBUJUOO-HNNXBMFYSA-N 391.391 -0.236 30 20 GBED C#CCN(CC(=O)O)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1588402643 ZBBZKBSTABKVNK-GFCCVEGCSA-N 388.442 -0.043 30 20 GBED C=CCCOCC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588615936 OHHUGNCTJBNPGH-KRWDZBQOSA-N 389.416 -0.519 30 20 GBED C=CCOCC(=O)N1CCC[C@@H](N(CCO)c2cnc(-c3nn[nH]n3)cn2)C1 1588671901 PAOFFMHIUCVNJI-CYBMUJFWSA-N 388.432 -0.351 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C)nn1 1588713625 OQQUFXZPPXHVCB-ZWNOBZJWSA-N 396.415 -0.137 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1 1609495520 UQVPODRDXUFFEJ-UHFFFAOYSA-N 398.427 -0.120 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCC(O)CC1 1636812090 QEPQCWVMFCHNIA-CYBMUJFWSA-N 380.470 -0.202 30 20 GBED CS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1770363300 YDZRUNDWHJJFLY-QMTHXVAHSA-N 385.425 -0.780 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NNC(=O)C2)C1 1779304158 YJUXEUXRSCYCRG-ZXYWRSMDSA-N 390.440 -0.586 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)n3cnnn3)CCO2)C1 1781399066 AYLKETVCERRTOK-JJRVBVJISA-N 393.448 -0.135 30 20 GBED Cc1nccn1CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015209 BNHUNHYONNVBQE-DNVCBOLYSA-N 388.424 -0.207 30 20 GBED CN(C)C(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785362063 OJTOKZDCWGCUCU-GOSISDBHSA-N 377.445 -0.219 30 20 GBED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2 1793349489 UMLFZAVNBFYNLL-KRXQYRFLSA-N 397.472 -0.379 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)NCC 1797695062 QRVJXGUTTFHLNQ-GVRJEKJASA-N 394.472 -0.678 30 20 GBED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797808415 NMLOLIZIJDNXJB-NAHJCDBISA-N 381.473 -0.561 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)C1 1829660607 AJRKPAOPMNMVDO-KSSFIOAISA-N 379.413 -0.483 30 20 GBED COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064413 KWTDAYCFJAZNIU-QGZVFWFLSA-N 382.417 -0.651 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)COC)C2)C1 1831387398 HBWIHTUMJOBWAJ-FCEWJHQRSA-N 382.457 -0.236 30 20 GBED Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)c1 1836202082 JHIDLMYGNBERNG-YOEHRIQHSA-N 382.486 -0.034 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1838741831 DJAIKKUBZRSIOK-SFHVURJKSA-N 386.364 -0.956 30 20 GBED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1)C(F)(F)F 1839860968 XYGSFVQVGIEESW-OAHLLOKOSA-N 393.362 -0.303 30 20 GBED NC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839863047 PPVIPJMZPRFDMW-OAQYLSRUSA-N 399.447 -0.240 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1839867685 ZXIZPRIHPDSQRW-FZKQIMNGSA-N 378.429 -0.871 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)OC(C)(C)C)CCO2 1839989369 YUEVLDHHXOVOSU-SFHVURJKSA-N 381.429 -0.399 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1840042465 WURYNETVTNBZFK-KBXCAEBGSA-N 378.381 -0.777 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=S)NCC)C2)C1 1840844261 MDNXJGWYYJQSGK-GOSISDBHSA-N 396.513 -0.660 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)C1=O 269131258 HJJWRWOWLGLADB-CABCVRRESA-N 392.456 -0.153 30 20 GBED N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 273606654 OHIKHSISUGULFX-JTQLQIEISA-N 376.435 -0.109 30 20 GBED CS(=O)(=O)NCCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 277056066 BDFFELKMKOEPFI-AWEZNQCLSA-N 379.442 -0.492 30 20 GBED CCOC(=O)CO/N=C(/C(=O)Nc1ccn(CC(=O)N(C)C)n1)c1cc[nH]n1 278001564 KMXXDDWURHTMCO-RCCKNPSSSA-N 391.388 -0.383 30 20 GBED CS(=O)(=O)N1CCN(CC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 293723893 MVGGVODLTVVDRW-OAHLLOKOSA-N 393.469 -0.490 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)CC1 333771798 RMKDULXMVAHSKV-LSDHHAIUSA-N 384.506 -0.502 30 20 GBED CO[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nn(C)cc2C#N)C1 349508400 MPCCDNFPLJHXMK-LBPRGKRZSA-N 391.475 -0.526 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@@]4(CCN(C)C4)C3)CC2)c1C#N 410839510 ZQHUYUUFMMOJON-HXUWFJFHSA-N 399.499 -0.197 30 20 GBED CN(C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CNC[C@@H]1O 418849415 AQZWJHYJYKTIAQ-COXVUDFISA-N 389.431 -0.427 30 20 GBED CCOC(=O)c1c(NC(=O)N2CCN(CC(N)=O)C(=O)C2)c(C#N)cn1CC 421186061 RUUJCXLNMMCZLA-UHFFFAOYSA-N 390.400 -0.282 30 20 GBED C=CCn1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)nn1 424905949 CNKKIAJWXSRISB-NSHDSACASA-N 392.441 -0.454 30 20 GBED COCCN1CC[C@H](NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 460597360 IZDSHFVIAORFQL-HNNXBMFYSA-N 397.439 0.223 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H](Cn3nc(C)nc3C)C2)C1=O 464909011 KVLOVBOFNHFRHL-CYBMUJFWSA-N 390.400 -0.901 30 20 GBED CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCC(=O)NCC#N)CC1 511922197 KHEVYSFKIBFQEK-UHFFFAOYSA-N 394.457 -0.934 30 20 GBED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NCC(=O)NCC#N)c1 533177473 PAJPZIPMBYSRKW-UHFFFAOYSA-N 381.458 -0.175 30 20 GBED N#CC1(NC(=O)CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CCCCC1 533383039 WOGJWEWESNQDOU-GJZGRUSLSA-N 384.502 -0.584 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(C)C2)cc1 568244218 FLMQCIIERYTAOK-WDEREUQCSA-N 386.455 -0.614 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)C1=O 591168397 UXZRUCQKUDSLNQ-NSHDSACASA-N 380.426 -0.515 30 20 GBED N#CCNC(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1Br 731237860 QGBRDNUPAVKYGE-UHFFFAOYSA-N 376.188 -0.107 30 20 GBED CCOC(=O)CN(C)C(=O)CSc1nc(N)c(C#N)cc1-c1nn[nH]n1 736597015 YIUYJKOOFRIQND-UHFFFAOYSA-N 376.402 -0.171 30 20 GBED N#Cc1c2c(cn(CN3CCN(C(=O)CN4C(=O)CCC4=O)CC3)c1=O)CCC2 766612927 RTFMFPCGBDACHL-UHFFFAOYSA-N 397.435 -0.541 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2cc(O)ccc2[N+](=O)[O-])c(=O)n(C)c1=O 771889762 BJYSQFZTWJRAKR-UHFFFAOYSA-N 383.342 -0.990 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)OCCn2cc(C(=O)OC)nn2)cc1 774581960 XGDKAPRAADIMSU-UHFFFAOYSA-N 392.393 -0.167 30 20 GBED CC[C@@H](NC(=O)C(=O)NCCNc1ncccc1C#N)C(=O)N1CCOCC1 787756816 RUFLHXMRNHEBSL-CQSZACIVSA-N 388.428 -0.765 30 20 GBED C#CCCS(=O)(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 810779581 SQQWPOBUAGGUNC-KRWDZBQOSA-N 393.421 -0.069 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)N(C)C)cc2)CC1 831561165 PTYOKLDZJDKUOM-UHFFFAOYSA-N 378.454 -0.386 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NC)cc1 848838633 DASWAMUAINSPCA-UHFFFAOYSA-N 398.466 -0.799 30 20 GBED C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1nc(N(C)C)n[nH]1 848960590 DCJDTVWJMPKJBZ-SNVBAGLBSA-N 378.480 -0.714 30 20 GBED C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2ncccc21 848964533 AWCFFMWPXQRXBL-CYBMUJFWSA-N 386.499 -0.001 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 961475947 ZEIQBUDSNSFVFM-KRXQYRFLSA-N 379.457 -0.332 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn3c2OCCC3)C1 969038836 PPWIBZXJVMIRIR-UKMLZYKCSA-N 390.440 -0.052 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnc(NC(C)=O)c2)C[C@@H]1O 970702247 NTEQCZMHGJJAFZ-WCVJEAGWSA-N 388.424 -0.067 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)cs2)C[C@@H]1O 970711956 PHHVKINJUWPRMM-NDBYEHHHSA-N 379.438 -0.260 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccon2)C[C@@H]1n1ccnn1 990962819 JUZZQIYKPORYMW-WCVJEAGWSA-N 386.412 -0.032 30 20 GBED C#CCOc1ncccc1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ncnn1 996690229 ATTUSXSUEQJZMZ-SNPRPXQTSA-N 381.396 -0.358 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)cn1 998954744 RFPHAJSIBMTWTP-JSRQGNBESA-N 382.420 -0.043 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C[C@H]2O)c1 1025551698 BOHFTYGFTPQGHZ-QXDIGNSFSA-N 385.420 -0.584 30 20 GBED C#CCOc1ncccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C=C)C1 1025710601 XRAXRYCPYTYQKU-DZUCGIPZSA-N 385.420 -0.014 30 20 GBED C=CCn1c([C@H](O)C2CC2)nnc1N1CCN(CC(=O)NCCOC)CC1 1121483056 GRSGGHHCXHBHLO-MRXNPFEDSA-N 378.477 -0.208 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1n1ccnn1 1129312449 DPDSDMAURFXBGI-IVSAIRAKSA-N 387.444 -0.759 30 20 GBED C=CCN(CC=C)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1220357308 GKGNCBCULSQUCN-JJXSEGSLSA-N 378.473 -0.927 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)nn2C2CCOCC2)CC1 1261914914 SGRPVCHMIKOKGV-UHFFFAOYSA-N 395.485 -0.232 30 20 GBED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](C#N)C2)s1 1318917478 YEFPPMROHTYJTB-NSHDSACASA-N 386.455 -0.587 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N[C@@H]1CCN2CCCC[C@H]12 1322255850 XAILPFZKUIRZMW-FJOSAAFMSA-N 375.429 -0.628 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 1324182502 VFIPPCCUFNVFFG-LSDHHAIUSA-N 394.472 -0.721 30 20 GBED Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NCC3(CC#N)CC3)CC2)no1 1326145539 WFGNQUNGHDSTOB-UHFFFAOYSA-N 388.428 -0.124 30 20 GBED C=CCN(C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)[C@@H](C)COC 1328346703 RSLCYBSMKXASRT-ZDUSSCGKSA-N 393.531 -0.469 30 20 GBED C=CCN(C(=O)C(=O)N1CCC(NS(=O)(=O)CC)CC1)[C@@H](C)COC 1330462504 HERXMFRLMHLFSS-ZDUSSCGKSA-N 375.491 -0.034 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1338866876 HEOWDVYNFDNNBB-GFCCVEGCSA-N 387.444 -0.415 30 20 GBED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@@H](C#N)C(=O)NC1CC1 1343292467 UZAVWGBVPGMWSY-CYBMUJFWSA-N 380.426 -0.353 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 1346276382 JUBSLEVADMMCJM-SUQMRRJOSA-N 386.412 -0.242 30 20 GBED CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@@H]1OC 1347233451 GUUDTLMFUKVUFT-UXLLHSPISA-N 387.440 -0.090 30 20 GBED C=CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)CNC(C)=O)CC1 1575104336 PLHONNROIXPHPC-UHFFFAOYSA-N 377.449 -0.964 30 20 GBED C[C@H]1C[C@H](NCC(=O)NCC#N)CN1C(=O)C1CCN(Cc2cnn[nH]2)CC1 1576054685 DCDSKCGXLOEUHE-ZFWWWQNUSA-N 388.476 -0.765 30 20 GBED N#Cc1ncc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nc1-c1nn[nH]n1 1581882398 WZAQXELHZYWGRP-INIZCTEOSA-N 390.411 -0.123 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](O)CN=c1cc[nH]cc1-c1nn[nH]n1 1588352616 QBOLUMGWSCDHTP-BBRMVZONSA-N 384.444 -0.988 30 20 GBED C#CCNC(=O)[C@H](C)NC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588352985 CNZCKNPWZWRVJW-QWHCGFSZSA-N 384.444 -0.083 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nn[nH]n2)C[C@H]1O 1588725666 KFPVMLWRWWGOHN-NGFQHRJXSA-N 385.428 -0.173 30 20 GBED N#CCNC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C(F)(F)F 1592678057 NBLZJLFAVBQVRY-UHFFFAOYSA-N 389.319 -0.196 30 20 GBED CN(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)O)CC1 1605996701 NYIMLMTYKRAWDB-UHFFFAOYSA-N 380.426 -0.349 30 20 GBED N#CCC(=O)N1CCN(S(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC1 1606346338 YZPRUXHTJWBSSD-UHFFFAOYSA-N 375.414 -0.246 30 20 GBED COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCOC1 1769847669 YMCHLHRURAHKKP-GOSISDBHSA-N 392.460 -0.082 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778263850 MNJMPBFSCMHKDY-HXUWFJFHSA-N 376.501 -0.133 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1783166692 KDIZMGRIXOBYKV-IQMSKSFESA-N 392.456 -0.801 30 20 GBED Cc1nnc(CCC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)s1 1783557350 KWQWOCJZBRCQIH-KRWDZBQOSA-N 392.437 -0.303 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(C)=O)[C@H]2C1 1790846031 CRNXOKREQSBLAR-YHUYYLMFSA-N 381.473 -0.325 30 20 GBED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2C1 1791396529 CEIDRWNHONJWDT-VOAKCMCISA-N 381.454 -0.791 30 20 GBED CN1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)C#N)CC1 1792631096 CCDGRXBZRLPQEH-SCAQPMJSSA-N 377.489 -0.627 30 20 GBED C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O)[C@@H]1SC(=N)NC1=O 1801988297 GSZNIXXCVNGVAQ-JVWRJRKNSA-N 392.437 -0.485 30 20 GBED Cn1c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)cccc1=O 1833870072 JTYFFPKMZIRMDZ-IBGZPJMESA-N 388.424 -0.241 30 20 GBED Cc1noc(N)c1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835353839 FCYJGRXMXHGWKX-QGZVFWFLSA-N 377.401 -0.061 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835431668 SEQULTHSMXPNOK-LIRRHRJNSA-N 397.472 -0.896 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837277770 PHEWQTQXPZZGOT-ZBEGNZNMSA-N 398.489 -0.906 30 20 GBED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1837313883 DYZQKCUXZSPPDQ-KXBFYZLASA-N 394.472 -0.121 30 20 GBED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839079707 JXYAMWDACYDKOB-DRMAHVMPSA-N 381.473 -0.622 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(C)=O)CCO2)C1 1839874232 URYCDIFMZJTELI-QMTMVMCOSA-N 397.472 -0.442 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)N(C)C)CC3)CC2)o1 29926379 XKKRJBHGRHERDK-UHFFFAOYSA-N 389.460 -0.198 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N(C)[C@H](C)CS(=O)(=O)CC)c1cc[nH]n1 276674441 ZQJMVAXBXVECJQ-VVLNONDKSA-N 388.446 -0.025 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 282251435 FUOIPDYBXGSNBX-WDEREUQCSA-N 381.501 -0.049 30 20 GBED C=CCn1c(SCC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)n[nH]c1=O 283779808 DEMODBCQMSMQSG-NSHDSACASA-N 390.487 -0.488 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)CC2)c1 286943013 NZIGHFGAEDOGNW-HNNXBMFYSA-N 396.451 -0.271 30 20 GBED C=C[C@@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OCC 290102767 QNLXOVYNZKGAQT-NSHDSACASA-N 385.442 -0.063 30 20 GBED CCNC(=O)CN1CCN(/C(O)=N/C2CCN(S(=O)(=O)CC)CC2)CC1 330471936 DEFKNNCDYBNTDK-UHFFFAOYSA-N 389.522 -0.532 30 20 GBED CN(c1ccc(C#N)nc1)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](O)C1 349521200 LKWYZHOHQAFJSD-CQSZACIVSA-N 388.471 -0.494 30 20 GBED C#CCNC(=O)CN1CCCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 363984758 HMVQCIAIQJEGAK-UHFFFAOYSA-N 395.441 -0.496 30 20 GBED COC(=O)[C@H]1COCCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 471746392 LHHVTEZOQCIXHH-CYBMUJFWSA-N 381.410 -0.189 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)n(CCC#N)n1 532566834 GBHRWFMMKQZHOY-UHFFFAOYSA-N 384.400 -0.347 30 20 GBED C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 538110306 KTRCFLMTGLMXTE-ZDUSSCGKSA-N 393.469 -0.163 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCn2cncc2C1 573625497 KQTCFEWJWPNJFB-UHFFFAOYSA-N 375.476 -0.360 30 20 GBED N#CCNC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 580415969 QTAZOFGPQVKUFU-ZDUSSCGKSA-N 395.397 -0.496 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)ncc1C#N 581079820 GKPMDWMCNSMISZ-HNNXBMFYSA-N 384.440 -0.035 30 20 GBED CC(C)(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)O 736339419 PKHVUJVVHNOXGR-UHFFFAOYSA-N 394.453 -0.156 30 20 GBED Cc1cc(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)nc2c1c(=O)n(C)c(=O)n2C 738862148 YJMYBMGETGBVQP-LJQANCHMSA-N 399.407 -0.094 30 20 GBED C#CCOCCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 784594000 QGACDWDPOVGKBU-UHFFFAOYSA-N 393.465 -0.081 30 20 GBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 785657827 NZHAQNUWJWOTMJ-HOTGVXAUSA-N 394.472 -0.282 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2c(C)nn(C)c2Br)CC1 801092403 RRJRQIOQOCSCFI-UHFFFAOYSA-N 382.262 -0.002 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)C1=O 806715509 IJDVFUMLIMQCHC-UONOGXRCSA-N 381.429 -0.730 30 20 GBED C#CCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 810271000 JFINELUOWXKKSV-UHFFFAOYSA-N 388.449 -0.175 30 20 GBED Cn1c(C=NNCc2ccc(-c3nn[nH]n3)cc2)nc2c1c(O)nc(=O)n2C 822596155 HWMJZBUJLBLARG-UHFFFAOYSA-N 380.372 -0.324 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)CCO1 828138614 CMXAOPZTJNJYPO-MNOVXSKESA-N 384.380 -0.011 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C2CCC(NC(=O)C3CC3)CC2)CC1 831574982 UFMNIYLGOJJJGM-UHFFFAOYSA-N 396.513 -0.317 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2cnn(C[C@H](O)CO)c2)C1 832162359 GRPDUGSMPWMBOD-UBHSHLNASA-N 379.417 -0.275 30 20 GBED C#CCN1CCC[C@H](NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 890366551 AZBLXELOFOMYSY-DLBZAZTESA-N 398.529 -0.080 30 20 GBED COCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 916890899 NFQWUEIWLNUFCG-NSHDSACASA-N 376.325 -0.208 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cccc(C(=O)NC)c2)C1 964901629 IJQDLECUIPUHHE-NCOADZHNSA-N 387.436 -0.061 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cn3ccc(O)nc3=O)[C@@H]2C1 1022066549 HLPINZYTERQEPB-YJNKXOJESA-N 388.424 -0.401 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N[C@@H]1COc2ccccc2C1 1117060325 WFXCUPXVIQMLSU-CMTMBAJVSA-N 384.392 -0.251 30 20 GBED N#CCn1cc(NC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)cn1 1319960980 RJDXPHVICDTPIS-UHFFFAOYSA-N 397.443 -0.536 30 20 GBED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCc2ccc(C#N)cc2)C1 1329663812 RAJPBNASKULOCX-OAHLLOKOSA-N 378.454 -0.243 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C[C@H](C)O1 1331722652 UPLGLEJICVEKOR-NHYWBVRUSA-N 375.381 -0.028 30 20 GBED COCCS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1 1343455165 YGLBOSSTMLVHEH-CQSZACIVSA-N 395.437 -0.526 30 20 GBED N#Cc1cn(CC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c(=O)nc1O 1464250314 MFGDKTHXRRPSJE-UHFFFAOYSA-N 383.364 -0.068 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[nH]n2)C[C@H]1O 1588357680 OLUCRINYLJZDPK-HBNTYKKESA-N 377.430 -0.664 30 20 GBED COC(=O)c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CCOC[C@@H]1C#N 1591285791 KZPLSUQKXZIIJP-JTQLQIEISA-N 378.370 -0.434 30 20 GBED CO[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)CSCC#N 1591470861 RDMSYRPSZYETLM-VXGBXAGGSA-N 389.445 -0.458 30 20 GBED C=C(CC)CNC(=O)C(=O)N1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 1602767812 NVOULRVAKQHGOW-UHFFFAOYSA-N 387.448 -0.360 30 20 GBED COC(=O)[C@@H](O)C1CCN(CC#CCN2CCC([C@H](O)C(=O)O)CC2)CC1 1610154699 HPDXXOXSXOPGJU-IRXDYDNUSA-N 382.457 -0.607 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C(=O)O)CC2)c1 1776181727 ARWFLNOVRSZFBM-UHFFFAOYSA-N 381.410 -0.480 30 20 GBED CN1CC(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1779020731 URNPWNNXMCIHRT-ATASCALFSA-N 377.489 -0.150 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783164732 CJULCJZTMDTZNW-LBTNJELSSA-N 380.445 -0.247 30 20 GBED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783564682 BYLNQOPULRYESH-GOSISDBHSA-N 395.412 -0.571 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CN(C)C3)C2)C1 1784784217 MNKJQMLDKLPPGJ-LJQANCHMSA-N 379.457 -0.113 30 20 GBED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2C1 1791396577 GUCILVWBCBLEQI-JYJNAYRXSA-N 387.436 -0.305 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncnc1 1794816203 ARNQMMKYVPYABF-YSWFFHECSA-N 385.424 -0.462 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCCS2(=O)=O)C3)CC1 1795413178 VSEAAIAVQRCRQE-XJFOESAGSA-N 381.454 -0.543 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3ccnc13)C2 1800777282 OBUGFNAPABOLNU-FVCICTRLSA-N 382.376 -0.375 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cnc(O)[nH]2)[C@H]1c1cccnc1 1810953007 DVTTWMAAEDBCBZ-MLGOLLRUSA-N 383.364 -0.082 30 20 GBED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1831224016 ADNXOYJLIDOXII-LJQANCHMSA-N 387.440 -0.462 30 20 GBED Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)no1 1832921505 SQRUXGJULINQMQ-GOSISDBHSA-N 391.428 -0.073 30 20 GBED CCNC(=S)NCC(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834400471 JFKXAWFSLKLVQE-UHFFFAOYSA-N 394.545 -0.044 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1840173681 LUMQHGKMSIYLRX-CRAIPNDOSA-N 383.445 -0.830 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccoc1)CCO2 1840516859 PXXWGGYAUHCVMH-LJQANCHMSA-N 390.392 -0.243 30 20 GBED CN[C@@H](CC(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2)C(=O)O 1842950042 FTRRDFHFIGZXHZ-ZDUSSCGKSA-N 379.461 -0.466 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cc(OC)ccn3)CC2)C1=O 264217948 VGLFPJWMUICCCO-UHFFFAOYSA-N 387.396 -0.284 30 20 GBED CN(CC(=O)N1CCN(CC#N)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 266761661 ZMSOOFRANCZKDJ-UHFFFAOYSA-N 381.414 -0.117 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)cc1 267407941 RAVGWLLORFCQMS-ZDUSSCGKSA-N 394.453 -0.222 30 20 GBED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 271889119 VKIAUAOOLREAOF-GFCCVEGCSA-N 396.473 -0.012 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)CNC2=NS(=O)(=O)c3ccccc32)C1=O 281277337 HQHKTBGLCMHRCX-ZDUSSCGKSA-N 376.438 -0.030 30 20 GBED CS(=O)(=O)c1nc(C(=O)N2CCN(C(=O)CC#N)CC2)c2ccccn12 288249496 XRORPEQLOSTNBB-UHFFFAOYSA-N 375.410 -0.064 30 20 GBED CC1(C)CN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)C2CC2)C[C@H]1O 349469330 WKQZWBFSXRAQEQ-CYBMUJFWSA-N 379.504 -0.273 30 20 GBED CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCn2cnnc2C1 349496769 AJQQPRICYOOBEU-LBPRGKRZSA-N 390.491 -0.623 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCNC(=O)C1(C)C 349593685 SHEYOHHPEBDPFL-NSHDSACASA-N 380.492 -0.862 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 374445960 DXLRTYSGPBFISZ-LBPRGKRZSA-N 386.434 -0.582 30 20 GBED C=CCNC(=O)CNC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 376876426 MVIBENGGUBHIBV-HNNXBMFYSA-N 385.424 -0.045 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3C[C@@H](O)[C@H](CO)C3)C2)c(F)c1 422305749 BZIKMBQFXAMWTR-GRDNDAEWSA-N 390.415 -0.406 30 20 GBED COCC[C@H](CO)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 440108602 REYRZANCBZATNG-LLVKDONJSA-N 375.360 0.335 30 20 GBED CCOC1CC(O)(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 447428469 YGXNKWXUWWEFNY-UHFFFAOYSA-N 398.423 0.432 30 20 GBED CN(CC(=O)NCc1cccc(C#N)c1)CC(=O)N[C@H]1CCS(=O)(=O)C1 532665421 LZQURAWMBWMSMK-HNNXBMFYSA-N 378.454 -0.590 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 533056988 BNAGYZMHVQBSGO-KLZNWCGWSA-N 386.518 -0.483 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1C 539691415 FLTIJSLYMHOKEO-UHFFFAOYSA-N 388.424 -0.176 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)CC1 569808370 SXSOUOMKFRGADL-QGZVFWFLSA-N 383.452 -0.250 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)cc1 574491894 QMPANWPPPTZDOW-QGZVFWFLSA-N 376.438 -0.035 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)Cc1ccc(C#N)cc1 577416160 LQUFAGBNFMMIDQ-OAHLLOKOSA-N 395.437 -0.232 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[C@@H]3C(N)=O)CC2)cc1 583516867 QJHDMZFYYSLIDR-LSDHHAIUSA-N 376.438 -0.097 30 20 GBED CC(=O)N1CCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)CC1 594637133 OZJLBZDGPDEBJW-UHFFFAOYSA-N 380.492 -0.908 30 20 GBED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 596691555 ZTUYADQTWLTDMJ-BRSBDYLESA-N 375.400 -0.053 30 20 GBED CN(C)C(=O)CN1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 603834890 DZUPUORARWKPKG-UHFFFAOYSA-N 393.469 -0.931 30 20 GBED CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 609282871 BTMLNVKOBBEQTN-CQSZACIVSA-N 385.424 -0.236 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 646951517 BWFJEGCJWMPKIP-AWEZNQCLSA-N 379.438 -0.044 30 20 GBED COCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 727211332 ONFMEXPRIDOPST-UHFFFAOYSA-N 395.437 -0.029 30 20 GBED C[C@@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(CN2CCOC[C@@H]2C#N)C1=O 736224669 UQISNXYQAXNMIR-GUYCJALGSA-N 382.384 -0.184 30 20 GBED CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 746394627 HFUIPYKDRPWTQN-UHFFFAOYSA-N 375.433 -0.642 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)CNc1ccc(-c2nn[nH]n2)cn1 826381226 CDVBGAXHRAEMBQ-UHFFFAOYSA-N 385.432 -0.252 30 20 GBED C#CC[C@H](NC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O)C(=O)OC 837944535 ALBMBSHGBINEBI-AEGPPILISA-N 382.438 -0.296 30 20 GBED C#CCCNS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(N(C)C)n[nH]2)cc1 848942194 ACJNGQFUQZYNGC-UHFFFAOYSA-N 398.470 -0.027 30 20 GBED COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 862040407 IQKXISSCKKTNJZ-ZYHUDNBSSA-N 377.357 -0.702 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)c1cncc(C(=O)O[C@H](C)C(=O)NCC#C)c1 919347597 ZQKHAFAKCGFHOB-CHWSQXEVSA-N 385.376 -0.329 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)nc2)C1 968470861 TZAFKLBSVDBGDU-OJLVUWQFSA-N 388.424 -0.537 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCc1cc(O)nc(CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 984134315 MSJVRRUNUZXSRQ-NDBYEHHHSA-N 389.412 -0.873 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@H]1O 1023942155 NBXOPSDCASSGRI-NHIYQJMISA-N 386.412 -0.593 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)nc2COC)C[C@H]1O 1025711529 YGFLSVYROSFQFI-CUBALJKWSA-N 378.429 -0.541 30 20 GBED N#Cc1cnc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)c(F)c1 1043790621 GEFZOWYJWOJRCA-BYNSBNAKSA-N 389.387 -0.459 30 20 GBED Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)n1 1090558163 CHQQXMVBIYEDLA-FPCVCCKLSA-N 387.440 -0.260 30 20 GBED CCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 1092922494 VPBUCOKFTWHEHZ-ZZVYKPCYSA-N 378.458 -0.098 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H]2CS(=O)(=O)C[C@@H]21 1108483697 RSIGOKNQAMYMQI-LJIZCISZSA-N 397.497 -0.834 30 20 GBED C=C(CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1262632847 UXYQQOFHKXCYMC-UXJCHEOYSA-N 394.468 -0.122 30 20 GBED CN(C)C(=O)COc1cccc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)c1 1329322741 SNGWRACSNWDOGA-LJQANCHMSA-N 388.424 -0.353 30 20 GBED C=CCn1c(CN2CCC(O)CC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1340451146 VBOJUZQLXWHIKW-INIZCTEOSA-N 378.477 -0.238 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1345220799 OVEOWCJHZQDFOF-AWEZNQCLSA-N 376.438 -0.490 30 20 GBED C#CCNC(=O)[C@H](C)N1CCCC2(CN(C(=O)[C@H](C)OCc3cnn[nH]3)C2)C1 1574985894 ONEQOVSUNLXVOM-GJZGRUSLSA-N 388.472 -0.228 30 20 GBED C#CCOCCC(=O)NC[C@H]1CN([C@H](C)C(=O)NCc2cnn[nH]2)CCCO1 1575014093 XIEOLRGNYXOSSH-ZBFHGGJFSA-N 392.460 -0.944 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@H](C)C1CN(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575075137 ZOLPVVOOQGEFIQ-DIFFPNOSSA-N 378.433 -0.899 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)c1 1581862931 QPZOZMIDFKLVSN-LLVKDONJSA-N 380.372 -0.508 30 20 GBED N#Cc1ccc(F)c(CNC(=O)CCn2cc(-c3nn[nH]n3)c(O)nc2=O)c1 1581871975 DIORAKNAMOYCSF-UHFFFAOYSA-N 384.331 -0.154 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588351145 GOTMTGNHXAGPRN-WFASDCNBSA-N 384.444 -0.131 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1c1cc(C)ncc1-c1nn[nH]n1 1588357342 LQYZZKLDTDJADY-KGLIPLIRSA-N 385.428 -0.070 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[nH]n2)C[C@@H]1O 1588504611 LSLDYHWKUZRGMW-KXEKKFMESA-N 399.864 -0.031 30 20 GBED C#CC1(O)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 1602691369 WVULPMXOZGSPQY-UHFFFAOYSA-N 378.370 -0.076 30 20 GBED C#CCN1CCC(C(=O)N[C@@H](C)CN(C)c2nccnc2-c2nn[nH]n2)CC1 1602717793 BMWYQHHSQUUUIE-ZDUSSCGKSA-N 383.460 -0.057 30 20 GBED C#CCOCCC(=O)NC[C@]1(O)CCN(c2snc(C)c2-c2nn[nH]n2)C1 1602729228 KQMVCUMBYHIOEK-MRXNPFEDSA-N 391.457 -0.271 30 20 GBED Cc1nc(S(=O)(=O)N2CCC(C(=O)N(CC#N)CC(=O)O)CC2)cn1C 1607967930 MSJYFJYOAKFOHH-UHFFFAOYSA-N 383.430 -0.434 30 20 GBED Cc1cc(NC(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)O)C2)nn1CCC#N 1610468696 ADFAYJJLZDJHFK-YVEFUNNKSA-N 375.385 -0.007 30 20 GBED N#CC1(CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CCOCC1 1640487338 RCJWMHNJSHFHPF-GFCCVEGCSA-N 382.442 -0.412 30 20 GBED Cc1cnc2c(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cnn2c1 1778528825 RSZIYWIPQZWFLF-IBGZPJMESA-N 397.391 -0.431 30 20 GBED CN1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)C1 1779105760 MBPJGNXQFRGZJL-KLYYFNTPSA-N 394.472 -0.093 30 20 GBED CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)CC#N)CCO4)C3)CC2)CC1 1781107790 ZPQPGGLSDKCCAX-SFHVURJKSA-N 375.473 -0.490 30 20 GBED NC[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1783562150 FZYDWMGPHLGLBE-JXFKEZNVSA-N 385.420 -0.353 30 20 GBED CNC(=S)NCCC(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785366114 APCXALYRMZBRAT-GOSISDBHSA-N 393.513 -0.006 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ncn1)C2 1793354042 KZHZQNIBWPRILY-NFFDBFGFSA-N 376.413 -0.024 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)n[nH]1 1795691041 AZVVXQZFTSSAIH-JJLQDPRZSA-N 390.444 -0.400 30 20 GBED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC(=O)NC)CCO2 1831263629 FBJRYXFDDDSZCU-LJQANCHMSA-N 397.472 -0.438 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1831492650 NMUMZWGFBVTVJE-JJRVBVJISA-N 387.502 -0.468 30 20 GBED CC(C)CNC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342549 UUZHFMPWKWPYJY-IBGZPJMESA-N 392.456 -0.481 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1835354638 SJNJKXIUIAQCHP-IBGZPJMESA-N 388.424 -0.392 30 20 GBED C[C@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837562881 SESSVAOMDBTFGM-YMHCHUIFSA-N 392.456 -0.250 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1839811416 SVJUNHHOODGGRN-IBGZPJMESA-N 395.456 -0.009 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1840041904 OMNQYSBCOITKER-LJQANCHMSA-N 387.392 -0.832 30 20 GBED CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 267551908 PJBWYKLFPHEJEY-JTQLQIEISA-N 384.389 -0.235 30 20 GBED C=CCNC(=O)CNC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 271983181 NTZQVENVRMBILX-UHFFFAOYSA-N 397.453 -0.065 30 20 GBED C[C@@H]1OCC[C@H]1/N=C(/O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 328944692 UWHJRHSRBWSHMF-UONOGXRCSA-N 375.495 -0.812 30 20 GBED Cn1cc(N2CCC[C@H](/N=C(/O)N3CCc4c(ncn(C)c4=O)C3)C2=O)cn1 330113547 SGBGDEBLLRFXBF-AWEZNQCLSA-N 385.428 -0.019 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCCc2c(cnn2C)C1 349461933 AHGRTUBGLVQJKF-LBPRGKRZSA-N 389.503 -0.280 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCS(=O)(=O)C[C@H](C)C3)CC2)o1 373023986 BOXAMLUUHMDVCQ-CYBMUJFWSA-N 395.485 -0.130 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)CCO1 410153017 XHCCOOUPRJEFRK-PWSUYJOCSA-N 377.369 -0.237 30 20 GBED C=CCOC[C@H](NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)OC 481748907 KMHNLOKQPHVTOO-LBPRGKRZSA-N 376.369 -0.894 30 20 GBED CN(CCCO)S(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 514873684 VSCFZMBJWWAISG-UHFFFAOYSA-N 386.455 -0.273 30 20 GBED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCC(=O)NCC#N)C1 553429409 BXYIXBWWAZHNLE-GFCCVEGCSA-N 382.446 -0.817 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CC(=O)N(C2CC2)C1 578379522 BNOUVVPRQZZBFQ-LLVKDONJSA-N 398.466 -0.470 30 20 GBED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 595980463 IQACTBHASHMYBS-IRXDYDNUSA-N 381.436 -0.157 30 20 GBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC1 728573531 ZFZRKQZXXHPGRV-INIZCTEOSA-N 385.468 -0.232 30 20 GBED C#CCOc1ccccc1CNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 746266447 FCFWYGQMMXNJHU-UHFFFAOYSA-N 390.421 -0.280 30 20 GBED CCN(CC)C(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 746433497 XNRLPLLORLOUOO-UHFFFAOYSA-N 375.433 -0.642 30 20 GBED CNC(=O)[C@@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCO1 758749306 AIALTJPHRWQLQH-AGIUHOORSA-N 381.433 -0.098 30 20 GBED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3cnn(CC)c3)c2=O)cn1 772302217 HNQJBBIAUNVGNI-UHFFFAOYSA-N 395.448 -0.339 30 20 GBED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)C1 785399423 QAZQFYINENJRJL-INIZCTEOSA-N 388.472 -0.046 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@@H](C)OC3(CCOCC3)C2)c1=O 790386111 IHOXLIRARGUXSS-OAHLLOKOSA-N 392.456 -0.229 30 20 GBED CN(CCC#N)C[C@H](O)CNCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 818973548 ZPOYLBJZTPUQQS-OAHLLOKOSA-N 383.493 -0.138 30 20 GBED C#CCn1c(=C(C#N)C#N)sc(=Cc2ccc(OC)c(-c3nn[nH]n3)c2)c1=O 823861333 DUSIOUISHBOMBV-UHFFFAOYSA-N 389.400 -0.242 30 20 GBED C[C@@H]1NC(=O)N(CCOC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 837319910 OGQFNPVFKYYKPR-JTQLQIEISA-N 394.409 -0.401 30 20 GBED CC(C)(C)OC(=O)N1CC(O)(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 847482309 JQMHYKVMGAQXMY-SEYXRHQNSA-N 380.401 -0.389 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](N2CCOC2=O)C1 855513225 LBOIIHRXLSMJIU-NSHDSACASA-N 378.410 -0.222 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@@H]1O 964169795 CEPLMVWGTVSVFT-GUSZCTEKSA-N 390.440 -0.547 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@@]2(C)C1 993453297 OEWVBOUEWGIOHW-DICRZQGBSA-N 390.484 -0.684 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C[C@@H]2NC(=O)NC2=O)cn1 997762195 HVTPCYDLPDAYIH-QPSCCSFWSA-N 381.392 -0.477 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)nn3cccnc23)C1 1023832546 OJONNDKQPSJKLT-TUVASFSCSA-N 385.424 -0.070 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnnc(O)c2)C[C@H]1O 1023918962 DSOYJHZPGGMPOO-NHIYQJMISA-N 376.413 -0.145 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2cnc(C(N)=O)n2)n1 1055461866 XONNYMOAADNSNY-UPJWGTAASA-N 381.400 -0.727 30 20 GBED COCCN(CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)c1ccnc(C#N)n1 1126568257 ISXPDENJIXEHQM-GRDNDAEWSA-N 375.429 -0.031 30 20 GBED N#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1ccccc1F 1205652949 FLIIEGUIEDFLOS-ORIJERBGSA-N 387.415 -0.529 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCO1 1257321326 SIAUBDJJAGYTLK-NVXWUHKLSA-N 399.451 -0.245 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCS(=O)(=O)CC1 1319229392 IDAMYQARWRATAV-LLVKDONJSA-N 385.467 -0.082 30 20 GBED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 1324851191 LVPKUZKKOWSHFM-OAHLLOKOSA-N 381.392 -0.165 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)CC1 1326911211 BMIFIIIKTPAOPT-GFCCVEGCSA-N 388.403 -0.385 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1C 1327608666 ABHRLQIEESEVOG-UHFFFAOYSA-N 397.407 -0.616 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 1346276380 JUBSLEVADMMCJM-KXEGMRRWSA-N 386.412 -0.242 30 20 GBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1OC 1573337110 UPNGOZGVHJXNIU-ZIAGYGMSSA-N 389.416 -0.257 30 20 GBED C[C@H](C#N)C(=O)N1CCN(C2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CC1 1573570715 SHABXOXOPRAHOF-LLVKDONJSA-N 383.416 -0.677 30 20 GBED C#CCOCCC(=O)NC[C@@H]1CN([C@H](C)C(=O)NCc2cnn[nH]2)CCCO1 1575014088 XIEOLRGNYXOSSH-GDBMZVCRSA-N 392.460 -0.944 30 20 GBED C#CC[C@H](COC)NC(=O)C(=O)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 1588331909 SRKAMVVJUSNUKW-CYBMUJFWSA-N 398.427 -0.935 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588351196 ISHZRALIMDNYIC-WFASDCNBSA-N 384.444 -0.131 30 20 GBED N#CCSCC(=O)NC[C@H]1COCCN1c1cncc(-c2nn[nH]n2)n1 1592679485 RSFKFQJKDGCMOC-JTQLQIEISA-N 375.418 -0.765 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN([C@H](C(=O)O)c1ccc(C#N)cc1)C2 1598134871 FBZQIJZSJPSYGZ-INIZCTEOSA-N 384.396 -0.354 30 20 GBED CO[C@]1(C(=O)O)CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 1599077455 XVNHWHNMZMFLJB-QGZVFWFLSA-N 377.401 -0.321 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CCCCNC(N)=O)[C@H](OC)C1 1757135334 GNUROBRKPNHUQI-APIJFGDWSA-N 382.461 -0.242 30 20 GBED CC(C)(C#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@H](O)CN2)C1 1780596370 IHPQNCRXNLDISG-XTDOFWJNSA-N 378.473 -0.227 30 20 GBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)n(C)c(=O)n3C)CCO2 1783050329 QSQFUMCZPMYMQF-HXUWFJFHSA-N 382.420 -0.046 30 20 GBED Cn1nncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1785466945 NHRGTPYCPVBTDX-XEZPLFJOSA-N 383.412 -0.078 30 20 GBED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1)N1CCN(C)CC1 1786705510 JCUQPYGRPKANEW-XSLAGTTESA-N 391.516 -0.094 30 20 GBED C=CC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1790825386 CCPYUBUPNSIXIW-YTFOTSKYSA-N 392.456 -0.224 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2 1792490303 UXNPKNUAJPFFTB-JFOCVIJASA-N 375.385 -0.869 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1808269580 PAVSVYXHDDSURQ-LTIDMASMSA-N 389.500 -0.054 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)COCCO)[C@@H]1c1cccnc1 1808628982 YKRNSPFVLGSDOD-KSSFIOAISA-N 375.381 -0.816 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1831421773 QYKYGCAFLJQTDL-VQIMIIECSA-N 392.456 -0.069 30 20 GBED CNCCCC(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1834714182 QCNRJPKKLVCDQI-UHFFFAOYSA-N 378.473 -0.354 30 20 GBED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1835646212 XFMDXNQQSFNECA-KRWDZBQOSA-N 380.445 -0.744 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2 1842919514 GMBUHZSOIGVUTR-ZDUSSCGKSA-N 378.477 -0.936 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O 1848128513 HBLNPIWBMMSERZ-CYDGBPFRSA-N 379.417 -0.413 30 20 GBED C#CCNC(=O)COC(=O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 27213447 FLISKBWVDYSSOE-UHFFFAOYSA-N 389.773 -0.181 30 20 GBED C=CC/N=C(\NCc1nnc(C)n1C)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 261948757 GRGRDKBNSPEMOC-INIZCTEOSA-N 388.520 -0.006 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2nnc(S)n2C)c1 264195882 RNZVGPMHSQRTMV-UHFFFAOYSA-N 379.467 -0.012 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(CCOC)C(=O)C2)cc1 271127397 IDLKULATHYFTLH-UHFFFAOYSA-N 388.424 -0.142 30 20 GBED COC(=O)N1CC(NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 271757823 SKMSYEKOFUJCQJ-UHFFFAOYSA-N 383.368 -0.297 30 20 GBED C=CC[C@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 273457959 HKYDZGSWJCMJRJ-BZPMIXESSA-N 399.425 -0.228 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21)c1cc[nH]n1 276613953 PYHYTLYJWUJBRX-KGOOTIHASA-N 377.401 -0.037 30 20 GBED Cn1c(S)nnc1CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 290177127 FPBNHDAJJFHIQD-UHFFFAOYSA-N 380.455 -0.387 30 20 GBED CC(C)(C)OC(=O)N1CCN2/C(=N\CCN3CCCS3(=O)=O)NC[C@H]2C1 304983636 AJPWRJWWGDPAQI-ZDUSSCGKSA-N 387.506 -0.098 30 20 GBED CN1C[C@H]2CN(S(=O)(=O)CCCS(=O)(=O)NC3(C#N)CC3)C[C@H]2C1 349486613 AVGGUWGRDSCVKD-BETUJISGSA-N 376.504 -0.825 30 20 GBED CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C1(C)C 349520233 JIVWTRVYUMCCMT-GFCCVEGCSA-N 394.519 -0.520 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C 349610415 JOXZYKSCSPXYTR-YRJUUEJZSA-N 399.560 -0.231 30 20 GBED N#Cc1ccc(OCC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 360146392 DAOIFEJDLSRAOP-HOTGVXAUSA-N 379.438 -0.449 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 408121529 OXXGGYVBTTXHCF-JKSUJKDBSA-N 385.534 -0.356 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCCN2CCNCC2)CCN1Cc1ccccc1 419861495 FEKFVRYAAXGFOX-SFHVURJKSA-N 384.484 -0.756 30 20 GBED N#Cc1ccc(CS(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)c(F)c1 424368060 OULJMDCAMRDNFU-LBPRGKRZSA-N 376.387 -0.289 30 20 GBED C[C@@H]1CN(CCOC2CCN(C(=O)NCC(=O)NCC#N)CC2)C[C@@H](C)O1 511900558 HVTJRRZBNUKWHL-HUUCEWRRSA-N 381.477 -0.074 30 20 GBED C[C@H](C#N)CNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 542876951 HYZZJTDAYCTYQY-CQSZACIVSA-N 380.474 -0.008 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)C1=O 554056870 LXEFUXWORYJPLZ-ULQDDVLXSA-N 392.500 -0.009 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCCO[C@@H](CF)C1 571701855 XYVQGTFBMPZNLM-LBPRGKRZSA-N 385.483 -0.012 30 20 GBED N#CC1(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 571939637 ONPFLSZUIQIMOW-UHFFFAOYSA-N 384.439 -0.858 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 573579105 OHUXGSUPJQPMRT-ZFWWWQNUSA-N 378.454 -0.465 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CCO)CCO)cc1 577005186 RBFCVHSXDRAWSG-LBPRGKRZSA-N 391.471 -0.806 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(=O)n(CC(N)=O)c1 593237097 GHKBHFGNYISUJF-LBPRGKRZSA-N 396.411 -0.262 30 20 GBED C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC#N)CC#N)cc2)C[C@@H]1O 594494284 FDKAXKNGOURUEA-DOMZBBRYSA-N 398.466 -0.274 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)C[C@H](CO)O1 595186253 KSFUAQYHXAWBJF-CHWSQXEVSA-N 378.454 -0.123 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1 600089354 ZSERXJNWPSMKET-ZDUSSCGKSA-N 390.396 -0.375 30 20 GBED Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 610902688 MHMFTLMPWARYCW-UHFFFAOYSA-N 379.442 -0.244 30 20 GBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N2CCN(C(=O)OCC)CC2)CC1 728570817 NQQVXWCLGWAXAF-INIZCTEOSA-N 393.488 -0.957 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](CNC(C)=O)C2)cc1 735472736 BKMHUYGBNDKLAX-OAHLLOKOSA-N 379.438 -0.425 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NC(=O)NC1CC1 767626312 GJPLEHPOTQFFPD-JTQLQIEISA-N 394.409 -0.244 30 20 GBED COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCCNc1ccc(C#N)cn1)CC2 809409137 MMHFFTVELBTSCP-ZDUSSCGKSA-N 398.427 -0.650 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@](F)(C#N)C1 848958410 NKXHFZXKSYTYOL-CYBMUJFWSA-N 376.435 -0.568 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](C)CN2CCCCC2)CC1 892178872 DQJUFACAQSGKKR-INIZCTEOSA-N 385.534 -0.097 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2cc(Br)nn2C)CC1 895923481 XGXHGTZGESJVEF-UHFFFAOYSA-N 376.280 -0.232 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC2CCN(CC)CC2)c1=O 899171321 DIAGYAJIKUDXCJ-UHFFFAOYSA-N 377.445 -0.856 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](C)C1 940453380 OVTTVKINLAZTTA-SYQHCUMBSA-N 378.429 -0.565 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(OC)ncn2)C1 963861988 DGMCOMIFRRSPRY-AEIGPULVSA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc3nn[nH]c3n2)C1 966972592 ISUYUTBLZMVBHT-RABLLNBGSA-N 386.412 -0.364 30 20 GBED N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nccnc2C(N)=O)c[nH]1 1002142496 FYJTXVKGYQDQLG-UPJWGTAASA-N 379.380 -0.049 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C[C@H]2O)nn1 1023769528 VZUUOVOESHLJLP-QZPUYBJASA-N 375.429 -0.419 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1O 1023907742 JOLWGMUFGQCYCJ-JLNYLFASSA-N 375.429 -0.268 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1O 1023960883 YLLAPUCAJUSCAJ-SYQHCUMBSA-N 377.397 -0.339 30 20 GBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C[C@H]1O 1024921385 FBXLYQPXKOFILM-MUIFIZLQSA-N 386.452 -0.265 30 20 GBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 1044660311 DHGFUYKCAJXMHU-WCXIOVBPSA-N 382.424 -0.079 30 20 GBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 1044661367 PEBZEGLBAOCZKT-DMRZNYOFSA-N 383.412 -0.684 30 20 GBED Cc1nc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2cnc(C(N)=O)n2)ccc1C#N 1055461836 VZWPMOFWTQGPML-MCIONIFRSA-N 380.412 -0.122 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@@H]1CCNC1=O 1109396388 COCFLJATRJZOGP-CRWXNKLISA-N 377.445 -0.754 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCNC(=O)[C@H]1CCCO1 1110200804 ZACICOOTLYAQCW-FXUDXRNXSA-N 378.473 -0.305 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1COCCN1C 1110450915 CHRCRHKALULJPO-KBXIAJHMSA-N 379.461 -0.950 30 20 GBED C=CCNc1nnc(S(=O)(=O)[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)s1 1115920481 LBDRZKLJDZEZQQ-RKDXNWHRSA-N 394.500 -0.399 30 20 GBED Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)nn1CCC#N 1319672142 FINIFFZTQBSGLO-CYBMUJFWSA-N 384.400 -0.301 30 20 GBED CCCN1CC[C@@H](CNC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1322961646 IOBHZKYCSBUKKI-ZGTROFRASA-N 377.445 -0.523 30 20 GBED Cc1ccc2nc(CNC(=O)C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cn2c1 1326181694 LGNHAWRZGQHBOS-WUKNDPDISA-N 396.407 -0.098 30 20 GBED N#CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 1329650407 UVKDOTDGFGOJEP-INIZCTEOSA-N 375.473 -0.095 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCN1Cc2ccccc2OCC1=O)[C@@H]1CCCO1 1333063386 CERCWAMPAZRMRK-RDJZCZTQSA-N 385.420 -0.179 30 20 GBED C=CCn1c(C2=NO[C@H](CO)C2)nnc1N1CCN(C(COC)COC)CC1 1342210452 ANZQEIMHXQJTIC-HNNXBMFYSA-N 394.476 -0.267 30 20 GBED N#CCOc1ccc(CNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 1346071817 MDWSYQUCOINUTC-UHFFFAOYSA-N 399.451 -0.372 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(N2CCOCC2)C1 1469684095 XSFMECSDXMBNKG-ZDUSSCGKSA-N 378.454 -0.232 30 20 GBED N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCC(F)F)CCO1 1521122399 VWTFWIYBOKHXFB-NSHDSACASA-N 397.386 -0.376 30 20 GBED CCS(=O)(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1552394754 OZXPETGBWGJWLT-ZDUSSCGKSA-N 394.461 -0.653 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[nH]n3)nn2)C1 1573310382 XEXAFCDBVHYRGF-IRXDYDNUSA-N 388.432 -0.569 30 20 GBED C=CCOCC(=O)N[C@@H](C)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1573343600 QWGHKDPIGHEJLT-SMDDNHRTSA-N 389.416 -0.257 30 20 GBED CC#CCN(Cc1cnn[nH]1)c1nnc(-c2cnn(C)c2)n1CCC(=O)NC 1575119214 WTDLICNNZUSYME-UHFFFAOYSA-N 382.432 -0.037 30 20 GBED N#CCSCC(=O)N1CC[C@@H]2[C@H](CCN2CC(=O)NCc2cnn[nH]2)C1 1577709975 KMVJKKSUFBURMM-TZMCWYRMSA-N 377.474 -0.400 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(N2CCOC[C@@H]2CNC(=O)CSCC#N)n1 1580673909 UBWUVRWAQUBVDJ-NSHDSACASA-N 389.445 -0.457 30 20 GBED N#Cc1cc(C(=O)NC[C@]2(O)CCN(c3ncccc3-c3nn[nH]n3)C2)c[nH]1 1581866282 XBXYYEOWHKBFIO-QGZVFWFLSA-N 379.384 -0.167 30 20 GBED C#CCNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588354681 VRDKLIMGKMMLFE-DYEKYZERSA-N 396.411 -0.804 30 20 GBED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(-n2cc(C(=O)O)nn2)c1 1588460999 BAHBDPDZMTZLDA-UHFFFAOYSA-N 384.396 -0.025 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](Cc1cncs1)C(=O)O 1601326810 UKNMIAVLCLIAAC-NSHDSACASA-N 394.434 -0.006 30 20 GBED C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H](C(=O)O)O1 1607466823 FNFHAFMJOSMXAL-GWCFXTLKSA-N 384.352 -0.222 30 20 GBED N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)NCCOc1ccc2c(c1)OCO2 1609497114 UICGMKIXPJNEBC-UHFFFAOYSA-N 382.340 -0.141 30 20 GBED N#Cc1cn(CCC(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)c(=O)nc1O 1635125686 GOBYSIBRRCTENG-DOMZBBRYSA-N 376.413 -0.105 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC1(O)CCC1 1723957638 OWJFUEKRQOPPJB-OLZOCXBDSA-N 398.489 -0.078 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1779311532 WFHFMRCIXDORJX-OGWOLHLISA-N 395.456 -0.994 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781421851 PFLMAQPRSHPYPC-KBXCAEBGSA-N 377.445 -0.319 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1783926681 IXIXZBBYHZQULM-ZMYBRWDISA-N 396.440 -0.530 30 20 GBED Cc1cn(CC(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)c(=O)nc1O 1785354130 XUOSFCCCSXBNMJ-QGZVFWFLSA-N 375.385 -0.999 30 20 GBED CCOC(=O)O[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1790610974 XTUAVHZCNMZQEE-XUXIUFHCSA-N 396.396 -0.384 30 20 GBED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)C1 1792440220 ALFKOSSNFUMDNH-YWVIFJGQSA-N 398.423 -0.413 30 20 GBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1795417356 CHIQPMCBPIHTMX-DRXBFXEBSA-N 386.412 -0.867 30 20 GBED C[C@@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1799289556 IBCXSZQDGFZLJK-KMXMKJFTSA-N 396.444 -0.761 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@H]2CNC(=O)C2)[C@H]1c1cccnc1 1812642151 AXSVKMJWCZMBRZ-HBUWYVDXSA-N 384.392 -0.689 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(OC)OC)CCO2)C1 1831028390 KMXLXSINSNFVFY-RDTXWAMCSA-N 386.445 -0.347 30 20 GBED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1831183176 PWYWWHHYTQAAOF-KBXCAEBGSA-N 380.445 -0.339 30 20 GBED N#CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527902 ZWDHWUHIJFHIJH-CLBJDOSESA-N 394.428 -0.115 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](N)CN)CC3)CC2)c1 1838073797 HFFHLLWSVRPDMI-INIZCTEOSA-N 388.472 -0.215 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041216 YNJJIKIXSWRRSZ-QGZVFWFLSA-N 382.438 -0.550 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840233567 VGNAYCXIABNIBG-OGHNNQOOSA-N 385.486 -0.713 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840381419 JLJSPHLYUBCMNT-MRXNPFEDSA-N 381.458 -0.071 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1841601301 KPVGRSGHLZJNJS-LSDHHAIUSA-N 399.451 -0.163 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1 1841892106 ULWYADTYGVKJTQ-UHFFFAOYSA-N 392.412 -0.749 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(N)(=O)=O)CC2)c1 263700960 KROGFEHGNFCPAG-UHFFFAOYSA-N 388.471 -0.888 30 20 GBED N#C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCO1 266805568 DQMYPOUINTXSRS-YPMHNXCESA-N 378.410 -0.562 30 20 GBED COC(=O)[C@H](c1cccc(C#N)c1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 270842014 GDDLDIDPWUNCMG-BBWFWOEESA-N 393.465 -0.452 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC[C@@H](O)COC)cc1 270854684 KLTWVPQBCYUSLL-CQSZACIVSA-N 399.469 -0.055 30 20 GBED CN1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 332293286 NSCJBLAQTJTCHM-UHFFFAOYSA-N 391.453 -0.877 30 20 GBED CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(OC)nn1 349465016 XPUWEOYCUQRRSL-UHFFFAOYSA-N 376.460 -0.098 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](n2cccn2)C1 349509262 XMRWWEDUAMRILZ-STQMWFEESA-N 375.476 -0.319 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)C[C@@H](C)N1C 349516097 XMLWNINISPRUIO-BETUJISGSA-N 378.520 -0.294 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC(=O)NC[C@H]2C(=O)OC)c1 447928699 IHUIECIWEWLETH-ZDUSSCGKSA-N 381.410 -0.736 30 20 GBED Cc1nn(C)c(N2CCN(S(=O)(=O)CCCN3CCOCC3)CC2)c1C#N 472206989 JYSFTMYNXRCYSL-UHFFFAOYSA-N 396.517 -0.226 30 20 GBED CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 510361300 IOGNVWVJVQYHSB-AWEZNQCLSA-N 396.535 -0.162 30 20 GBED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)NCCn1cnc(C#N)n1 565736698 HMMNFUGWXWGZIP-LBPRGKRZSA-N 384.466 -0.890 30 20 GBED CNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 570649559 PGEYDDCGEBRFAB-UHFFFAOYSA-N 388.471 -0.461 30 20 GBED CC(C)N1C(=O)C[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O 570734641 IPDTUKMVBBEKPV-CYBMUJFWSA-N 378.410 -0.511 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2C)cc1 573625356 ZZLTWTGEISBKKR-WDEREUQCSA-N 386.455 -0.614 30 20 GBED N#Cc1ccc(CCNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)cc1 595079210 IQPCJALMEMDPKA-UHFFFAOYSA-N 396.451 0.384 30 20 GBED COCCN(CCC#N)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 610391764 OGHRIKCQCGBIIU-UHFFFAOYSA-N 386.460 -0.126 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 646950761 KEJAIQJTFBVMJY-LBPRGKRZSA-N 385.417 -0.095 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCCN2C(=O)CNC2=O)C1 758469805 GCDCFKZUHCSELC-NEPJUHHUSA-N 394.432 -0.013 30 20 GBED CS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 788390517 CRUDWCFFQOCSOW-AWEZNQCLSA-N 392.437 -0.669 30 20 GBED C#CCN(C)CCCNC(=O)Cc1c(C)nn(-c2cncc3nnnn23)c1C 818593242 QTOYXBVDZHJOQN-UHFFFAOYSA-N 381.444 -0.064 30 20 GBED C/N=C(/NCCCN1C(=O)NC2(CCCC2)C1=O)NCCN1CCOCC1 849056433 PPQRIDYLGCLPPI-UHFFFAOYSA-N 380.493 -0.262 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1OC 946822380 SDRSVJYEYSUEBW-LVQVYYBASA-N 375.425 -0.219 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C)cc2=O)C[C@@H]1O 964477403 YOHGZSUUBVCPPV-YVVXQTMVSA-N 375.425 -0.034 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccnn2CCOC)C1 967890107 XJDALXSRRLQXOG-JHNDHUHGSA-N 392.456 -0.188 30 20 GBED O=C(N[C@H]1CC(=O)N(C2CN(C(=O)C#CC3CC3)C2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 995487677 MRTCYRMXNVXGGF-DLHZGZTKSA-N 383.448 -0.249 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)nc2COC)C[C@H]1O 1023960471 NBYSZYBZHXXTSK-WNOSKKOXSA-N 392.456 -0.151 30 20 GBED C=CCOCC(=O)N[C@@]1(CO)CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1055832408 WKJSCHGBIXYVTC-BVYOLEPJSA-N 382.457 -0.290 30 20 GBED CN1CC[C@](O)(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1254877606 ZBBPVCMXZRIIKK-KXBFYZLASA-N 385.424 -0.054 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 1320859103 BYOSBHYEZVOOBL-AAEUAGOBSA-N 385.467 -0.224 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NC2CCN(c3cccnn3)CC2)CCN1C1CC1 1332465764 NBGZKLCTTMZQHZ-INIZCTEOSA-N 383.456 -0.240 30 20 GBED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccnc1C#N 1339027124 BOPROXODXMXUDV-NSHDSACASA-N 386.455 -0.733 30 20 GBED C=CCn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@@]1(C)CNC(=O)C1 1340207187 MHPPQOJKPNTQOM-LJQANCHMSA-N 389.504 -0.112 30 20 GBED Cn1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C(F)F)n1 1343614391 HLVMLDYTZKCFNE-UHFFFAOYSA-N 376.345 -0.933 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@@H]2CCCCS2)CC1 1344045461 FCERSEBOYSJJHS-ZDUSSCGKSA-N 385.519 -0.452 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1346609665 DKRXKPSDDRAVNP-OAHLLOKOSA-N 380.514 -0.376 30 20 GBED C#CCN(C(=O)Cc1c(C)nc(O)nc1O)C1CCN(Cc2cnn[nH]2)CC1 1574927993 FEDYWLASGHLARX-UHFFFAOYSA-N 385.428 -0.017 30 20 GBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)CCOCc2cnn[nH]2)CC1 1575004682 IVARFNYMRJALMZ-CQSZACIVSA-N 390.444 -0.652 30 20 GBED C=C[C@](C)(O)CC(=O)NCC1=CCN([C@H](C)C(=O)NCc2cnn[nH]2)CC1 1575071796 CQIDQDBHIHECOC-ACJLOTCBSA-N 376.461 -0.115 30 20 GBED C=C[C@@](C)(O)CC(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575072586 KJQCNMNHWUQOGM-MAUKXSAKSA-N 376.461 -0.235 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)N(CC)C(=O)CC(=O)NCc1cnn[nH]1 1575111804 LIJQEKKSKKRSQG-YUELXQCFSA-N 392.460 -0.245 30 20 GBED C#CCN(CC#CC)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1CC1CC1 1588350163 GLVXELPNUOCRKI-UHFFFAOYSA-N 377.416 -0.029 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCN1c1cncc(-c2nn[nH]n2)n1 1602721675 SBCQKTWQOJILAO-HIFRSBDPSA-N 381.444 -0.161 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cn2cncn2)C(=O)O)c1 1602905075 SUFDHEDWXFNTCI-CYBMUJFWSA-N 379.398 -0.374 30 20 GBED Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1612609365 ZZYGHDXNIAKNCN-ZDUSSCGKSA-N 386.503 -0.306 30 20 GBED C[C@H](CC(=O)N1CCOC[C@H]1CC(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 1638228026 RJKYZEXUPQGBJY-VXGBXAGGSA-N 394.453 -0.394 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779529259 YSBWOBQJCWORBT-MGPLVRAMSA-N 380.426 -0.063 30 20 GBED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC(N)=O)C3)cc1 1792558856 GICMERBBFRBFBM-CWPLJXCYSA-N 384.436 -0.044 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C 1792624899 CVNBYRHJIJKLLX-YWVIFJGQSA-N 384.502 -0.234 30 20 GBED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)ncn1 1794367627 QIMKIBFVVJJMMT-GNXNZQSNSA-N 387.396 -0.072 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]nc2ccncc12 1796213887 KCALOLXVSHTPCP-CULMDFNYSA-N 383.364 -0.751 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2sc(C)cn2c1=O 1797063546 NQYWADMBUIMHOI-JJLQDPRZSA-N 386.433 -0.099 30 20 GBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)NCc1ccco1 1797891735 YRHHZYCSDXXQQU-GFYLOJAKSA-N 386.408 -0.045 30 20 GBED N#CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1814487894 KBIHGLXYGZGKPY-PSASIEDQSA-N 390.425 -0.043 30 20 GBED N#CC1(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](N)CCC(N)=O)sc3C2)CC1 1814802035 NVQYHFYLGSGBCG-ZJUUUORDSA-N 390.469 -0.048 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](CC)NC(N)=O)C3)C2)C1 1829668111 GXTIQCJDVSNLQP-KXBFYZLASA-N 394.472 -0.144 30 20 GBED CC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831129921 ABWJUUXEHOSRBX-SFHVURJKSA-N 380.397 -0.854 30 20 GBED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834767187 ADQCQYGADJUWHR-GOSISDBHSA-N 381.429 -0.054 30 20 GBED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835127030 CUHYNHVJJSKTPO-ZRGWGRIASA-N 379.457 -0.066 30 20 GBED CSCC[C@@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835347950 KXIBTLZDLRCXQF-RDTXWAMCSA-N 397.497 -0.139 30 20 GBED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)n1ccnn1 1835362305 KYOFRNFOUVIZEU-RHSMWYFYSA-N 376.417 -0.401 30 20 GBED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1 1835703675 WUPOBAITPZVTLW-LLVKDONJSA-N 381.502 -0.248 30 20 GBED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)n[nH]1 1836282717 TYCHERZFBLWXQM-SFHVURJKSA-N 390.396 -0.870 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCS(C)(=O)=O 1847261976 RKCWRRBVPGALCJ-MRYXHSKJSA-N 383.470 -0.519 30 20 GBED C#CCNc1nc(N(CCC)CC(=O)NC)nc(N(CCC)CC(=O)NC)n1 287497546 YOFXGFYNGRXCLL-UHFFFAOYSA-N 390.492 -0.159 30 20 GBED CC(=O)NCCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 288779237 DIZOGZXLOYSLOS-MRXNPFEDSA-N 385.424 -0.188 30 20 GBED Cn1ccnc1[C@H]1OCC[C@@H]1/N=C(/O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 329021291 HYLRYDILZYWJGB-GWCFXTLKSA-N 387.400 -0.346 30 20 GBED C[C@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cccc(C#N)n1 349468819 ADHHLIOMXRZBFR-LLVKDONJSA-N 376.460 -0.273 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N1C[C@]2(CCCO2)[C@@H]1C1CC1 349475827 GEWITDBXLGAPTB-UONOGXRCSA-N 377.488 -0.207 30 20 GBED N#CCC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)Nc2cccnc2)C1 349603528 BRSWMRSTHSIEMJ-UHFFFAOYSA-N 388.471 -0.106 30 20 GBED COCCN(C)CCNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460607258 MSCCOQNKPARRDM-UHFFFAOYSA-N 385.428 0.080 30 20 GBED Cc1nn(C)c(N2CCN([C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N 472156785 NISAFLRKNHMIHY-UONOGXRCSA-N 394.501 -0.586 30 20 GBED N#Cc1ncn(CCNC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)n1 510615659 NTUIRSAHEOYHAR-ZDUSSCGKSA-N 399.411 -0.226 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(N3CCNC3=O)CC2)c1 554978446 LANNVNJLFNUNNE-UHFFFAOYSA-N 391.453 -0.147 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1 572687067 MQPDWJKQPSBOGL-GFCCVEGCSA-N 386.455 -0.884 30 20 GBED C=C(C)Cn1c(COCC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 574260030 WZBAOWFWDORKCQ-UHFFFAOYSA-N 375.437 -0.274 30 20 GBED CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@@](O)(CC#N)C3)cc2)CC1 592304121 CXWCHBBWGMFYAX-FQEVSTJZSA-N 399.451 -0.110 30 20 GBED CCN1C[C@@H](CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1=O 593933502 CWCPOUOVOJGOCS-OAHLLOKOSA-N 384.440 -0.414 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCn2cncn2)cc1 594627279 ZSCXWCXLRWABSJ-LBPRGKRZSA-N 398.470 -0.211 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)C3CC3)CC2)cc1 603593237 ZIAUYRAWZNHREN-UHFFFAOYSA-N 376.438 -0.083 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 728535619 AYNMFVGSRZIXRS-ARFHVFGLSA-N 388.468 -0.556 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)CC1 728573083 KABBINPWONWKPG-HZPDHXFCSA-N 377.489 -0.242 30 20 GBED CC[C@@H](C)NC(=O)CN1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 735846420 UIBRCKJGXBQSGN-ORIGZDJFSA-N 391.472 -0.038 30 20 GBED C#CCNC(=O)COc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 747836132 RRLGFJNMOPFBJM-UHFFFAOYSA-N 379.438 -0.468 30 20 GBED CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767678557 YKCCWPAXIHNJMN-NXEZZACHSA-N 382.398 -0.388 30 20 GBED C#CCC[C@H](O)CNC(=O)c1cc(S(=O)(=O)NC[C@H](O)CCC#C)c[nH]1 798488237 KJZSTWAFHXHENE-UONOGXRCSA-N 381.454 -0.429 30 20 GBED COC(=O)[C@H](Cn1ccnc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 811216574 NTJYBNODTIGDQS-AWEZNQCLSA-N 391.409 -0.609 30 20 GBED C#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 816673757 HVRFGASDWJWVAJ-CYBMUJFWSA-N 382.438 -0.170 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C(=O)Nc2c(C)cccc2C)CC1 831565157 OCNLUMCCDASNDX-UHFFFAOYSA-N 378.454 -0.146 30 20 GBED CC1(C)OCC(CO)(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CO1 834478922 DLDPYKHOLLDJLR-UHFFFAOYSA-N 383.426 -0.533 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CC1CCN(S(C)(=O)=O)CC1 848844264 PPEAAIMZWRQNMQ-NSHDSACASA-N 375.447 -0.008 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](N2CCOC2=O)C1 852904517 LGOALMYCUVWYRL-NWDGAFQWSA-N 394.475 -0.936 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCN(C(C)C)C2)CC1 892825428 ZBTNJFSKIFQVHV-MRXNPFEDSA-N 385.534 -0.098 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](OC)C1 942522245 UZHVJVOUOYXFDC-CRNXPOROSA-N 390.440 -0.283 30 20 GBED N#Cc1nccnc1N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1Cc2cncn2C(=O)N1 1055261233 VNILHGLCYJVBGT-HTUGSXCWSA-N 378.396 -0.047 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C1CC1)N1CCOCC1 1111433394 ZFJMOTJMQNVOCN-CBZIJGRNSA-N 375.473 -0.542 30 20 GBED N#Cc1cn(CCC(=O)N2CCn3c(nnc3C(F)(F)F)C2)c(=O)nc1O 1136872413 ODAJBTPWROVHCQ-UHFFFAOYSA-N 383.290 -0.137 30 20 GBED C=CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1320011580 ZCAZUYYGWMQFGQ-UHFFFAOYSA-N 390.487 -0.239 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CCC(=O)N2CCC(O)CC2)CC1 1320398802 LDOREBFMBJFDQH-UHFFFAOYSA-N 378.473 -0.966 30 20 GBED CC(=O)NCC(=O)NCC(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O 1321166302 CEXARLGAHFSOQV-UHFFFAOYSA-N 398.217 -0.578 30 20 GBED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1 1324123748 UHUGYVDCSIOCPO-UHFFFAOYSA-N 381.458 -0.535 30 20 GBED CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 1325094651 HQVSXAQRGWORAQ-OAHLLOKOSA-N 377.422 -0.207 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)nn1 1326718185 GLYRGJUKTKOSGN-UHFFFAOYSA-N 378.433 -0.824 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CCN1C1CC1 1331031862 XTJPTCONMSSTJP-HZPDHXFCSA-N 389.456 -0.919 30 20 GBED C=CCn1cnnc1S(=O)(=O)CC(=O)NCc1ccc(S(C)(=O)=O)cc1 1331837534 IMQMRILWMZMYEC-UHFFFAOYSA-N 398.466 -0.042 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CC[C@@H](C3OCCO3)C2)CC1 1338198586 JEAPGLBSHKUXBS-OAHLLOKOSA-N 385.424 -0.177 30 20 GBED C=CCn1c(CC2CC(O)C2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 1338626325 QUOAMNTWDPLKBT-UHFFFAOYSA-N 384.506 -0.294 30 20 GBED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)NCc1cccc(OCC#N)c1 1346351132 FGUWMLNHSOGRNN-CQSZACIVSA-N 394.453 -0.255 30 20 GBED N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC(=O)NCC2CC2)CCO1 1555995386 PGWNWFVFOINMLO-AWEZNQCLSA-N 387.444 -0.345 30 20 GBED C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CCN(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575072955 MJCDIIVIZFEPNH-ACJLOTCBSA-N 392.460 -0.243 30 20 GBED C[C@H](OCc1cnn[nH]1)C(=O)N[C@H]1CC[C@H](CNCC(=O)NCC#N)CC1 1575889742 SBOIZUKTJICNSP-IHRRRGAJSA-N 377.449 -0.386 30 20 GBED Cc1cc(=NC[C@@H](O)CN(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)c(C#N)c[nH]1 1581015918 WVGUOGKQCPMTJG-GFCCVEGCSA-N 381.400 -0.263 30 20 GBED C#CC1CCN(C(=O)C(=O)N2CCN(c3ncccc3-c3nn[nH]n3)CC2)CC1 1588332531 MKCNDFSCDFUCMQ-UHFFFAOYSA-N 394.439 -0.218 30 20 GBED C#CCNC(=O)CC(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588354040 DUWQZCODSAAVBE-GFCCVEGCSA-N 384.400 -0.945 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)nc1 1588366994 FENGVXAIKMCQBG-TZMCWYRMSA-N 391.395 -0.597 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)O)cc2)c(=O)n1C 1599243106 XUTCIYYAOYPMNZ-UHFFFAOYSA-N 387.417 -0.589 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O 1602752912 ITUGHJXRPOSWAQ-JQWIXIFHSA-N 390.404 -0.591 30 20 GBED CN(C[C@@H](O)CN(C)c1ccc(-c2nn[nH]n2)nn1)C(=O)c1cc(C#N)c[nH]1 1604720750 XSJSYRLDPJQOML-NSHDSACASA-N 382.388 -0.574 30 20 GBED COC(=O)[C@@H]1C[C@H](C(=O)O)CCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 1606369746 GQFKYXWVRCZMDX-NFYHWTQCSA-N 379.369 -0.232 30 20 GBED N#Cc1nccc(N2CCO[C@@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 1606398637 OTBHVWFGJLZAGS-NSHDSACASA-N 380.372 -0.508 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1778968623 UAHJBVKFEWBVDM-VEVIJQCQSA-N 381.429 -0.502 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1778975017 WBLSCHKBQHVFBM-BIENJYKASA-N 379.457 -0.475 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)no2)C1 1779807017 GFTURFFVAPJWKH-SJKOYZFVSA-N 377.353 -0.404 30 20 GBED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1 1781317426 MTGGOCMGDMPUNJ-HXUWFJFHSA-N 394.468 -0.476 30 20 GBED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)C(O)O)CCO4)c2c1 1782194716 OYLFMIXCDQRUOF-GOSISDBHSA-N 385.380 -0.811 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1783211093 AHXBJYWVQFJTJF-KDOFPFPSSA-N 378.425 -0.192 30 20 GBED C#CCCCCC(=O)N1CC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1784197592 MGDWFAGPDOBEGF-DNVCBOLYSA-N 378.473 -0.397 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)nn3)C[C@@H]21 1784478926 PLIYKBPISIUSSB-HOSILWTGSA-N 388.424 -0.186 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](NC)C(=O)O)C[C@@H]21 1784479493 DAJWPQRQSXADNB-YXMSTPNBSA-N 395.456 -0.933 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N(C)C(C)=O)[C@H]2C1 1787513444 HFPWJYJZJSDDSO-SSGTUYFUSA-N 393.484 -0.129 30 20 GBED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21)C(F)(F)F 1790884837 RYAHMAXZKROWAG-DCAQKATOSA-N 378.351 -0.247 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN(C)C(C)=O)C2 1793340808 ONLKRNRVHQDNIR-SCNOPHJPSA-N 379.457 -0.517 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)c1ccccn1)C2 1793342881 XKXLPBADDWKLBY-OSBBLCOHSA-N 386.452 -0.291 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1793346780 MBTCVCNENOPMNX-VUWABONQSA-N 396.440 -0.770 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 1795391289 WMKJKZVZISCWKK-JAAXMTQOSA-N 380.445 -0.345 30 20 GBED CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](S)C(C)C)C2)C(=O)O 1795640692 BXOIIPFSABZDAE-XXUMUBMXSA-N 387.502 -0.407 30 20 GBED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)[nH]n1 1822202573 WKHZCDGOYCPIIL-DRZSPHRISA-N 375.385 -0.787 30 20 GBED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)Cn2ccncc2=O)[nH]n1 1822205300 HJYXOBGTBAEQHI-ZDUSSCGKSA-N 398.379 -0.253 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1833478561 OKSAOFWPJLKCJU-SFHVURJKSA-N 377.397 -0.268 30 20 GBED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cncnc3)CC2)CC1 1834237721 BQBXFBRHWXIMFT-UHFFFAOYSA-N 385.424 -0.250 30 20 GBED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1)n1ccnn1 1835362304 KYOFRNFOUVIZEU-PBHICJAKSA-N 376.417 -0.401 30 20 GBED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835564686 PGUYMQCTHHXGDQ-ZRGWGRIASA-N 396.488 -0.752 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836141847 ASKCKMVMMPPHOB-GOEBONIOSA-N 398.489 -0.916 30 20 GBED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2)C(F)(F)F 1836353589 DVUXSBBEANULFD-AWEZNQCLSA-N 389.334 -0.007 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1839807655 IXTYITDUJFYRFT-FQEVSTJZSA-N 398.419 -0.331 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840043248 NSGRPXRCNLWADW-GOSISDBHSA-N 386.364 -0.956 30 20 GBED CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840157356 MANVOOXNLJURJP-SWLSCSKDSA-N 394.515 -0.804 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 16735776 DSSXRKRITZTEDK-UHFFFAOYSA-N 392.437 -0.750 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cn1 263685109 JXIHPKUFNOLRJE-UHFFFAOYSA-N 377.426 -0.591 30 20 GBED CSCCn1c(=O)/c(=C/c2ccnn2C)s/c1=C(\C#N)C(=O)NC1CC1 269732709 GVMSDOZOQJVRQO-UGSCKMHUSA-N 389.506 -0.212 30 20 GBED CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 277972879 VETRAKLYYFRIDB-QGZVFWFLSA-N 399.451 -0.192 30 20 GBED Cc1nnc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c(C#N)c1C 298292221 JJPJNDURHFZLML-UHFFFAOYSA-N 379.490 -0.421 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)C1=O 364010357 DKOULEDLJPHZQM-AWEZNQCLSA-N 384.392 -0.120 30 20 GBED NS(=O)(=O)[C@@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 370937587 VCQBYFJLAXUKSA-SNVBAGLBSA-N 386.455 -0.995 30 20 GBED C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCN1c1nccn2cnnc12 409514253 ASXGPXAKYCGARV-OLZOCXBDSA-N 392.445 -0.896 30 20 GBED N#Cc1cccc(CCNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)c1 419707253 LVXNPCVUXOFUFQ-GOSISDBHSA-N 397.479 -0.113 30 20 GBED C=C(C)Cn1c(SCC(=O)NC(C(N)=O)C(N)=O)nnc1-c1ccco1 480419051 PNFPZIXDZLUVKN-UHFFFAOYSA-N 378.414 -0.338 30 20 GBED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C2CC2)c1=O 505693619 GSAIETNOZLQQDQ-UHFFFAOYSA-N 399.476 -0.352 30 20 GBED C=CCCO[C@@H](C)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 522860411 SHNWWPWLUOZKOM-LSDHHAIUSA-N 387.502 -0.585 30 20 GBED N#CCNC(=O)CNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 553654154 YPDDZVVEOUAWBI-UHFFFAOYSA-N 394.453 -0.604 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)c1 564761199 DLQXHIUAKUWESA-QGZVFWFLSA-N 376.438 -0.035 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NCCN2CCCC2=O)cc1 571657380 LPVWDYMHVLRCIG-UHFFFAOYSA-N 386.455 -0.611 30 20 GBED N#Cc1ncn(CCNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)n1 586828221 DAPWGEZPRGGEFX-UHFFFAOYSA-N 379.380 -0.662 30 20 GBED CN1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)[C@H](CN)C1 591582531 AWIMXVWWVNGXMB-ZWKOTPCHSA-N 384.484 -0.676 30 20 GBED CC#CC[C@@H](CO)NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 592920937 GRZFBKGWYGJQMW-NSHDSACASA-N 384.414 -0.065 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncc(C#N)s2)CC1 594637157 NCCMBSUWMJIJTA-UHFFFAOYSA-N 393.516 -0.276 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(C(=O)O)cc2)C1=O 736107589 ZJNNDBNIQOCBSF-UHFFFAOYSA-N 389.320 -0.157 30 20 GBED COC(=O)CN(CC#N)C(=O)c1ccc(C(=O)N(CC#N)CC(=O)O)s1 737606320 YJTWTSXSJVWMKM-UHFFFAOYSA-N 378.366 -0.063 30 20 GBED CCN1CCN(CC(=O)NS(=O)(=O)c2ccc(C#N)cc2OC)C(=O)C1=O 766991105 UXLKTTQAPWSVCH-UHFFFAOYSA-N 394.409 -0.938 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CCCC4(C3)OCCO4)CC2)c1 839226699 FQJQZHAPULGHGE-UHFFFAOYSA-N 385.424 -0.033 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)Cc2c(F)cccc2F)CC1 872515569 QOIXTFDTKDIJGL-UHFFFAOYSA-N 393.437 -0.120 30 20 GBED CCOCCCNC(=O)[C@H](C#N)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 916867968 IKGGELDTISXFTA-CYBMUJFWSA-N 380.426 -0.264 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1O 964193617 OBOUFGWLJWIXOS-DFGXFYAUSA-N 381.473 -0.622 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@H]2C1 986700649 CLCSVWHYUIULEM-QXSJWSMHSA-N 389.456 -0.520 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccccc2C(N)=O)C1 1024988804 OOPQWPWQASPDPB-VQHPVUNQSA-N 387.436 -0.393 30 20 GBED C#CCOCCC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1061764529 RWIOMXVPPZIIQN-NBOOPKSLSA-N 380.441 -0.579 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@@H]1O 1083848682 SGHDGUDDOLEXPT-KRXQYRFLSA-N 379.457 -0.332 30 20 GBED NC(=O)c1cccnc1N1CCN(C(=O)C(=O)NCC#Cc2ccccc2)CC1 1256944832 WARQSYZMTRCAPX-UHFFFAOYSA-N 391.431 -0.003 30 20 GBED C#C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1)[C@@H]1CCCO1 1321208239 HMNJIMJTMGIKPN-CABCVRRESA-N 386.408 -0.602 30 20 GBED CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)NCc2ccc(C#N)c(Cl)c2)C1 1327548752 VCPIUMXNFHYGOF-LBPRGKRZSA-N 384.845 -0.022 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC([C@H](O)c3ccnn3C)CC2)nn1 1331373316 ONHMXFWSXBVXNP-INIZCTEOSA-N 387.444 -0.214 30 20 GBED C[C@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCN1c1nccn2cnnc12 1332371544 GEENKEIRRCORSQ-SCLBCKFNSA-N 398.427 -0.962 30 20 GBED N#Cc1ccc(OC[C@H](O)CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 1341438709 XENQBAOCOKWGAU-KBAYOESNSA-N 395.481 -0.927 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[nH]n3)nn2)C1 1573310383 XEXAFCDBVHYRGF-SJORKVTESA-N 388.432 -0.569 30 20 GBED C[C@H](C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 1573569821 FUKLJZTVFFFFNO-PIGZYNQJSA-N 384.400 -0.202 30 20 GBED C#CCNC(=O)[C@H](C)N(C)C[C@@H](C)NC(=O)C1CCN(Cc2cnn[nH]2)CC1 1574986179 UNUQJNJXECYJMO-CABCVRRESA-N 389.504 -0.409 30 20 GBED N#CCSCC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2cnn[nH]2)nc1 1577710330 YAHNOUVBYJZAAJ-LLVKDONJSA-N 375.414 -0.670 30 20 GBED CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1ccc(C#N)[nH]1 1579029125 SDWRQOJQGVFBBK-NSHDSACASA-N 382.388 -0.574 30 20 GBED C#CCOCCC(=O)N[C@H]1CCN(c2ncc(-c3nn[nH]n3)cc2F)C[C@@H]1O 1588361510 OVGIGMMCVVSNNS-KBPBESRZSA-N 389.391 -0.504 30 20 GBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@@H]32)nn1 1588713179 HJRADVKYYBMXLW-JYAVWHMHSA-N 378.400 -0.096 30 20 GBED Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)c1-c1nn[nH]n1 1592478390 VGPWYWDXPBJQGE-RKDXNWHRSA-N 380.459 -0.446 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@@H]1CC(=O)O 1593334380 PWCCUMUBCILPCE-YPMHNXCESA-N 381.410 -0.073 30 20 GBED C#CCOCCNC(=O)C(=O)N[C@H]1CCN(c2sccc2C(=O)O)C1=O 1602728036 JXUPJNVWKYVNGP-NSHDSACASA-N 379.394 -0.566 30 20 GBED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCN(C)C1 1706625909 YMEUGEHSZVGBOE-CXAGYDPISA-N 377.449 -0.788 30 20 GBED CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1747416203 QVZLJHWOROYFEV-CYBMUJFWSA-N 379.446 -0.158 30 20 GBED NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779422157 UPRJPRQZAJUHTR-XLWFFCGQSA-N 382.461 -0.012 30 20 GBED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1784373596 DSGDJUZBSBKQBR-VQIMIIECSA-N 389.456 -0.137 30 20 GBED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1)C(F)(F)F 1786808336 NRWJDTZVTVOPTJ-DCAQKATOSA-N 377.367 -0.432 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccc3F)C[C@@H]21 1791075627 GQGHKJROQAXBMY-WHOFXGATSA-N 375.356 -0.098 30 20 GBED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1792172448 IAQFSFDJVOTORT-OVWQWFNUSA-N 379.457 -0.970 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597435 KCYFBOZXNUYMDZ-NXOAAHMSSA-N 390.484 -0.104 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2 1797709959 PFMDWNWGTQWUQA-USRAEIGSSA-N 379.457 -0.715 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCC(=O)O 1801020296 FOIDBBZBKDUAOF-NFFDBFGFSA-N 384.454 -0.568 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1829773626 OVHYAYUYNQYDHA-SYCBYCMTSA-N 397.497 -0.381 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1829960172 PQAPKNRWBPSMGI-OXQOHEQNSA-N 391.468 -0.228 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(OC)OC)C2)C1 1831388389 RYZUEIPOHUXEAV-KDOFPFPSSA-N 384.429 -0.900 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCOCC)C2)C1 1831403237 ZGPFDKHQMBNJCT-LPHOPBHVSA-N 382.457 -0.092 30 20 GBED C[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682755 UZRIFCOJFOBYEL-KSSFIOAISA-N 382.461 -0.895 30 20 GBED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)C4=NNC(=O)C4)CC3)CC2)CC1 1835698054 CCGJVZBNURUGOY-UHFFFAOYSA-N 386.456 -0.262 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1840041180 WSXDKQCWLBVIQH-SFHVURJKSA-N 390.348 -0.993 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840275978 SPNSEPYTFSIJKE-JFIBYHEFSA-N 394.424 -0.918 30 20 GBED C#CCCCCC(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843235883 GQINWQYFRIZXSZ-UHFFFAOYSA-N 383.412 -0.177 30 20 GBED CC/N=C(/NCCN1CCOC[C@H]1C)N1CCN(c2cnn(C)c2)C(=O)C1 261715433 KJHVIWPKTOWSBJ-OAHLLOKOSA-N 377.493 -0.245 30 20 GBED C/N=C(/NCCNS(C)(=O)=O)N1CCN(Cc2ccc(C#N)cc2)CC1 262528020 HIVXRGBYURCGRN-UHFFFAOYSA-N 378.502 -0.200 30 20 GBED COc1cc(C/N=C(\N)NCCCN2CCOCC2)ccc1OCC(N)=O 264112591 RKRLQPPGGAQZGV-UHFFFAOYSA-N 379.461 -0.314 30 20 GBED N#Cc1cccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 265619104 QJGXLIUKRHAWAA-GJZGRUSLSA-N 385.467 -0.666 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 267759366 IYAYRPQWLUIBIT-UHFFFAOYSA-N 393.469 -0.442 30 20 GBED C#CCOc1ccccc1NC(=O)C(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 275718911 VREYNQVBKHYRCT-ZDUSSCGKSA-N 380.422 -0.355 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(/C(O)=N/[C@H]3CCCOC3)CC2)CC1 329203436 YLHBQSYBMQOIAN-AWEZNQCLSA-N 375.495 -0.811 30 20 GBED CCS(=O)(=O)N1CCN(/C(O)=N/[C@H]2CCc3nc(COC)nn3C2)CC1 329858047 ZUGDZRLOJQRRPP-LBPRGKRZSA-N 386.478 -0.379 30 20 GBED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(CC#N)CC2)[C@H](C)O)cc1 330748858 HERRGCYKHOGIGW-HOCLYGCPSA-N 380.470 -0.310 30 20 GBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@H]1C(=O)OCC 330832975 KKMWMSNSZJRGOZ-OLZOCXBDSA-N 380.488 -0.066 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@@H](O)CC[C@H]2C1 349487938 DKGDYHVAVNLFBB-MJBXVCDLSA-N 393.531 -0.027 30 20 GBED C=C(C)CS(=O)(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 408401409 BXCSPCRXIJOFGL-ZIAGYGMSSA-N 381.520 -0.136 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 409474394 KGRVHTFIDZABRN-HIFRSBDPSA-N 395.485 -0.485 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H]3CNCCO3)C2)c(F)c1 418856371 OYLULSHBALFYDR-GJZGRUSLSA-N 389.431 -0.113 30 20 GBED CC(=O)N[C@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 422108253 UFLAKLZLUOCUDX-SFHVURJKSA-N 383.452 -0.061 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCCC[C@@H]3[C@@H](C)N)CC2)c1C#N 423697706 NJDYESJSFCVVQP-CZUORRHYSA-N 387.488 -0.023 30 20 GBED C[C@@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1)c1ccc(C#N)cc1 424514977 HMADJWKRZQXZMP-ZWNOBZJWSA-N 379.394 -0.554 30 20 GBED CC(=O)N[C@@](C)(C(=O)N1CC(O)(CC#N)C1)c1ccc(S(C)(=O)=O)cc1 435814218 RRNMOUJUYDFZNV-MRXNPFEDSA-N 379.438 -0.072 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)n1 444511380 KOYJHNFRYDXETP-UHFFFAOYSA-N 386.387 0.349 30 20 GBED CO[C@@H]1CN(c2cc(N3C[C@@H](O)[C@H](OC)C3)c([N+](=O)[O-])cc2C#N)C[C@H]1O 450816548 BGAJBGLWJZJFAA-QBPKDAKJSA-N 378.385 -0.142 30 20 GBED CN(CC(=O)N1CCC[C@](O)(C(N)=O)C1)S(=O)(=O)c1ccc(C#N)cc1 501933839 CEIZYUVBWWHWBO-MRXNPFEDSA-N 380.426 -0.982 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCNC3=O)CC2)cc1 514497988 BAHIWFCRCIJGRD-UHFFFAOYSA-N 391.453 -0.194 30 20 GBED CC[C@]1(C)NC(=O)N(CC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1=O 517210238 XXHILUMTSCXIBJ-SFHVURJKSA-N 387.444 -0.031 30 20 GBED CCN(CC)CCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 549927313 VUSGKOPJFOAKCU-UHFFFAOYSA-N 375.477 -0.293 30 20 GBED N#CCNC(=O)CNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 553424867 YEBLDXQCJCEAJT-UHFFFAOYSA-N 396.425 -0.728 30 20 GBED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C(C)C 563732683 OCIHDLBPMARLPX-YESZJQIVSA-N 391.516 -0.428 30 20 GBED N#Cc1cccc(NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)n1 569572811 GJBQPJINSWTKAH-UHFFFAOYSA-N 380.412 -0.380 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC(=O)N(C)C2)cc1 570738571 ADEBYEABUFLACN-NSHDSACASA-N 386.455 -0.361 30 20 GBED C=CCOC[C@@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)C(=O)OC 577392368 BLDHNDKBJQOIPB-OAHLLOKOSA-N 398.437 -0.145 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)c1 604021020 IVCRPIATUUGMMW-AWEZNQCLSA-N 395.437 -0.345 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCCNS(=O)(=O)c2ccccc2)C1=O 726043806 ZOKJKMMHXKOPRC-UHFFFAOYSA-N 395.393 -0.515 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCCN1C(=O)CCC1=O 729971646 ZQOJCQWVAHHMTL-UHFFFAOYSA-N 392.437 -0.230 30 20 GBED COCCNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)c1 764031187 VYPDVFULXDEJHY-MRXNPFEDSA-N 398.441 -0.095 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCN([C@H]2CCOC2)CC1)c1cc[nH]n1 772359859 WRUKZLZKZLRVFK-ZDUSSCGKSA-N 379.417 -0.373 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C)[C@@H]1CCCO1 786084187 NTQUCXKHWDCDKR-CABCVRRESA-N 393.465 -0.150 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NCCC)cc1 811831479 LMGKJBUGSSCPTM-UHFFFAOYSA-N 381.410 -0.009 30 20 GBED C#CCNc1nc(NC[C@H]2CCCNC2=O)nc(NC[C@H]2CCCNC2=O)n1 840352950 YOMIXTBDGGXFMT-CHWSQXEVSA-N 386.460 -0.207 30 20 GBED C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H]2OCCN[C@@H]2C1 843479589 SRXBBUTYOWPHEM-YUTCNCBUSA-N 378.454 -0.297 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccnn2C)C(C)C)CC1 894365025 XDUICGHJPUMLME-HNNXBMFYSA-N 396.517 -0.046 30 20 GBED C=CCOc1cccnc1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1OC 946863180 VJWUWECKBLBARW-QVHKTLOISA-N 388.424 -0.277 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 1004522015 UEKAHRLDAPDPLM-WCVJEAGWSA-N 379.457 -0.035 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cn(C)nc2C)C[C@H]1O 1023942425 WLXKWKVPWDECNM-LHHMISFZSA-N 376.457 -0.060 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn3nccc3nc2C)C1 1025420485 FNADSXMPMHBEQX-MIGQKNRLSA-N 385.424 -0.070 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCNC(=O)NC(C)(C)C 1109171673 ZXGYJFFMUCYNEG-ILXRZTDVSA-N 377.489 -0.055 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1111462241 MVYIECAPSZXGBZ-MCIONIFRSA-N 376.461 -0.389 30 20 GBED C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CCN(C)CC2)C[C@H]1NCC(=O)NCC#N 1214654207 VPNDCAWCMCVIJZ-MYZZLAAOSA-N 391.516 -0.190 30 20 GBED Cn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)CC3(C#N)CC3)CC2)cn1 1320268631 NRYQUGVVVQIUAY-UHFFFAOYSA-N 387.487 -0.204 30 20 GBED CN1CCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2ccccc21 1322408642 UYHKIMGHGJNWMS-UHFFFAOYSA-N 377.426 -0.394 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NCc1ccc(Cl)nc1 1322679381 OCDIMTICFVNOSR-YPKPFQOOSA-N 377.788 -0.006 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCN(C(C)(C)COC)CC2)CC1 1326679899 MPJNLLIMSRXBGO-UHFFFAOYSA-N 392.500 -0.456 30 20 GBED C#CCNC(=O)CC(=O)N1CCC[C@@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573285110 DAPHFPQOIROLNM-GFCCVEGCSA-N 384.400 -0.945 30 20 GBED C=C[C@](C)(O)CC(=O)N1CCCO[C@@H](CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1573309965 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394.520 -0.742 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1784504021 JEMNCSZXTMHKMV-HOSILWTGSA-N 390.440 -0.046 30 20 GBED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1)[C@H]1SC(=N)NC1=O 1786366315 QZHAURIUHIXXAR-CUOUOBHDSA-N 393.469 -0.318 30 20 GBED CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21)C(=O)O 1786896802 XTTDGZOAEBURIF-XUXIUFHCSA-N 378.429 -0.667 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1793819929 GKMDOBVCGHJCFF-ZWUHOBOKSA-N 384.502 -0.912 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1794209105 DUECVZNZSVWSDP-ZUWCUPBKSA-N 392.456 -0.204 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC(N)=O 1796318246 VLPAVEVLOXRPRC-RMEBNNNOSA-N 380.445 -0.939 30 20 GBED Cc1nn[nH]c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797740899 BDNMOKPHUILZAG-FYXFMKKJSA-N 389.460 -0.212 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cc(CO)on2)[C@@H]1c1cccnc1 1811592407 LPTRPLVJHTWOMS-UGSOOPFHSA-N 398.375 -0.031 30 20 GBED Cc1ncoc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834369633 OEQDOBOOMPQICS-KRWDZBQOSA-N 377.353 -0.859 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1835364514 WRMNTJQVALHJAO-INIZCTEOSA-N 385.442 -0.436 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)CCC1 1836213504 KJHNHCIOGJMWGZ-GOSISDBHSA-N 388.428 -0.572 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncon3)CCO2)C1 1838314277 SZPSTAYWJUDTRB-SUMWQHHRSA-N 378.385 -0.822 30 20 GBED CC(C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733197 SGGCDNFNTIFLDH-LPHOPBHVSA-N 390.440 -0.027 30 20 GBED CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839858089 INQCJCMDEZGYNG-OAQYLSRUSA-N 399.447 -0.369 30 20 GBED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840043218 KRWWFXHDXVBVLP-FQEVSTJZSA-N 397.387 -0.284 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)CCS(C)(=O)=O)C2 1842921258 BJOKQKLJYYMYKW-UHFFFAOYSA-N 384.502 -0.094 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C)CC2)C1 1843915207 STDINTAGUBPSCQ-UHFFFAOYSA-N 392.500 -0.053 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2 1844236175 WIIMTPNNNPCDCF-LBPRGKRZSA-N 389.389 -0.512 30 20 GBED CN(C)CCNC(=O)c1cccc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)c1 66816498 DSTQXEAUNWOTKG-UHFFFAOYSA-N 384.440 -0.141 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 68328064 FPXYWPBDQBSKQE-XHSDSOJGSA-N 396.513 -0.286 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 105265667 LOVLMSLCNUARMP-GASCZTMLSA-N 376.457 -0.392 30 20 GBED C/N=C(/NCCN1CCN(C(C)=O)CC1)N1CCN(C[C@H]2CCOC2)CC1 261688126 IFONOQNJWVNNIJ-GOSISDBHSA-N 380.537 -0.620 30 20 GBED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 297927327 QPLBLJQXZHNZCY-MRXNPFEDSA-N 387.440 -0.839 30 20 GBED CCOC(=O)C1=C(Cn2c(=O)c(C#N)cn(C)c2=O)NC(=O)N[C@@H]1c1ccco1 298302645 KWCHHXSCHQZESG-CQSZACIVSA-N 399.363 -0.117 30 20 GBED CC/N=C(/O)N1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 329423668 FVRHHXYPTLSXQR-MRXNPFEDSA-N 395.504 -0.222 30 20 GBED N#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H](O)CC1 349518016 GQGXODCHMFFYPS-AWEZNQCLSA-N 379.504 -0.129 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)C1=O 363023375 KALQLZJWMNMEOK-ZDUSSCGKSA-N 387.348 -0.070 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1 364667940 BIXCVKCHFQVFHT-AWEZNQCLSA-N 394.453 -0.180 30 20 GBED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3C[C@H](O)[C@H](O)C3)ccc21 434570668 BOWJPYRECRHVMW-IYBDPMFKSA-N 386.408 -0.228 30 20 GBED C[C@H](C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1)n1cnc(C#N)n1 466985356 VIOUJLMYBPOFJJ-CQSZACIVSA-N 395.489 -0.024 30 20 GBED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N1CCO[C@H](C#N)C1 497700562 AZMRYTVVDJJFPO-CQSZACIVSA-N 382.442 -0.267 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(N)=O 524282196 VNXMBCVVVIFHEO-UHFFFAOYSA-N 386.408 -0.661 30 20 GBED CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1cc(C)nn1CCC#N 533453559 FPYGGGMJYOLRGP-GFCCVEGCSA-N 382.446 -0.416 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCNC(=O)N(C)C 537214049 IIMOIKASOVCLLS-GFCCVEGCSA-N 381.458 -0.045 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(Cc3nc[nH]n3)CC2)cc1 593858528 IOGBSGCQAZJPDE-UHFFFAOYSA-N 388.453 -0.064 30 20 GBED C[C@@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncc(C#N)s1 594636031 RUJNUGCCNPREPP-SECBINFHSA-N 382.489 -0.211 30 20 GBED C=C[C@H](CO)NCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 662167616 BPFNJOLIGBLQNS-OAHLLOKOSA-N 383.470 -0.540 30 20 GBED C[S@](=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 735101713 GFTMQJAYKGVUEG-DEOSSOPVSA-N 384.483 -0.047 30 20 GBED N#Cc1ccc(OCCOC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)cc1 748466054 JYLOBZQAXRUIIT-UHFFFAOYSA-N 392.393 -0.114 30 20 GBED N#Cc1c2c(cn(CN3CCN(C(=O)C(=O)N4CCOCC4)CC3)c1=O)CCC2 766611811 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C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(N3CCOC3=O)CC2)c1=O 853608002 BGIJIVISJZQDAP-UHFFFAOYSA-N 391.428 -0.582 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c(OC)co2)C1 1024646767 OXIPGNJHZBLREI-GBOPCIDUSA-N 392.408 -0.069 30 20 GBED C=CCCOCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1065278619 MBXDNASNURKTLB-UIBIWLFHSA-N 382.457 -0.026 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1nc2ncccn2n1 1110101266 HEOLGWJQBPTUHW-KBXIAJHMSA-N 381.440 -0.474 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1 1116984043 XYDHEAYWUHTOQS-OKILXGFUSA-N 389.518 -0.293 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C)Cc3cn(C)nn3)CC2)c1C#N 1118453601 SRLZDERXIFVQHH-UHFFFAOYSA-N 385.432 -0.964 30 20 GBED N#CCCN1CCN(C(=O)C(=O)NCC(=O)N2CCc3ccccc3C2)CC1 1119181417 PWGNFBHUGJXRMQ-UHFFFAOYSA-N 383.452 -0.255 30 20 GBED CCn1cnnc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1295968029 YIQPCFGJRXDBRQ-CYBMUJFWSA-N 385.432 -0.211 30 20 GBED NC(=O)N1CC[C@H](CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1330430422 HQGPVOCCUSNEEP-LLVKDONJSA-N 379.442 -0.368 30 20 GBED CCS(=O)(=O)N1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1332719503 ZGSLTWNOFVJQMS-YPKPFQOOSA-N 385.446 -0.810 30 20 GBED C=CCn1c([C@@H]2CCCCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1355928028 BETLNYCOWRRBSA-STQMWFEESA-N 387.444 -0.658 30 20 GBED N#Cc1ncc(N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)nc1-c1nn[nH]n1 1581882428 YGXNCFDMGSVKQY-NSHDSACASA-N 389.445 -0.772 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)O)c1 1588486292 RCKJNPGSIMCVBO-CQSZACIVSA-N 393.421 -0.597 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)O)C2)C1 1592222322 UVIJQYMFODTIAJ-ATWGWHJKSA-N 393.487 -0.135 30 20 GBED C=CCn1cc(C(=O)N2C[C@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)C[C@@H]2C)nn1 1602882336 IKUVBBJEJIRRSQ-WDEREUQCSA-N 381.404 -0.429 30 20 GBED Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)no1 1779125148 PEVLNVULCQHELL-SJKOYZFVSA-N 396.469 -0.139 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]2C1 1786645318 YCGNKOKFNGLTPK-AJNGGQMLSA-N 388.486 -0.398 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)CC 1793314392 XJYCEDHNLXFJJA-AYDFFVQHSA-N 388.486 -0.398 30 20 GBED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2 1797743866 BURZFZHAZRTOFO-BNJZYBFZSA-N 391.472 -0.816 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@H](N)C(N)=O)C2 1798393371 BZNUWUZOPUIYHQ-AIEDFZFUSA-N 380.489 -0.210 30 20 GBED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CNC(=O)C2)C3)c1 1798862674 KOBUGXKQGADQDM-CUSZFKRNSA-N 382.420 -0.102 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1Cc3ccccc3CN1)C2 1800776128 SSTQVYAWKOKLKD-CLWJZODNSA-N 397.431 -0.622 30 20 GBED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1800990918 DMJUBPMIBXSLNG-PNBKFKSVSA-N 399.513 -0.293 30 20 GBED COC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1801205186 YTTNTTOLHLIHTM-JJLQDPRZSA-N 375.385 -0.554 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)Cn2nccn2)[C@H]1c1cccnc1 1812880095 MXJITRKNINKMFN-KDOFPFPSSA-N 382.380 -0.533 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncnn4C)C3)C2)C1 1829665170 UNNCNWTUHWKIGX-GOSISDBHSA-N 375.429 -0.149 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCOC)CCO2)C1 1830473359 AAFXGGMVTCXKJA-APWZRJJASA-N 382.457 -0.092 30 20 GBED CC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1830521710 UDKFVAPJPVPTJI-OTLWHIMFSA-N 396.488 -0.315 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4CNC(=O)O4)CCO3)C2)CCC1 1831578883 ONDRGDFZSCDRJC-UGSOOPFHSA-N 392.412 -0.755 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835656640 PGGMCZKAIYVIPT-ABAIWWIYSA-N 390.531 -0.222 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1835707882 SVPTZGLNNKNQHX-YEWWUXTCSA-N 394.497 -0.144 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840568924 WGHPFIISYWZRDS-CRAIPNDOSA-N 385.530 -0.041 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840592352 GOTTWIRJZBHPLJ-UZLBHIALSA-N 394.468 -0.214 30 20 GBED COC(=O)c1cccc(OC/C(N)=N/OCc2cc(=O)n(C)c(=O)n2C)c1 267031764 VKFVPPQHMMELAQ-UHFFFAOYSA-N 376.369 -0.262 30 20 GBED CN(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nn1 277685261 CKLUKYQBHKIZLO-OAHLLOKOSA-N 395.423 -0.231 30 20 GBED C=Cn1cc(/C=c2/s/c(=C(/C#N)C(=O)NCCOC)n(CCC)c2=O)cn1 277889717 DHCLBLOMUNGZPD-IATADAHLSA-N 387.465 -0.118 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)CC1 284464205 GHGWUHYGUXRZIC-UHFFFAOYSA-N 379.505 -0.577 30 20 GBED Cn1[nH]cc2/c(=N\C(=O)C(=O)N(CCC#N)CCN3CCOCC3)ccnc1-2 289032377 AWJQWQUUKPQXKK-JCMHNJIXSA-N 385.428 -0.645 30 20 GBED CC(=O)N1CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N)CC1 349542842 YBFJUWVYNXVGMF-ZDUSSCGKSA-N 394.519 -0.566 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCNC(=O)C[C@H]1C 349602231 PYJNMLMESKGPSD-OLZOCXBDSA-N 394.519 -0.520 30 20 GBED CN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1=O 372677492 PVFNSWYPLCSBKU-CQSZACIVSA-N 384.371 0.511 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@H]5O)CC2)nc1 410742358 AUDBAUFYTQMTCW-DTJSUFBGSA-N 381.436 -0.170 30 20 GBED COCCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 459532990 JFYMWEDAKBFXLP-UHFFFAOYSA-N 380.470 -0.009 30 20 GBED CN(CC(=O)NCc1ccc(C#N)cc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 533494448 KLWPSIJFHPOKCT-HNNXBMFYSA-N 378.454 -0.590 30 20 GBED N#Cc1cccc(F)c1CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 551967112 FKOLEJNZJNAFTR-JKSUJKDBSA-N 381.429 -0.146 30 20 GBED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C)c1=O 576533813 XHBIMVCOEDCPLP-UHFFFAOYSA-N 389.481 -0.293 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nnnn2CC2CC2)cc1 584204203 YBJKEOSTKYNQCX-UHFFFAOYSA-N 375.414 -0.451 30 20 GBED CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 594627441 ZFAOVRWZCHLOIK-STQMWFEESA-N 385.467 -0.070 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OC)c(-n3cnnn3)c2)C1=O 607584328 HOHAVUMIZNMUGO-UHFFFAOYSA-N 385.340 -0.414 30 20 GBED CC#CCNCc1cn(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)nn1 640855124 OOWUGYJTSYUFFN-UHFFFAOYSA-N 389.504 -0.550 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)C1=O 726042138 DUDQRPXYRZKHMY-UHFFFAOYSA-N 399.381 -0.450 30 20 GBED CC[C@H](CO)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 727058327 PTFUXJAOBFRVGF-OAHLLOKOSA-N 380.470 -0.248 30 20 GBED CN(CCC#N)S(=O)(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 736790489 IBRQCVFLVMJZRN-UHFFFAOYSA-N 391.461 -0.090 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 761036452 GOBUTYYRRTWNFA-UHFFFAOYSA-N 381.414 -0.382 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C)[C@H]1CCCO1 786084190 NTQUCXKHWDCDKR-HUUCEWRRSA-N 393.465 -0.150 30 20 GBED C=CCn1c(C)nn(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1=S 798190812 NDMUMNXGVJDDHM-UHFFFAOYSA-N 394.501 -0.131 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 805276228 URGQBARFHURHGN-ZDUSSCGKSA-N 381.520 -0.100 30 20 GBED COC[C@]1(C(=O)O)CCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 818307039 OEOHOMZRBZQUPI-INIZCTEOSA-N 381.410 -0.183 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC(N)=O)cc1 848499924 SSBBMYYACYMQIS-UHFFFAOYSA-N 398.466 -0.670 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cn(CC3CC3)c(CC)n2)CC1 851760191 GTNKSUNWVYWOOE-UHFFFAOYSA-N 393.513 -0.089 30 20 GBED Cn1c(=O)ccn(CC(=O)[C@@H](C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1=O 916964118 ADKRQTLQNCXKBE-GFCCVEGCSA-N 384.348 -0.334 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2nnnc2C(C)C)C1 964082663 WQCLUHHWRQCMFX-KBXIAJHMSA-N 392.460 -0.534 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2nnc3ccccc3n2)C1 968959021 ILQQENBZEWWXMV-FWYOQMDTSA-N 383.408 -0.083 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@H]1O 1023942216 QHYXIGGFMNAUKH-SHFYGJNESA-N 390.440 -0.304 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)C[C@H]1O 1023960839 WHZYUSVLHMSFND-MIGQKNRLSA-N 388.424 -0.537 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CS(=O)(=O)C1CCCC1 1109454272 RWOQUHXQGNHGOQ-KBMXLJTQSA-N 381.498 -0.185 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)CC1 1117271382 USJINBZPHGNJML-LSDHHAIUSA-N 378.473 -0.800 30 20 GBED C[C@@H]1CCO[C@@H]1C(=O)N1CC2(CCN(CC(=O)NCC#N)CC2)[C@H]2COC[C@H]21 1205511676 AWUOFXLLOWCUCJ-HPFXQQBRSA-N 390.484 -0.009 30 20 GBED N#Cc1ccnc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 1307572124 VYBYUSCANYWVPN-OAHLLOKOSA-N 384.483 -0.412 30 20 GBED C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 1323485544 WHGOGAVYSRMQRQ-ZDUSSCGKSA-N 378.454 -0.244 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC1CCN([C@@H]2CCC[C@H]2O)CC1 1329484977 WMWJBMRMEJFGIG-HUUCEWRRSA-N 387.502 -0.803 30 20 GBED C=CCn1c(C2CCN(CCO)CC2)nnc1N1CCN2C(=O)NC[C@H]2C1 1338907431 XWKAUBMUMDOILB-HNNXBMFYSA-N 375.477 -0.150 30 20 GBED COCCN(CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1cnc(C#N)cn1 1579802551 IUIKMMLFCSFHBD-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED C#CCNC(=O)C1CCN(S(=O)(=O)c2cccnc2-c2nn[nH]n2)CC1 1588353037 DOQSQBXARGWPPO-UHFFFAOYSA-N 375.414 -0.588 30 20 GBED C#CCNC(=O)[C@H](C)NCC1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1588353164 JAQZOKCBAAIKHT-LBPRGKRZSA-N 384.444 -0.226 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2ncc(Cl)c(C)c2-c2nn[nH]n2)CC1 1588353844 JFQQYAQHAGKESB-UHFFFAOYSA-N 396.864 -0.187 30 20 GBED CN(CCOCCN=c1cc[nH]c(C#N)n1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1591113435 YFYKPGHZKQMGQA-UHFFFAOYSA-N 382.388 -0.521 30 20 GBED CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)O)CC1 1597224409 VVSXBBCTPHNLHB-UHFFFAOYSA-N 387.439 -0.088 30 20 GBED C#CC1(O)CCN(C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)O)C3)C2)CC1 1602676735 GPHDRENDVMAPIJ-UIORMTCPSA-N 384.454 -0.033 30 20 GBED C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccsc1-c1nn[nH]n1 1602720302 TXBLERYRGUSMGV-VIFPVBQESA-N 387.468 -0.261 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@H]2O)nc1 1602739384 HHKMYBSVIPCGJH-ZIAGYGMSSA-N 377.368 -0.988 30 20 GBED CNS(=O)(=O)CCCNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1604893556 LHJJHGSOUKCBER-CYBMUJFWSA-N 377.430 -0.396 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)cc1 1608188236 QUFJICVAJSRHEC-ITGUQSILSA-N 385.423 -0.560 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1 1609021423 XNXBOMYKYPOSHV-AAEUAGOBSA-N 382.380 -0.099 30 20 GBED CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](CCC#N)C(=O)O 1777036220 GNVFYLAYWRCDHR-SNVBAGLBSA-N 375.428 -0.028 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1778790068 MCOZCAZCNFEJOM-CRAIPNDOSA-N 381.429 -0.316 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1778969906 USTQYAQVCDVBGC-LIRRHRJNSA-N 393.488 -0.771 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1779316704 FUNBCLYWBOZARR-QFBILLFUSA-N 379.457 -0.229 30 20 GBED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)N1CCN(C)CC1 1781089743 HKOHRIVSTQKNMD-UTKZUKDTSA-N 388.512 -0.134 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784740402 HAEOKEZIBCBFAK-YOEHRIQHSA-N 388.486 -0.158 30 20 GBED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 1796955214 UUINAVUORBIOIP-CLLJXQQHSA-N 383.412 -0.123 30 20 GBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)C2 1802022133 WQRXULHPUTWTNW-QIRZIZBZSA-N 392.481 -0.208 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1803567531 QERKMNWSJKWYSE-BSWAZPDLSA-N 375.473 -0.036 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)[C@H]1c1cccnc1 1807610339 RHTGMCQSQHQDPI-UWWQBHOKSA-N 397.439 -0.188 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@@H]1c1cccnc1 1811459081 XPYFDHZECSPTOF-UGSOOPFHSA-N 395.375 -0.428 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)Cn2ccnn2)[C@H]1c1cccnc1 1812879893 VSGFNMKTAGDBJN-KSSFIOAISA-N 382.380 -0.533 30 20 GBED CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1831332806 PPBVDWWHZLYMGT-SFHVURJKSA-N 398.481 -0.709 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN(C)C)C2)C1 1831392097 ZWPGOOCNSVIYQA-LPHOPBHVSA-N 381.473 -0.567 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1831394239 ZPAVEUSJBXZCFU-RDTXWAMCSA-N 391.428 -0.779 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833278880 LBKVVMSYIDDNRE-CXAGYDPISA-N 381.454 -0.292 30 20 GBED N#CCC(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1834398065 MXYOKVFKYFWORF-UHFFFAOYSA-N 390.444 -0.977 30 20 GBED C[C@@H](CN)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674069 DSKORNVSMUELTD-KXBFYZLASA-N 395.504 -0.681 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837164945 QDNQYEVKOXTXIG-SFHVURJKSA-N 384.396 -0.287 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839085192 ZZDSBWYJMFPYRH-YRNRMSPPSA-N 389.452 -0.523 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)OC)CCO2 1840209852 AZADHZGMBPVQQG-DNVCBOLYSA-N 398.456 -0.013 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1840842454 HDIBXOANILXDFE-KXBFYZLASA-N 394.472 -0.436 30 20 GBED CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1)C(=O)O 1844300328 ZHZZSCPVOTVQQV-XQSXULBNSA-N 396.444 -0.219 30 20 GBED O=C1CN(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=N/N2CCCCC2)C(=O)N1 1848067868 RTSZCNRUWAFJTE-YVTGBJBKSA-N 390.444 -0.788 30 20 GBED CO/N=C/c1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 264210157 SRKYPUIXQJQTCC-ZJURKNROSA-N 381.454 -0.106 30 20 GBED N#Cc1cccc(NC(=O)CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 265378878 QPRSPTNVICGXCZ-CVEARBPZSA-N 378.454 -0.416 30 20 GBED N#Cc1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)CN2CCOCC2)CC1 268126382 AQZLWBLQKWJKEJ-UHFFFAOYSA-N 396.444 -0.138 30 20 GBED COCCS(=O)(=O)CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 277838287 MSKHTHUDFVVZEG-OAHLLOKOSA-N 379.438 -0.163 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCCN1C(=O)CSC1=O)c1cc[nH]n1 277906321 DECYPCHGOLZOHY-LDADJPATSA-N 383.386 -0.495 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCc2cc(C(N)=O)no2)CC1 287034784 FGIQNDLUKLZHBI-UHFFFAOYSA-N 382.380 -0.390 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 292319832 MHIMBJGEPMZMCU-WMZOPIPTSA-N 392.500 -0.150 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3c(C)noc3C)CC2)C1=O 299553500 RBOZJEPBKHWSBT-UHFFFAOYSA-N 389.412 -0.088 30 20 GBED C=CCN1CC[C@H](N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)C1=O 328852611 XBAMBITXUOJEHX-XHSDSOJGSA-N 386.518 -0.255 30 20 GBED C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1cn(C)nn1 348377028 HGZIMHLKXTZKRK-MNOVXSKESA-N 379.464 -0.790 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](NC(N)=O)C1 349458233 GGJXKVMPQZHLIF-NSHDSACASA-N 395.507 -0.987 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[S@](=O)CC[C@H]1C 349461530 QVPWVOFIXNMGHK-MCMMXHMISA-N 399.560 -0.276 30 20 GBED C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 349484354 YIYWCKWQCJWFFD-KPWVOAKYSA-N 393.512 -0.124 30 20 GBED CNC(=O)[C@@]1(C)CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N)C1 349489715 FZOKGLXPQLNUDZ-JSGCOSHPSA-N 394.519 -0.662 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@H](F)C2)nc1 349510386 QPHLTZQOMCQUGE-LBPRGKRZSA-N 376.435 0.459 30 20 GBED CC(C)N1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)CC1 349531483 JKQNDDOQWMYCCI-CQSZACIVSA-N 380.536 -0.094 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC23CCOCC3)CC1 349560548 YRDUEUTVDOEHKW-GFCCVEGCSA-N 377.488 -0.159 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CC(=O)N(C)C[C@H]1C 349608075 GHKNEASYKKJQKC-CHWSQXEVSA-N 394.519 -0.567 30 20 GBED CC1(C)CNC(=O)CN1S(=O)(=O)CCCCS(=O)(=O)NC1(C#N)CC1 349624530 UJKUDCYDRHBCAL-UHFFFAOYSA-N 392.503 -0.718 30 20 GBED CN(C)C(=O)Cn1cnc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 432946780 AYSPTUQCMLEQGN-CYBMUJFWSA-N 384.400 0.318 30 20 GBED C[C@@H]1[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)CCN1C 581618258 WBHLFUANMRBNEY-CHWSQXEVSA-N 380.536 -0.048 30 20 GBED CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CC(O)(CC#N)C2)c1 583154521 CIVFDSRJNJGTPW-UHFFFAOYSA-N 384.439 -0.520 30 20 GBED C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 584253692 KDFQREYHGOXZFZ-VXGBXAGGSA-N 378.433 -0.435 30 20 GBED COc1cc(NC(=O)C(=O)N2CCC[C@H](S(N)(=O)=O)C2)c(F)cc1C#N 599975207 QIDXHVBUTIQMPS-JTQLQIEISA-N 384.389 -0.076 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)NC)c2)C1=O 624856387 XOVWSPOIPDEBRR-UHFFFAOYSA-N 380.382 -0.490 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CC1 667798764 UVRMBPALDVXRRQ-AWEZNQCLSA-N 381.458 -0.452 30 20 GBED CCN(C[C@H](C)C#N)C(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745479206 RXZSULWHKCIBOG-BQJFBPGXSA-N 377.397 -0.300 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1 761031725 BCDFVAFJDLRSPN-UHFFFAOYSA-N 381.483 -0.350 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccon1 765144904 LTPUZGSGHNPWBG-UHFFFAOYSA-N 396.432 -0.515 30 20 GBED O=C(O)Cn1cc(C=NNc2ccc(S(=O)(=O)N3CCCC3)cn2)nn1 768483636 QBINIRBQHQBDOU-UHFFFAOYSA-N 379.402 -0.012 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)CC1 769022060 UYZCXXZXBGKJJI-FQEVSTJZSA-N 397.435 -0.752 30 20 GBED CCOC(=O)CON=C(C(=O)NCc1cc(=O)c(O)cn1C)c1cc[nH]n1 772345872 PMYDTVBVCBPJDB-UHFFFAOYSA-N 377.357 -0.586 30 20 GBED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)OCC(=O)NC1(C#N)CCCCC1 803862646 PLDKQPMQKYKUPI-UHFFFAOYSA-N 396.425 -0.259 30 20 GBED C#C[C@H](NC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCCO1 804005315 XUCHHCNZAVVLLM-ROUUACIJSA-N 398.463 -0.252 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)c1cccc(C(=O)O[C@@H](C)C(=O)NCC#C)c1N 815253856 JPTDNFXGNGLTRA-STQMWFEESA-N 399.403 -0.142 30 20 GBED CN1C(=O)C[C@@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 848048059 XPEDSCFYMPRJMU-LLVKDONJSA-N 378.410 -0.621 30 20 GBED C[C@@H](NC(=O)Cn1cc(C#N)c(I)n1)C(=O)N(C)C 849923382 VHMTXQQJHLREBH-SSDOTTSWSA-N 375.170 -0.048 30 20 GBED COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)[C@@H](O)c1ccc(C#N)cc1 857726719 OWVSIOAFYZTNLY-YDHLFZDLSA-N 386.364 -0.714 30 20 GBED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2cccc3c2OCC3)c1=O 901685745 SIYGALXIVJZFHS-UHFFFAOYSA-N 380.429 -0.040 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)C[C@H]1C 1092981537 ALMHCAHTCQLXHS-SRABZTEZSA-N 390.484 -0.141 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCN1C(=O)CCC1=O 1109373761 UUOPCLPZXWQOLC-RDBSUJKOSA-N 375.429 -0.723 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H](C)C(=O)NC(=O)NC)nn1 1111112674 YQLITTHKZJZIND-BYNQJWBRSA-N 375.433 -0.357 30 20 GBED CCn1cnnc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1295968030 YIQPCFGJRXDBRQ-ZDUSSCGKSA-N 385.432 -0.211 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1317867539 VQHUGZGIUSNAJM-CYBMUJFWSA-N 393.488 -0.177 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCc2cn3c(n2)SCC3)C1=O 1324082463 PLNOHXRMTBFGQA-ZDUSSCGKSA-N 377.470 -0.107 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCC(CCN3CCOCC3)CC2)C1 1328424537 DNHMWWUDMLBOJH-IBGZPJMESA-N 378.473 -0.176 30 20 GBED CCOC(=O)c1ccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nc1 1341931223 RZIMVTAQKHLOOG-LBPRGKRZSA-N 379.394 -0.162 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCC1 1360716010 ZECMTSWISRMWTG-KGLIPLIRSA-N 397.505 -0.287 30 20 GBED C#CCOCCC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[nH]n2)C[C@H]1O 1573286612 GEHHQUBQKJBVTI-VXGBXAGGSA-N 391.457 -0.273 30 20 GBED C#CCNC(=O)CC(=O)N(C)[C@@H](C)CNC(=O)c1cncc(-c2cnn[nH]2)c1 1575004898 PEOLKHTZVDHCQX-LBPRGKRZSA-N 383.412 -0.417 30 20 GBED C#CCNC(=O)CN(C)C[C@@H]1CCCCN1C(=O)CCOCc1cnn[nH]1 1575005148 WBAPMHICJDEJGE-INIZCTEOSA-N 376.461 -0.226 30 20 GBED Cn1c(=O)[nH]c(N2CCN(c3ccsc3-c3nn[nH]n3)CC2)c(C#N)c1=O 1581747919 KFMARCMWBRYQFO-UHFFFAOYSA-N 385.413 -0.487 30 20 GBED C#CCNC(=O)[C@@H](C)N[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1(C)C 1588353174 JHUYXGNTESTVLO-RISCZKNCSA-N 384.444 -0.227 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@]1(C)CN(c2nccnc2-c2nn[nH]n2)CCO1 1588357306 KSVNENGJKOQAOT-SJKOYZFVSA-N 386.416 -0.594 30 20 GBED C#CCOCCC(=O)NC[C@H]1CN(c2ccc(-c3nn[nH]n3)c(C)n2)CCO1 1588361260 IORIOXCZVYWHRX-AWEZNQCLSA-N 385.428 -0.069 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)O)CC1 1602726604 SRWBKRPVSQGTRO-OLZOCXBDSA-N 393.487 -0.955 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(c3nc(C)ccc3-c3nn[nH]n3)C[C@H]2O)c1 1602745331 ASWKTPPDSHDVJU-HZPDHXFCSA-N 390.407 -0.074 30 20 GBED C=CCn1cc(C(=O)NC2CCN(c3cncc(-c4nn[nH]n4)n3)CC2)nn1 1602882319 HWZRFGSAKAPDMC-UHFFFAOYSA-N 381.404 -0.167 30 20 GBED COC(=O)C1CC2(C1)CN(S(=O)(=O)N1CCO[C@H](C#N)C1)C[C@@H]2C(=O)O 1604289792 KFCVSKIOUYDHQW-HFXYEQLZSA-N 387.414 -0.959 30 20 GBED C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCNS(C)(=O)=O 1741797293 SEHNVRFUNJOLIB-LBPRGKRZSA-N 383.478 -0.198 30 20 GBED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)[C@H]2C1 1784524926 UDNHQEJKDMYMEN-NDKCEZKHSA-N 392.543 -0.035 30 20 GBED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(=O)n4O)[C@H]3C2)CC1 1785630402 MXRHWFHLDLNRDD-YDHLFZDLSA-N 386.408 -0.017 30 20 GBED Cn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)n1 1794789895 FBLKHWGULPDCGG-MIFYACCESA-N 388.472 -0.095 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCO1 1795896416 OYROWFXIEFSBEJ-TYLCHYFOSA-N 377.441 -0.387 30 20 GBED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2 1797814974 FRGQYUBHQJEMQC-DWSRBNMOSA-N 393.400 -0.198 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C2 1799389806 RZJIBFMLIPDGQW-AQDIXCGQSA-N 382.461 -0.112 30 20 GBED CN(C)C(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801979114 FYTHJAGILFASBN-AGGWBTHJSA-N 377.445 -0.459 30 20 GBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2 1802025154 MICFLEIXCUOFSH-DRXBFXEBSA-N 395.506 -0.150 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1813040084 RGZFADFPQSKKBS-PCBIJLKTSA-N 393.513 -0.002 30 20 GBED CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)COC1 1830033324 KTJYFGVVPZQNCB-LJQANCHMSA-N 388.424 -0.007 30 20 GBED CSCC[C@@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835347946 KXIBTLZDLRCXQF-KDOFPFPSSA-N 397.497 -0.139 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)C1 1835735754 URWQVNWRSBWPTN-KXBFYZLASA-N 394.472 -0.998 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cncn4)CCO3)C2)c1 1836137436 LVYJKTOYZKJSBE-SFHVURJKSA-N 399.411 -0.752 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNC(C)=O)CCO2 1839885938 AKIYQOPOFDIFLS-IBGZPJMESA-N 379.457 -0.228 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1840172083 PXNNVAGUIMSWLM-SFHVURJKSA-N 390.396 -0.179 30 20 GBED Cn1nncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813214 MTEPGVNSIXQNOR-SFHVURJKSA-N 388.428 -0.421 30 20 GBED N#Cc1ccc(CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 46046931 GAOBLEWPENDWNN-UHFFFAOYSA-N 385.424 -0.229 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1 47615782 KIKXJSWWGKDXKL-UHFFFAOYSA-N 385.467 -0.685 30 20 GBED O=S1(=O)CC[C@H](CN/C(=N\C2CCCC2)NC[C@H]2CN3CCN2CC3)C1 262457516 WYEWJBUYFZJGHG-WBVHZDCISA-N 383.562 -0.101 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cnc3sc(C)cn3c2=O)CC1 271769970 IMPDRUCHKJTIOH-UHFFFAOYSA-N 387.465 -0.038 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N(CC)[C@@H](C)CS(C)(=O)=O)c1cc[nH]n1 276583178 LZZLHBZXPOGYEK-KEVMXDQOSA-N 388.446 -0.025 30 20 GBED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 279473913 SJHITJWKYJHOIV-LBPRGKRZSA-N 386.412 -0.778 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1C[C@H](C)S(=O)(=O)[C@@H](C)C1)c1cc[nH]n1 292602929 WTQUQSUMRMGKJU-LVOBAJNXSA-N 386.430 -0.273 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN2C(=O)OC[C@H]2C1 366301266 WTVCSKWQVPPBEQ-DGCLKSJQSA-N 378.410 -0.112 30 20 GBED COCC[C@@H](CO)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 374187615 LXLYDHNUAQVTEK-LBPRGKRZSA-N 375.360 0.335 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)o1 376348574 HAHMDWLECKSPFD-CYBMUJFWSA-N 389.455 -0.034 30 20 GBED CCN(CCC#N)S(=O)(=O)NCCCNS(=O)(=O)N(CC)CCC#N 409531634 CDCBYYQQPGCJAF-UHFFFAOYSA-N 394.523 -0.484 30 20 GBED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)N3[C@H]4CC[C@H]3CC(=O)NC4)C2)nc1 410754391 IBXMOCGYCZEGIT-KKUMJFAQSA-N 383.408 -0.188 30 20 GBED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2cnn(C)c2C#N)c1 475643447 XFGSLSNRVLFMLH-UHFFFAOYSA-N 376.398 -0.432 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CCC(=O)Nc1cccc(C#N)c1)C2 527214132 ADKDRIGDTBLXJY-UHFFFAOYSA-N 397.439 -0.151 30 20 GBED CN(C)S(=O)(=O)C[C@H](NC(=O)CNc1ccc(C#N)cn1)C(F)(F)F 561050847 LFTZYZWTAJVJCV-JTQLQIEISA-N 379.364 0.304 30 20 GBED CCc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)c1 566326303 NDBYHYBGRHCMQE-UHFFFAOYSA-N 396.472 -0.261 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CO)CC(F)F)cc1 568253438 OWXBCNZMLZVCLS-SECBINFHSA-N 383.398 -0.217 30 20 GBED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588870541 MEYRWXDTTHBLMA-CZUORRHYSA-N 397.435 -0.488 30 20 GBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 592914051 BOUGUDKIYBFNFD-BNOWGMLFSA-N 395.437 -0.393 30 20 GBED CC(C)(C)n1nnc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)n1 594532548 BWTSUAMFPFZHGX-UHFFFAOYSA-N 397.443 -0.340 30 20 GBED C#CCNC(=O)CN1CCN(C[C@H](O)COc2c(OC)cccc2OC)CC1 728571576 JDTOVOQPOKDENC-INIZCTEOSA-N 391.468 -0.190 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1ccc(OCCO)c(OC)c1)[C@@H]1CCCO1 809313872 WGYXXXKOLWNZEN-GJZGRUSLSA-N 376.409 -0.021 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1C 823932329 UZLZAPIJJSLPFT-UHFFFAOYSA-N 378.414 -0.169 30 20 GBED C#CCN1CCN(C(=O)CN(c2ccc(C(=O)O)cc2)S(C)(=O)=O)CC1 825619423 MJQFZQYQVVIELM-UHFFFAOYSA-N 379.438 -0.072 30 20 GBED N#Cc1cccnc1N1CCN(S(=O)(=O)c2cnn(CC(=O)O)c2)CC1 833076441 GGAIQRZYKJPHOO-UHFFFAOYSA-N 376.398 -0.255 30 20 GBED N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)CC2)cn1 834732890 ROYIFVXZYFGJAY-CYBMUJFWSA-N 378.458 -0.483 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(Cc2nc[nH]n2)CC1 846524830 FGUGRPDUEARSPB-UHFFFAOYSA-N 389.441 -0.812 30 20 GBED C#C[C@@H](C)NS(=O)(=O)CCCCS(=O)(=O)N1CCSC[C@H]1C#N 848967720 GBGSDJIOCICEOB-CHWSQXEVSA-N 379.529 -0.022 30 20 GBED COCCCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 853705512 NMVYOLORJZMQLS-LBPRGKRZSA-N 383.426 -0.079 30 20 GBED C#CCSCC(=O)N1CCN(C(=O)CSCC#C)[C@H](C(=O)N(C)C)C1 901033211 DGSLQBUGGBVXNL-AWEZNQCLSA-N 381.523 -0.153 30 20 GBED C#Cc1cccc(NC(=O)CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 918342373 HVVWOSPDLVCULG-UHFFFAOYSA-N 394.391 -0.830 30 20 GBED Cn1c(=O)c2cc(C(=O)NCCNc3ncccc3C#N)n(C)c2n(C)c1=O 919716505 XNPIWEKGKNHOTD-UHFFFAOYSA-N 381.396 -0.316 30 20 GBED N#Cc1cccc(CN2C[C@H](n3ccnn3)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1 1070027400 DGTMRCXMCMAURR-TWMKSMIVSA-N 379.424 -0.187 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(C)nn1 1110518625 TUXSTCDEOYBVSY-SFTQSGBHSA-N 375.433 -0.450 30 20 GBED Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N3CC[C@](F)(C#N)C3)CC2)no1 1261304725 BULRUYCOPLOFBW-KRWDZBQOSA-N 392.391 -0.470 30 20 GBED C#CCCN1CCC(NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1321175714 RVIDARJFTNNFJL-UHFFFAOYSA-N 378.454 -0.124 30 20 GBED CC(C)N1CCC[C@@H](CNC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1321976356 NFTJODPBIYXQSJ-HYEKCJMVSA-N 391.472 -0.134 30 20 GBED N#CC1(NC(=O)COC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCC1 1328700141 LIVLSIDKNXXFRM-RYUDHWBXSA-N 383.426 -0.872 30 20 GBED CC(C)N[C@@H]1CCCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1328818458 WDVBOHHEQLAGPE-UWZWCOGJSA-N 377.445 -0.382 30 20 GBED Cc1nccc(N2CCN(C(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)n1 1329813665 BUPBLZLVTBUXBE-MRXNPFEDSA-N 383.456 -0.368 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCC(N3CCCNC3=O)CC2)CCN1C1CC1 1332007606 WLSHQDDEIATFQI-INIZCTEOSA-N 388.472 -0.409 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(S(N)(=O)=O)CC2)cc1 1338681581 NPWKRSQVZSCRNC-UHFFFAOYSA-N 394.453 -0.180 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573285738 MOPHMMGWVDAJPK-ZFWWWQNUSA-N 382.428 -0.377 30 20 GBED C#CCN1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H]2CCc3nnnn3CC2)CC1 1574985754 JOCSVWPXMDZQRE-CQSZACIVSA-N 383.460 -0.130 30 20 GBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@]2(C)C1 1588353306 NEWGIEQADFWQHT-TVZGQMOCSA-N 396.455 -0.273 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[nH]n2)nc1 1588406341 TYCIWWNWEQHFCZ-HIFRSBDPSA-N 388.432 -0.378 30 20 GBED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O 1588495483 FZDOVOZNRBWCLN-IIYDPXPESA-N 388.432 -0.449 30 20 GBED C=CCn1cc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[nH]n3)c(C)n2)nn1 1588713462 LXDPQAZCDCHOCV-NSHDSACASA-N 384.404 -0.450 30 20 GBED C[C@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)O 1593611809 VEAWUCPABFFPME-JKOKRWQUSA-N 386.364 -0.069 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O 1602728095 WTYCMQQGEFAFIF-LYRGGWFBSA-N 388.403 -0.295 30 20 GBED C=CCN(CC=C)C(=O)C(=O)N1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 1602850897 YXDAOTQEFYKZQP-UHFFFAOYSA-N 399.459 -0.242 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCCN1c1cncc(-c2nn[nH]n2)n1 1602886350 PYTZTQSDKGNEEM-SCRDCRAPSA-N 386.416 -0.431 30 20 GBED C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)C(=O)NCCCCC#N 1603939716 ANGHIBQLXPVIGO-GFCCVEGCSA-N 398.431 -0.496 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)[C@H](C)n3cnc(-c4nn[nH]n4)n3)CC2)c1C#N 1609458605 IUEXVEXQBZQGTK-NSHDSACASA-N 396.419 -0.718 30 20 GBED O=C(O)[C@@H](O)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1610722362 MPWXKYVTVRAWIC-AWEZNQCLSA-N 381.410 -0.591 30 20 GBED C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCNS(C)(=O)=O 1741797292 SEHNVRFUNJOLIB-GFCCVEGCSA-N 383.478 -0.198 30 20 GBED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCS1(=O)=O 1747221728 VKMCWXWGSDIUCO-CYBMUJFWSA-N 384.462 -0.421 30 20 GBED CO[C@]1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1769770021 LFICNLMOLCAMJT-AHIWAGSCSA-N 376.417 -0.237 30 20 GBED CN1CCC[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782011224 QBXOAHYACIXVIP-QMTMVMCOSA-N 377.441 -0.318 30 20 GBED Cc1nc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cs1 1783557611 ORHJDPXXFBJXJE-QGZVFWFLSA-N 377.422 -0.088 30 20 GBED NC[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1783562152 FZYDWMGPHLGLBE-OXQOHEQNSA-N 385.420 -0.353 30 20 GBED COC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1784262643 ZEOCBWHJRYMYFV-CXAGYDPISA-N 384.433 -0.027 30 20 GBED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOCC4)[C@H]3C2)CC1 1786722704 IZSUMILNOGPWGS-JYJNAYRXSA-N 376.457 -0.398 30 20 GBED CN1CCCC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791073141 MCUBEFFJIPVZST-JONQDZQNSA-N 377.441 -0.462 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3)C[C@@H]21 1791076147 TVUDBEFVGMZTEK-JYJNAYRXSA-N 377.441 -0.460 30 20 GBED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]2C1 1791262230 XRXUQJLVQWTKHU-NZNQWUEYSA-N 387.502 -0.565 30 20 GBED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)C2 1793562961 YAOVTNHEUVGGJW-PDWCTOEPSA-N 376.413 -0.739 30 20 GBED O=C(CCN1CCOC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1797164087 DHPKVBYUSZKSLY-JLVBRIDZSA-N 375.425 -0.168 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)C2 1798393242 LRXPWPBWDVLQBY-ITGHMWBKSA-N 392.456 -0.204 30 20 GBED Cn1nc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1O 1804900033 VKCHNOHQJKUCCX-SCLBCKFNSA-N 397.391 -0.072 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CS(C)(=O)=O)C3)C2)C1 1829665112 SYXRUZNBBFVQLQ-KRWDZBQOSA-N 386.470 -0.546 30 20 GBED O=C1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CN1 1829946529 PFQGBLSSZQXCRK-UZLBHIALSA-N 389.452 -0.618 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1831487323 NAFHRJMGOAPFFM-BLLLJJGKSA-N 383.474 -0.171 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1831488645 YTICULMBLLUVDS-RLFYNMQTSA-N 383.514 -0.075 30 20 GBED CN(C)C(=O)NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831666075 UAWMWXNHAOHAKO-HNNXBMFYSA-N 392.456 -0.035 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1836508161 NLWZUTSGBIJYCO-BONVTDFDSA-N 399.429 -0.294 30 20 GBED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840157214 IAHZXNXGZDHGSY-DXCKQFNASA-N 387.502 -0.324 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1840411208 FCCIAEUVTRAHED-LJQANCHMSA-N 388.424 -0.275 30 20 GBED C=CCSCC(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1841883710 CGUHDVBXFNWBPY-UHFFFAOYSA-N 389.441 -0.451 30 20 GBED CCS(=O)(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)NCCC#N 1847787119 GQUBCFLOIFULLR-KBPBESRZSA-N 384.502 -0.095 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1 10793685 XZRRCEHOLSFGBW-UHFFFAOYSA-N 385.398 -0.228 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 264220967 YENKKZHFYYIULL-UHFFFAOYSA-N 398.510 -0.690 30 20 GBED C=CCN(C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)[C@H]1CCS(=O)(=O)C1 264435826 RKBUYXVEAYXWBP-FZMZJTMJSA-N 385.467 -0.082 30 20 GBED CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 267998833 SWNSPLCMMVJRMN-AWEZNQCLSA-N 389.460 -0.206 30 20 GBED CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCCn2cnc(C#N)n2)c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c3ccccc3O)CC2)CCO1 436484021 CZYBGHKSSTXXTL-CYBMUJFWSA-N 380.426 -0.381 30 20 GBED Cc1cc(NC(=O)C(=O)NCC(=O)NCC#N)ccc1-n1nnnc1C(C)C 509013022 GHMRPGRMGQXOJY-UHFFFAOYSA-N 384.400 -0.211 30 20 GBED Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)NCC(=O)NCC#N)CC2)c1 511901011 MFALGLUHUKRHHB-UHFFFAOYSA-N 393.469 -0.041 30 20 GBED CCN(CC(=O)NCc1ccc(C#N)cc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 513335431 PGSCKMAVLWTJIG-INIZCTEOSA-N 392.481 -0.200 30 20 GBED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCCCCC#N)CC1 578509422 GJEFQNRTGCWLNI-HNNXBMFYSA-N 379.461 -0.812 30 20 GBED N#Cc1cccc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2C[C@@H](O)C2)n1 600765965 GMWQCMNNSAZLEF-BJHJDKERSA-N 388.471 -0.225 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C(=O)N2CCOCC2)C(C)C)C1=O 726042445 JCRAKYMYPWILAR-CYBMUJFWSA-N 381.385 -0.610 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)CCN1C1CC1 739066885 UGCFHDJPWYZBCZ-OAHLLOKOSA-N 399.407 -0.362 30 20 GBED COC(=O)CNC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767628127 PVZYRJAWTDUIRI-GHMZBOCLSA-N 397.409 -0.554 30 20 GBED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)C(=O)NC 788177267 QXNROJWRAOYHLI-STQMWFEESA-N 396.469 -0.493 30 20 GBED C#CCn1ccc(CN(CC)C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)n1 790117583 AMMUXTBTJUJPOJ-GDBMZVCRSA-N 392.481 -0.100 30 20 GBED CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2cncc(C#N)c2)(C(N)=O)C1 810073619 BQQSHYQGQZHPGM-UHFFFAOYSA-N 381.414 -0.294 30 20 GBED C#CCCS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 810785467 IGHNWNSWROYSOH-UHFFFAOYSA-N 376.412 -0.617 30 20 GBED C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 823844918 KFXAEUNFGFOXOA-JTQLQIEISA-N 399.429 -0.183 30 20 GBED C#CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 823849895 BRMZFSTVUFFDAE-UHFFFAOYSA-N 377.386 -0.286 30 20 GBED C=CC[C@H](CO)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 823888038 DDIAYAKFKVNKAE-RYUDHWBXSA-N 394.457 -0.166 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(=O)O)nc2)CC1 833365396 HUENOBVKDCLWST-UHFFFAOYSA-N 380.426 -0.774 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1 848941340 MPBIWRXPXCVTFB-CQSZACIVSA-N 397.478 -0.021 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@H](C)C2)nn1 949157692 FBWHLQRAWRNZPX-IXYNUQLISA-N 376.461 -0.240 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 950629918 TVOMLYVPCJIENL-OLMMMNRUSA-N 392.500 -0.295 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn3nccc3nc2C)C[C@@H]1O 970706402 IVGBMLQZXVRWFC-OJLVUWQFSA-N 385.424 -0.070 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1O 1025708979 ATNRFFJEDISGLQ-NGFQHRJXSA-N 376.413 -0.442 30 20 GBED CCc1nc(C#N)cc(N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H](OC)C2)n1 1042979653 PAZZZWRZKPSHSL-XJFOESAGSA-N 388.428 -0.737 30 20 GBED Cc1nsc(N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)c1C#N 1051462227 VKKKJXZAGIJOCR-DNIRFERGSA-N 386.441 -0.418 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)CC 1109082458 YHHMPZJAXMSHIP-CRWXNKLISA-N 379.461 -0.366 30 20 GBED C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N[C@H](C)C(=O)N(C)C 1109262687 QFSQJOMTXNGVCM-WCVJEAGWSA-N 378.473 -0.659 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 1196320637 NNGGGIKJCUNVTJ-ZJIFWQFVSA-N 387.440 -0.642 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)CC2)cc1 1261162666 WNDYMMLQKPZCRT-IAGOWNOFSA-N 399.451 -0.648 30 20 GBED N#C[C@H]1CN(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CCO1 1318724965 BMZHIJMEXTVEDJ-AWEZNQCLSA-N 386.474 -0.106 30 20 GBED CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NC2CCN(CC#N)CC2)c1 1318951858 VBBMFIOGFLLHPR-UHFFFAOYSA-N 393.469 -0.054 30 20 GBED C#C[C@H](C)NC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 1320901341 OQZLAFPNWHBSHW-HNNXBMFYSA-N 385.468 -0.027 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 1323701991 YGYUOJTUHRHCHS-NEPJUHHUSA-N 380.488 -0.825 30 20 GBED CCCNC(=O)CN1CCC(NC(=O)C(=O)NC2CCN(CC#N)CC2)CC1 1325593478 GAYFCPAWYQGQBK-UHFFFAOYSA-N 392.504 -0.803 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)/C(=C/c2ccccc2)NC(C)=O)CC1 1332508207 TYUQITPOUOGTMV-VKAVYKQESA-N 390.465 -0.225 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@]1(O)CCN(C)C1 1337960195 BLAHXTBYXMPCPF-SFHVURJKSA-N 383.412 -0.431 30 20 GBED C=CCn1c(C[C@H]2CCNC(=O)C2)nnc1N(C)CC(=O)N1CCOCC1 1339014846 MJWWGCUGSZRAJG-CQSZACIVSA-N 376.461 -0.172 30 20 GBED CN1CCN(Cc2cccc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)c2)CC1 1339912909 FPOAGWYKZPCOOY-SFHVURJKSA-N 393.513 -0.007 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)CC1 1342828454 BUERIACQQGOKTL-HZPDHXFCSA-N 385.534 -0.098 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc([C@@H]2CCCOC2)nn1C 1344117221 VJMMEZMQMWPKEB-GFCCVEGCSA-N 384.458 -0.030 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCCN(C(=O)OC)C2)CC1 1345549495 VHZZCBMHNGWQSA-CQSZACIVSA-N 378.429 -0.679 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 1346167371 FOFORVJNGOGSMH-OAHLLOKOSA-N 397.501 -0.883 30 20 GBED CN(C[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1)S(C)(=O)=O 1346591151 LWOHMOOYAHFRPE-CYBMUJFWSA-N 396.473 -0.135 30 20 GBED COc1cc(-c2nn[nH]n2)ccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1571286240 BVVZHVSYYRQYTH-MEDUHNTESA-N 388.409 -0.114 30 20 GBED C=CCOCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 1573343872 UQGHNRBSOWEORQ-AAEUAGOBSA-N 375.389 -0.911 30 20 GBED C#CCOCCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H](C)OCc3cnn[nH]3)[C@@H]2C1 1575014198 XWTWFBPXRJHAQO-IIAWOOMASA-N 375.429 -0.191 30 20 GBED N#Cc1nccc(N2C[C@@H]3C(CNC(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@H]3C2)n1 1581885329 WKZIWXDPBRVYRA-VXGBXAGGSA-N 376.384 -0.031 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588405161 MEBNXKDSHVXGRD-AWEZNQCLSA-N 388.432 -0.146 30 20 GBED C[C@H](NCC(=O)NCC#N)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1589959132 UFXQCSZLZGLQSR-NWDGAFQWSA-N 385.432 -0.335 30 20 GBED CN(C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(=O)CSCC#N 1591046480 SMCGVXKRBOPRCM-JTQLQIEISA-N 378.418 -0.999 30 20 GBED N#Cc1nc(=NCCCOCCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cc[nH]1 1592709965 PTNXBFNKXULHSC-UHFFFAOYSA-N 382.388 -0.473 30 20 GBED C#CCN1CCC[C@H]1C(=O)NCC1(N=c2cc[nH]c(-c3nn[nH]n3)n2)CCC1 1602721517 MPJZRKKJQBOSFW-ZDUSSCGKSA-N 381.444 -0.373 30 20 GBED C#CCN1CCC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)C1 1602721526 MZHFUSXTPNYZCZ-LBPRGKRZSA-N 386.464 -0.156 30 20 GBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNc1snc(C)c1-c1nn[nH]n1 1602724323 CNAXNUBIVFJOAW-WDEREUQCSA-N 379.446 -0.099 30 20 GBED CCn1cc(-c2nn[nH]n2)c(=O)n(CC(=O)Nc2ccc(CC#N)cc2)c1=O 1604599576 ROJWDDZOODDXKR-UHFFFAOYSA-N 380.368 -0.085 30 20 GBED N#Cc1ccc(NCC2(O)CCN(c3ccc(-c4nn[nH]n4)nn3)CC2)nn1 1606377942 XZVWUUJFUJIRJC-UHFFFAOYSA-N 379.388 -0.238 30 20 GBED Cn1c(=O)[nH]c(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(C#N)c1=O 1611739876 OOJGDRNZBBYYEL-UHFFFAOYSA-N 386.387 -0.155 30 20 GBED N#Cc1cn(CC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)c(=O)nc1O 1635653501 UXOUIARWDXDWJW-UHFFFAOYSA-N 383.364 -0.489 30 20 GBED COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccc(F)cc1C#N 1671975869 SQOFVXWVQZDHCE-ZDUSSCGKSA-N 390.414 -0.201 30 20 GBED Cn1nncc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1696888116 XAYKGCDMMOUGNT-UHFFFAOYSA-N 393.411 -0.158 30 20 GBED N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC(=O)N2CCOCC2)CCO1 1698493405 LSENYNIEHVVKAO-CYBMUJFWSA-N 384.400 -0.677 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)n3cnnn3)CCO2)C1 1778977025 XRMIOWASCXFCTF-GLJUWKHASA-N 392.460 -0.363 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1778979676 PMAPRSCXAPJDJM-KSSFIOAISA-N 377.445 -0.319 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779879928 WRBQAXUKIQGHJN-HWPZZCPQSA-N 379.442 -0.663 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1783558130 OIFUOMALJJHBNF-QGZVFWFLSA-N 379.319 -0.109 30 20 GBED COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)nn1 1789105608 XHKUWQFHNZASRV-OBJOEFQTSA-N 388.380 -0.834 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ncccc13)C2 1793342737 NTOGFTGRTWQCBF-ZXFNITATSA-N 397.435 -0.029 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2 1793357906 FLNCXZNMNZPISL-NFFDBFGFSA-N 392.460 -0.500 30 20 GBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1795420704 BPVRSRIFQIOGEA-DDFAGTSDSA-N 376.335 -0.442 30 20 GBED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1807196319 UBXIIIPFVXJIOW-AEIGPULVSA-N 393.513 -0.002 30 20 GBED N#CC1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CC[C@H](N)C(N)=O)CC3)CC1 1814468526 YPXVUHYKVYWTIM-UWVGGRQHSA-N 390.469 -0.048 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CN)sc2C1 1817061742 OPCLGZOJNQQFQN-MXFLAHGMSA-N 392.485 -0.801 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1830054099 DYGAMZZBGGSXGR-INIZCTEOSA-N 387.458 -0.963 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833224978 LIXVBDUWJOBSOU-RDTXWAMCSA-N 393.444 -0.524 30 20 GBED COC[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833530743 ODSOBMIWWHVIMX-AWEZNQCLSA-N 379.457 -0.072 30 20 GBED CC[S@@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC#N)CCO2 1835356573 DIYDWNDFMSSOTC-WGDIFIGCSA-N 385.486 -0.095 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1837403228 PNCJBMNGQMAOEB-JXFKEZNVSA-N 395.500 -0.423 30 20 GBED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1838403964 JDKHTWABQQOODB-IBGZPJMESA-N 379.457 -0.731 30 20 GBED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)S)CCO2)C1 1840157241 ISHZWBUJKYNRAJ-XNJGSVPQSA-N 387.502 -0.324 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1840160031 UYQNFAQEYWBWGK-IINYFYTJSA-N 376.504 -0.612 30 20 GBED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812274 IHEQUDSOUGGCOK-IFXJQAMLSA-N 392.456 -0.352 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1841600141 IEUUHSWLOUDYDF-HNNXBMFYSA-N 397.497 -0.346 30 20 GBED CCNS(=O)(=O)[C@@H]1CCN(/C(=N\C2CC2)NC[C@@H]2CCS(=O)(=O)C2)C1 262329833 ASOIXWAGAFZROP-GXTWGEPZSA-N 392.547 -0.457 30 20 GBED C[C@@H]1CN/C(=N/CCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)N1 262675876 TXYOCXFYUROHMB-LLVKDONJSA-N 390.487 -0.272 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@@H](O)C2)CC1 265003448 FLNWSSTUKBYVMT-OAHLLOKOSA-N 378.454 -0.542 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC)C(=O)N2CCOCC2)cc1 267673490 CSDDVDKKMKFBJK-INIZCTEOSA-N 393.465 -0.035 30 20 GBED Cc1cnn(C)c1/C=c1\s/c(=C(\C#N)C(=O)NC[C@H]2CCCO2)n(C)c1=O 284966208 BAFDTZGXTOLTOD-UPFMSMTOSA-N 387.465 -0.713 30 20 GBED C=CCn1c(=O)/c(=C/c2ccnc(OC)n2)s/c1=C(/C#N)C(=O)NC(C)C 297568559 QZDNDAQBGRYBMG-NHERBMIYSA-N 385.449 -0.078 30 20 GBED COc1cncnc1NS(=O)(=O)CCCS(=O)(=O)N1CC(C)(C#N)C1 348346810 MFSUDHRDFOKXML-UHFFFAOYSA-N 389.459 -0.208 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O 373310752 WXGVDOOPTLODPU-UHFFFAOYSA-N 390.356 -0.068 30 20 GBED C[C@@H]1CC[C@@H](C)N1CCN1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409560372 ALODUBHRPOUAKU-BRWVUGGUSA-N 385.534 -0.054 30 20 GBED C[C@H]1CN(c2ccc(CNS(=O)(=O)N3CCO[C@H](C#N)C3)cn2)CCO1 409585040 NTLAAJARKVGAJY-DZGCQCFKSA-N 381.458 -0.135 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)CCn3cc(S(N)(=O)=O)cn3)CC2)c1 523836236 LJHHVMHLISDNSE-UHFFFAOYSA-N 389.441 -0.464 30 20 GBED N#CCN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)CC1 547711821 CSPIQPAYCBBWKT-UHFFFAOYSA-N 384.483 -0.043 30 20 GBED COC(=O)Cn1cc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)cn1 568744159 BVLYBNJBGMTPQH-UHFFFAOYSA-N 390.425 -0.166 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 576829027 SRNDLYVJISPXFM-QWHCGFSZSA-N 393.473 -0.398 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)CC1 577167424 KZXJFBNVPTYNFG-KDOFPFPSSA-N 388.472 -0.614 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)C1=O 577834582 RJAVELGQTJLGCO-MRXNPFEDSA-N 396.451 -0.153 30 20 GBED CN1CCC[C@H](N2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)C1 588126141 BHHPGPVOIXTZNS-KRWDZBQOSA-N 376.505 -0.671 30 20 GBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 592326494 ZFYLWQUKPHKVIJ-TZMCWYRMSA-N 398.379 -0.540 30 20 GBED COCCNCCNC(=O)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 593772331 BNARPICNQNTMEE-UHFFFAOYSA-N 387.484 -0.009 30 20 GBED COC(=O)[C@](C)(CO)NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 595531808 LYIBYTVQMKGMEA-DYVFJYSZSA-N 380.470 -0.029 30 20 GBED COCC(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 609412078 AXCNMPOYRYHWAU-UHFFFAOYSA-N 394.453 -0.272 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H](CN3CCCC3=O)C2)C1=O 658675883 CPYHWVSHUGBMCJ-GJZGRUSLSA-N 376.457 -0.297 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCc2nc(-c3ccccn3)no2)CC1 728533042 STFZLKBKQVJWHQ-UHFFFAOYSA-N 382.424 -0.042 30 20 GBED NC(=O)[C@@H]1CC(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)=NN1c1ccccc1 731861175 NXUXLMVXPOFYPO-XZKWLNOSSA-N 396.407 -0.251 30 20 GBED O=C(COc1ccccc1-c1nn[nH]n1)NCCN/C(O)=C1\N=CC=CC1=O 737928680 AMXFJFHXYXDPKL-BMRADRMJSA-N 383.368 -0.112 30 20 GBED C[C@H]1CS(=O)(=O)CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 739745086 KYPWJFPLCSJXKY-NSHDSACASA-N 385.467 -0.239 30 20 GBED COC(=O)CNC(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767677813 BGEJDCVBKMSPKE-MNOVXSKESA-N 397.409 -0.554 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 785155448 GLVXXRYYKDRMBL-UHFFFAOYSA-N 395.437 -0.588 30 20 GBED CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 787756809 RQPQZWNZNFBKAY-ZDUSSCGKSA-N 394.457 -0.978 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(OCC(=O)NC)cc1C 796986681 UHKCTVIZRLTKPG-UHFFFAOYSA-N 397.453 -0.225 30 20 GBED C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 808238444 FUDUOZGWWCSWCA-XJKSGUPXSA-N 397.435 -0.536 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CCOC 814248922 CMTBBNNKDBSEDZ-UHFFFAOYSA-N 397.407 -0.733 30 20 GBED CC1(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)OCCO1 848941621 WMLXXHOKRLNFSB-UHFFFAOYSA-N 375.428 -0.470 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2cnnn2C)cc1 848942476 MMTJWJFCFKQQHC-LLVKDONJSA-N 398.470 -0.174 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 854807611 ZUIQGDLPJAGHPH-LBPRGKRZSA-N 395.437 -0.006 30 20 GBED N#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 859621941 ADSFBXYYHQUVER-VIFPVBQESA-N 386.817 -0.532 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H](C)C1 959682276 ZQLKMENIISZKNV-OXHZDVMGSA-N 386.412 -0.415 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1OCC 983194962 SXODHYUZIZEYNE-BARDWOONSA-N 392.460 -0.215 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@@H]1CC 984936300 BIWAVVIXFNOJED-GGXPGOJBSA-N 392.500 -0.105 30 20 GBED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@@H]2CCS(=O)(=O)N2)c[nH]1 996629754 XIRLRAMNGQAJIU-RFGFWPKPSA-N 377.426 -0.560 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)C[C@H]1O 1023960257 FDPJQZNYMSIKGK-CUBALJKWSA-N 391.424 -0.334 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1O 1025711523 YCPSFQOITOLDHI-VQHPVUNQSA-N 379.457 -0.476 30 20 GBED Cc1nc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2cnc(C(N)=O)n2)ccc1C#N 1055229563 VZWPMOFWTQGPML-RDBSUJKOSA-N 380.412 -0.122 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCc2nnnn2C)[C@H](c2cncn2C)C1 1070690689 HTPWUMWLNWIMCR-KQTLUZQSSA-N 386.460 -0.381 30 20 GBED Cn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)CCCC#N)CC2)cn1 1116117388 MSEDKQCPAHJCAD-UHFFFAOYSA-N 375.476 -0.204 30 20 GBED CNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1117997305 KPSVFLORLPLGPB-AWEZNQCLSA-N 391.453 -0.480 30 20 GBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1c1cn(C)cn1 1130594369 DRABVNZJSHKWHE-KYHPRHEASA-N 387.484 -0.131 30 20 GBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1194880619 BSTOCDGAMGMVCQ-TVFCKZIOSA-N 383.489 -0.770 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H]2CC(=O)OCC)c1=O 1320460430 GUJCOPPRYQVWCD-CQSZACIVSA-N 378.429 -0.081 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NC[C@H]1COc2ccccc2C1 1322678451 KIEPCHMXFBVITQ-BZSIDJSBSA-N 398.419 -0.004 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)CC1 1322821862 ANJRYOZVUSSLHL-UHFFFAOYSA-N 384.440 -0.530 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC1COC(C)(C)OC1 1322908552 HYRPASOGTOIGTK-LBPRGKRZSA-N 388.428 -0.347 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC(C(=O)NCC(=O)OCC)CC1)[C@@H]1CCCO1 1324238190 DLFPQWNJGXSWLT-GJZGRUSLSA-N 393.440 -0.799 30 20 GBED N#Cc1ccncc1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1324315616 GXAMLFLLSBSSHO-CQSZACIVSA-N 391.453 -0.986 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N(CCN2CCOCC2)CC2CC2)nn1 1328209719 MSEVBHTZXSJMBN-UHFFFAOYSA-N 376.461 -0.349 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H](C(=O)NCCC)C2)C1=O 1331193553 QDAWYDBQIAFPIT-GJZGRUSLSA-N 378.473 -0.004 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)nc1 1332038650 VVMHLVIWLLNFMW-KRWDZBQOSA-N 393.451 -0.199 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2Cc2ccc(C)cc2C)CC1 1334505358 NIOSZNAYCUVMIL-UHFFFAOYSA-N 389.485 -0.072 30 20 GBED Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)nn1CCC#N 1336874989 XRSQZXFUPKJZQU-GFCCVEGCSA-N 382.446 -0.416 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)C1 1345856746 BDLQZPKPOZNWQL-DJJJIMSYSA-N 385.424 -0.643 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCC2CCN(C(=O)O)CC2)CC1 1573311478 RGZJMIVRCZKNEE-UHFFFAOYSA-N 387.462 -0.829 30 20 GBED C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N)[C@H]1CCS(=O)(=O)C1 1574672759 FRDJPXJXQCZDKO-OLZOCXBDSA-N 382.490 -0.610 30 20 GBED C=CCC(CC=C)C(=O)N[C@@H]1CN(C(=O)CC(=O)NCc2cnn[nH]2)C[C@H]1O 1575085432 MJBIIXDOVPAWCX-HUUCEWRRSA-N 390.444 -0.733 30 20 GBED N#CCc1ccccc1C(=O)N1CC(n2cc(-c3nn[nH]n3)c(O)nc2=O)C1 1581859658 OMKVLDWQCTZZPY-UHFFFAOYSA-N 378.352 -0.108 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@]2(O)CCN(c3ncccc3-c3nn[nH]n3)C2)c1 1581863027 UMWWQNFBISKDQM-QGZVFWFLSA-N 379.384 -0.167 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(CCO)CCN=c1cc[nH]cc1-c1nn[nH]n1 1588352750 VHWPZFAZJBHFAE-INIZCTEOSA-N 384.444 -0.986 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O 1588357633 OAPIMTLTGBPFFZ-RTXFEEFZSA-N 376.442 -0.372 30 20 GBED C#CCOCCC(=O)N[C@@H]1CN(Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O 1588362850 XMOGFGZDLWGAOX-HZPDHXFCSA-N 388.403 -0.293 30 20 GBED C=C(C)Cn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CCN(CC)CC1 1588436119 JUGNDUAXPSZPAW-UHFFFAOYSA-N 384.452 -0.184 30 20 GBED C=CCOC[C@H](NC(=O)CNc1ccc(S(N)(=O)=O)cc1F)C(=O)O 1588854150 PJHNJPFLDDNPNF-LBPRGKRZSA-N 375.378 -0.343 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)[C@H](C#N)C1 1609077461 KXEQNNFYYPOAQS-NXEZZACHSA-N 388.392 -0.667 30 20 GBED CCCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1745789022 UALQZTOEYAAWAY-CYBMUJFWSA-N 375.433 -0.231 30 20 GBED C[C@@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019188 NITGNZDCQDCIDV-OYABHWKLSA-N 379.461 -0.578 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783563114 WLCUHSZQCBCJHK-GOSISDBHSA-N 376.413 -0.814 30 20 GBED CN1CCN(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)CC1 1786703343 KAHVCNZCJCZZOQ-BZSNNMDCSA-N 391.516 -0.093 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1 1788557051 DIXUDLMFEXLRPT-OSFYFWSMSA-N 393.444 -0.357 30 20 GBED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21)N1CCN(C)CC1 1789798882 VRNAGKOTSIDPFN-OWSLCNJRSA-N 391.516 -0.094 30 20 GBED Cn1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1=O 1791072723 YRHBQNQHYRYOOE-QEJZJMRPSA-N 387.392 -0.933 30 20 GBED Cn1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cccc1=O 1791074405 ZYJFDJGKFNSWRU-YDHLFZDLSA-N 387.392 -0.933 30 20 GBED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1792631435 JVKVQKSEBFMRDM-DDFAGTSDSA-N 375.385 -0.359 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3nccn13)C2 1800779693 SOBGYJIITHRFSU-IVWMJMPLSA-N 382.376 -0.375 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CNC(N)=O)[C@H]1c1cccnc1 1814222295 MYLBIAIMMQRJRG-UKPHBRMFSA-N 387.440 -0.206 30 20 GBED N#CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1814487895 KBIHGLXYGZGKPY-SCZZXKLOSA-N 390.425 -0.043 30 20 GBED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1829856572 MNLQGWPFWVILRB-DNVCBOLYSA-N 392.456 -0.339 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)C(=O)C4CC4)CCO3)C2)c1 1830601806 KCDNKLUIOWTGOL-IBGZPJMESA-N 386.408 -0.065 30 20 GBED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)n1ccnn1 1831221165 GVEIZULATUOLRE-HNAYVOBHSA-N 387.440 -0.291 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)ncn4)C3)C2)CC1 1835338883 XLKZFGNOTWPUGV-GOSISDBHSA-N 387.396 -0.444 30 20 GBED NCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1835547214 ACLNQKGGQBJZGS-OAJJDEHYSA-N 393.465 -0.098 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3OC)C2)C1 1840841415 XYOKCFJHMQPQNA-IBGZPJMESA-N 390.440 -0.088 30 20 GBED C=CCCO[C@H](C)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 66318626 HSEMLWVUHVHSGN-ZIAGYGMSSA-N 394.515 -0.371 30 20 GBED C/N=C(/NCC(=O)N1CCCC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261764571 NJRPPIDKLWEPKJ-UHFFFAOYSA-N 398.489 -0.680 30 20 GBED COCCCS(=O)(=O)NCCN1CCN(c2nccnc2C#N)C[C@@H]1C 268268768 GTMIPWQURUBOKT-AWEZNQCLSA-N 382.490 -0.185 30 20 GBED CCOCCCNC(=O)/C(C#N)=c1/s/c(=C\c2ccnn2CC)c(=O)n1C 270063428 LSLHOGMOXPKLQI-VMGXVOIUSA-N 389.481 -0.291 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCN2CCNC(=O)C2)cc1 272662553 IHSYUHJBPGEDPD-UHFFFAOYSA-N 379.442 -0.960 30 20 GBED Cn1cc(N2CCC[C@@H](/N=C(/O)N3CCc4nn(C)c(=O)cc4C3)C2=O)cn1 329816764 WEEVIHZFXLGVJB-OAHLLOKOSA-N 385.428 -0.019 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(/C(O)=N/CCN2CCOCC2(C)C)CC1 330507671 FOKJJSUDCDPHIS-UHFFFAOYSA-N 383.493 -0.320 30 20 GBED C[C@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nn(C)cc2C#N)CO1 349573283 KZMKNKLWCDUGQJ-CMPLNLGQSA-N 391.475 -0.480 30 20 GBED Cn1c(=O)c2c(ncn2CC(=O)N2CC(Oc3ccc(C#N)cc3)C2)n(C)c1=O 372798530 FVCDDWMDFCMRNA-UHFFFAOYSA-N 394.391 -0.405 30 20 GBED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccnn2CC)c1=O 512748517 ZJHPIBBNIHKISB-UHFFFAOYSA-N 387.465 -0.422 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCc4c[nH]nc4C3)CC2)c1C#N 562203672 JFVOIPWJMMCEAE-AWEZNQCLSA-N 396.455 -0.354 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)C[S@@](C)=O)cc1 571581363 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CN1CCCN(CCCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 733882423 LOUJSWVSIVVQSQ-UHFFFAOYSA-N 393.513 -0.131 30 20 GBED C#CCOc1ccccc1CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 754318762 DKAQREGXTJLOQC-UHFFFAOYSA-N 387.483 -0.390 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1=O 790400440 MHYQRISCMCTCMX-QMTMVMCOSA-N 392.456 -0.231 30 20 GBED N#C[C@@H](C(=O)c1cc(-c2nn[nH]n2)cs1)C(=O)N1CCS(=O)(=O)CC1 822801834 PFIXUZBRPASQLN-VIFPVBQESA-N 380.411 -0.492 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1n[nH]c(CC(=O)O)n1 827755463 QOHAZKSYDMVOIR-QMMMGPOBSA-N 378.370 -0.391 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(c2ccc(OCC)nn2)CC1)[C@H]1CCCO1 829213881 DBJCHRUEABHOJB-LSDHHAIUSA-N 387.440 -0.179 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CN(C)CCc2ccccc2)CC1 831583812 AQVOPAIYZZFXJV-UHFFFAOYSA-N 378.498 -0.227 30 20 GBED C[C@@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 846966632 GKHAMQAIJZDDHK-LBPRGKRZSA-N 379.508 -0.663 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](O)C2)cc1 848638330 GDWHZWABYRQYRP-CYBMUJFWSA-N 383.451 -0.411 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 848941231 JXYKIRYWELXCRN-UHFFFAOYSA-N 396.494 -0.230 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)N1CCCn2ncnc21)C(C)C 848963444 RRLXRAYEQWQKLE-ZDUSSCGKSA-N 389.503 -0.215 30 20 GBED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCNC2)cc1 850837653 BLCXUDZMFQMZGC-HJIPDZNASA-N 393.469 -0.084 30 20 GBED CON(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 862163321 YNSVDCQJLQVXSQ-NSHDSACASA-N 385.384 -0.339 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 893819346 KJYUSCPDPYNLSD-OAHLLOKOSA-N 392.485 -0.545 30 20 GBED C#CCCCc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1CC 908869635 PDPZHBYARGLCBN-UHFFFAOYSA-N 388.472 -0.239 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2nc(OC)cc(OC)n2)C1 968617334 UTFZTKZKYGOSIC-NDBYEHHHSA-N 392.412 -0.614 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 969587073 NBJDAEDFQHPWEY-UXOAXIEHSA-N 376.413 -0.937 30 20 GBED C#Cc1ccccc1CC(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 970674406 OWSZTLVGIYSQOE-XDNAFOTISA-N 383.448 -0.200 30 20 GBED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2ccc(O)nc2=O)c[nH]1 998003939 BFDJEJZBLPBTID-RDBSUJKOSA-N 382.380 -0.289 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC(=O)NC(=O)C2)cn1 1004744377 KFZNBJBZDCBPDA-OAGGEKHMSA-N 380.404 -0.023 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC(=O)NC(=O)N2)c1 1005973201 CWMRZNJSIOFREV-KBXIAJHMSA-N 381.392 -0.477 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1O 1023907833 NPYYIEGCYOLPGL-HZMVEIRTSA-N 375.425 -0.007 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)C[C@H]1O 1023960137 AMSUNPTYGRFRRN-MPESAESLSA-N 388.424 -0.537 30 20 GBED C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCNS(C)(=O)=O)CC1 1110152464 VRCXMPXRIOSULY-IKGGRYGDSA-N 382.530 -0.398 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1C(F)(F)F 1112116350 ZTSYBGVGGALUTK-SFTQSGBHSA-N 377.363 -0.481 30 20 GBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1258047670 OEITYDDWTODNPL-ZDUSSCGKSA-N 384.440 -0.273 30 20 GBED C#CCNCC(=O)N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 1263100472 OZZCHBYEXKREQJ-UHFFFAOYSA-N 378.498 -0.360 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 1322791439 BXDZAQWUSSFIQO-CQSZACIVSA-N 399.469 -0.767 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1323671486 DKQWSOAAILZCCN-CQSZACIVSA-N 393.465 -0.288 30 20 GBED N#Cc1ncn(CCNC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)n1 1324546896 ITPOQGKQPUNLFY-UHFFFAOYSA-N 381.462 -0.251 30 20 GBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1326846084 MOBOVDLVJYHAHZ-ZIAGYGMSSA-N 390.415 -0.046 30 20 GBED N#C[C@H]1C(CN2CCN3C(=O)C(=O)NC[C@H]3C2)=CC(=O)n2c1nc1ccccc12 1340898481 SUQACCJQWCVXQV-KBPBESRZSA-N 390.403 -0.134 30 20 GBED C=CCn1c([C@H](CC)CO)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 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C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2 1793356881 CPLMKMYVDZGOFL-VXIBKDFQSA-N 394.516 -0.586 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1793819897 DTAZYFPTZVVHIO-YWVIFJGQSA-N 381.502 -0.665 30 20 GBED C[C@@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797744323 BNXSPUWTASANOX-JYINCGGUSA-N 379.461 -0.818 30 20 GBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1800986310 LORCUXCGJCYMSV-CHWFTXMASA-N 379.442 -0.903 30 20 GBED CCS(=O)(=O)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822197466 RAXCOGOYKHWVLD-LBPRGKRZSA-N 396.425 -0.076 30 20 GBED C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1)n1cncn1 1825675077 UDTIIRRLLCHJAU-NXEZZACHSA-N 388.409 -0.004 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)C1 1829944939 QJGKGRYVRJOCKS-QRWLVFNGSA-N 391.468 -0.065 30 20 GBED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056472 ANRZXWGXRVOANE-LIRRHRJNSA-N 394.472 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Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(C#N)c(C#N)[nH]1 26269899 CSKAFIJEOJHSGD-UHFFFAOYSA-N 389.397 -0.235 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)C1=O 265947268 XMZDPQKWQKNHJL-NEPJUHHUSA-N 385.442 -0.223 30 20 GBED CN(C)CCN(C(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 274578331 GBOVGDUQYIJLNR-INIZCTEOSA-N 392.481 -0.135 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1=O 281334912 KZYPDZYLRMVRKW-LBPRGKRZSA-N 388.428 -0.931 30 20 GBED Cn1cc(N2CC[C@@H](N/C(O)=N/CC3CCN(S(C)(=O)=O)CC3)C2=O)cn1 328678354 MLUGLTKDBPVJGA-CQSZACIVSA-N 398.489 -0.299 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(/C(O)=N/[C@@H]1CCO[C@@H](C3CC3)C1)C2 329816626 WAAYBHIJHUBUJC-ZIAGYGMSSA-N 392.460 -0.180 30 20 GBED CNS(=O)(=O)N1CCN(C(=O)C/N=C(/O)c2ccc(F)cc2F)CC1 330604313 XZGLVIBGUPKVBF-UHFFFAOYSA-N 376.385 -0.122 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 330650304 JJYWAIOPKWWJAX-DNVCBOLYSA-N 393.488 -0.568 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CC/N=C(/O)N(C)C)CC2)o1 330706675 UEXPZHRTBQKLHY-UHFFFAOYSA-N 377.449 -0.089 30 20 GBED CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)NCC(=O)NCC#N)CC2)C1 377067765 OYZRWWDCVULNBM-CQSZACIVSA-N 394.476 -0.037 30 20 GBED CC(C)[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1nc(-c2nc[nH]n2)no1 409508677 SIWSRYZRUZGSCY-VHSXEESVSA-N 382.406 -0.389 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCCN2CCNCC2)CCN1Cc1ccccc1 419861494 FEKFVRYAAXGFOX-GOSISDBHSA-N 384.484 -0.756 30 20 GBED C=CCN(C(=O)C(=O)NCC(=O)N(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 446053557 PRWRQXVZRWLNLO-CYBMUJFWSA-N 385.428 -0.058 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccn(C)c1=O 465417002 LVWSRPCGHUCRFW-LBPRGKRZSA-N 381.396 -0.277 30 20 GBED C[C@H](C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1)n1cnc(C#N)n1 481303103 VSCGXROKZIUIED-LLVKDONJSA-N 378.414 -0.104 30 20 GBED COCCn1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)n1 551190362 MLAYPONAZBIFNV-UHFFFAOYSA-N 383.412 0.083 30 20 GBED CN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)[C@@H]1CCN(S(C)(=O)=O)C1 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C[C@@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(CN2CCO[C@H](C#N)C2)C1=O 736222613 IWCAWECPHVZVLU-DYVFJYSZSA-N 382.384 -0.184 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N1CCNC1=O 767677801 BAULMXWSTAROMC-SNVBAGLBSA-N 380.382 -0.680 30 20 GBED C#C[C@H](C)N(C)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 773954164 MZFVWBBAYNAFKG-BFHYXJOUSA-N 375.429 -0.063 30 20 GBED C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 808238441 FUDUOZGWWCSWCA-BBRMVZONSA-N 397.435 -0.536 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCOC[C@H]1CC(=O)OC)c1cc[nH]n1 813664538 PHUFXCXGXRCWFY-LLVKDONJSA-N 382.373 -0.516 30 20 GBED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cn(C)nc3O)nc2)CC1 814215459 PXJJPRABNYDVJM-UHFFFAOYSA-N 379.446 -0.097 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C2CCN(CC(F)(F)F)CC2)CC1 831556854 WOGFVTIPKMPNOP-UHFFFAOYSA-N 396.435 -0.128 30 20 GBED CN(C)S(=O)(=O)NCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 832164133 ZMOBBYRJVJAZLN-QWRGUYRKSA-N 375.451 -0.742 30 20 GBED O=C(N[C@H]1CCCN(O)C1=O)c1cncc(C(=O)N[C@H]2CCCN(O)C2=O)c1 848132044 HANAAEGLMBXDLB-STQMWFEESA-N 391.384 -0.698 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)CC1 859225723 UKLANPPFIDDALV-OAHLLOKOSA-N 386.456 -0.943 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2COc3cc(F)ccc3C2)CC1 895801543 KLFISUCMPSMQOX-OAHLLOKOSA-N 396.444 -0.076 30 20 GBED CN1CCN(C(=O)N2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)CC1 896235248 CRQCABHJRJBQCC-UHFFFAOYSA-N 398.467 -0.200 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc(OC)n(C)n2)[C@H](OC)C1 943892265 VSSJQDXPLCIRFS-REBRKWNGSA-N 378.429 -0.025 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn(C)n1 960636691 CNMUNQXUACBIRS-SYAUCNOPSA-N 375.429 -0.152 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 970740892 YYZXVAPPDJBXHC-RZFFKMDDSA-N 376.413 -0.937 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@H](c2cn(C)cn2)C1 993544226 LBJFEZVWCAHIMX-UGQVUOCMSA-N 389.456 -0.313 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)cn1 994613089 GUHTZNVGOHSOCS-QIJZBDPFSA-N 384.436 -0.080 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCNC(=O)C1 1000574698 OMWWOQJPTDNOTF-OWYFMNJBSA-N 376.457 -0.743 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(O)n2)C[C@H]1O 1023915720 DPYKGNUYINJMLM-MXYBEHONSA-N 378.429 -0.202 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COC2CCOCC2)C[C@H]1O 1023960407 JQRGLIQJLKHBPJ-VQHPVUNQSA-N 382.457 -0.149 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)Nc2cc(C)nn2C)C[C@@H]1O 1083470744 LFHLIRBZSWWGPR-WCVJEAGWSA-N 391.472 -0.190 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](C)n1cncn1 1109157384 DNIWAWJGPMVFNS-MQYQWHSLSA-N 375.433 -0.428 30 20 GBED C=CCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1118383941 KTEDFJONRRIHOS-UHFFFAOYSA-N 381.454 -0.162 30 20 GBED C#CCNCC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1121941220 DTBKKIMYMHRLFX-UHFFFAOYSA-N 393.465 -0.096 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)[C@H](C)C1 1208054399 BSUJCUMODNGRQA-KBUPBQIOSA-N 388.472 -0.028 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC(C(=O)N2CCOCC2)CC1)[C@@H]1CCCO1 1261154660 QAWYSRDUYIUPBH-HOTGVXAUSA-N 377.441 -0.619 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCCC[C@H]1CN1CCCC1=O 1261927375 JYVZGEMCCSPWDR-AWEZNQCLSA-N 385.486 -0.293 30 20 GBED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O 1322266317 ZORQUTCWXLPFBO-DYVFJYSZSA-N 390.421 -0.371 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2nc(-c3ccccc3)c[nH]2)c(=O)n(C)c1=O 1322762132 KFHYLELAYTYFPV-UHFFFAOYSA-N 388.409 -0.214 30 20 GBED CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2cccc(OCC#N)c2)C1 1322829083 UHHFJEWDWOQZCV-CQSZACIVSA-N 380.426 -0.645 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1 1323097556 OAGYIILFUCOMBM-UHFFFAOYSA-N 385.424 -0.630 30 20 GBED N#CCC1(CNC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 1324175922 YWIRSDVKPIHMBN-UHFFFAOYSA-N 395.441 -0.541 30 20 GBED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCNC(=O)C2)cc1 1330826803 HEGMECSIMKHZPY-LLVKDONJSA-N 378.410 -0.341 30 20 GBED C=CCn1c(CN2CCC(C(N)=O)CC2)nnc1N(C)CCN1CCOCC1 1339094139 CSDBNLUMPMCQOU-UHFFFAOYSA-N 391.520 -0.070 30 20 GBED C=C(C)Cn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCN(C(C)=O)CC1 1343906403 GITILSPAQDSYON-UHFFFAOYSA-N 387.444 -0.413 30 20 GBED C=C(C)Cn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(CC(=O)NCC)CC1 1515173256 HFHAEXAJNFZSDT-AWEZNQCLSA-N 375.477 -0.284 30 20 GBED N#Cc1cc(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[nH]n4)nn3)C2)c[nH]1 1571153664 TUKYVPPHAQFCBD-GFCCVEGCSA-N 380.372 -0.190 30 20 GBED C=CCS(=O)(=O)CCn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@H]1C[C@@H](N)C1 1574950354 GDYISMKXERQDEP-MJBXVCDLSA-N 396.517 -0.202 30 20 GBED C[C@@H](OCc1cnn[nH]1)C(=O)N1CCCC[C@@H]1CCNCC(=O)NCC#N 1575823287 OSTZOKWQDSOJKG-UKRRQHHQSA-N 377.449 -0.290 30 20 GBED N#Cc1cncc(N2C[C@@H]3C(CNC(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@H]3C2)n1 1581877983 RALNTXUVVDQHIN-CHWSQXEVSA-N 376.384 -0.031 30 20 GBED C#CCCN1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1588346683 STGWDNSMVOUDRF-UONOGXRCSA-N 389.441 -0.859 30 20 GBED C#CCNC(=O)[C@H](C)N(C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588353288 MYSSKLUWYBBVOX-QWHCGFSZSA-N 384.444 -0.273 30 20 GBED C=C[C@](C)(O)CC(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nn[nH]n3)cn2)C1 1588502972 VOFDRXMTLZCWLS-DLBZAZTESA-N 388.432 -0.251 30 20 GBED Cn1c(=O)[nH]c(N2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c(C#N)c1=O 1592544686 WKFSDBHFXXRPDQ-UHFFFAOYSA-N 397.374 -0.409 30 20 GBED C#CCNC(=O)CN1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC1 1602722177 FJWIGEUBJFAQBH-UHFFFAOYSA-N 385.388 -0.772 30 20 GBED CN1CCN(CCNC(=O)NCCn2cc(C#N)c(O)nc2=O)CC1(C)C 1686255999 ZYOYNKNQLPJDLS-UHFFFAOYSA-N 377.449 -0.854 30 20 GBED COCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1712425818 JJIPFNRPFXGODB-OAHLLOKOSA-N 391.476 -0.293 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@@H]1O 1757178205 WHFXVEYZYPWPEE-FQLMCAECSA-N 382.461 -0.506 30 20 GBED 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MGUOQYPXOUJURQ-AYDFFVQHSA-N 393.488 -0.631 30 20 GBED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=N)N)C3)cc1 1799641837 PWEBQEZNKFYUFI-SCAQPMJSSA-N 384.440 -0.561 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnn3c1)C2 1800779408 ABZCHKRFFHFMCH-ZSBFGKGUSA-N 382.376 -0.375 30 20 GBED C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2)n1cncn1 1826797975 KDPKCMLCPUWSQJ-VHSXEESVSA-N 388.409 -0.004 30 20 GBED CCS(=O)(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1831345637 LKWQHBIVDDABQX-IUODEOHRSA-N 394.515 -0.804 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)OC)C2)C1 1831388562 UTMKJOCAEKLFLE-DNVCBOLYSA-N 382.457 -0.094 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1831488643 YTICULMBLLUVDS-HDMKZQKVSA-N 383.514 -0.075 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831563724 JHJFEXZGCULSAU-GLJUWKHASA-N 397.428 -0.858 30 20 GBED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834761110 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COCCNC(=O)/C(C#N)=c1/s/c(=C/c2cc(F)ccc2OC)c(=O)n1C 290881591 BXTUDHFCMJSDNU-OYQKDTLKSA-N 391.424 -0.140 30 20 GBED Cc1nc2n(n1)C[C@H](/N=C(/O)Nc1cnn(CC(=O)N3CCOCC3)c1)CC2 330000942 XIKMUMIPCFUAHY-CYBMUJFWSA-N 388.432 -0.017 30 20 GBED Cc1nc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)nn1C 349603318 RSMIRAHIDSCDKN-UHFFFAOYSA-N 376.464 -0.569 30 20 GBED Cn1cnc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C)(C#N)C2)n1 349618915 ORIKFENTFMBPQK-UHFFFAOYSA-N 376.464 -0.488 30 20 GBED CC(C)Oc1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1C#N 372663844 VQRCPBUHZMJGNH-AWEZNQCLSA-N 399.407 -0.547 30 20 GBED CCC[C@H](O)[C@H](CO)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 411781117 IRNYIRXPMQRQEI-ZFWWWQNUSA-N 389.387 0.460 30 20 GBED C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C)N1 418958532 GKABOSAZHSYJJF-VBQJREDUSA-N 383.452 -0.016 30 20 GBED CCOC(=O)CN(CC(N)=O)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 475260871 WMITUSRMFRBZBU-UHFFFAOYSA-N 377.401 -0.052 30 20 GBED N#Cc1cccc(F)c1CC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 491901022 KHPDYYOLYXYIBM-HOTGVXAUSA-N 381.429 -0.458 30 20 GBED Cc1ccc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)cc1S(=O)(=O)NCC#N 518715953 OIUNUDUKWNLTSZ-ZDUSSCGKSA-N 390.421 -0.183 30 20 GBED Cc1ccc(C(=O)N[C@H](C)C(=O)N2CCOCC2)cc1S(=O)(=O)NCC#N 524578096 GEQIKMZQWVJDJF-CYBMUJFWSA-N 394.453 -0.226 30 20 GBED N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(N)=O 524749385 VHLNFCPMSNYWGL-UHFFFAOYSA-N 382.401 -0.268 30 20 GBED C[C@@H]1C[C@H](O)CN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 530519032 AWCFGIIYCRZUDZ-ZBFHGGJFSA-N 392.481 -0.154 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CC(O)(CC#N)C2)cc1 573220990 WEYFUYUAJLPUCC-UHFFFAOYSA-N 398.466 -0.130 30 20 GBED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)N(C)CCC#N)c1 609198175 XNUZKKOUCIYLNU-UHFFFAOYSA-N 389.459 -0.787 30 20 GBED CC(=NNC(=S)NCC(N)=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 731929569 GNKNBQGPNJSKDT-UHFFFAOYSA-N 399.498 -0.619 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)O)ccc2F)CC1 736076373 NCMHCZZKZOCVDF-UHFFFAOYSA-N 383.401 -0.420 30 20 GBED CCN(CCC#N)C(=O)COC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 738861746 VPSGBEAJIPWZQG-UHFFFAOYSA-N 387.396 -0.140 30 20 GBED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)CC1 747850234 WKHWZLJJKGGDIC-UHFFFAOYSA-N 399.494 -0.255 30 20 GBED NC(=O)c1ccc(NN=Cc2c(Cl)nc(N)nc2N2CCOCC2)nn1 756834710 CHLUSQNTKAHFOC-UHFFFAOYSA-N 377.796 -0.116 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C2=NN(CCO)C(=O)CC2)[C@H](C#N)C1 756920045 MFVFBHBDGIQKON-DGCLKSJQSA-N 379.417 -0.168 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2C(=O)OCC)CC1 799769143 XDIGBGQIKYAINA-UHFFFAOYSA-N 393.465 -0.081 30 20 GBED N#CCCN(CCN1CCOCC1)C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 822811025 QZCYYKLGDQJVGX-AWEZNQCLSA-N 386.464 -0.347 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 831561564 ZWSYXVJBYPNLSQ-UHFFFAOYSA-N 398.529 -0.367 30 20 GBED O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)N[C@@H]1CCCN(O)C1=O 848137268 BVKCJZNWCUYVJS-GFCCVEGCSA-N 399.425 -0.377 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1cn[nH]c1)[C@@H]1CCCO1 848962880 BDFIRYSUNQSWBE-STQMWFEESA-N 376.460 -0.358 30 20 GBED CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(C#N)c1 1109563238 NBFWEQHEULBODY-PMPSAXMXSA-N 377.470 -0.166 30 20 GBED N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)CN1C(=O)CCC1=O 1110301727 KWSCEVZZRBVVQH-RQJABVFESA-N 380.470 -0.525 30 20 GBED C[C@H](CC(=O)N1C[C@@H](CO)[C@H](CO)C1)/N=C1/NS(=O)(=O)c2ccccc21 1118884144 AILQLXJNQNSUBS-AGIUHOORSA-N 381.454 -0.437 30 20 GBED C=CCn1c(N2CCN(CC(=O)NCCOC)CC2)nnc1C1(O)CCC1 1121476858 BVRXWROXFKLEFR-UHFFFAOYSA-N 378.477 -0.280 30 20 GBED C=CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCN(C)[C@@H]2CC)C1 1129003392 DAMDZKJRSHWNRD-HZMVEIRTSA-N 389.504 -0.348 30 20 GBED C#CCCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1c1cncn1C 1131070105 FTFWFNPLZNYWNU-XYVMCAHJSA-N 387.484 -0.037 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCC(=O)N(C)C)[C@H](c2cncn2C)C1 1131072207 NEHNVGLQYQSADT-ANQUJSFKSA-N 375.473 -0.017 30 20 GBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)CC[C@@H]2CC[C@H](C(F)(F)F)O2)C1 1219832339 QECQSJAXDIZCAU-QNWHQSFQSA-N 392.378 -0.322 30 20 GBED C=CCN(CC=C)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 1220391140 BNAJHVLUFKVDSA-MLHJIOFPSA-N 387.484 -0.115 30 20 GBED O=C(NCC#Cc1ccccc1)C(=O)NCCNS(=O)(=O)c1cccnc1 1321972402 JTXLJSFKPFMCQM-UHFFFAOYSA-N 386.433 -0.356 30 20 GBED N#Cc1ccc(CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)nc1 1323253891 HAOFDKITJKEDRG-CYBMUJFWSA-N 375.410 -0.265 30 20 GBED COC(=O)C1(O)CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 1323331582 QPKZNNQSWWFDCC-UHFFFAOYSA-N 380.422 0.000 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(=O)n(C)c3ccccc23)CC1 1348997649 MDFXLAKJSVNIKZ-UHFFFAOYSA-N 388.449 -0.236 30 20 GBED C=C(C)Cn1c([C@H]2CNC(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1356103597 ZMDJCJAADYPWFK-CHWSQXEVSA-N 387.444 -0.070 30 20 GBED CN(C)S(=O)(=O)CCS(=O)(=O)N1CCN(c2ccccc2C#N)CC1 1462985046 NNJVIDVQPHKTHK-UHFFFAOYSA-N 386.499 -0.099 30 20 GBED N#C[C@H](C(=O)c1cccc(Cn2cncn2)c1)C(=O)N1CCS(=O)(=O)CC1 1515210829 WYKWGRJUYMCGLV-OAHLLOKOSA-N 387.421 -0.094 30 20 GBED C=CCCO[C@H](C)C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[nH]n3)nn2)C1 1573335789 DNQZFXVGBSIRAZ-SJKOYZFVSA-N 388.432 -0.305 30 20 GBED C[C@@H](C#N)C(=O)N1CCN(CCN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1573569781 FIVJDUOJZZAGLF-LBPRGKRZSA-N 385.432 -0.429 30 20 GBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)CC(=O)NCc2cnn[nH]2)C[C@H]1C 1575100263 NGBQEVBTKRDVPX-VNHYZAJKSA-N 392.460 -0.245 30 20 GBED N#Cc1cn(CC(=O)Nc2ccccc2C(=O)NCc2cnn[nH]2)c(=O)nc1O 1577717643 LFOANSZVXMQAEQ-UHFFFAOYSA-N 394.351 -0.493 30 20 GBED N#Cc1ccc(C(=O)N2CCO[C@@H](CNc3nccnc3-c3nn[nH]n3)C2)[nH]1 1581868109 JCDFIICSUQHTSU-NSHDSACASA-N 380.372 -0.190 30 20 GBED C#C[C@H]1COCCN1C(=O)C(=O)N1CCO[C@H](c2ccc(-c3nn[nH]n3)cc2)C1 1588330402 BHCXROYXEJXBEH-HOTGVXAUSA-N 396.407 -0.373 30 20 GBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1C 1588354318 KUIXVJROLMVKSN-PWSUYJOCSA-N 384.400 -0.947 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588354431 MUZLWQOOJPHDCO-QWRGUYRKSA-N 386.416 -0.653 30 20 GBED C=C(C)C[C@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588406507 VIQXBBWIBZOGPW-DGCLKSJQSA-N 394.457 -0.023 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588505302 PCFSKFQYXQFHAU-IAGOWNOFSA-N 389.416 -0.785 30 20 GBED C=CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1588659983 UVOVCPAEVJCUCO-WCQYABFASA-N 388.432 -0.684 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 1588723257 JLTJKUBNDKBBAL-XQQFMLRXSA-N 386.416 -0.431 30 20 GBED CN(CCOCCNC(=O)c1ccc(C#N)[nH]1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1591110936 XEGAUPJHXIHCAP-UHFFFAOYSA-N 397.399 -0.087 30 20 GBED Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)COC(=O)[C@H](C)CC#N)CC2)o1 1592337216 PZMBTKCEWORQJF-SNVBAGLBSA-N 388.388 -0.095 30 20 GBED O=C(C#CC1CC1)N1CCOC2(C1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 1592766843 TXYDOUACQDGEFP-UHFFFAOYSA-N 381.396 -0.338 30 20 GBED O=C(CC#Cc1ccccc1)NC[C@H](O)CNc1cnc(-c2nn[nH]n2)cn1 1592803002 MIPACPDSYXLJRY-CQSZACIVSA-N 378.396 -0.013 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2C[C@H]3COC[C@@]3(C(=O)O)C2)cc1 1605612631 QSKKNAVJNHRMMO-LRDDRELGSA-N 379.394 -0.604 30 20 GBED CCOC(=O)O[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782713660 WOCKAFGMRDJGER-SJKOYZFVSA-N 382.369 -0.534 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783982375 QEDZIWXFWJDWRB-ZANVPECISA-N 383.392 -0.187 30 20 GBED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 1789890218 FAFXUYRILCPSBG-IHRRRGAJSA-N 391.428 -0.093 30 20 GBED O=C(O)C#CC(=O)Nc1ccc(C2(NC(=O)C[C@@H]3NC(=O)NC3=O)CCC2)cc1 1791442932 CJWPKTGCWFFYGI-ZDUSSCGKSA-N 398.375 -0.193 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nsnc1NC 1792479577 IPJCEESTJBWCTM-FVCCEPFGSA-N 393.469 -0.179 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccncc13)C2 1793343299 RNNZOWXGIHTGOM-ZXFNITATSA-N 397.435 -0.029 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSC(=N)N 1795506664 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375.539 -0.106 30 20 GBED C[C@@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cccc(C#N)n1 349468820 ADHHLIOMXRZBFR-NSHDSACASA-N 376.460 -0.273 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C 349479998 MDQOCRLUZZXYFN-SASJJMKUSA-N 399.560 -0.277 30 20 GBED CC(=O)N[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)C1 349522306 MQUROKPGPXATSK-YPMHNXCESA-N 380.492 -0.910 30 20 GBED CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCOC1 349579789 UDHKGTKNZCGRQT-LBPRGKRZSA-N 391.475 -0.385 30 20 GBED C=CCN(C)CCN(CC)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 411639903 JUAIIUIETHZZJM-UHFFFAOYSA-N 395.548 -0.571 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCN([C@H]4CCNC4)CC3)CC2)nc1 423072537 PQVJKUFCLQSISR-KRWDZBQOSA-N 397.483 -0.892 30 20 GBED COC(=O)C[C@]1(NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCOC1 464598798 OAMRJIUEOILFCI-GOSISDBHSA-N 391.428 -0.185 30 20 GBED COC(=O)C[C@@]1(NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCOC1 464598803 OAMRJIUEOILFCI-SFHVURJKSA-N 391.428 -0.185 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 509180913 BKAPSUCHLYZXMM-HIFRSBDPSA-N 395.485 -0.342 30 20 GBED N#Cc1ccc(S(=O)(=O)CCN2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@@H](O)[C@H]32)nc1 519651861 NNZQZPBEWXTPAC-DGHYXXHJSA-N 375.450 -0.213 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 543753719 AZHJCSQGUVDLPE-NSHDSACASA-N 383.478 -0.138 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 563892929 DUWXGDCEUDKKIG-UONOGXRCSA-N 387.444 -0.476 30 20 GBED COC[C@@](C)(O)CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 565229598 SZIQVNFDVFLTIB-AWEZNQCLSA-N 391.471 -0.446 30 20 GBED CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3(C#N)CC3)cc2)CC1=O 569472291 ONEFIQNMDVDDBO-UHFFFAOYSA-N 398.466 -0.516 30 20 GBED N#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)n1 577951775 SIEWJCDTUXMHSH-UHFFFAOYSA-N 389.397 -0.852 30 20 GBED CN(C)C1CN(S(=O)(=O)c2ccc(S(=O)(=O)NC3(C#N)CC3)cc2)C1 580449456 QNAVYSOJFCSTPT-UHFFFAOYSA-N 384.483 -0.044 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(c2snc(C)c2C#N)CC1 596746961 CCSRPUZVQPTNLR-QWHCGFSZSA-N 399.498 -0.033 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@H]3COCCN3)C2=O)cc1 599943141 ITFZFIJQLKIZOI-HOCLYGCPSA-N 385.424 -0.726 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCO)CCOCCO 600116233 MGTOUDZBQAMNDE-CYBMUJFWSA-N 385.442 -0.945 30 20 GBED C[C@H]1CC(=O)NCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 615000816 VZYFIHIACGJEKK-LBPRGKRZSA-N 381.396 -0.126 30 20 GBED CC#CC[C@@H](CO)NC(=O)[C@@H]1[C@@H](C)CC(=O)C[C@H]1C(=O)N[C@@H](CO)CC#CC 649181913 LKAYYAWEVXAFOJ-HRAJDOBDSA-N 390.480 -0.001 30 20 GBED CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)C1 727010346 VQMUIYUGBSSLJD-MRXNPFEDSA-N 386.408 -0.042 30 20 GBED CN(CCOC(=O)COc1ccc(C#N)cc1)S(=O)(=O)N1CCOCC1 731291806 BHGCBCYNVVHTJG-UHFFFAOYSA-N 383.426 -0.011 30 20 GBED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cnn(CC)c2)c1=O 732561162 IDJZMJPASWHCJH-UHFFFAOYSA-N 389.481 -0.198 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccsc2C(=O)O)C1=O 736106730 JUIOGRSYKRMDCF-UHFFFAOYSA-N 395.349 -0.095 30 20 GBED Cn1c(N2CCN(c3ccccc3-c3nn[nH]n3)CC2)c(C#N)c(=O)n(C)c1=O 737597139 QGYQZNPKIIQLAG-UHFFFAOYSA-N 393.411 -0.538 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 738675176 YAXOMMDHLPXDNU-NSHDSACASA-N 383.382 -0.104 30 20 GBED CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1=O 757574461 FOTDJAWIXWTRGC-VHSXEESVSA-N 379.373 -0.718 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 784222756 LIPIITZSOGMOFW-CQSZACIVSA-N 398.441 -0.580 30 20 GBED C[C@@H](C(=O)OCC(=O)NC1(C#N)CCC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 784230728 QJZVRGZFWIVFSG-QPKSUZNQSA-N 375.381 -0.357 30 20 GBED CCC(CC)(CNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(=O)O 818657065 OLVZVQQOQZXWNN-SEYXRHQNSA-N 380.401 -0.364 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@@H](O)C(=O)O)CC2)cc1 833364110 JTBQBNOHNVEKKH-OAHLLOKOSA-N 380.422 -0.104 30 20 GBED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCNCC2)cc1 841144519 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C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H](C)C(=O)NC(N)=O)CC1 1111456504 HHCRQSMTLGEXPF-MIGQKNRLSA-N 375.473 -0.364 30 20 GBED N#CCNC(=O)CN1CCC2(CC1)CN(C(=O)[C@@]13COC[C@@H]1C3)[C@@H]1COC[C@@H]12 1205497288 RLRODFFCNRMNEM-MFCZKXCZSA-N 388.468 -0.398 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCC[C@@]1(O)C(=O)Nc2ccccc21 1213795839 MYJQLGKMXZUEBT-INIZCTEOSA-N 382.442 -0.087 30 20 GBED CS(=O)(=O)NC1CC(NC(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 1322581951 RACNVGZVHBIXOM-PIMMBPRGSA-N 376.438 -0.142 30 20 GBED CS(=O)(=O)NC1CC(NC(=O)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 1322581952 RACNVGZVHBIXOM-SSDMNJCBSA-N 376.438 -0.142 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCCn1ccnc1 1325329199 RZSSZDDZEJNTKC-CQSZACIVSA-N 382.428 -0.212 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)C1 1326112091 DFTZTHHJWBCWQO-FQEVSTJZSA-N 399.451 -0.672 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCc3c(nc(C)n3CCO)C2)C1=O 1326790456 GCRZKZRCYFHQPJ-GFCCVEGCSA-N 389.412 -0.866 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCC(CNS(C)(=O)=O)CC2)nn1CCC#N 1329160760 FRKFRJJMBLOOCF-UHFFFAOYSA-N 396.473 -0.169 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCO1 1330897500 CMEFYBFXSSFDAN-CQSZACIVSA-N 392.437 -0.730 30 20 GBED C=CCn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1C1(OC)CCOCC1 1338138174 IXRDRSDWCZRMCD-CYBMUJFWSA-N 390.444 -0.737 30 20 GBED CN1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@](O)(CC#N)C3)cc2)CC1 1338897720 DHWARMMWIGYTQT-HXUWFJFHSA-N 385.468 -0.068 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1CN(S(C)(=O)=O)C1 1343046330 MMOKISVIHPRBLK-LBPRGKRZSA-N 393.473 -0.540 30 20 GBED CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1 1346153129 QSNLTEQNUVIMIK-ZDUSSCGKSA-N 381.410 -0.664 30 20 GBED C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N(C)C 1359467427 RXGJHIFSMGBHSJ-NWDGAFQWSA-N 385.494 -0.038 30 20 GBED N#Cc1cn(CC(=O)NCc2cccc(C(=O)N3CCOCC3)c2)c(=O)nc1O 1567903235 IHYAABGDHZIVCS-UHFFFAOYSA-N 397.391 -0.391 30 20 GBED C=CCN(C)c1nnc([C@@H]2COCCN2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1574925244 LDJOHDKSKOSRBE-KGLIPLIRSA-N 384.506 -0.157 30 20 GBED C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)c2cncc(-c3cnn[nH]3)c2)C1 1575074988 YWHIVFXGAUJPIP-QGZVFWFLSA-N 386.412 -0.503 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1 1588525410 HFIJTGSCLROMQA-AWEZNQCLSA-N 385.428 -0.168 30 20 GBED C=CCOCC(=O)NCC1(O)CN(Cc2cc(-c3nn[nH]n3)ccc2F)C1 1588674760 SHVUEKQQNSJWDH-UHFFFAOYSA-N 376.392 -0.129 30 20 GBED C=CCOC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)O 1588851131 VYDIKVBXAYPZGV-CMPLNLGQSA-N 388.446 -0.524 30 20 GBED CN(CCC(=O)O)S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1598471422 LGNCCJMOAKIHBE-MNOVXSKESA-N 376.435 -0.014 30 20 GBED C[C@@](CO)(NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C(=O)O 1604196477 RAWMBVLRSHTUCG-YJBOKZPZSA-N 378.404 -0.040 30 20 GBED N#C[C@]12CN(C(=O)N[C@H]3CCOC4(CC(C(=O)O)C4)C3)C[C@H]1CS(=O)(=O)C2 1608192370 ZFADYWXBBJXDMV-CEBOURQWSA-N 397.453 -0.021 30 20 GBED CS(=O)(=O)NC1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1680024590 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CC(=O)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)ON=C(C)C)C2 1800540998 PTNYBJDXVAJAQV-FAYQHZLMSA-N 382.461 -0.097 30 20 GBED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830051133 YWFIWSXVQMQTIG-LIRRHRJNSA-N 394.472 -0.093 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H]1CCCCO1)CCO2 1832349842 CFKZEQRSHQGYPB-KXBFYZLASA-N 394.424 -0.510 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCC4)C3)C2)CC1 1835339984 XZQCRMOPBLVBCL-LJQANCHMSA-N 376.457 -0.158 30 20 GBED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2)C(F)(F)F 1835435629 HSEVGBGXTKTWJZ-HNNXBMFYSA-N 393.362 -0.351 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCSC(=N)N)CCO2 1835657030 GCUOYCWWJBJFHV-KRWDZBQOSA-N 382.486 -0.127 30 20 GBED CC[C@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1835913150 UYRACLRITRHMQR-HNAYVOBHSA-N 389.456 -0.046 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncon3)CCO2)C1 1838320318 HUACBMLYFWNYSF-SUMWQHHRSA-N 395.416 -0.060 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3ccco3)C2)C1 1840040898 DHJDQJDJAWSZQF-RTLBZRNLSA-N 388.376 -0.163 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1840162340 UKLSZRLYTCDBBF-CXAGYDPISA-N 381.454 -0.292 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840571650 FQJNMQGCTHDNQR-HNAYVOBHSA-N 396.488 -0.195 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nc(C)no3)C2)C1 1840841802 XBIWVBMBVSEXTN-SFHVURJKSA-N 376.413 -0.210 30 20 GBED CN(C)C(=O)NCC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844299054 ZZTWHNZZVHHAOH-YODDIOPGSA-N 395.460 -0.010 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)N(C)C(C)=O 1847262440 YDVHANSZTWQFFA-IQJIYECGSA-N 376.457 -0.087 30 20 GBED C/N=C(/NCC(=O)N1CCCCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 261747696 LLDULQUVIRMJEC-SFHVURJKSA-N 378.477 -0.116 30 20 GBED CCN1CCN(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(=O)C1=O 268042986 YUQMLGXFEPKECM-CYBMUJFWSA-N 393.444 -0.351 30 20 GBED C=CCc1ccc(OC[C@@H](O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)c(OC)c1 268983882 DWNZEGWXTUDHDN-CVEARBPZSA-N 389.452 -0.194 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC(C)(C)CN2CCOCC2)C1=O 269793671 ARJPTTLFWFPESB-UHFFFAOYSA-N 380.445 -0.220 30 20 GBED O=C(CN1CCOCC1)N1CCN(/C(O)=N/C[C@@H]2CC(=O)N(C3CC3)C2)CC1 329332697 JTZLBAVLBHTOHV-HNNXBMFYSA-N 393.488 -0.612 30 20 GBED O=S(=O)([C@@H]1CCCN(/C(O)=N/C[C@H]2COCCO2)C1)N1CCOCC1 329341981 PKDLMYDZWZPKRQ-UONOGXRCSA-N 377.463 -0.558 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)NCCC#N)c2cccnc21 349588259 FPPIEZLVNJUZSM-UHFFFAOYSA-N 387.487 -0.109 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCCCN3CCNCC3)CC2)cc1 419842619 BQHNTVDFOHKPMZ-UHFFFAOYSA-N 398.511 -0.386 30 20 GBED CN(C)S(=O)(=O)CCCS(=O)(=O)N(CCC#N)CCN1CCOCC1 447756539 GULKQGKBRAZWFX-UHFFFAOYSA-N 396.535 -0.854 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C1CC1 505695536 UZQDJFWYIAYNQA-UHFFFAOYSA-N 387.465 -0.448 30 20 GBED N#CCNC(=O)CNC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 511896794 PBXRJECKGFPWND-UHFFFAOYSA-N 390.419 -0.478 30 20 GBED N#CCNC(=O)CNC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 511920301 QQTORVXMLAJSMB-UHFFFAOYSA-N 398.467 -0.067 30 20 GBED COC(=O)c1cn(CCNC(=O)N2CCN(c3cnccc3C#N)CC2)nn1 567325474 YXKDNKSNEKNOIK-UHFFFAOYSA-N 384.400 -0.137 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)NCCOCCS(N)(=O)=O)CC2)c1 596623256 QLEJLZIWBBMDEW-UHFFFAOYSA-N 382.446 -0.910 30 20 GBED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NCc2ccc(OCC(N)=O)cc2)c1 603911547 RUBUISXAOXBFSN-UHFFFAOYSA-N 398.375 -0.313 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 646952652 FIIFRAPHOLINIU-CYBMUJFWSA-N 379.438 -0.626 30 20 GBED CC#CC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc[nH]n2)cc1 656366257 NKVABPRXRXIUQM-LLVKDONJSA-N 399.454 -0.342 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(C(=O)CC)CC2)c1=O 748068573 YGLMOGJYWAERBS-UHFFFAOYSA-N 377.445 -0.555 30 20 GBED N#Cc1cnn(CCOC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)c1N 766354216 MPVWJOVVEPZSPI-UHFFFAOYSA-N 398.427 -0.201 30 20 GBED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CCCN1C(=O)CNC1=O 766989607 YFDNCQLRLAWIAM-UHFFFAOYSA-N 380.382 -0.296 30 20 GBED C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)[C@H]1CCCO1 775347391 LXBHJJGYRDKUFV-HZPDHXFCSA-N 391.449 -0.282 30 20 GBED COCC[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(N)=O 775971869 LJHYMGPPOKOTKF-JQWIXIFHSA-N 382.442 -0.490 30 20 GBED C#CCN(C)CCCNC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 818615318 IGMNBYUBQSSRJR-INIZCTEOSA-N 384.436 -0.012 30 20 GBED O=C(NO)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 819552457 VVULEHNNGRYGHZ-MRXNPFEDSA-N 390.440 -0.398 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CCOC[C@H]1C#N 820443862 ABKYLWFWSVBMHF-ZYHUDNBSSA-N 391.413 -0.716 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](C)NC(=O)C2CCCC2)CC1 831561481 XIIOHFQUXFTLAI-AWEZNQCLSA-N 384.502 -0.317 30 20 GBED N#C[C@@H]1CNC[C@H]1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 834511917 PXXGXUAZEXCMLJ-NVXWUHKLSA-N 392.481 -0.132 30 20 GBED C=C[C@H](C)ONC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 846152349 SDMFZKKYMLNURO-NSHDSACASA-N 396.425 -0.632 30 20 GBED C#CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N=c2nc[nH]n2C)cc1 848940990 DWUXQIMAYYXNFC-UHFFFAOYSA-N 383.455 -0.318 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 848957534 MKAWDWIPDBSABM-CAOSSQGBSA-N 399.494 -0.620 30 20 GBED C=CCNC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 912686433 SCNSJFBWZFWGHV-LBPRGKRZSA-N 395.437 -0.345 30 20 GBED CC(C)NC(=O)[C@@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 916947263 XXJILVLCQZPLLB-ZDUSSCGKSA-N 382.442 -0.107 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)O[C@H](C)C(=O)NCC#C)nc1 919276235 SRYKAUHVJFLVPV-CHWSQXEVSA-N 385.376 -0.329 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 938430184 CJSVTBQHNKISDE-KFGODFMUSA-N 375.469 -0.147 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C2CCS(=O)(=O)CC2)C1 970816503 VHBAKQVLWBDXOI-KBXIAJHMSA-N 386.470 -0.910 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCNC(=O)C1 1003090011 RISBIKCRUBKLHE-LCEIHVTHSA-N 390.484 -0.353 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nc(C)c(C)[nH]c2=O)C[C@H]1O 1023943020 ZRQRECHRXBANIF-NHIYQJMISA-N 390.440 -0.331 30 20 GBED C#CCNC(=O)CC(=O)N1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)[C@@H]2C1 1056689828 GMJOSADKXUYOKO-ZMEFBDMZSA-N 385.464 -0.001 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1108484711 ONJRLSCKYLIOQE-XUWVNRHRSA-N 379.482 -0.908 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)nn1 1118178361 OFYCZCDCIKTSCY-GJZGRUSLSA-N 377.445 -0.141 30 20 GBED C=CCN(CC=C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1196184724 GKGNCBCULSQUCN-ZJIFWQFVSA-N 378.473 -0.927 30 20 GBED CCN1C(=O)[C@H]2CN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CCN2C1=O 1252860962 RZHMUZYBCWNZGL-CLMBFONXSA-N 390.400 -0.809 30 20 GBED CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1261925590 VXDSBXDOMZRLKR-AEGPPILISA-N 382.486 -0.343 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)OCCN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 1263369805 FTBQLHKSSRDMPW-ZBFHGGJFSA-N 390.440 -0.328 30 20 GBED NC(=O)COC1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1318810201 SMMOGGNEEVRQDM-UHFFFAOYSA-N 380.426 -0.782 30 20 GBED COC(=O)N1CC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 1323842177 HZZULAPBFFSGJR-UHFFFAOYSA-N 389.387 -0.087 30 20 GBED C=CC(C)(C)Cn1nnnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1334930545 RANLCLJWDWAJRI-UHFFFAOYSA-N 377.449 -0.607 30 20 GBED N#CCOc1cccc(CC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1341226883 ABWXHWZERJVPMT-CQSZACIVSA-N 379.438 -0.059 30 20 GBED C=CCn1c(C2=NO[C@@H](CO)C2)nnc1N1CCN(C(COC)COC)CC1 1342210453 ANZQEIMHXQJTIC-OAHLLOKOSA-N 394.476 -0.267 30 20 GBED C=C(C)Cn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1C(C)(C)COC 1343006630 DOLIYFHSIKMHRL-CYBMUJFWSA-N 376.461 -0.075 30 20 GBED N#Cc1cccc(NC(=O)CCN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 1345017800 QKYXTTZSETXVSI-IRXDYDNUSA-N 392.481 -0.338 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ncn(C)n2)cc1 1346577366 OASQWQAGKMGNNH-UHFFFAOYSA-N 384.443 -0.562 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2Cc3ccccc3CN2)CC1 1350070475 ZCUCHSVWYCYJPN-SFHVURJKSA-N 382.464 -0.195 30 20 GBED C[C@@H](C#N)C(=O)N1CC2(CC[C@@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)O2)C1 1573561717 MGUOTKCZWNAJTG-QWRGUYRKSA-N 384.400 -0.156 30 20 GBED C#CCCCCn1c([C@H]2CCCNC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1574545047 MEZOOPJQFLTLGY-HOTGVXAUSA-N 399.499 -0.304 30 20 GBED C#CCCCCCC(=O)N[C@@H]1CN(C(=O)CC(=O)NCc2cnn[nH]2)C[C@H]1O 1574882998 HVSLKHUGIIMIKO-HUUCEWRRSA-N 390.444 -0.917 30 20 GBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](N(CC)C(=O)CCOCc2cnn[nH]2)C1 1574985862 NIOICEHHUREXAG-GDBMZVCRSA-N 376.461 -0.228 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@]2(O)CCN(c3ccc(-c4nn[nH]n4)cn3)C2)c1 1581863083 WGBYYRDMKSECMQ-QGZVFWFLSA-N 379.384 -0.167 30 20 GBED C#C[C@@H](NC(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O)c1ccccc1 1588329529 IDZRWKCJMZHULZ-CYBMUJFWSA-N 380.368 -0.197 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CCCN=c1cc[nH]c(-c2nn[nH]n2)n1 1588351173 HVWCRPVIYPCPLD-KBPBESRZSA-N 383.460 -0.127 30 20 GBED C=CCn1cc(C(=O)NC[C@@H](CO)Nc2snc(C)c2-c2nn[nH]n2)nn1 1602882851 WXHZKGYAEDPFRU-VIFPVBQESA-N 390.433 -0.388 30 20 GBED CS(=O)(=O)CCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1698305843 MAPMVDWUYOIOLA-CYBMUJFWSA-N 396.473 -0.436 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)C1 1779873364 MTWKEVGGOCBNEP-IBGZPJMESA-N 385.424 -0.015 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)OC)[C@H]2C1 1786422181 QHLIJPMXTMMUCZ-VGWMRTNUSA-N 380.441 -0.042 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)NS(=O)(=O)CC 1793529203 JLKGDFUUBHOASO-DGADGQDISA-N 399.513 -0.009 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC)NC(N)=O)C2 1793819874 CLKRHUOFECCWPY-XFMPKHEZSA-N 384.502 -0.058 30 20 GBED O=C(CSc1nc[nH]n1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1801297183 FJIISILUHCVYDS-YWVIFJGQSA-N 375.454 -0.100 30 20 GBED Cn1nncc1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1804747833 PZWRMYRRPDOTLU-DYVFJYSZSA-N 382.380 -0.382 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CN)sc2C1 1817071059 KAFHQGREIMJPTN-NRUUGDAUSA-N 381.502 -0.086 30 20 GBED C[C@@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2)n1ccnn1 1824693656 WJWZOXWTOPTFAW-VHSXEESVSA-N 388.409 -0.004 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCOC)C2)C1 1831386616 BAKOOKKXOUBMQU-VQIMIIECSA-N 382.457 -0.092 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(C)=O)C2)C1 1831391707 UPQOABKBCLKZMF-QFBILLFUSA-N 380.441 -0.150 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncon3)C2)C1 1831425707 DEQPOPRCTDHRTJ-CXAGYDPISA-N 380.401 -0.269 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1832447478 YKYLUHXPGKUAKX-KSSFIOAISA-N 399.513 -0.127 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(C)=O)CCO2)C1 1834864928 VDFZXKBTUHTLPA-QFBILLFUSA-N 380.441 -0.150 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839373476 IPFCBWGLFZTPIN-GOSISDBHSA-N 376.365 -0.493 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839808650 WNCPFNSPUNELAD-FHIITYSISA-N 379.413 -0.395 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](CC)NC(C)=O)C1 1841085004 QEQBSYVYSFFPFE-ZPIQOJFGSA-N 376.457 -0.037 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1844158248 IJAKJGJDXYPDNU-BKQORJHRSA-N 395.460 -0.274 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)CN1CCNC1=N)C2 1845187850 BPUUOUIXTASOJR-UHFFFAOYSA-N 377.445 -0.461 30 20 GBED N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)[C@@H]3C[C@H](O)CN3)C4)c2c1 1845582348 SZCZWDKBYBDISP-BBRMVZONSA-N 394.435 -0.026 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@H]2C(=O)N2CCCC2)C1=O 264153177 HFKNPWILFQGPBQ-NSHDSACASA-N 380.426 -0.513 30 20 GBED N#C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCO1 269457511 RFHUZQBGSZUBET-HNNXBMFYSA-N 378.454 -0.256 30 20 GBED Cc1n[nH]c(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1C#N 278573068 ISLPGTIMRSENBM-UHFFFAOYSA-N 388.409 -0.037 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N(C)CC(=O)N1CCOCC1)c1cc[nH]n1 279133028 XKMXOAYCHBBYOI-XDJHFCHBSA-N 381.389 -0.989 30 20 GBED Cc1cc(NC(=O)CN2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)no1 282939623 URLAGRABRRRSAP-GFCCVEGCSA-N 384.462 -0.125 30 20 GBED CC(C)CN1CCN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1=O 297430165 APYJHKDTSKUHMP-UHFFFAOYSA-N 398.467 -0.071 30 20 GBED CCN1CCCN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1=O 297790286 KLEAOXBOLGVANS-UHFFFAOYSA-N 384.440 -0.317 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(/C(O)=N/CCOCC3CC3)CC2)CC1 329358034 GCHYLBSANARURI-UHFFFAOYSA-N 389.522 -0.563 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 349467146 MYFJAKNWAATFIO-KBUPBQIOSA-N 389.499 -0.233 30 20 GBED CC(=O)N[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N)C1 349522303 MQUROKPGPXATSK-AAEUAGOBSA-N 380.492 -0.910 30 20 GBED CN(c1cnn(C)c1)S(=O)(=O)CCCCS(=O)(=O)N1CC(C#N)C1 349602660 QNPKCGFUMKURFP-UHFFFAOYSA-N 375.476 -0.249 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2CN2CCCC2=O)C1=O 369182512 CVPIXLKTLWNEPH-ZDUSSCGKSA-N 376.413 -0.033 30 20 GBED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 370454122 DYKRMBSJHOVOED-CYBMUJFWSA-N 399.407 -0.547 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)CCO1 409531309 ABRQYXUOGFBHPV-INIZCTEOSA-N 399.517 -0.524 30 20 GBED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N[C@H](CO)CN2CCOCC2)c1 425288603 BSUTXFKNCCUHQR-ZWKOTPCHSA-N 386.452 -0.141 30 20 GBED COc1c(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c(C)nn1C 480038159 IHLDSCJCNGCJJZ-UHFFFAOYSA-N 397.439 -0.031 30 20 GBED N#Cc1cn(C2CN(C(=O)CNS(=O)(=O)c3cccs3)C2)c(=O)nc1O 530264710 ASHQAABRMIKHDO-UHFFFAOYSA-N 395.422 -0.756 30 20 GBED C=C(C)Cn1c(CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 549656202 AIFCPLHGKBWFSQ-UHFFFAOYSA-N 376.461 -0.076 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@]1(O)CN2CCC1CC2 571775036 PAJNUTDXVBUMQB-FZKQIMNGSA-N 392.481 -0.202 30 20 GBED CN1CC[C@@H]2CN(S(=O)(=O)c3ccc(S(=O)(=O)NCC#N)cc3)C[C@@H]21 574339896 XMRBFUHLKDUPMF-DOMZBBRYSA-N 384.483 -0.187 30 20 GBED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C)CCC#N)cn2)C[C@@H](C)O1 578846491 KNEHLVFBTZNFAJ-CHWSQXEVSA-N 376.417 -0.171 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCN3CCCC3=O)C2=O)cc1 583572351 CTQFDYHEWWEJQX-MRXNPFEDSA-N 397.435 -0.486 30 20 GBED COCCOCCNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 585732109 KBJMJFNQQNVXAX-UHFFFAOYSA-N 375.429 -0.183 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C(=O)OC)C[C@@H](O)C2)cc1 592329134 NQLQIYMPEYDUSN-DZGCQCFKSA-N 389.408 -0.077 30 20 GBED C=CCN(C(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21)[C@@H]1CCS(=O)(=O)C1 608584035 FMVNGKKIUWTINE-GFCCVEGCSA-N 394.453 -0.760 30 20 GBED Cc1cc(C#N)ccc1S(=O)(=O)NCCN1CCN(S(C)(=O)=O)CC1 610134702 NLVTYNKKLSVAMI-UHFFFAOYSA-N 386.499 -0.278 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O 646951980 VGQQJYAMXFQWTG-LBPRGKRZSA-N 379.438 -0.162 30 20 GBED C=C[C@H](CO)NCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 662168203 XNXFNALMXWYMTN-MRXNPFEDSA-N 395.481 -0.141 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCn2nnc3ccccc3c2=O)CC1 728533082 VASXBPLWTLUKNM-UHFFFAOYSA-N 382.424 -0.925 30 20 GBED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C#N)c(-c2nn[nH]n2)c1 735475482 QPIRNCBHQXICFU-AWEZNQCLSA-N 382.384 -0.196 30 20 GBED C#CCN(CC)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 762424924 PAQARQQDGQBSIR-OKILXGFUSA-N 375.429 -0.061 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)[C@H]1CCCO1 773800377 UDVDFOZWQMMPQR-LSDHHAIUSA-N 379.438 -0.029 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3CCOCC3)CC2)o1 778849620 QVFMPPLNGMSJJA-UHFFFAOYSA-N 377.401 -0.621 30 20 GBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F 807401883 XHYKKFJTWUMBNO-UHFFFAOYSA-N 395.301 -0.019 30 20 GBED N#Cc1ccc(S(=O)(=O)N(CC(=O)NCC(=O)O)C[C@@H]2CCCO2)cc1 821336090 JYVHKHAJKNKFKO-ZDUSSCGKSA-N 381.410 -0.071 30 20 GBED C=CCn1cc(C(=O)NC[C@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CCO2)nn1 944596623 FDUFNMBRVWXRNA-UIWYYIFQSA-N 387.440 -0.155 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COc2c(C)nn(C)c2C)C[C@H]1O 1025710624 YNCNVTHYEXQXKN-FPCVCCKLSA-N 392.456 -0.305 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCc2nnnn2C)[C@H](c2cn(C)cn2)C1 1070535965 XLWMKLITAGGVTE-CLWVCHIJSA-N 386.460 -0.381 30 20 GBED Cn1c(CN2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CSCC#N)cc(=O)n(C)c1=O 1110302740 PKWJYWQFALYVQZ-BNOWGMLFSA-N 377.470 -0.438 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@]1(C)CCNC1=O 1111016793 UVILNRLIGMGDLD-SDFXEEBMSA-N 377.445 -0.754 30 20 GBED Cn1cc(S(=O)(=O)N2CCC(NC(=O)C(=O)NCCCC#N)CC2)cn1 1117422673 KSWIRZWOXUUCFL-UHFFFAOYSA-N 382.446 -0.891 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CCN1Cc1ccccc1 1117603766 AVQOGKUNBYUEBW-BRWVUGGUSA-N 399.451 -0.628 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1nc([C@H]2CC[C@@H](CNCC(N)=O)O2)n[nH]1 1130813373 NFWHTUQNNOAZNF-JFILPPLUSA-N 392.460 -0.303 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1)[C@H]1CCCO1 1256966780 FYYGFQJMINJDBK-HZPDHXFCSA-N 393.465 -0.313 30 20 GBED CO[C@@H](C)c1noc(CN2CCCN(C(=O)NCC(=O)NCC#N)CC2)n1 1323413524 JYHFTYQAHKTRGL-LBPRGKRZSA-N 379.421 -0.366 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(C(=O)CC(C)C)CC2)C1=O 1325368049 BCMAOYJVWJRAHI-HNNXBMFYSA-N 378.473 -0.051 30 20 GBED C#CCOCCNC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 1329100716 XXMXSENGGYLZJJ-UHFFFAOYSA-N 380.489 -0.505 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](NC(N)=O)C2)CCN1Cc1ccccc1 1331172771 CHOVBBVZQLQCGH-JKSUJKDBSA-N 384.440 -0.508 30 20 GBED CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 1342750032 QMAHWZLUYUNDKH-HIFRSBDPSA-N 376.438 -0.188 30 20 GBED C#CCN1CCC[C@H]1c1nnc(N2CCO[C@H](C(N)=O)C2)n1C[C@@H]1CCOC1 1526229470 LVKZSSIYWDSWKZ-JYJNAYRXSA-N 388.472 -0.225 30 20 GBED C=CCOCC(=O)NC[C@H]1CCCCCN1C(=O)CC(=O)NCc1cnn[nH]1 1575110578 UHHQSUQNTXCESJ-OAHLLOKOSA-N 392.460 -0.099 30 20 GBED COCCN(CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1ccc(C#N)nn1 1579800250 GVBWDIREQHEKTK-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED C#CCNC(=O)CN1CCCC2(C1)CN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 1588354781 ZCJSFXIXAIVNRI-UHFFFAOYSA-N 382.428 -0.518 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2O)c1 1588380184 WRFXBLNTNGJJSM-ZIAGYGMSSA-N 377.368 -0.988 30 20 GBED C=CCCOCC(=O)N[C@@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 1588616643 KUMTWBDMCNXGPD-KRWDZBQOSA-N 388.432 -0.303 30 20 GBED C=CCOCC(=O)N1CC[C@]2(C1)CN(c1ccc(-c3nn[nH]n3)nn1)CCO2 1588667105 RNXATKXSBUESIJ-QGZVFWFLSA-N 386.416 -0.333 30 20 GBED C=CCn1cccc1C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588716798 MQAQMOCFSRUUKS-NSHDSACASA-N 384.400 -0.297 30 20 GBED CCOC(=O)c1cnn(C)c1NC(=O)Cn1c(C)nc(-c2nn[nH]n2)c1C#N 1604390589 VZTIOSYDYQUKAO-UHFFFAOYSA-N 384.360 -0.208 30 20 GBED CN(CCOCCN=c1cc[nH]c(C#N)n1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1604781672 UMMAGLNEDGZRLT-UHFFFAOYSA-N 382.388 -0.521 30 20 GBED COC(=O)CCNC(=O)COC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1604938051 CNNMUIJYQDVQOQ-ZDUSSCGKSA-N 386.368 -0.229 30 20 GBED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)NC(=O)OCC)CCO2 1783908103 ZWEHRVYLAAPCGN-MAUKXSAKSA-N 381.429 -0.316 30 20 GBED Cn1cccc1C(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791079687 ZXLGCIVRNDYYTA-YDHLFZDLSA-N 387.392 -0.725 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cnn(C)c3)[C@H]2C1 1791666558 ZKIZHYWJZAGLFO-DKIMLUQUSA-N 388.468 -0.019 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cccnc3n1)C2 1793345194 YMKOMNFKTFMUOJ-PNBKFKSVSA-N 397.435 -0.029 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC)NC(N)=O)C2 1793355337 FTUCMDOIKWISQL-RMEBNNNOSA-N 382.461 -0.386 30 20 GBED N#CCC(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1806280121 HKOJHMXPWFKBIN-XEZPLFJOSA-N 384.396 -0.401 30 20 GBED N#CCC(=O)N[C@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819881039 RAMTXHDXBPSNEJ-BONVTDFDSA-N 379.442 -0.381 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C)[nH]3)C2)C1 1831388492 YYIGYWIGDFXBNE-KUHUBIRLSA-N 390.440 -0.174 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1834760690 QXRGHVGPJYOKDU-GOSISDBHSA-N 380.445 -0.921 30 20 GBED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1)C(F)(F)F 1839893987 CBUAYGMUKDLCBB-WFASDCNBSA-N 393.362 -0.304 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1840844122 DVNYGIOIKQNNRB-QAPCUYQASA-N 375.429 -0.291 30 20 GBED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H](C)S)C2 1846561514 KJCNVMLVPXPZNL-BXUZGUMPSA-N 379.486 -0.021 30 20 GBED C/N=C(/NCc1nccn1C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261739521 KNIKIVBSSFALOZ-UHFFFAOYSA-N 381.462 -0.369 30 20 GBED CCn1c(=O)/c(=C\c2ccnn2C(C)C)s/c1=C(/C#N)C(=O)NCCOC 279971286 OXQBUOSGKBUZEZ-HXJVCGSMSA-N 389.481 -0.027 30 20 GBED CN1CCC[C@@H]1C(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 290278928 MBAOUMBLLMJPAZ-MRXNPFEDSA-N 391.497 -0.035 30 20 GBED CO[C@@H]1COC[C@H]1n1cc(CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)nn1 290954407 XMCBIXVLTNVHFA-IAGOWNOFSA-N 396.407 -0.058 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)cc1 299028398 VAEDOEIUTBSZPI-GFCCVEGCSA-N 394.453 -0.235 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C(=O)NCC3(C#N)CCC3)CC2)CC1 333890516 GUCYHGOLCYSBPS-UHFFFAOYSA-N 384.506 -0.500 30 20 GBED C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1cc(C#N)ccn1 349462819 LPVFCHITCXYKDG-DGCLKSJQSA-N 388.471 -0.130 30 20 GBED CC1(C)CN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)C2CC2)C[C@@H]1O 349469331 WKQZWBFSXRAQEQ-ZDUSSCGKSA-N 379.504 -0.273 30 20 GBED C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 363105254 UXFJYHKKZRVDEP-RRQGHBQHSA-N 393.465 -0.060 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 409828158 LLDFOVYRCYJAQB-STQMWFEESA-N 382.508 -0.599 30 20 GBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 508984449 FHEIAVFFGAFKDI-UHFFFAOYSA-N 383.364 -0.613 30 20 GBED C=CCN(C(=O)CSCC(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 516800384 KUVCVVDLAVYRMA-CYBMUJFWSA-N 376.500 -0.220 30 20 GBED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC1(C#N)CCSCC1 533748358 ULGNKUJQANQOFO-UHFFFAOYSA-N 376.504 -0.274 30 20 GBED COC(=O)C[C@@]1(NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CCOC1 566801490 UBXRGCBXRKPRNM-SFHVURJKSA-N 398.379 -0.084 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)[C@H](C)C1=O 571895536 RYTNKTQTRFDYIR-GFCCVEGCSA-N 394.519 -0.520 30 20 GBED CS(=O)(=O)NC1CC(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 619762769 JZDXKKOKKHKETD-UHFFFAOYSA-N 378.458 -0.135 30 20 GBED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)OCC(=O)NCC#N)CC1 731239829 UGXNPOUZJONSLV-UHFFFAOYSA-N 383.430 -0.390 30 20 GBED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNCCS(C)(=O)=O)CC1 733206065 UTJPZIIBFWMIPW-UHFFFAOYSA-N 377.492 -0.199 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 746215844 RCKQTUCGHOHAQN-NRFANRHFSA-N 384.480 -0.483 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 761029375 OHOGJEFMMLFCGV-UHFFFAOYSA-N 393.513 -0.546 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N(CCO)CCN2CCOCC2)c1 771818493 RVOOWLYGYRTLKX-UHFFFAOYSA-N 395.481 -0.635 30 20 GBED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 781473919 BUCAGFJSOLSENY-NWDGAFQWSA-N 385.442 -0.038 30 20 GBED COC[C@H](CNS(=O)(=O)CC(C)(C)C#N)NS(=O)(=O)CC(C)(C)C#N 790051116 KNHSIISKNMDGJO-LBPRGKRZSA-N 394.519 -0.060 30 20 GBED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC 799796685 OQJUEBYFDBXYAW-UHFFFAOYSA-N 382.485 -0.526 30 20 GBED C[C@@](C#N)(NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1N)C1CC1 800234566 BYNASVXAUGPCIT-INIZCTEOSA-N 380.426 -0.101 30 20 GBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 807073051 AWIAZCVHACAMCJ-GFCCVEGCSA-N 385.417 -0.095 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)[C@@H]1CCCO1 809309568 NONRNGGOPQIZGZ-IKGGRYGDSA-N 390.484 -0.562 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)CCO1 810090654 URLIHANSSQFJAH-MNOVXSKESA-N 384.380 -0.154 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(CN(C)C)c1 814883599 SUDRMCAUCOKEFS-UHFFFAOYSA-N 393.469 -0.152 30 20 GBED N#Cc1cncc(S(=O)(=O)NC(=O)c2ccc3c(c2)NC(=O)CNC3=O)c1 816095380 ZZABLBUKLOKPQX-UHFFFAOYSA-N 385.361 -0.246 30 20 GBED CCOC(=O)Cn1cnc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 819739185 VNCILPWNVZUCBH-UHFFFAOYSA-N 392.397 -0.482 30 20 GBED C#CCN(CC(=O)NCC(=O)NCCN1CCOCC1)C(=O)OC(C)(C)C 827260043 JQVFZCJLTRMQLT-UHFFFAOYSA-N 382.461 -0.579 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 850711220 QLBOMVZTXXIMQP-MRXNPFEDSA-N 380.489 -0.456 30 20 GBED N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)nc1 854010748 UBTCCSZDWAUQGP-UHFFFAOYSA-N 375.414 -0.108 30 20 GBED C#CCN1CCC[C@@H](NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 890366552 AZBLXELOFOMYSY-IAGOWNOFSA-N 398.529 -0.080 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 893824757 AZXNNNRUYHTVNT-KFWWJZLASA-N 382.486 -0.261 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cn(C)ccc2=O)[C@H](OC)C1 943901343 ITHVGYSJLADQEP-QIJZBDPFSA-N 375.425 -0.068 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 957748196 DFYAGUOFFJBTHE-MIGQKNRLSA-N 391.472 -0.165 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)c3ncn(C)n3)C[C@@H]21 960458020 MPZYSNXDYCBUOK-CBBWQLFWSA-N 375.429 -0.152 30 20 GBED CN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nc2)C1=O 1055102629 XZXOTMRBLRHCNL-XBFCOCLRSA-N 382.380 -0.400 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1058874004 LGATVPMNQIWVRA-ZOFXXKQRSA-N 382.457 -0.434 30 20 GBED C#CCO[C@H](C)C(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1074654615 UPLDWBOVMCHWPS-JHMPBIJASA-N 376.453 -0.082 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(=O)NCC1CC1 1111194794 DTGUATCOWNZNHN-MCIONIFRSA-N 377.445 -0.754 30 20 GBED C=C(C)Cn1c(Cn2cc(CCO)nn2)nnc1N1CCN(CCOC)CC1 1263284919 QSOFKBYUGXTAPE-UHFFFAOYSA-N 390.492 -0.203 30 20 GBED N#Cc1cccc(CNC(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c1 1323096525 CGDAJYUWFFMTHD-SFHVURJKSA-N 385.468 -0.303 30 20 GBED CNC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 1342621084 JLLDRZJRWHHQNE-OAHLLOKOSA-N 392.437 -0.392 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H](Cc2nccn2C)C1 1347198593 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382.388 -0.261 30 20 GBED COc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NCCn1cnc(C#N)n1 1605190115 XMPIBKIZKHEURY-UHFFFAOYSA-N 375.374 -0.683 30 20 GBED N#CCN(CC(=O)O)C(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 1608183473 BULKFPNFDVXWLQ-UHFFFAOYSA-N 387.439 -0.117 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1778973428 KLTOHVGCESLOGP-HNAYVOBHSA-N 381.473 -0.084 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779879930 WRBQAXUKIQGHJN-QFYYESIMSA-N 379.442 -0.663 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)c1 1780599980 JMSIUTCICGVDEW-OXQOHEQNSA-N 399.451 -0.405 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc3)C[C@@H]21 1783530033 AWRKADJLFBBXQI-SRMUPAJBSA-N 399.451 -0.072 30 20 GBED C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567571 SCEROTDSVHGODC-AUUYWEPGSA-N 387.392 -0.233 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784115303 AKKFCRQQIMAKBR-LIRRHRJNSA-N 375.425 -0.047 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)NC)[C@H]2C1 1784411106 OWQVWDAJLVKXOK-ZQDZILKHSA-N 381.473 -0.325 30 20 GBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)NC(=O)OCC)[C@H]2C1 1788474982 HRVSNZRPSBGULV-AYMQEEERSA-N 381.429 -0.556 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791075913 CIOGTDYBFZPKDH-KKUMJFAQSA-N 390.440 -0.664 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)CC)C2 1793340359 TWXWQTFSOUFKEO-JGFGOLAASA-N 379.457 -0.471 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2 1793355942 SDRRJTNSUZLRHS-BMFAXAFESA-N 395.500 -0.111 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1C)C2 1797714503 VTIOJXXLFDNSDS-SVZOTFJBSA-N 393.484 -0.230 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCNC(=O)C2)c1 1801067753 QADORTZPFVDVDZ-ZJOBFFGXSA-N 385.424 -0.384 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 1801069446 GSWXBDBOPQQUEP-WVCIDPQESA-N 394.472 -0.097 30 20 GBED Cc1nn(C)c(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1801380260 KEGWAXUTDMLNHL-HBCWATKFSA-N 388.424 -0.743 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)C1 1829669889 LVLYMKRLOSPCDH-IBGZPJMESA-N 388.424 -0.194 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1832447475 YKYLUHXPGKUAKX-KBXCAEBGSA-N 399.513 -0.127 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(O)nn4)CCO3)C2)CC1 1833830540 DVPPQQHXYBBCHE-SFHVURJKSA-N 387.396 -0.444 30 20 GBED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)nn1C 1834755975 PAMADHHZEAFIOB-GOSISDBHSA-N 375.429 -0.359 30 20 GBED CC(=O)O[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)C(C)C 1834760693 HJHQHTRMDHVFNO-AEFFLSMTSA-N 381.429 -0.056 30 20 GBED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cncn1)CCO2 1836139760 UIUNNHQCZAGLRS-IBGZPJMESA-N 389.456 -0.072 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)CCO2 1838471842 YXSCCTTZKQVFCD-LJQANCHMSA-N 399.407 -0.966 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccs3)C2)C1 1840041537 SOJXZBYSLVTMTA-INIZCTEOSA-N 379.394 -0.699 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1840844777 LBLQTOXLXWJKLV-LJQANCHMSA-N 388.424 -0.275 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(OC)c(OC)c1 10595066 GLPUGXHUPKBTCE-UHFFFAOYSA-N 379.369 -0.011 30 20 GBED N#C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 265292080 HTQQQROREFRGFM-LLVKDONJSA-N 383.386 -0.193 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 283105531 XQUVTYFQROKJEE-AWEZNQCLSA-N 395.489 -0.416 30 20 GBED C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 296923879 OJVDLFZPMHNFHQ-UHFFFAOYSA-N 383.474 -0.213 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H]2OCCN(C)[C@@H]2C1 330073464 KMBJCCVZORKLEL-MAZHCROVSA-N 378.454 -0.234 30 20 GBED CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)C(C)(C)C1 349456769 DQKWQEBOBMTUAY-STQMWFEESA-N 381.520 -0.027 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 349619038 OWTXTALEARJFRM-CBBWQLFWSA-N 393.531 -0.027 30 20 GBED C[C@@H](O)c1cn(C2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)nn1 365698297 NXIKXQABFCXLEQ-LLVKDONJSA-N 390.425 -0.435 30 20 GBED Cn1nncc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 480282390 HSUPWBMOCKYFTC-UHFFFAOYSA-N 396.454 -0.618 30 20 GBED C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NCC(=O)NCC#N)CC2)C1 511917841 ABMYFCLVVDDPEU-HUUCEWRRSA-N 378.477 -0.352 30 20 GBED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccccn3)c2=O)cn1 523575747 CLKBRWNLPQOWGM-UHFFFAOYSA-N 380.433 -0.241 30 20 GBED COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)NC3CC3)n(C)c1=O)OCO2 545367236 DAUVNOGWKCZLGV-UHFFFAOYSA-N 399.428 -0.034 30 20 GBED CC(C)(C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CC(O)(CC#N)C2)cc1 568415286 NLDOAPCWQQPHGY-UHFFFAOYSA-N 398.466 -0.084 30 20 GBED N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)CC2)nc1 590437241 WFLQTYJURCUCAE-CQSZACIVSA-N 378.458 -0.483 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](F)C2)s1 594636968 BKUUVTSELZTPNW-SECBINFHSA-N 382.464 0.520 30 20 GBED CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)Nc2sccc2C#N)CC1 600047326 GOXAMSHZAIQACR-UHFFFAOYSA-N 377.426 -0.245 30 20 GBED N#C[C@@]1(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCSC1 603885402 GPEPYRWUXMMKEH-INIZCTEOSA-N 394.478 -0.064 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCS(=O)(=O)CC1 731861012 FYTPNBANHYEYMX-UHFFFAOYSA-N 385.467 -0.238 30 20 GBED CC(C)n1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)cn1 732795817 ZTLGSLYRILLYRC-UHFFFAOYSA-N 387.465 -0.414 30 20 GBED COC(=O)CNC(=O)COC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745496366 LWZPRGLDAMWNBI-JTQLQIEISA-N 397.409 -0.664 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)OCc2nc(CC(=O)NC)no2)cc1 750322793 AXUHIUVPQMNZDX-UHFFFAOYSA-N 392.393 -0.373 30 20 GBED C#CCOCCC(=O)N1CCN(C(=O)CCOCC#C)[C@H](C(=O)N(C)C)C1 755968081 VUWVKLWCLZKZCR-INIZCTEOSA-N 377.441 -0.806 30 20 GBED CCS(=O)(=O)NCCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758355733 YJKLXOYRXHNNAT-VXGBXAGGSA-N 389.478 -0.016 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2ccc(OC(F)F)cc2)c(=O)n(C)c1=O 771897324 LKILKYHSKZRYGQ-UHFFFAOYSA-N 388.352 -0.002 30 20 GBED C#C[C@@H](NC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)[C@@H]1CCCO1 773800191 UDVDFOZWQMMPQR-CABCVRRESA-N 379.438 -0.029 30 20 GBED C=CCS(=O)(=O)CCNC(=O)[C@H](CC)N=c1nn[nH]n1-c1ccccc1 783617598 FQVCRMCJEBJVPO-AWEZNQCLSA-N 378.458 -0.008 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@@H](C)O[C@]3(CCOC3)C2)c1=O 794710667 ZIJHFJAOFIPPGF-RDTXWAMCSA-N 378.429 -0.619 30 20 GBED C#CCNC(=O)C1CCN(CN2C(=O)N[C@@](C)(CCC(=O)OC)C2=O)CC1 811738542 BEBVQEYIFZNQJN-SFHVURJKSA-N 378.429 -0.331 30 20 GBED C#CC[C@@H](CO)NC(=O)CSc1n[nH]c2nc(=NCC)nc(NCC)n12 820059675 KPUAWTILRGMICQ-JTQLQIEISA-N 378.462 -0.603 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C[C@@H]2O)cn1 969351529 RDHMNMAFMNEUKV-XEIOYGOASA-N 385.420 -0.584 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCNC(=O)C2)c1 1005973641 FSWNBTYQINLIJP-ZACQAIPSSA-N 381.436 -0.644 30 20 GBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@@H]1O 1083784747 MILPAUDEMBSBEX-MLHJIOFPSA-N 386.452 -0.025 30 20 GBED CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nc(C)ccc1C#N 1092898280 BVGXGFYCENKYEB-RDBSUJKOSA-N 378.458 -0.459 30 20 GBED C=CCNC(=O)CNC[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 1112529195 MHOSJLYWBIGALJ-ZTENYAIWSA-N 378.473 -0.460 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@]2(CCN(C)C2)C1 1117967591 ABYKAHNKAWWAEL-YWZLYKJASA-N 397.483 -0.060 30 20 GBED C[C@@H]1CN(CC(=O)NCC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O 1208604834 KCIMOVRRDQNSRG-NRSFXHEJSA-N 382.464 -0.288 30 20 GBED CN1CCC[C@@H](CN(C)C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1258383197 MQJYCLGITYUTLM-JFVSRZABSA-N 377.445 -0.571 30 20 GBED CN(C)S(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1 1298101911 OGJGXWDATOYTQH-GFCCVEGCSA-N 392.445 -0.645 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCCNC(=O)C2CC2)CCN1Cc1ccccc1 1322524913 OBHJLQXUBKIUDW-KRWDZBQOSA-N 383.452 -0.135 30 20 GBED CN1C[C@@H](NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1=O 1322594297 PLNBMBFGEHJTEU-KRWDZBQOSA-N 383.452 -0.061 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 1323781070 STBFEVBQJBDHTF-SFHVURJKSA-N 391.449 -0.174 30 20 GBED Cc1nnc(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1C 1326000252 PWMCRYIQYTZHCI-UHFFFAOYSA-N 398.427 -0.174 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCCNC(=O)c2ccccc2F)CCN1C1CC1 1329961201 IYZSJAGMTBESMX-AWEZNQCLSA-N 387.415 -0.130 30 20 GBED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1)C(C)C 1331559793 UOUFUYQXRSSQRA-BBWFWOEESA-N 392.500 -0.083 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCC(O[C@@H]3CCOC3)CC2)CCN1C1CC1 1332012672 LTTSTNSLBUXCFH-DOTOQJQBSA-N 376.457 -0.018 30 20 GBED C#CCN(C(=O)C(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1)C(C)C 1335121403 CAXQIXRPJOXQHY-INIZCTEOSA-N 380.489 -0.458 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCc2ccccc2[C@@H]1CO 1342098778 NYIFFTUPQKYJIX-HEWTWTGNSA-N 398.419 -0.253 30 20 GBED Cn1c(-c2ccnc3c(C#N)cnn23)nnc1N1CCN(S(C)(=O)=O)CC1 1343515166 HGUNVTHBUHNEIR-UHFFFAOYSA-N 387.429 -0.522 30 20 GBED C=CCn1c(C[S@](C)=O)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1356131493 SVYPNKQTWKJKAX-SANMLTNESA-N 382.490 -0.083 30 20 GBED CN1CCN(C(=O)CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 1558847358 JPYKAKSOGWHYQP-UHFFFAOYSA-N 378.454 -0.637 30 20 GBED C#Cc1cncc(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)CCO2)c1 1573291840 KJNRPEJWLGBZEI-CQSZACIVSA-N 391.395 -0.332 30 20 GBED C=CCCn1cc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[nH]n3)cn2)nn1 1573340922 CPEYFNVTPAYOGU-LBPRGKRZSA-N 384.404 -0.368 30 20 GBED C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](N)CC)[C@H]1CCS(=O)(=O)C1 1574674439 YUWAUDCTXNIJBQ-RDBSUJKOSA-N 394.501 -0.407 30 20 GBED C=C[C@](C)(CCOC)C(=O)N[C@H]1CCN(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575072959 MJCDIIVIZFEPNH-SCLBCKFNSA-N 392.460 -0.243 30 20 GBED C=CCn1cc(C(=O)N2CCC[C@H](NC(=O)[C@@H](C)OCc3cnn[nH]3)C2)nn1 1575112285 SKFRYKVBDCSECA-OLZOCXBDSA-N 388.432 -0.092 30 20 GBED CC#CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCCN3Cc3cnn[nH]3)CC2=O)C1 1575122860 MGJBPTHKJFSJLG-PBHICJAKSA-N 385.472 -0.806 30 20 GBED C[C@@H](NC1CCN(CCNC(=O)C#CC2CC2)CC1)C(=O)NCc1cnn[nH]1 1575669470 AGYCFLUUXYOCRD-CQSZACIVSA-N 387.488 -0.607 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC2(C[C@H](O)CNC2=O)C1 1581855822 NYMARMDKJCVFOY-KBPBESRZSA-N 381.396 -0.742 30 20 GBED N#Cc1cnc(N2CCO[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cn1 1581877999 RKUFTIVVLDXLDT-LBPRGKRZSA-N 380.372 -0.508 30 20 GBED N#Cc1nccc(N2C[C@H]3C(CNC(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@@H]3C2)n1 1581885328 WKZIWXDPBRVYRA-RYUDHWBXSA-N 376.384 -0.031 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@]1(C)CN(c2ccc(-c3nn[nH]n3)nn2)CCO1 1588505729 WHJDWCVVPXSVBV-DLBZAZTESA-N 388.432 -0.305 30 20 GBED C=CCN(C(=O)C(=O)NCCNc1ncccc1-c1nn[nH]n1)[C@@H](C)COC 1588625073 CSRRXIFFNHWKEH-LBPRGKRZSA-N 388.432 -0.161 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[nH]n1 1602756091 CHAUHLIKSWDLKG-JSGCOSHPSA-N 388.432 -0.378 30 20 GBED C[C@H](C(=O)OCC(=O)NCc1ccc(C#N)cc1)n1cnc(-c2nn[nH]n2)n1 1609071541 IHCNYVBYLTWAPE-SNVBAGLBSA-N 381.356 -0.250 30 20 GBED N#Cc1cc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cs1 1618484902 KNDCKXRMXTYLLD-CYBMUJFWSA-N 396.494 -0.319 30 20 GBED N#Cc1ccccc1NC(=O)CCN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 1652970963 OCLOFNIBZHDZMX-IRXDYDNUSA-N 392.481 -0.338 30 20 GBED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(N)=O)C1 1722543549 QSYOJOAUDJQPTH-VHSXEESVSA-N 376.870 -0.048 30 20 GBED CS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1750217614 NZELLGYZWAQNDD-CYBMUJFWSA-N 395.489 -0.092 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NC(C)=O)C[C@@H]21 1784477709 KNRJXKCEHAJUMU-HJWJTTGWSA-N 393.484 -0.081 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(C)C 1792608737 HQDSRTBSMPWIGI-XOGJXXCJSA-N 379.457 -0.141 30 20 GBED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C[C@H]2NC(=O)NC2=O)C1 1793938804 HESCKSGNHGYMRP-QVHKTLOISA-N 376.413 -0.860 30 20 GBED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795582008 LOHDFCHBZNYJSI-DABQJJPHSA-N 385.415 -0.373 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(C)=O 1797964277 PNCDAZOOLIZXML-USACIQFYSA-N 397.472 -0.682 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(C)=O 1800533324 PKOIUIZBWFCRRL-YMILTQATSA-N 381.473 -0.326 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)OC 1801203586 VDCQYIVMHVOHNB-QVHKTLOISA-N 383.445 -0.495 30 20 GBED C[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)n1ccnn1 1830061393 ATQXHGXDIYDMHT-KSSFIOAISA-N 390.444 -0.155 30 20 GBED COCC(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837561664 ZXPUIJOAAZFTKS-KDCXGNEQSA-N 379.413 -0.199 30 20 GBED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)ccn1 1837941745 QUMRWOXGOWKQIK-LJQANCHMSA-N 387.392 -0.452 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1840160032 UYQNFAQEYWBWGK-QMTHXVAHSA-N 376.504 -0.612 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)C1 1840227307 NPTURCHYUPYEID-MGPUTAFESA-N 391.468 -0.065 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1840840966 WLIMBEHLLPRASY-SFHVURJKSA-N 380.445 -0.873 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](O)NC(=O)OCC)C2 1844237514 VTQCLRPHURLSGA-STQMWFEESA-N 383.445 -0.173 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)c1 16558227 FXZUKWNWABBXHL-CYBMUJFWSA-N 381.410 -0.026 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCN2CCN(C(C)=O)CC2)cc1 45786832 BYGGQHBJOVNYFO-UHFFFAOYSA-N 392.481 -0.508 30 20 GBED CC/N=C(/NCC1(CO)CCOCC1)N1CCN(c2cnn(C)c2)C(=O)C1 261860854 YLHSISBPRMLSNR-UHFFFAOYSA-N 378.477 -0.177 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)[C@H]3CCOC3)CC2)cc1 265584564 YPDYQOUYVGQSGE-HNNXBMFYSA-N 385.467 -0.017 30 20 GBED O=S1(=O)CCCC[C@H]1CN/C(O)=N/CCS(=O)(=O)N1CCSCC1 329662838 POXOIZVGLIPQOP-LBPRGKRZSA-N 399.560 -0.164 30 20 GBED Cc1cc(C)n(CC(=O)N2CCN(C/C(O)=N/[C@@H]3CCS(=O)(=O)C3)CC2)n1 329753806 KHXXMTFAIURNEB-OAHLLOKOSA-N 397.501 -0.212 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(/C(O)=N/C[C@@H]3COCCO3)CC2)cn1C 330073257 KIEHYKYSSYTYNR-CYBMUJFWSA-N 387.462 -0.636 30 20 GBED N#Cc1ccc(N2CC[C@@H](N3CCN(CCS(N)(=O)=O)CC3)C2=O)cc1 331680437 STCUVYMRASXXJX-MRXNPFEDSA-N 377.470 -0.430 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CC[C@H]1O 349475658 XZFCSBDUTKESQS-VXGBXAGGSA-N 384.439 -0.474 30 20 GBED COC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(C#N)c(C)n2)C1 349502763 OXUMHGFIMGZASR-UHFFFAOYSA-N 388.471 0.054 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc(C#N)ccn2)C[C@H]1O 349528052 SQRQCOOSNXQGCZ-WCQYABFASA-N 388.471 -0.273 30 20 GBED N#Cc1cc2c(nc1NS(=O)(=O)CCCS(=O)(=O)NCCO)CCC2 349608566 XSUUFVQNRWSTRN-UHFFFAOYSA-N 388.471 -0.515 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CSC[C@H]1C(=O)NCC1CC1 409562541 MJQZMKWDHFLOPS-ZDUSSCGKSA-N 376.504 -0.006 30 20 GBED COc1ccc([C@@H](C#N)N2CCN(C(=O)c3cn(CC(N)=O)nn3)CC2)cc1 505735473 DVVXVNIKEJHGPZ-MRXNPFEDSA-N 383.412 -0.205 30 20 GBED C=CCn1c(COCC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 509002731 SMABRZXFCLOKGU-UHFFFAOYSA-N 390.448 -0.533 30 20 GBED N#Cc1cccc(F)c1CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 551967108 FKOLEJNZJNAFTR-CVEARBPZSA-N 381.429 -0.146 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCO[C@@H]3C3CC3)CC2)c1C#N 565627046 SKNAKMOVNVJDNI-JKSUJKDBSA-N 386.456 -0.068 30 20 GBED C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)CC#N)cc2)CC(=O)N1 566476075 SYVBAVLYUNNASI-NSHDSACASA-N 386.455 -0.660 30 20 GBED C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)S1(=O)=O 573500863 UZASKUZFVXNLQY-VXGBXAGGSA-N 385.467 -0.129 30 20 GBED CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 594622640 QOKZYNNSSWBAHY-UONOGXRCSA-N 389.455 -0.477 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCC(=O)N2)cc1 595951873 ULYCIVCNWIJWAW-QWRGUYRKSA-N 386.455 -0.566 30 20 GBED Cc1nc(S(=O)(=O)NCC(=O)NCCNc2ccc(C#N)cn2)cn1C 725883696 NCUBQXICXQGAJH-UHFFFAOYSA-N 377.430 -0.498 30 20 GBED N#C[C@H](C(=O)Cc1ccc2c(c1)OCCO2)C(=O)N1CCS(=O)(=O)CC1 732910650 SVXPDVGLAYZDBL-CYBMUJFWSA-N 378.406 -0.034 30 20 GBED C#CCNC(=O)C1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 747823948 XPSMMPUUCCMLAR-UHFFFAOYSA-N 378.454 -0.266 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)OC)CC1 772633434 AGXHVWKZWJQVIZ-LSDHHAIUSA-N 385.486 -0.585 30 20 GBED O=C1NC2(CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)CO1 784403084 BUQADQCNIFIGDY-UHFFFAOYSA-N 378.410 -0.174 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NCC)cc21 799286514 IAARXZDQFBZUIQ-AWEZNQCLSA-N 393.465 -0.236 30 20 GBED C[S@@](=O)CCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 804993192 KJFPOWONVTZGAN-IYJVBRSBSA-N 376.438 -0.335 30 20 GBED CCOC(=O)CON=C(C(=O)N1CC(n2nc(C)nc2C)C1)c1cc[nH]n1 848037840 QSCFKWRYHFUEEL-UHFFFAOYSA-N 375.389 -0.015 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CCC[C@]23CCOC3=O)CC1 848957184 GBBRXTOJOCCTPG-CQSZACIVSA-N 391.471 -0.537 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 862187064 CVPNWDTTYCEPQD-NSHDSACASA-N 387.396 -0.885 30 20 GBED C=CCCn1cc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]32)nn1 960444889 CWSKOUJRRPBPSE-PAPYEOQZSA-N 388.428 -0.973 30 20 GBED C[C@]12CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 992739313 GSHNOKOOKBSBEX-JLMZAJLHSA-N 385.424 -0.160 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cccc(C)c2=O)C1 1023711427 ZACBSVRSWZJGNB-VQHPVUNQSA-N 389.452 -0.174 30 20 GBED C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1CN=c1cc[nH]c(C#N)n1 1054578024 ZUZYGKVNFPLQFU-APIJFGDWSA-N 386.456 -0.088 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 1117180086 XGRCPTGPZWGRNN-UHFFFAOYSA-N 395.463 -0.278 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 1258255971 SBFGGDUQWVCLOL-UHFFFAOYSA-N 386.452 -0.405 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CC[C@H](NC(N)=O)C2)CCN1Cc1ccccc1 1331172767 CHOVBBVZQLQCGH-HOTGVXAUSA-N 384.440 -0.508 30 20 GBED CC(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1360000961 SUUPWXHSZJQGKX-KBPBESRZSA-N 398.489 -0.004 30 20 GBED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCOC1=O 1360248275 OULPQCKJEZLLLI-CYBMUJFWSA-N 391.432 -0.013 30 20 GBED COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCOC1 1555557092 NWGPTXVRMYITQV-DYVFJYSZSA-N 378.433 -0.253 30 20 GBED C#CCN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CCN([C@H](CC)C(N)=O)CC1 1573282237 HBROFJWXTHDSLH-OAHLLOKOSA-N 384.444 -0.002 30 20 GBED C#Cc1cncc(C(=O)N2CCO[C@H](CNc3nccnc3-c3nn[nH]n3)C2)c1 1573292702 ZVMGDSCMJBBELA-CQSZACIVSA-N 391.395 -0.014 30 20 GBED C#CCC1(C(=O)N2CC(NC(=O)CCOCc3cnn[nH]3)C2)CCOCC1 1574850762 UXYQYUATVAWIQN-UHFFFAOYSA-N 375.429 -0.142 30 20 GBED C#CCOCCC(=O)N1C[C@H]2CN([C@@H](C)C(=O)NCc3cnn[nH]3)C[C@@]2(C)C1 1575012616 DROPJBYYRXIZKV-KHYOSLBOSA-N 388.472 -0.370 30 20 GBED CC(C)C#CC(=O)N1CC2(CCCN(C(=O)CC(=O)NCc3cnn[nH]3)C2)C1 1575319076 YCJQLTIZLHHMCV-UHFFFAOYSA-N 386.456 -0.079 30 20 GBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c(-c2nn[nH]n2)cn1 1580974262 UVQWSEFVXCBGNG-UKRRQHHQSA-N 379.384 -0.251 30 20 GBED C=CCn1cc(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)nn3)C2)nn1 1588713252 ILDBLOHSWWGISI-NSHDSACASA-N 381.404 -0.167 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CS(=O)(=O)CCCC)C1 1757006864 UACDUJJLTADIEX-TUVASFSCSA-N 388.486 -0.520 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1778780967 KWHYVDYFXPXDPT-QWQRMKEZSA-N 399.444 -0.528 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779529257 YSBWOBQJCWORBT-HWPZZCPQSA-N 380.426 -0.063 30 20 GBED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)n1ccccc1=O 1783563802 AEHGKEDQRQCBII-KUHUBIRLSA-N 387.392 -0.673 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](NC)C(=O)O)C[C@@H]21 1784479489 DAJWPQRQSXADNB-CWVYHPPDSA-N 395.456 -0.933 30 20 GBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2 1785423745 AQJFDVYVHYDUCG-APWZRJJASA-N 394.424 -0.276 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(F)cn3)[C@H]2C1 1787035953 LFBKVEJSXWTLEB-RCBQFDQVSA-N 389.383 -0.169 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C\C(=O)NCC=C)C2 1793340750 HIWNMWXUOMDZAJ-ZMUHSLDUSA-N 389.452 -0.527 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOC1=O)C2 1793343525 YQMOTKQLVJIVAV-PNBKFKSVSA-N 393.440 -0.543 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cncnc1 1794163427 AARKKPXDIPIWCS-FBMORMATSA-N 399.451 -0.533 30 20 GBED CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1799681750 KRESJTLNFROFFH-FAXLKDOZSA-N 396.444 -0.277 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2ccnn2c1 1800028672 WKCGGLUZZPDPSK-ZSBFGKGUSA-N 382.376 -0.375 30 20 GBED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2 1800544120 KBJJPYFQAMPNQS-PTEHBNRSSA-N 380.413 -0.168 30 20 GBED Cc1ccn2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)cnc2c1 1800779448 FDBLGEXRXTWPSW-HBCWATKFSA-N 396.403 -0.066 30 20 GBED CS(=O)(=O)CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200741 QYPWMMMUZREZJK-LLVKDONJSA-N 382.398 -0.466 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837357448 DVPLRVOMVKBWRJ-WMLDXEAASA-N 398.485 -0.727 30 20 GBED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839645708 QEBMHKQBKKYPAG-RNTFSAEZSA-N 389.452 -0.104 30 20 GBED Cc1noc(N)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840159521 GQXJHQCKOBEPKF-BZNIZROVSA-N 384.458 -0.046 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)CCC1 1840814079 NEDWNLRCEVSZEN-KHYOSLBOSA-N 377.441 -0.092 30 20 GBED CN[C@H](CC(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2)C(=O)O 1842951402 KIOJCLYQOZIDKW-XLTHYULKSA-N 379.461 -0.276 30 20 GBED CS(=O)(=O)NCCCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 31219963 GNCHHLKJEZWYOP-UHFFFAOYSA-N 388.471 -0.452 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(CCCC(=O)NC(N)=O)CC1 65949471 KPAJRUNAGQCILT-UHFFFAOYSA-N 379.442 -0.160 30 20 GBED CCS(=O)(=O)NCCCNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 268235306 YTQHBZNRIGNYTR-CYBMUJFWSA-N 395.489 -0.102 30 20 GBED CO/N=C/c1ccc(C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1 276298257 VKYFJADCMMGGAI-VXLYETTFSA-N 386.412 -0.231 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCCN(C)S(=O)(=O)CC 284286931 UDCCDECNDXRKKQ-UONOGXRCSA-N 375.491 -0.128 30 20 GBED COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C#N)c(F)c1 292683213 RWIXLVBAEMHQDR-LBPRGKRZSA-N 376.387 -0.342 30 20 GBED COc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 293249000 RVLYZGAXRDCEIS-GFCCVEGCSA-N 380.426 -0.002 30 20 GBED C[C@H](/N=C(/O)Cn1c(=O)cnc2ccccc21)C(=O)N1CCS(=O)(=O)CC1 329298608 ULVPQDIDZVMBOA-LBPRGKRZSA-N 392.437 -0.002 30 20 GBED O=C1CCCN1[C@@H]1CCN(/C(O)=N/CCS(=O)(=O)N2CCSCC2)C1 330117780 XLWQJCLTBDICBI-CYBMUJFWSA-N 390.531 -0.024 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[S@](=O)[C@H](C)[C@H]1C 349463083 BHGCASHEWQLWMV-SIILZVROSA-N 385.533 -0.621 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(C)(C)[C@@H]2COC[C@@H]21 349464565 KHMHTHATMUXIIV-XQQFMLRXSA-N 379.504 -0.105 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@H](O)C(C)(C)C1 349471255 ZPZAGEJMSAXGSV-LBPRGKRZSA-N 381.520 -0.027 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)CC1 374222301 FLHFYCWSOHWEOP-CHWSQXEVSA-N 388.390 -0.273 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@](C)(C(=O)O)C1 422907292 WUUNWENVJJOOBB-SGTLLEGYSA-N 386.412 -0.291 30 20 GBED COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 437720239 NHACLBRQOKBPBB-KGLIPLIRSA-N 390.444 0.125 30 20 GBED N#Cc1ncn(CCNS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)n1 511358868 JPXJSHHVLQENMR-UHFFFAOYSA-N 384.805 -0.354 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCSC[C@@H]1C#N 539329372 GLBFLPRGFMFFDA-JQWIXIFHSA-N 382.467 -0.080 30 20 GBED CC(=O)NCCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)C#N)cc1 563820006 ATVQMRPYTSZWTM-NSHDSACASA-N 388.471 -0.366 30 20 GBED CC(C)NS(=O)(=O)NCCNCCS(=O)(=O)c1ccc(C#N)cn1 565769959 AAWPSTFIKOVDFG-UHFFFAOYSA-N 375.476 -0.851 30 20 GBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 592323331 NQSCHSXVRPISMS-VXGBXAGGSA-N 398.379 -0.540 30 20 GBED N#Cc1cccc(CN2CCC(NC(=O)C(=O)N3CCO[C@H](CN)C3)CC2)c1 593783231 WIWJGRWSGOFAPQ-GOSISDBHSA-N 385.468 -0.175 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734037926 RKEZZJCIZFVEGP-NWDGAFQWSA-N 393.421 -0.632 30 20 GBED C#CCNC(=O)C1CCN(S(=O)(=O)N2CCN(C(=O)OCC)CC2)CC1 747849873 GMTCHGOLKBFTGF-UHFFFAOYSA-N 386.474 -0.533 30 20 GBED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NS(=O)(=O)N1CCOCC1 750727778 DFKYZDZRPAQKRA-UHFFFAOYSA-N 392.441 -0.156 30 20 GBED CC(C)CNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 769777731 NEBREFSDRZMIKO-UHFFFAOYSA-N 396.425 -0.138 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](C)S(=O)(=O)[C@H](C)C2)c1=O 811794957 BNBNUAXFVALKPR-BETUJISGSA-N 384.458 -0.991 30 20 GBED C#CC[C@@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 816669740 AXHMHMMXKGYZFN-AWEZNQCLSA-N 382.438 -0.170 30 20 GBED C#CCNC(=O)CCNCCS(=O)(=O)N1CCN(c2ccccn2)CC1 818958088 JIFSCWRIBNAZSI-UHFFFAOYSA-N 379.486 -0.738 30 20 GBED C=CCNC(=O)CNC(=O)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O 823919580 KWQWTNTXOJZWQT-AWEZNQCLSA-N 398.427 -0.037 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@H](CC(=O)O)C3)CC2)o1 832994376 IRHFSCCQUNSMJN-CYBMUJFWSA-N 377.401 -0.321 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](O)COC)cc1 848941019 ACBHANMUCBNYGB-LBPRGKRZSA-N 391.471 -0.494 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 893293206 FLPGDVVQPZIHTN-NARNDRFESA-N 375.381 -0.263 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cnnn1 960004013 VTCMUUINSKNVBE-AYDFFVQHSA-N 376.417 -0.908 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 972411154 CFCVLFWMJVTQTJ-FPCVCCKLSA-N 389.456 -0.378 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cc(OC)no2)C[C@H]1O 1025710178 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GBED Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@@](O)(CC#N)C3)CC2)cn1 1326753535 VTILKOXVZOAXTI-INIZCTEOSA-N 396.473 -0.367 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N2CCOCC2)nc1 1340304975 QPENZPLRDRCWIY-UHFFFAOYSA-N 396.469 -0.749 30 20 GBED CS(=O)(=O)N1CCN(CC(=O)[C@H](C#N)c2nc(N)c3ccccc3n2)CC1 1343462791 KIIFNVFMIOONOB-ZDUSSCGKSA-N 388.453 -0.035 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCn3cncn3)CC2)c1C#N 1349047336 QCDXROLCZWKBTC-UHFFFAOYSA-N 385.432 -0.953 30 20 GBED C=CCn1c([C@H]2CC(=O)N(C)C2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1350529439 CHZKFGIBKFFXNJ-ZDUSSCGKSA-N 384.444 -0.004 30 20 GBED C#CCOCCC(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2cnn[nH]2)nc1 1575013783 UGJTWNDLJNZRLU-AWEZNQCLSA-N 386.412 -0.544 30 20 GBED C#CCN(C(=O)Cn1cncn1)C1CCN(c2ncccc2-c2nn[nH]n2)CC1 1588348420 VGXQVYHZSAQMKT-UHFFFAOYSA-N 392.427 -0.016 30 20 GBED C#CCNC(=O)[C@@H](C)N1CCC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1588353463 SZHITAJDZIXGQG-TZMCWYRMSA-N 384.444 -0.083 30 20 GBED C#CCOCCC(=O)NCC1(Nc2cnc(-c3nn[nH]n3)cn2)CCOCC1 1588361380 LFICIXBXIWPNLZ-UHFFFAOYSA-N 386.416 -0.226 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)OCC1(C#N)COC1 1589976994 XKDRCLWGPGFGJK-JTQLQIEISA-N 392.397 -0.383 30 20 GBED C=CCCOCC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1602844205 LRCWUPJMOQRAQB-GFCCVEGCSA-N 389.416 -0.255 30 20 GBED CN(C[C@@H]1CCCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1)S(C)(=O)=O 1604730367 WCQBKVYNNLKCFL-JTQLQIEISA-N 377.434 -0.364 30 20 GBED N#Cc1ccc(F)c(CS(=O)(=O)NCCn2cnc(-c3nn[nH]n3)n2)c1 1606369177 PNNMZOATQRKYPO-UHFFFAOYSA-N 377.365 -0.411 30 20 GBED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783563885 DMFXBNSZIXINFE-SCLBCKFNSA-N 387.396 -0.805 30 20 GBED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795358281 AVMIZEXECAMBAV-ZMJPVWNMSA-N 378.516 -0.425 30 20 GBED CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)ON=C(C)C)C2)C(=O)O 1795645598 NHAPEOYNOLCINJ-XYFZXANASA-N 398.460 -0.560 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(C)=O 1800541410 WASAFEHONHHUQK-JLVBRIDZSA-N 395.456 -0.388 30 20 GBED CC(C)(C)OC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800675436 WEFYZCVNGMCSPC-DRXBFXEBSA-N 395.412 -0.811 30 20 GBED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](O)N2CCOCC2)C3)CCC1 1804112251 VNJFFHQKOOOHLF-JYYAWHABSA-N 376.457 -0.031 30 20 GBED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)n1ccccc1=O 1837684889 XQSXCCSOZVTRLN-BEFAXECRSA-N 388.424 -0.221 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1840170712 VQKBNJSEVSDAIG-MAUKXSAKSA-N 390.444 -0.506 30 20 GBED C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)S(C)(=O)=O 107526694 ZPGYSBJBUPAWIV-GFCCVEGCSA-N 385.467 -0.176 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(c3nc(C)ns3)CC2)C1=O 266395115 WIWWXRHPCSIWOQ-UHFFFAOYSA-N 392.441 -0.138 30 20 GBED CN(C)c1ccc(/C(N)=N/OCC(=O)NCCCN(C)S(C)(=O)=O)cc1 268603817 HCOXGYVBRDMRCM-UHFFFAOYSA-N 385.490 -0.213 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)CCCC#N)CC2)cn1C 268774518 GIPKQMPJZYUDNS-UHFFFAOYSA-N 375.476 -0.332 30 20 GBED C[C@@H](O)C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 270833404 LWOMOVPGEMWHJE-CYBMUJFWSA-N 394.453 -0.456 30 20 GBED C[C@@H](O)C(=O)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 270899412 ZJRKQHJOZQDNMR-CYBMUJFWSA-N 379.438 -0.475 30 20 GBED C#CCOc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 274687295 LMLBGZPOAPNOSS-UHFFFAOYSA-N 398.419 -0.414 30 20 GBED C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 276348099 CZAVHHWYNSKCPP-CYBMUJFWSA-N 397.439 -0.153 30 20 GBED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N1CCc2ccc(C#N)cc21 277185667 VKDMGDQJMJJDHE-UHFFFAOYSA-N 379.442 -0.604 30 20 GBED COc1ccc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)cc1S(N)(=O)=O 289072377 NORZICMIODWPKF-UHFFFAOYSA-N 379.398 -0.776 30 20 GBED C[C@H]1CCS(=O)(=O)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 290455958 OZZHORPHLUIIKT-LBPRGKRZSA-N 385.467 -0.128 30 20 GBED COC[C@H]1CN(C(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)CCO1 297751389 JYBUYWMTULOWRC-CYBMUJFWSA-N 393.469 -0.154 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)NC)CC1 298405139 OWGFYYOBIVTKRR-UHFFFAOYSA-N 398.416 -0.615 30 20 GBED CNS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 298539279 XHAOHYDWMBRMNN-UHFFFAOYSA-N 385.833 -0.241 30 20 GBED CCOC(=O)c1c(NC(=O)N2CCO[C@H](C(N)=O)C2)c(C#N)cn1CCOC 364097483 BFUDCCWAOURTPA-LBPRGKRZSA-N 393.400 -0.099 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)CCO1 410133822 JSRLUVKTRPUYFS-OAHLLOKOSA-N 379.442 -0.623 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)OC)c2C)C1=O 440275102 YQDMAHOFEBWEEG-CYBMUJFWSA-N 377.401 -0.452 30 20 GBED CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CCO[C@H](C#N)C1)CC2 441855672 QACZRTNJVADARE-CYBMUJFWSA-N 392.437 -0.375 30 20 GBED CCOC(=O)[C@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 468784678 BFHMGCVTCQBKMT-MEDUHNTESA-N 383.426 -0.345 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCn2cc(CO)nn2)cc1 565747627 NVZNYBBASTWFGH-UHFFFAOYSA-N 378.414 -0.873 30 20 GBED C=CCSCCNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 572252066 IIUCVIUCHLFFMZ-HNNXBMFYSA-N 398.529 -0.587 30 20 GBED C#CCNC(=O)C1CCN([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 747817996 CNSGZNDTADVUBU-INIZCTEOSA-N 384.484 -0.025 30 20 GBED CCS(=O)(=O)NCCCOC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 753314547 XMVQMOANDLWBMB-UHFFFAOYSA-N 389.455 -0.291 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H]3CC[C@H]2[C@@H](C(=O)OC)C3)c1=O 840160458 JPNFJDAGHWEEOC-KKUMJFAQSA-N 390.440 -0.225 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)N=c1cc[nH]cc1)[C@@H]1CCCO1 848964906 ZEDPUDNIVWAWIG-GJZGRUSLSA-N 387.483 -0.265 30 20 GBED N#Cc1ccc(NCCNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)nc1 914860635 CZKZNWINXFRVKW-KBPBESRZSA-N 391.453 -0.483 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 982155627 IFGMMOHYPPFJPR-JJXSEGSLSA-N 378.473 -0.590 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2C(=O)CNC2=O)cn1 998953897 IHUAIEKWBWPUQK-ILXRZTDVSA-N 381.392 -0.524 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2ncn3C)C1 1025573001 IUPITUNXRVVGFJ-NGFQHRJXSA-N 385.424 -0.139 30 20 GBED C=CCn1cc(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1 1039752629 ABRZRPQLQLRSDZ-ONUSSAAZSA-N 375.429 -0.275 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 1085360555 MFPVBXPWYARSPT-MKSNKDDYSA-N 392.500 -0.057 30 20 GBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1218617726 LGDMPASQKYKEMK-MWDXBVQZSA-N 379.457 -0.816 30 20 GBED N#Cc1ncn(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1C#N 1254962287 FJLHLTVTMAERNI-OLZOCXBDSA-N 377.426 -0.179 30 20 GBED CC(C)N(C)C(=O)C1CCN(C(=O)CN(CC#N)S(=O)(=O)N(C)C)CC1 1323916261 HRJUORDVGLJLQT-UHFFFAOYSA-N 387.506 -0.276 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)nn1 1326718372 IWINBCVTSAKMIK-UHFFFAOYSA-N 377.449 -0.267 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1 1328269686 CWPLEPYRKADMEC-DLBZAZTESA-N 382.486 -0.812 30 20 GBED C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1335490727 KZJMMNVMHNIUCN-CRAIPNDOSA-N 389.500 -0.103 30 20 GBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1O 1573337008 SPAPSYYZXNOCRY-HONMWMINSA-N 389.416 -0.523 30 20 GBED C[C@H](C#N)C(=O)N1CCC(N(CCO)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1573563699 CHXYGSITUCPDIW-LLVKDONJSA-N 386.416 -0.220 30 20 GBED C=CCn1cc(C(=O)NC[C@H]2CCCN2[C@H](C)C(=O)NCc2cnn[nH]2)nn1 1575111643 IMWIYCOFAVHHRK-TZMCWYRMSA-N 387.448 -0.519 30 20 GBED C#CCNC(=O)[C@@H](C)NC[C@@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588353424 ROMYSPWRXRHNOO-OCCSQVGLSA-N 384.444 -0.083 30 20 GBED C#CCOCCC(=O)N1CCO[C@H]([C@@H](C)N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1588359409 NQDGLLYABZERNS-OLZOCXBDSA-N 386.416 -0.854 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)CCO2)cn1 1588371372 FGUPNYRJHUQQRT-CQSZACIVSA-N 391.395 -0.332 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[nH]n4)n3)C[C@@H]2O)c1 1588380354 CEOCVHWDLWJHJM-HIFRSBDPSA-N 391.395 -0.597 30 20 GBED CC(C)(CC#N)CNC(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1589264639 YRQJDCILTLDIAN-UHFFFAOYSA-N 397.443 -0.034 30 20 GBED N#CC1(C(=O)O)CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 1601049693 UNCCZFHIOXVQFY-NSHDSACASA-N 396.425 -0.631 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[nH]n2)C1 1602756754 XKHAXERFGQMTSN-OLZOCXBDSA-N 385.432 -0.178 30 20 GBED N#Cc1ncn(CCNC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)n1 1680972911 IZBULEBSZOXMES-HNNXBMFYSA-N 376.465 -0.754 30 20 GBED CC(C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1741690378 QIODZJFWISASSD-OLZOCXBDSA-N 375.433 -0.127 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1 1781320502 JYQIDROEMWQQEP-SFHVURJKSA-N 384.429 -0.665 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)CC 1793314092 FMRQMSNPVJQVHD-HGTKMLMNSA-N 386.470 -0.951 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)NCC(C)C)C2 1793355556 KSCPFJXLWKEAST-LVQVYYBASA-N 381.473 -0.061 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCC(CO)CC1 1793853648 ABIJOBIQERENQA-XWBAMICWSA-N 378.425 -0.537 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccn1C 1794872703 ADKUWDQDVCMMHR-ZXVJPIRHSA-N 387.440 -0.518 30 20 GBED CN1CCN(C2(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC#N)CC2)CC1 1795419872 IDQGXPGGDISFLT-ALXJQNPVSA-N 389.500 -0.340 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC)C(=O)O 1795641190 JACHGLHMPBVESC-HAFSJTIUSA-N 383.445 -0.770 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNCP(=O)(O)O 1795963161 ZSVGKKIWNIVZBR-YIYPIFLZSA-N 387.373 -0.612 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCNC1=N 1796025525 VVQWZYCQGJOHIG-QDMKHBRRSA-N 391.472 -0.026 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2nc(N)n[nH]2)c1 1797625263 AWYCXHVFOVHQAI-DRXBFXEBSA-N 398.427 -0.577 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(C)=O 1800540837 VQWKAAAZQDDAGQ-IVSAIRAKSA-N 381.473 -0.325 30 20 GBED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1831210053 XMFSFJCMTMABPS-FQEVSTJZSA-N 385.420 -0.197 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1831420297 VYRLRKVKTMOKGI-RDTXWAMCSA-N 393.444 -0.524 30 20 GBED CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831481643 AXCONNGNAGGCRY-NVXWUHKLSA-N 387.502 -0.467 30 20 GBED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)CN)CC2)CC1 1834715244 KSCMHZLMEHBOGM-UHFFFAOYSA-N 378.521 -0.201 30 20 GBED CN(C)C(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835339977 XXALBGLDJQIQKF-GOSISDBHSA-N 393.444 -0.982 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838825591 FXOVWLKZZDEKOP-INIZCTEOSA-N 377.357 -0.093 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccc(OC)c1OC)CCO2 1838841944 XBWROPNMZGOYPQ-LJQANCHMSA-N 389.408 -0.198 30 20 GBED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C1(O)CCC1 1840039769 ABQNQSDLHBKNSB-KSSFIOAISA-N 394.424 -0.918 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1840158348 JPOHYXHOTDNNGZ-SCLBCKFNSA-N 395.481 -0.226 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1840162110 MKIKFFLWSYNGNR-MEDUHNTESA-N 382.442 -0.842 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cccnc2C(N)=O)C1 1842155220 KGIHHMODJLPETN-SREVYHEPSA-N 397.435 -0.144 30 20 GBED CCCCN(C(=O)Cn1c(=O)c(C#N)cn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 28190164 GPRKOFDVPLHZLF-CQSZACIVSA-N 396.469 -0.283 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCN(c2cnccn2)CC1)c1cc[nH]n1 276672526 ZMDDLLAEZDUXMT-CJLVFECKSA-N 387.400 -0.168 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCNC(=O)C3)CC2)c(Cl)c1 297761274 GRWALCPALIDCMK-UHFFFAOYSA-N 375.816 -0.181 30 20 GBED C[C@H](O)CN1CCN(/C(O)=N/CCS(=O)(=O)N2CCSCC2)CC1 329463514 UJTONXXNYJPILG-ZDUSSCGKSA-N 380.536 -0.723 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCNC(=O)C1 349475310 XFMGACWSCRQKTD-NSHDSACASA-N 386.455 -0.612 30 20 GBED Cn1cc(N2CC[C@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)cn1 370909929 FAWFISOSVNHABV-LBPRGKRZSA-N 388.453 -0.146 30 20 GBED C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)N1CCO[C@H](C#N)C1 410153843 GJTLYIYIFZPWHD-WCQYABFASA-N 388.471 -0.204 30 20 GBED CCN1CCN(C(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@H](C)C1=O 410717590 VEWYOIWEXLYDSR-CQSZACIVSA-N 384.440 -0.319 30 20 GBED C=CCn1cc(CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)nn1 425179279 PGTAKAWXSQGTCD-UHFFFAOYSA-N 385.471 -0.138 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H](CO)[C@H]3CCCO3)n2)c(F)c1 448382684 HFIZTRQJFZLCMT-DZGCQCFKSA-N 387.371 0.478 30 20 GBED C=CCOCCCC(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 463691711 YXQDBOFXTIOOLB-HNNXBMFYSA-N 387.502 -0.583 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C(C)(C)C#N)c1)C(N)=O 515312050 DPXRYWPWZDVFQD-JTQLQIEISA-N 388.471 -0.239 30 20 GBED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2cccs2)c(=O)n1CC(N)=O 548618488 LFGNWRAMLIMCAV-JTQLQIEISA-N 389.458 -0.435 30 20 GBED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N(C)C)CC1 548939413 DNPHNTSHBQEACG-LBPRGKRZSA-N 385.494 -0.122 30 20 GBED N#CCNC(=O)CNC(=O)CNS(=O)(=O)c1cccc(Br)c1 555099954 JPKYCLXMIOCYDV-UHFFFAOYSA-N 389.231 -0.517 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)Cc2nc[nH]n2)cc1 566746981 CHKWPSWTQCPBQE-JTQLQIEISA-N 384.443 -0.184 30 20 GBED COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 592323328 NQSCHSXVRPISMS-NWDGAFQWSA-N 398.379 -0.540 30 20 GBED CN(C)C1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncc(C#N)s2)C1 594638771 DHQWVRROIBPPEJ-UHFFFAOYSA-N 393.516 -0.278 30 20 GBED COc1cc([C@H](C#N)NC(=O)CNS(=O)(=O)N(C)C)cc(OC)c1OC 597038760 FRJFDXXMIGNIQF-NSHDSACASA-N 386.430 -0.211 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 658915406 GQVRTBTXBSLGNP-GFCCVEGCSA-N 383.426 -0.691 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1 728531972 VOTGCCPTTUGMSQ-MRXNPFEDSA-N 383.452 -0.676 30 20 GBED C#CCNC(=O)CN1CCN(Cc2nc(O)c3ccc(C(=O)OC)cc3n2)CC1 728573337 MZZQGALBERMPDQ-UHFFFAOYSA-N 397.435 -0.011 30 20 GBED N#C[C@H]1CN(CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)CCO1 737679014 NOHXFXMPFUVYFK-ZDUSSCGKSA-N 382.384 -0.187 30 20 GBED CNC(=O)NC(=O)[C@H](C)OC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745496628 NYXVYMMDLIUTGS-ZJUUUORDSA-N 396.425 -0.109 30 20 GBED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCCN1CCCS1(=O)=O 773126788 PWAILBXWJLDOFN-UHFFFAOYSA-N 387.439 -0.585 30 20 GBED CCOC(=O)[C@H](CO)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 782761311 SNQQGWJOSGYNBW-PWSUYJOCSA-N 383.426 -0.456 30 20 GBED C[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 783398206 ZCZWADPWNDHODZ-RISCZKNCSA-N 393.421 -0.477 30 20 GBED C#C[C@H](NC(=O)C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1)[C@@H]1CCCO1 785524624 PGMBXCIUXWSHFV-CQDKDKBSSA-N 379.438 -0.192 30 20 GBED C#CCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 791948760 CKRADRFINWEEBS-UHFFFAOYSA-N 383.426 -0.015 30 20 GBED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@H]2CCCN(O)C2=O)c1 816757144 MLYOSDGAWTZDNS-ZDUSSCGKSA-N 398.441 -0.837 30 20 GBED C#CCN1CCN(C(=O)CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)CC1 852336616 OIJPDOZVEFKZIE-KDURUIRLSA-N 394.475 -0.119 30 20 GBED CC#CCN1CCN(S(=O)(=O)C2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 961063484 HVWSMFDAHBDWAN-OIISXLGYSA-N 381.498 -0.265 30 20 GBED N#Cc1cncc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@@H]2Cc3cncn3C(=O)N2)n1 1055261057 MDBNAOKKZFYCIL-UNQGMJICSA-N 378.396 -0.047 30 20 GBED C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1CCNCC(=O)NCC#N 1104442983 WISURDRNSAGNJK-KCYAQADSSA-N 378.473 -0.248 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CO[C@@H]1CCOC1 1109275312 ZAMHVKXLSRXZIF-KBXIAJHMSA-N 380.445 -0.475 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@]1(C)CCNC1=O 1111016301 DILLMTPDZXMDES-CUYVQJCZSA-N 375.473 -0.004 30 20 GBED CNC(=O)[C@H](C)CN(C)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 1116715096 BEHRTZUGCGBXJZ-GFCCVEGCSA-N 383.412 -0.023 30 20 GBED C=C(C)CN(CC)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1219866956 GFTXOHWYVCNYDM-WCXIOVBPSA-N 382.505 -0.709 30 20 GBED N#Cc1ccc(NCC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)nc1 1293547292 XARKXGDBLLLCPW-AWEZNQCLSA-N 381.458 -0.030 30 20 GBED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 1320283605 BCORXLKKYFVWCE-CQSZACIVSA-N 392.460 -0.080 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 1323345449 WIYKAGNEJXGFJI-SECBINFHSA-N 387.380 -0.266 30 20 GBED COC(=O)N1CCN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 1325165397 JHICGMKMDFUOFQ-CQSZACIVSA-N 387.396 -0.156 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@H]2CCOC[C@@H]2OCCOC)n1 1325213596 MGSUTIBOQRVWLG-IRXDYDNUSA-N 392.456 -0.199 30 20 GBED O=S1(=O)CC[C@@H](NN=Cc2ccc(C=NN[C@@H]3CCS(=O)(=O)C3)cc2)C1 1328384999 VQKNCUCPJCEVAG-HZPDHXFCSA-N 398.510 -0.092 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NCC2(S(C)(=O)=O)CCC2)n1 1330224726 NTVWZTXMGFCKNJ-UHFFFAOYSA-N 380.470 -0.052 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 1337664313 HYCXGEPOBURMFY-ZDUSSCGKSA-N 394.453 -0.175 30 20 GBED CS(=O)(=O)N1CCCN(C(=O)C(=O)NCCc2ccc(C#N)cc2)CC1 1346891895 VGBPYGUPINALKG-UHFFFAOYSA-N 378.454 -0.289 30 20 GBED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(C)(=O)=O 1359467798 ZAHWHZIWDXVZLQ-GHMZBOCLSA-N 392.507 -0.471 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H](O)[C@H](CO)C3)CC2)cc1 1570214371 OKKGAVDXEBXGFB-DOTOQJQBSA-N 393.465 -0.229 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)NCc1ccc(F)c(-c2nn[nH]n2)c1 1573286618 GHWPWZQCMLGZBE-YPMHNXCESA-N 376.392 -0.389 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@@H]1O 1573295748 UCYNCFNBKJEZGF-OPDFLTKYSA-N 386.416 -0.696 30 20 GBED C=CCOCC(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[nH]n3)s2)C[C@H]1O 1573343280 MGLKSYMREWZEDZ-HTQZYQBOSA-N 385.837 -0.155 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)O)c2ccn(C)n2)cc1 1588486311 SEEUMPAUYFJJRS-AWEZNQCLSA-N 376.394 -0.113 30 20 GBED N#CCSCC(=O)NC1(CCO)CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1592679550 UQTLHLTYZLJLBN-UHFFFAOYSA-N 390.429 -0.855 30 20 GBED C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 1602882598 PCFWLICFFFPGLC-JTQLQIEISA-N 382.388 -0.383 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1cnn(-c2ncccc2-c2nn[nH]n2)c1 1609021573 JSJFTZPMFCOXPJ-UHFFFAOYSA-N 381.356 -0.848 30 20 GBED C[C@H](CC(=O)NCCN1CCNC1=O)/N=C1/NS(=O)(=O)c2ccccc21 1644863836 UZTPMPKSVZHPSG-LLVKDONJSA-N 379.442 -0.355 30 20 GBED CC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779021872 ZUDMWRFXRUWCEK-TYJAPOHBSA-N 379.461 -0.576 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]21 1784480986 BURJIPYVTFHYAZ-QEOTZNIISA-N 391.468 -0.469 30 20 GBED C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)S)C[C@@H]21 1784524876 UDNHQEJKDMYMEN-DGTMBMJNSA-N 392.543 -0.035 30 20 GBED C[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788660991 TWNCHPSXYMNATQ-NRZRLURGSA-N 383.445 -0.124 30 20 GBED Cn1cc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cn1 1791076140 SIZVNCGMJFMLPE-JYJNAYRXSA-N 388.424 -0.580 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N(C)CC)C2 1792490962 VUGOYIMIAWUVMS-POKMRBBBSA-N 392.500 -0.225 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1cnc[nH]1 1801236691 MHYVIUXYSKBHSP-GCEZFOGJSA-N 399.451 -0.129 30 20 GBED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2c[nH]c(=O)cn2)[nH]n1 1822200517 IAEZLRCCDOCJBA-GFCCVEGCSA-N 384.352 -0.113 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CNC(=O)O1)CC2 1825661652 ZCCYBILEYHKBBT-APPZFPTMSA-N 378.366 -0.749 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830584103 DFJWUTCRGFKCNV-QMOQVAMLSA-N 396.484 -0.213 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837357446 DVPLRVOMVKBWRJ-RHSMWYFYSA-N 398.485 -0.727 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840174331 XEPMCBRYFUEYEO-INIZCTEOSA-N 379.373 -0.036 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)COc2cccnn2)C1 1846591465 FLIRTUZGUAXAFL-SREVYHEPSA-N 385.424 -0.083 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)n1 271882301 SXIGLXFUBKZBHG-GFCCVEGCSA-N 396.473 -0.012 30 20 GBED C=CCNC(=O)CNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 271977981 LNKWKQKIAHRBKF-UHFFFAOYSA-N 397.453 -0.065 30 20 GBED CN(CCCNC(=O)CO/N=C(\N)COc1ccccc1F)S(C)(=O)=O 275523889 PBDSMFUKCNMGME-UHFFFAOYSA-N 390.437 -0.109 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1=O 279237113 PUFNDCZGXUHONC-UHFFFAOYSA-N 382.380 -0.421 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)C1=O 299540747 VKWDOSWIAJUGSO-BETUJISGSA-N 380.445 -0.033 30 20 GBED CCNS(=O)(=O)[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 330637268 GAEDNEPKRBNSBP-HOTGVXAUSA-N 385.534 -0.308 30 20 GBED CC1(C)[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N 349466583 QORXJRGHTKBFEW-GFCCVEGCSA-N 378.476 -0.770 30 20 GBED C[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 349466753 REXMYENTWPYQSJ-CMPLNLGQSA-N 391.475 -0.792 30 20 GBED C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 349481247 ODZDQLGOZSLXFN-ZSDNHXBWSA-N 397.544 -0.477 30 20 GBED CN1CC[C@]2(CCN(S(=O)(=O)CCCS(=O)(=O)NC3(C#N)CC3)C2)C1 349496917 HZEIMSFGPUDKOH-AWEZNQCLSA-N 390.531 -0.291 30 20 GBED C[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2ccc(C#N)cn2)CO1 349581653 WCLBQTMEMNZFEO-AAEUAGOBSA-N 388.471 0.182 30 20 GBED CCS(=O)(=O)C1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 456289903 MBQPUTVGULOBFX-NSHDSACASA-N 385.467 -0.129 30 20 GBED COCCN(C)CCCNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460607242 MLOGNOZADMIAMO-UHFFFAOYSA-N 399.455 0.470 30 20 GBED COc1ccc(CCNC(=O)CN(CC#N)S(=O)(=O)N(C)C)cc1OC 550841359 SVRADFGASGVTCI-UHFFFAOYSA-N 384.458 -0.006 30 20 GBED N#Cc1cccc(F)c1CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 551967111 FKOLEJNZJNAFTR-HZPDHXFCSA-N 381.429 -0.146 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CN(CC(C)C)CCO2)C1=O 555731074 WAYKKQWCBYVRSJ-JKSUJKDBSA-N 380.489 -0.295 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCCCNC1=O 564102962 WKZBJIPONMRMDC-LLVKDONJSA-N 386.455 -0.565 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC(CC#N)C2)ncc1C#N 595963675 CQQHAFSDDUHHAI-UHFFFAOYSA-N 397.482 0.569 30 20 GBED N#CCN1CCC(NC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 609547055 OKIRKKZKMLHBPA-OAHLLOKOSA-N 387.506 -0.238 30 20 GBED C=CCN(C(=O)CNS(=O)(=O)c1ccccc1N)[C@@H]1CCS(=O)(=O)C1 666927589 SYWKRTMKBWOBTB-GFCCVEGCSA-N 387.483 -0.251 30 20 GBED Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)N(C)C(C)(C)C#N)cn1C 726642888 LRDQLQBEKMYPTL-UHFFFAOYSA-N 385.446 -0.299 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 728571150 WPVZCMXSSOJTNN-UHFFFAOYSA-N 385.424 -0.149 30 20 GBED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CC(N)=O 732564948 ULKQXGCWHNKXSN-NSHDSACASA-N 387.465 -0.270 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@@H]2CCOc3ccccc32)CC1 761031175 OVBLFBVVMHXURJ-MRXNPFEDSA-N 392.481 -0.288 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cnc3onc(CC)c3c2)CC1 762533480 CTXGAJZCWHYTNS-UHFFFAOYSA-N 391.453 -0.159 30 20 GBED C[C@@H]1CCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](n2cncn2)C1 794524093 VKLZGWUOYVBQSF-PWSUYJOCSA-N 395.445 -0.629 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 799287403 UFSLVXAZXRBXCX-HNNXBMFYSA-N 386.452 -0.097 30 20 GBED O=C(N[C@@H]1CCCN(O)C1=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 816754511 GKCQGMBMJKBCNJ-CQSZACIVSA-N 382.442 -0.021 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCNC(=O)[C@H]1CC(=O)O 827760305 IYKGFKBKPCTYEB-GXFFZTMASA-N 394.409 -0.973 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)CC1 831556451 NPWNXJUMFMXVHE-DOMZBBRYSA-N 386.499 -0.948 30 20 GBED C=CCOC[C@H](NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)C(=O)O 836751180 PPUCFQZGSSXTRQ-LBPRGKRZSA-N 381.410 -0.161 30 20 GBED C[C@@H]1C[C@H](C(=O)N[C@H]2CCCN(O)C2=O)[C@@H](C(=O)N[C@@H]2CCCN(O)C2=O)C1 848134233 PUXZXSGXQLIDFB-YHQUGGNUSA-N 396.444 -0.359 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC[C@H](C)O)cc1 848930357 RIAFCERKWUKVBF-ZDUSSCGKSA-N 385.467 -0.117 30 20 GBED COC(=O)CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(C)OC)cc1 848943290 RWUSAGSABWERCD-UHFFFAOYSA-N 391.427 -0.444 30 20 GBED N#CC1(NS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCNC(=O)C2)CC1 848956432 UMLKWHVLHQQNJK-UHFFFAOYSA-N 398.466 -0.468 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@H](C1)C2(F)F 848959475 IZSRMWSINIYIBO-TXEJJXNPSA-N 381.426 -0.308 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CCc2ccccc2F)CC1 872514810 ADPABBLIPPTUQC-UHFFFAOYSA-N 389.474 -0.217 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc3[nH]nnc3c2)C[C@@H]1O 964615021 BSNHMFMUBCWTOM-RZFFKMDDSA-N 386.412 -0.364 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cnn[nH]2)[C@H](c2cncn2C)C1 993634814 JRIZGSAWKIYVSP-NCZKRNLISA-N 385.428 -0.146 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 1022051273 BFVUCCSWAJHEQD-MPTYRVRUSA-N 389.456 -0.378 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@@H]1n1ccnn1 1069929943 UYSBJZRMJUTQQB-NCOADZHNSA-N 386.460 -0.071 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)Nc2nncs2)C[C@H]1O 1077018769 AINBTQQVMPHZEM-LPWJVIDDSA-N 381.458 -0.381 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@]1(C)CCNC1=O 1111016794 UVILNRLIGMGDLD-ZIVKBKJYSA-N 377.445 -0.754 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@]2(CCN(C)C2)C1 1117967590 ABYKAHNKAWWAEL-QRWLVFNGSA-N 397.483 -0.060 30 20 GBED CCNC(=O)COc1cccc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)c1 1118210469 JVNOEERDUJGRBZ-IBGZPJMESA-N 388.424 -0.305 30 20 GBED Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCCNc3ncccc3C#N)C2)cn1 1257059290 GZMMCWUHAZFCEB-CQSZACIVSA-N 382.428 -0.390 30 20 GBED Cn1ccc(N2CCC[C@H](NC(=O)CCN/C(O)=C3\N=CC=CC3=O)C2=O)n1 1318993971 NJVSBETZQFEXIL-ZFHSLQLHSA-N 386.412 -0.052 30 20 GBED C#CCCCNC(=O)C(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 1323660040 SYZCBXQOTHVANJ-UHFFFAOYSA-N 392.481 -0.227 30 20 GBED CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCO1 1329275100 YLPRRLGHOUEIOE-GJZGRUSLSA-N 392.456 -0.246 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(OC[C@H]2CCCO2)CC1 1332475474 DOLUQUKSGHUNPA-OAHLLOKOSA-N 388.486 -0.110 30 20 GBED C#CC[C@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1)c1ccccc1 1342006824 MAJUKRLMICBMDB-INIZCTEOSA-N 393.465 -0.355 30 20 GBED C=CCn1c(C[C@@H]2CCNC(=O)C2)nnc1N1CCN(C(=O)COC)CC1 1342207215 FFONNAPYRLUMAO-AWEZNQCLSA-N 376.461 -0.172 30 20 GBED C#Cc1cncc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 1342382810 MXZMIDPNGJYIAX-INIZCTEOSA-N 390.465 -0.876 30 20 GBED C#CCN1CCC(c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CC)CC1 1356396047 JGMIJZONDSOUAC-HNNXBMFYSA-N 385.472 -0.742 30 20 GBED COC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)OC 1518715021 QGZHQNRMWXOOLR-UONOGXRCSA-N 378.433 -0.096 30 20 GBED C[C@H](C#N)C(=O)N1CCC[C@H](N(CCO)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573567745 RTDOORWLBBHFDX-YPMHNXCESA-N 386.416 -0.220 30 20 GBED N#CCN(Cc1cnn[nH]1)C(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1577706820 VQNGUHNPSAZCMG-CQSZACIVSA-N 387.375 -0.601 30 20 GBED N#CCSCC(=O)N1CCC[C@H]2CN(CC(=O)NCc3cnn[nH]3)C[C@H]21 1577709828 FJFQUQCLHVEPIV-GXTWGEPZSA-N 377.474 -0.400 30 20 GBED C#CCN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CCN(C[C@@H](O)COC)CC1 1588348535 ALAGCQRPFWEUCI-OAHLLOKOSA-N 387.444 -0.258 30 20 GBED C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O 1588496259 OJRDJMDTFTZDCH-QFSBIZTOSA-N 388.432 -0.449 30 20 GBED O=C(CC#Cc1ccccc1)NC[C@H](O)CNc1nccnc1-c1nn[nH]n1 1592802816 ICQCXKWEHVMDJQ-AWEZNQCLSA-N 378.396 -0.013 30 20 GBED CNC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)O)CCO1 1598653025 IXPDLJUKAHXPTB-NSHDSACASA-N 382.398 -0.425 30 20 GBED COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCN(C)C[C@@H](C(=O)O)C1 1598918180 SICLJXYRRGVTGT-GFCCVEGCSA-N 381.410 -0.018 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O 1602721244 BPMBOLBGHHZEHH-FGTMMUONSA-N 395.467 -0.374 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nc3)C[C@H]2O)nc1 1602739406 IPHYOBBQXMUTPZ-HZPDHXFCSA-N 376.380 -0.383 30 20 GBED N#CC[C@@]1(O)CCN(c2ccc(-c3nn[nH]n3)c(N3CC[C@@](O)(CC#N)C3)n2)C1 1609494786 NEEFNAVBKOMDAR-MSOLQXFVSA-N 395.427 -0.029 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1781264282 SBPPBSDBCOFGQK-UGSOOPFHSA-N 395.412 -0.566 30 20 GBED COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1788771480 SCCREHPFPHGLNB-JONQDZQNSA-N 394.472 -0.333 30 20 GBED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)ccn1 1788909018 MCBTWVAZFPOYDN-KKUMJFAQSA-N 387.392 -0.229 30 20 GBED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1792172447 IAQFSFDJVOTORT-NBOOPKSLSA-N 379.457 -0.970 30 20 GBED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2 1793566676 VTFFSEZGNPTLAD-FVCCEPFGSA-N 399.411 -0.897 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccn1 1795866334 SUDDPBOYVXUNBI-KQLJBOCNSA-N 387.440 -0.669 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n[nH]1)C2 1797708391 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GBED COCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1835230330 GSUITCCUWRSDDZ-CVNFFVDQSA-N 396.488 -0.049 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835516649 QWSDXFNPZHFBQJ-QMTHXVAHSA-N 376.504 -0.612 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)no1)CCO2 1838101934 OENQIQBZWBSSFI-SFHVURJKSA-N 375.381 -0.136 30 20 GBED CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840161140 FLKITSVKCAHOLL-RMKYTRAYSA-N 392.543 -0.080 30 20 GBED Cn1c(=O)c2c(ncn2CCSc2nc(N)c(C#N)cc2C#N)n(C)c1=O 60583087 MQNIDEPPYIZGSR-UHFFFAOYSA-N 382.409 -0.053 30 20 GBED CC/N=C(/NCCN1CCN(C(C)=O)CC1)N1CCO[C@H](c2cnn(C)c2)C1 261690442 FCEQFYSXKRNZFI-SFHVURJKSA-N 391.520 -0.077 30 20 GBED C/N=C(/NCCN1CCOC[C@@H]1C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 261856302 YRKQIJSJELVCIC-UGSOOPFHSA-N 380.493 -0.407 30 20 GBED N#Cc1cc(F)c(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)O)c(F)c1 275059778 YOSJOWUPRQDOFC-LBPRGKRZSA-N 375.353 -0.100 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 281211479 CKGSEWCROXITIQ-MRXNPFEDSA-N 376.394 -0.103 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCN2CCCO[C@@H](C)C2)C1=O 288024099 CHRAWIWAJBQYKZ-HOTGVXAUSA-N 380.489 -0.151 30 20 GBED CN1CCN(C(=O)CC/N=C(/O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 329235616 ITPUYRWUMSWDDS-NSHDSACASA-N 379.383 -0.183 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 330069442 HFSTXAMUVCSWOY-RCBQFDQVSA-N 378.454 -0.234 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](N2CC=CC2)C1 349474230 JJCHKJHDTQFJAV-KBPBESRZSA-N 376.504 -0.516 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 349480487 XVYMHRPEYRBIAL-KJWHEZOQSA-N 391.515 -0.011 30 20 GBED N#CC1(CNS(=O)(=O)CCCS(=O)(=O)Nc2nc3ccccn3n2)CC1 349576032 PEAADPYOSORUIU-UHFFFAOYSA-N 398.470 0.084 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCCS(=O)(=O)N2CC[C@@H](O)C2)nc1 349593767 SZUVGPDETKGFLM-CYBMUJFWSA-N 388.471 -0.128 30 20 GBED CN(C[C@H](O)CO)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 368117256 FRHJEVDJOOXKAM-HNNXBMFYSA-N 381.454 -0.229 30 20 GBED CC(C)N(C[C@@H](O)CO)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 421306015 NJRARSXCULURSW-GFCCVEGCSA-N 389.387 0.412 30 20 GBED N#CCCCCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 553270878 XJIVINLKUJVLEC-AWEZNQCLSA-N 386.474 -0.551 30 20 GBED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CC(N)=O 560427302 LFYLRTDJQXAMIH-SNVBAGLBSA-N 387.465 -0.445 30 20 GBED CO[C@@H]1COC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 562680918 PKMAUZGAZMIJPG-LSDHHAIUSA-N 394.453 -0.012 30 20 GBED CO[C@]1(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)CCOC1 563428782 HQMDVGMEDJPWKM-AWEZNQCLSA-N 389.455 -0.428 30 20 GBED CN1CCN(C(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1=O 590979253 JCOHZYWKZCIXHZ-UHFFFAOYSA-N 386.412 -0.627 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 592318226 AYZHCYNBDSYLFN-ZDUSSCGKSA-N 385.380 -0.117 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(CCC(=O)N(C)C)CC2)C1=O 597021761 LXYAGJHZPIKQPA-UHFFFAOYSA-N 393.444 -0.978 30 20 GBED C#CCN1CCN(CN2C(=O)N[C@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)CC1 735380303 FPDKRPSKLHVCGC-LJQANCHMSA-N 394.439 -0.158 30 20 GBED N#Cc1c(F)cccc1S(=O)(=O)N1CCN(C(=O)CN2CCOCC2)CC1 742272463 CTQJZRKQPFVWBO-UHFFFAOYSA-N 396.444 -0.138 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 747737782 IVCAHHMTISZGFY-UHFFFAOYSA-N 376.438 -0.528 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)CC1 760864728 YDYPIPJXSIGDNL-UHFFFAOYSA-N 382.424 -0.922 30 20 GBED C#C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@@H]1CCCO1 775325641 CPORMNCJBLCGDX-RCBQFDQVSA-N 391.449 -0.016 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@@H]1CCCO1 809304697 OQANFFCOABLBFA-XHSDSOJGSA-N 376.457 -0.952 30 20 GBED CC#CCS(=O)(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O 810771112 FZKZWSYVWPSCPG-QGZVFWFLSA-N 393.421 -0.069 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 850725269 GPWLZANYASEVJH-UHFFFAOYSA-N 377.445 -0.348 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(S(=O)(=O)NC)cc2)CC1 851873142 RUMOCWVAMNQULB-UHFFFAOYSA-N 386.499 -0.820 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)CN2CCC(C)CC2)CC1 895816239 WIYATAJTOJIFOQ-INIZCTEOSA-N 385.534 -0.098 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 957761714 SMHKUOZUJAOMGF-IATRGZMQSA-N 378.429 -0.518 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@@H]1O 964615348 NUZZSDCVVPPHCO-RABLLNBGSA-N 376.413 -0.604 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cncnc2)C[C@@H]1n1ccnn1 990964115 ZASJAGMYVHRJHR-WCVJEAGWSA-N 383.412 -0.159 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ncn(C)c1=O 997942809 INLOUZLCISTYKR-OWYFMNJBSA-N 389.456 -0.189 30 20 GBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C2CC(=O)NC(=O)C2)c1 1004126069 JHJWSJZXTIIPEO-OAGGEKHMSA-N 380.404 -0.023 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3c(cn2)OCCO3)C1 1024256161 MGEUJIHBYPJJJX-NGFQHRJXSA-N 389.408 -0.255 30 20 GBED CO[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1042979135 LWSUVIHWEPWZQW-YVECIDJPSA-N 379.442 -0.324 30 20 GBED C#CCNC(=O)CC(=O)NCC1(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CCC1 1062829298 HOORMZKVIHYTKX-GRDNDAEWSA-N 377.441 -0.668 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@H]1CCCS(=O)(=O)C1 1111240203 RZEKNBRNIGSVGL-TUVASFSCSA-N 382.486 -0.437 30 20 GBED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 1116938097 LRLQPDMODMDUGX-UHFFFAOYSA-N 390.421 -0.634 30 20 GBED CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1 1118355127 DQFFGMLXPUISAH-DZGCQCFKSA-N 376.438 -0.188 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCO[C@H]2C(=C)C)C[C@@H]1n1ccnn1 1130038294 WMOYOFIXVVFIPZ-DFGXFYAUSA-N 386.456 -0.650 30 20 GBED C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C[C@H]1NCC(=O)NCC#N 1215525185 GEGCQBTULFJAKV-FPCVCCKLSA-N 391.472 -0.767 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCNS(=O)(=O)CC)C[C@@H]1O 1220524604 XZEBXRZINBFEQH-XGUBFFRZSA-N 375.491 -0.932 30 20 GBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1221698945 DCGWPDYMFQUBIG-FPCVCCKLSA-N 378.473 -0.366 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@@H]1CCc2n[nH]cc2C1 1257151285 UFELRSBATGJKSY-GXTWGEPZSA-N 394.439 -0.218 30 20 GBED CN1CCN(CCNC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1(C)C 1261924931 IMRGIVQKCACMFK-INIZCTEOSA-N 376.505 -0.673 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)nn1 1325987027 SCAYFRAKCYSSHH-ZDUSSCGKSA-N 379.417 -0.351 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)C1 1326546077 XHRLESDCKADQQU-YGRLFVJLSA-N 376.335 -0.610 30 20 GBED CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCc2cccc(OCC#N)c2)C1 1328887887 UIUICHRKWOHRKN-HNNXBMFYSA-N 394.453 -0.255 30 20 GBED Cc1cc(C)nc(N2CCN(C(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)n1 1331891789 PHUNPSSTPNTIOM-QGZVFWFLSA-N 397.483 -0.059 30 20 GBED Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)nn1CCC#N 1337212119 KIVUFOULSZPBNS-STQMWFEESA-N 376.417 -0.204 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C)CC1 1347302414 ZTIBLGXVMXIPLR-UHFFFAOYSA-N 389.522 -0.908 30 20 GBED C#CCN1CCC(N(Cc2cnn[nH]2)C(=O)[C@H]2CCc3nnnn3CC2)CC1 1574985753 JOCSVWPXMDZQRE-AWEZNQCLSA-N 383.460 -0.130 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC[C@H](C(=O)NCCNCCc2cnn[nH]2)C1 1575014220 YMAPOEGMJMFFNG-CABCVRRESA-N 376.461 -0.670 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CNCc1cc(F)ccc1-c1nn[nH]n1 1588357672 OLEZANUVRDCCCB-RISCZKNCSA-N 376.392 -0.389 30 20 GBED C=CCOCCCC(=O)NC[C@H]1COCCN1c1nccnc1-c1nn[nH]n1 1588682707 PUXYDUGPFWAHGU-ZDUSSCGKSA-N 388.432 -0.039 30 20 GBED N#Cc1ncn(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1-c1nn[nH]n1 1609501343 PMXUNAOUPOHTGV-UHFFFAOYSA-N 387.310 -0.032 30 20 GBED C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@H]1CN(C)CCN1C 1610938836 YYJYOXFOPWYPTG-XJKSGUPXSA-N 379.486 -0.413 30 20 GBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1783047439 DDEOHUSQGQJOAE-BLVKFPJESA-N 386.408 -0.544 30 20 GBED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2 1784195432 SSYWVORORSSRFH-LJQANCHMSA-N 390.440 -0.438 30 20 GBED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)C2)CCC1 1785365629 KFKZESUJVYAWKQ-SCLBCKFNSA-N 377.445 -0.897 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(C)=O)C2 1793358139 SRFRYOJBFSDBPA-FMPTWSOUSA-N 397.472 -0.682 30 20 GBED COc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)cc1C 1794984982 BOXICDWSJIMGBJ-XOIINTDNSA-N 387.392 -0.310 30 20 GBED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC)C(=O)O 1795647466 OYFPVUQLFCCYRU-GFQSEFKGSA-N 389.399 -0.150 30 20 GBED CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801977767 WFBNGHNYJIELKC-AGGWBTHJSA-N 383.470 -0.295 30 20 GBED CN[C@@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1)C(=O)O 1817370191 YOEDPJGEBBPUNB-RYUDHWBXSA-N 391.384 -0.448 30 20 GBED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1831191940 VHXGDOXZNUSJKE-XNJGSVPQSA-N 387.502 -0.324 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1831390979 BVXMDIWTUYNMHS-HNAYVOBHSA-N 375.425 -0.215 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1cccnc1)CCO2 1833104924 OOXSWZAOSJJOBH-WUUFJKRQSA-N 399.403 -0.361 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836350777 PDRTYOBCXJBPIV-DYVFJYSZSA-N 394.432 -0.324 30 20 GBED CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839883617 RUUCESNPRXPFCG-GOSISDBHSA-N 378.429 -0.727 30 20 GBED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1)C(F)(F)F 1839893986 CBUAYGMUKDLCBB-SWLSCSKDSA-N 393.362 -0.304 30 20 GBED C=CCOCCCC(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2 1841603695 DBOVWDLNVZNNJK-UHFFFAOYSA-N 378.429 -0.276 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1 1841959574 YMGTVPJDFVAWJM-LBPRGKRZSA-N 390.444 -0.930 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)OCc2cc(=O)n(C)c(=O)n2C)cc1 45670743 LIOWRPDCEQXUMD-UHFFFAOYSA-N 391.405 -0.648 30 20 GBED CN(C)CCCN(CCC#N)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 69576440 UIHIOFSXGGVOBW-GJZGRUSLSA-N 384.502 -0.284 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)/C=C/c2ccc(OCC(N)=O)cc2)CC1 264813192 CCXRAXLAZJVIDO-RMKNXTFCSA-N 398.463 -0.152 30 20 GBED CCN(CCOCCO)C(=O)C(=O)N1CCN(c2snc(C)c2C#N)CC1 297913388 RDMRQWRDRBTHKV-UHFFFAOYSA-N 395.485 -0.171 30 20 GBED CC1(C#N)CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(C#N)cn2)C1 349473203 HXHLVAIBSMEYAT-UHFFFAOYSA-N 383.455 0.260 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@H](n3cccn3)C2)CC1 349485734 BBQOBPANNUEHFZ-ZDUSSCGKSA-N 387.487 -0.175 30 20 GBED N#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)nc1 409635809 OSXZXUXLCRZZSK-UHFFFAOYSA-N 385.405 0.326 30 20 GBED CN(C)C[C@@H](O)COc1ccc(NS(=O)(=O)N2CCO[C@H](C#N)C2)cc1 410136170 QNLADENHHWSEGA-GDBMZVCRSA-N 384.458 -0.131 30 20 GBED CN(C)C(=O)NCCN(C)C(=O)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 410947645 RNCPVGPJGVPNCU-AWEZNQCLSA-N 388.428 -0.337 30 20 GBED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H]2CO)n1 442264119 HQTDAUNUWFEMKW-OLZOCXBDSA-N 389.799 0.290 30 20 GBED CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(C)c1=O 512791078 YEGFUFBKWXPNDU-UHFFFAOYSA-N 389.506 -0.258 30 20 GBED CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 547294416 RQVGSPGDNCZSKB-GOSISDBHSA-N 386.387 0.004 30 20 GBED CC(C)[C@@H]1CN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CCN1C 570377322 NPCURBODHLIZJN-HNNXBMFYSA-N 375.477 0.053 30 20 GBED CCC[C@H](O)[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 581374543 QKDIMOMGJWYBKQ-CQDKDKBSSA-N 397.453 -0.051 30 20 GBED CCN(CCO)S(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 582251838 KALNONRKVGGKEU-UHFFFAOYSA-N 386.455 -0.273 30 20 GBED CC(=O)NCC(=O)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 604466082 UPUGGRNXFSKYGC-INIZCTEOSA-N 375.404 -0.213 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)n1 611359336 FUJHNWBQSBVFMB-LBPRGKRZSA-N 396.473 -0.012 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)cc1 670229626 DKNABVMHZJPQOE-UHFFFAOYSA-N 394.453 -0.263 30 20 GBED N#CCOc1ccc(CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 732068998 YHUGLUCLKLLJTJ-DLBZAZTESA-N 393.465 -0.255 30 20 GBED Cn1c(=O)c2c(ncn2CCC(=O)OCCNc2ncccc2C#N)n(C)c1=O 732502549 YEEBEIPJMMXAGO-UHFFFAOYSA-N 397.395 -0.254 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734037929 RKEZZJCIZFVEGP-RYUDHWBXSA-N 393.421 -0.632 30 20 GBED Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)O)cc1S(=O)(=O)NCC#N 738507745 OUCSSESCVUIIQH-LBPRGKRZSA-N 394.409 -0.788 30 20 GBED C#CCN1CCN(C(=O)CN2C(=O)C(=O)N(Cc3cccc(OC)c3)C2=O)CC1 749874783 ZDNWZLHANKNYLE-UHFFFAOYSA-N 398.419 -0.237 30 20 GBED Cn1cc(S(=O)(=O)NN=C2CCCc3cc(O)ccc32)c(=O)n(C)c1=O 771893218 XWJFQDNBSMDTRT-UHFFFAOYSA-N 378.410 -0.192 30 20 GBED C[C@@H](C#N)OCCOC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 801820539 MZMYGDXXALMZOI-LBPRGKRZSA-N 381.410 -0.107 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1)[C@H]1CCCO1 809312374 MWYVWFZGTKTADQ-JKSUJKDBSA-N 376.457 -0.950 30 20 GBED COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H]3CCCN(O)C3=O)C2=O)cc1 816753452 IQFDCAWUTASEIW-ACJLOTCBSA-N 390.396 -0.041 30 20 GBED C[C@@H](CC(=O)N1CCC(O)(C(=O)O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 833514754 ZUUZLRKCEIFTKL-NSHDSACASA-N 395.437 -0.058 30 20 GBED CC1(C)OCC(NS(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)CO1 848955522 CNHWSJVDSPWNAY-UHFFFAOYSA-N 389.455 -0.082 30 20 GBED C[S@@](=O)CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC1(C#N)CC1 848956347 QNQMBRLSPQYKAX-JOCHJYFZSA-N 391.496 -0.322 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1nncs1)[C@@H]1CCCO1 848963850 DUQKUMIILHQADA-QWRGUYRKSA-N 394.500 -0.230 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC1 892269634 CUYVQCSXMSFISZ-JKSUJKDBSA-N 385.534 -0.098 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(CC)n2)C[C@@H]1O 964193888 RLMFHTQSWVXWSR-UKMLZYKCSA-N 377.445 -0.029 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@H]1O 1025710172 BANUDQRPBLWHAB-NGFQHRJXSA-N 375.429 -0.565 30 20 GBED Cc1cc(C#N)nc(N2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)n1 1090558945 KXZXVCUTUDKPDU-TUVASFSCSA-N 388.428 -0.865 30 20 GBED C#CCNC(=O)C1CCN(C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 1116952880 ZZKFDHBENZZPET-UHFFFAOYSA-N 383.408 -0.766 30 20 GBED C#CCN1CCN(c2nnc(CNS(=O)(=O)CC)n2C[C@H]2CCOC2)CC1 1123235978 JTFNZDCDMGMYNG-OAHLLOKOSA-N 396.517 -0.491 30 20 GBED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cnc2c(C#N)cnn2c1 1261493027 HBIVSXJRLHZLTO-AWEZNQCLSA-N 376.442 -0.274 30 20 GBED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NC1CCN(CC#N)CC1 1320027961 NXIFFMZIUBEVFF-UHFFFAOYSA-N 394.443 -0.031 30 20 GBED CCn1cc([C@@H]2C[S@@](=O)CCN2S(=O)(=O)N2CCO[C@@H](C#N)C2)cn1 1321196303 PTJWKZOVNQQBHO-XACMVJRISA-N 387.487 -0.522 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCCN2CCC[C@@H]2C1 1323420590 NNSCKUUPHMVVBH-JFVSRZABSA-N 375.429 -0.674 30 20 GBED CN1CCC(CNC(=O)C(=O)Nc2cccc(C#N)n2)(N2CCOCC2)CC1 1328224786 RUSCYEMNHPVUBL-UHFFFAOYSA-N 386.456 -0.195 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCOCC(F)F 1329899390 UIXVGRSZYNWCHR-NSHDSACASA-N 382.371 -0.217 30 20 GBED C=CCCSCCn1nnnc1N1CCN(S(=O)(=O)N(C)C)CC1 1352590232 ZQFFJLWXZFPZIE-UHFFFAOYSA-N 375.524 -0.089 30 20 GBED C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573285988 QVFHQVJVLXIINE-WFASDCNBSA-N 384.444 -0.083 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[nH]n2)cn1 1573294753 KQAQVJHQZIEOLT-XUJVJEKNSA-N 388.432 -0.131 30 20 GBED C=C[C@](C)(O)CC(=O)N1C[C@H]2CCN(CC(=O)NCc3cnn[nH]3)C[C@H]2C1 1575072497 JDPGWVQBINXNDD-GLJUWKHASA-N 376.461 -0.472 30 20 GBED N#CCSCC(=O)N[C@@H]1CCN(C(=O)C2CCN(Cc3cnn[nH]3)CC2)C1 1577709884 GTQPLKPEVXXVJJ-CQSZACIVSA-N 391.501 -0.009 30 20 GBED C#C[C@@H](C)N(C)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1C[C@H]1CCCO1 1588326895 XQNYDPJDNFICBR-VXGBXAGGSA-N 383.420 -0.265 30 20 GBED C#CCNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]2C1 1588352910 ADLQICNTZIULSS-MCIONIFRSA-N 396.455 -0.273 30 20 GBED C=C[C@H](C(=O)NC[C@@H](CO)N=c1cc[nH]c(-c2nn[nH]n2)n1)c1ccccc1 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N[C@@H](Cc1cscn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801988291 GQXPATTYJIYZHM-GHYVTOPFSA-N 376.438 -0.261 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1829771020 AXUTXNILHFVKDG-BSPJFRGUSA-N 395.431 -0.341 30 20 GBED COCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1835232532 LVABGFPGSCDLBW-SFHVURJKSA-N 376.413 -0.007 30 20 GBED CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC#N)CCO2 1835356569 DIYDWNDFMSSOTC-QLXKLKPCSA-N 385.486 -0.095 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)CC1 1835394015 LQILBMORLMFEIA-LJQANCHMSA-N 392.456 -0.921 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(=O)NCC(C)C 1847261645 BLACXNCSXUHPCG-LUNKNMTDSA-N 376.457 -0.181 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCOC 255632197 ZYLJPLOSBWHQRX-UHFFFAOYSA-N 388.405 -0.287 30 20 GBED N#CCCn1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)n1 265567908 NJCYAYNDIPXSKK-NSHDSACASA-N 378.414 -0.099 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)OC)c1cc[nH]n1 278681587 PDZFJIHTQXXWQJ-ABYJEHTCSA-N 392.372 -0.683 30 20 GBED C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 298505010 YOOCMRGSDRSDBA-UHFFFAOYSA-N 397.439 -0.441 30 20 GBED C[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCN1S(C)(=O)=O 330680903 MCUSXDYIURLSAC-ZDUSSCGKSA-N 399.494 -0.035 30 20 GBED C[C@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1cc(C#N)ccn1 349462817 LPVFCHITCXYKDG-AAEUAGOBSA-N 388.471 -0.130 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCNC(=O)C1(C)C 349590535 LXBHJVXIKHNGCS-LBPRGKRZSA-N 394.519 -0.520 30 20 GBED N#CCNC(=O)CNC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 367921153 OLNKYUSPTCZWDR-UHFFFAOYSA-N 397.432 -0.082 30 20 GBED N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)cc1 419278759 HNIUBPGZVRALDY-QGZVFWFLSA-N 383.452 -0.155 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)CC1 459885579 MJUFKIDDEFQARD-ZACQAIPSSA-N 392.500 -0.558 30 20 GBED CN(CC(=O)NC[C@H](CO)[C@@H]1CCOC1)S(=O)(=O)c1ccc(C#N)cc1 482668808 KGIDBRFNCVRDDN-HUUCEWRRSA-N 381.454 -0.060 30 20 GBED C=C(C)COCCNC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 505622511 PJBXXHCLHMDDJR-UHFFFAOYSA-N 376.413 -0.190 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCN(c2cnccn2)CC1 519797469 BOCCAHINVJXWJN-UHFFFAOYSA-N 383.460 -0.133 30 20 GBED N#Cc1ncn(CCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 552673013 MGMOJLNLKJBBMY-UHFFFAOYSA-N 390.425 -0.399 30 20 GBED C[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)CN1CCN(C)CC1 557376964 HPTIFBHRYWBYQR-CQSZACIVSA-N 389.504 0.448 30 20 GBED N#Cc1ncn(CCNC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)n1 571469806 HJCNFHMWXKWTIQ-UHFFFAOYSA-N 399.230 -0.010 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CC3)C2)cc1 573506944 XNQZQYZYTRHKLH-UHFFFAOYSA-N 398.466 -0.311 30 20 GBED COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 588123867 NAPAFKFSDQTGNH-GJZGRUSLSA-N 393.488 -0.520 30 20 GBED C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)NC1CCN(CC#N)CC1 588127494 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C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1nccn1 960440282 QMOOVYLBYUZXSQ-MPTYRVRUSA-N 375.429 -0.303 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc3nnnn3c2)C1 968839081 YHIMYPSMDBHHOC-KBXIAJHMSA-N 386.412 -0.593 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(=O)c(OC)co2)C1 968865177 PLHLEEXVVOJIOZ-RFHZTLPTSA-N 378.381 -0.459 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn3ccc(C)nc23)C[C@@H]1O 970702405 QPWUXNNCQQHDEN-OJLVUWQFSA-N 385.424 -0.070 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2nnnc2C(C)C)C1 1023903426 SVRSRRRZWLHFTP-NHIYQJMISA-N 392.460 -0.534 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)N1CCCC1 1110553565 XHKOXLJZXZLWQK-FPCVCCKLSA-N 375.473 -0.349 30 20 GBED CN1[C@H]2CC[C@H]1CN(C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)CC2 1116971405 MFHURHFCJOXBJC-SAFUZZNQSA-N 375.429 -0.676 30 20 GBED CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C(=O)NC1CCN(CC#N)CC1)CC2 1117327128 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378.335 -0.063 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)nn1 1326250667 OTOCGMGZFMOVPD-NVXWUHKLSA-N 389.504 -0.435 30 20 GBED CCN1C[C@H](C)N(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1326597128 PELZVZAQOIHFFD-JJLJGCLUSA-N 377.445 -0.430 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)CCNS(C)(=O)=O 1331057033 OCXHIMFIKXIKDK-UHFFFAOYSA-N 396.469 -0.459 30 20 GBED C=CCn1c([C@H]2CCC(=O)NC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1342278615 IDKIJBAJXULBFW-AWEZNQCLSA-N 387.488 -0.142 30 20 GBED C#CCN(CCOC)c1nnc([C@H]2CCCNC2)n1CCS(=O)(=O)NC 1574667249 OBCSEOJPABBVGC-AWEZNQCLSA-N 384.506 -0.620 30 20 GBED C#Cc1cccc(NC(=O)NC(=O)CN2CCN[C@H]3CS(=O)(=O)C[C@H]32)c1 1574766928 WRKGSTSSOYCXCP-LSDHHAIUSA-N 376.438 -0.613 30 20 GBED C=CCCOCC(=O)N(Cc1cnn[nH]1)C1CCN(C(=O)CC(=O)NC)CC1 1575100762 WMXFRCJUNQETPN-UHFFFAOYSA-N 392.460 -0.147 30 20 GBED CN(C[C@@H](O)CNC(=O)CCOCc1cnn[nH]1)C(=O)c1ccc(C#N)[nH]1 1576771684 XWLAROYHBPSVHL-ZDUSSCGKSA-N 375.389 -0.840 30 20 GBED CN(C[C@H](O)CN(C)c1cncc(-c2nn[nH]n2)n1)C(=O)c1c[nH]c(C#N)c1 1579030104 MQYRDJAIVDFYPD-GFCCVEGCSA-N 382.388 -0.574 30 20 GBED COC(=O)c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CCOC[C@H]1C#N 1591285795 KZPLSUQKXZIIJP-SNVBAGLBSA-N 378.370 -0.434 30 20 GBED N#CCN1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)C3)[C@@H]2C1 1592677464 FERUKTSWDRIBHP-YUTCNCBUSA-N 397.399 -0.562 30 20 GBED Cc1ccc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)O)cc1S(=O)(=O)NCC#N 1600332555 HRPLUQSUNPUSHZ-JSGCOSHPSA-N 381.410 -0.153 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1778963986 CTVVUYHUBRCYRB-LIRRHRJNSA-N 396.488 -0.339 30 20 GBED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)COCCO)CCO2 1779018843 HLKFXBSTCMKTOW-LPGQDOADSA-N 382.461 -0.703 30 20 GBED CNC(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779099349 FKEVJNCGFXZPSB-CPIJOOSUSA-N 396.444 -0.519 30 20 GBED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1ccccc1=O 1779272900 YCZQCWHHMXFTPN-LIRRHRJNSA-N 387.392 -0.673 30 20 GBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781342917 ONNOZNSOZPHKEA-AUUYWEPGSA-N 395.456 -0.275 30 20 GBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1781692478 OZDIEBRXBPKELP-SQGPQFPESA-N 376.501 -0.231 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)CN)CCO3)c(Cl)c1 1781967972 CPVYIZHWYWMWKW-MAUKXSAKSA-N 391.859 -0.059 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)[C@H]2C1 1783626238 TVIZKQFOWOJYMX-QEOTZNIISA-N 391.468 -0.469 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C[C@@H]21 1784480990 BURJIPYVTFHYAZ-XAJHFOFHSA-N 391.468 -0.469 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n(C)n1)C2 1793354828 TUGYZPYXMZNVPX-NFFDBFGFSA-N 378.429 -0.080 30 20 GBED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793940834 IJRQMZGMXYTLRN-VGYDOTAVSA-N 398.485 -0.872 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1831393432 LZWDRCIWWAHLDG-APWZRJJASA-N 390.440 -0.622 30 20 GBED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)COCCO)CC2)CC1 1833466745 NNBIFFVGLVSYTQ-MRXNPFEDSA-N 395.500 -0.395 30 20 GBED COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1833861284 BCQOJVFDIXRWJL-KRWDZBQOSA-N 377.401 -0.588 30 20 GBED Cn1c(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)cccc1=O 1835353934 GDPDCKDNMYIIPW-IBGZPJMESA-N 388.424 -0.241 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)(C)C)CCO2)C1 1835609623 UWFFLXBOACMHPM-UZLBHIALSA-N 395.500 -0.131 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1 1837397915 XOEPFMBVFNVBHY-YZVOILCLSA-N 383.489 -0.389 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncon3)CCO2)C1 1838314274 SZPSTAYWJUDTRB-DYVFJYSZSA-N 378.385 -0.822 30 20 GBED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COCCO)CCO2 1839195976 RHZKIJTUNVXHDZ-LJQANCHMSA-N 382.457 -0.355 30 20 GBED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843348296 BFOOXMRFAIUGMQ-UONOGXRCSA-N 395.504 -0.055 30 20 GBED C[C@H](S)C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1846368340 XELIOWJQYVVLGA-LBPRGKRZSA-N 375.516 -0.066 30 20 GBED COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 275678795 PDOHAGUOAUXVIH-VXGBXAGGSA-N 377.401 -0.027 30 20 GBED CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCOC1 349555235 UDHKGTKNZCGRQT-GFCCVEGCSA-N 391.475 -0.385 30 20 GBED CC(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 367767636 CFUYQXMZHCBDHW-UHFFFAOYSA-N 384.371 0.512 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)c1 370863547 WOIPMYNEBIVGST-CYBMUJFWSA-N 378.414 -0.122 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H](CC(N)=O)C1 460703391 QYEAJMIMHHJFSD-ZDUSSCGKSA-N 395.423 0.500 30 20 GBED CCN(CCO)CCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 469638130 UOTUJHDPEFQLKG-UHFFFAOYSA-N 388.403 0.252 30 20 GBED CN(C)C(=O)Cn1cnc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)n1 475854506 TWHXOOAUQYUVHT-UHFFFAOYSA-N 383.416 -0.013 30 20 GBED C[C@@H]1CS(=O)(=O)CCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 527296512 OKIZXBOHFZMKRA-GFCCVEGCSA-N 385.467 -0.176 30 20 GBED CC(C)n1cc(C#N)c(=NC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)[nH]1 539198328 QRCDKEYZOMEKSO-UHFFFAOYSA-N 389.445 -0.521 30 20 GBED CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)NCC(=O)NCC#N 553716637 FVEHNBODAFDGHT-UHFFFAOYSA-N 381.458 -0.047 30 20 GBED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)C(C)C 559867890 RLVFNOXOGRXMCW-LSDHHAIUSA-N 386.518 -0.309 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CO)COC)cc1 594628776 JWKDJVGZFZJMEM-NWDGAFQWSA-N 391.471 -0.447 30 20 GBED CN(CCN1CCOCC1)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 608904360 MWOXKDYVMGMJCB-UHFFFAOYSA-N 380.470 -0.031 30 20 GBED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)c(C)c1 608911823 QSOMBTQWQIMOSH-UHFFFAOYSA-N 396.472 -0.206 30 20 GBED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C#Cc1ccc2c(c1)OCO2 761861058 MXSNVNJUUPCEOX-CQSZACIVSA-N 392.433 -0.081 30 20 GBED C#CCN(C)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 802578791 DFARERCSNSLQKO-UHFFFAOYSA-N 395.437 -0.254 30 20 GBED CC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1cnnn1C 814745889 JQVORUBRXGVZNF-UHFFFAOYSA-N 378.462 -0.018 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCCSC 839370780 QXRCRZALZDRUKF-UHFFFAOYSA-N 377.495 -0.355 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@](C)(C(=O)OC)C2)c1=O 840183602 GCMFRESYMCMPDO-GOSISDBHSA-N 378.429 -0.224 30 20 GBED C[C@H](CCC(=O)N[C@H]1CCCN(O)C1=O)CC(=O)N[C@H]1CCCN(O)C1=O 848138004 IAYUFVIGJAQSQM-AGIUHOORSA-N 384.433 -0.214 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(NC)c([N+](=O)[O-])c1 853153646 ZGYRMCCYJXBBPW-SNVBAGLBSA-N 398.397 -0.404 30 20 GBED C#CCCCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCCOCC 909365168 BDVIYINMKWZRAK-HNNXBMFYSA-N 388.472 -0.192 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)Cn3cnnc3O)C[C@@H]21 960978785 SIWCXFSRQVSQIS-ZOBORPQBSA-N 377.401 -0.987 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@@H]1O 964489512 HTHDWUSCTHKHCS-YXPYIKCWSA-N 375.425 -0.332 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)ncn3C)C1 1024996048 RXQIWRGMPAMHEI-MIGQKNRLSA-N 385.424 -0.139 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnc3c2nnn3C)C[C@H]1O 1025710512 SPISZAGELWOCGT-ZRJCITRHSA-N 386.412 -0.744 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1044222018 VHDOAKYYONJXRZ-DZTUFKMZSA-N 391.468 -0.430 30 20 GBED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 1093056350 VPBUCOKFTWHEHZ-ASEORRQLSA-N 378.458 -0.098 30 20 GBED Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)Cn2cnc(C#N)n2)CC1 1116311907 ZYKGWTMHQLHRMW-UHFFFAOYSA-N 393.429 -0.322 30 20 GBED Cc1nnc(CNC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)n1C 1117169694 HFUFUCQTDMFYLY-LLVKDONJSA-N 383.416 -0.861 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NC[C@H]2CC(c3ccc4c(c3)CCO4)=NO2)CCO1 1117695981 SIDMPCKPEMCPFW-CABCVRRESA-N 384.392 -0.018 30 20 GBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H]2c2ccccc2)C1 1196314458 VQHIKWYUAVPKAK-FCGDIQPGSA-N 386.496 -0.205 30 20 GBED CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cn(C)c(=O)n(C)c2=O)cc1 1263290242 IIOJLMVHYSUDQP-ZDUSSCGKSA-N 397.391 -0.253 30 20 GBED O=C(N=C1NS(=O)(=O)c2ccccc21)C1=CN2CCS(=O)(=O)N=C2C=C1 1318318655 NMGXGVZKPDDHTR-UHFFFAOYSA-N 392.418 -0.251 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H](O)C[C@H]3CO)CC2)cc1 1320701513 XPZVAJZWAXUVNE-HOTGVXAUSA-N 393.465 -0.087 30 20 GBED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCNS(C)(=O)=O 1322799139 XWMGRQWAULLDBG-UHFFFAOYSA-N 395.485 -0.886 30 20 GBED C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1325561538 ZUKMAWLIUCEFKG-ZGTROFRASA-N 377.445 -0.380 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](C)C1CCN(C(=O)OC)CC1 1329381050 HUAIJXFFWWEGDB-GFCCVEGCSA-N 389.474 -0.314 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3cscn3)CC2)CCN1C1CC1 1330317679 HEBXEPBPCQPUDA-MRXNPFEDSA-N 388.497 -0.014 30 20 GBED N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccco2)CCO1 1505322415 NLTAVTAXCQTTQU-QWHCGFSZSA-N 399.411 -0.019 30 20 GBED C=C(C)Cn1c(C[S@@](C)=O)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 1524067628 MEZUEOCHDYDTQH-XMMPIXPASA-N 390.535 -0.339 30 20 GBED C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC 1574759429 KBSZCUPYCKVAEF-WMLDXEAASA-N 396.517 -0.178 30 20 GBED CN(C)C(=O)Cn1c([C@@H]2COCCN2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1578401440 IOXVJMBZNOAYCB-CABCVRRESA-N 388.476 -0.796 30 20 GBED Cc1cc(C#N)nc(NC[C@@H](O)CN(C)c2nc(C)cc(-c3nn[nH]n3)n2)n1 1605588860 LENZISIBNBUVJC-GFCCVEGCSA-N 381.404 -0.156 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 1609021335 TVWIRQTUTVAMGC-UHFFFAOYSA-N 395.423 -0.529 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779088272 RXMNGLCFLNTGDH-FUHWJXTLSA-N 399.513 -0.614 30 20 GBED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CNC(N)=O)CCO3)C2)c1 1782067768 VQGZHIQBRZXCIW-IBGZPJMESA-N 385.424 -0.022 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=S)NCC)C2)C1 1782640785 VTMYSFNXXWHAKY-RDTXWAMCSA-N 396.513 -0.661 30 20 GBED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1784536197 PBNNBJAHCLGOIV-TZQJONAQSA-N 382.486 -0.204 30 20 GBED C[C@@H](Cn1cccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1785443916 LFMLTVFSGDDYAX-VGWMRTNUSA-N 388.424 -0.413 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3CCC4)C[C@@H]21 1791077822 YTUZZFVUJLIDMM-NOLJZWGESA-N 386.408 -0.489 30 20 GBED CSCC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077924 MQNSKDMHMPFPDX-XUXIUFHCSA-N 384.454 -0.832 30 20 GBED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN(C)C(=O)C(=O)O)C3)C1 1792442883 GVWNFMWTWOQJHC-AGGWBTHJSA-N 379.413 -0.915 30 20 GBED CN1CCCn2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)cc2C1 1795083209 FKMNXTOJZMMNDX-ZSBFGKGUSA-N 386.456 -0.165 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(C)n1 1796654512 WZVOUWPHNCGPNM-KQLJBOCNSA-N 399.451 -0.153 30 20 GBED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2cccnn12 1798498041 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N#CCSCC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[nH]n3)nn2)C1 1606351203 PLOMDBTVNXFMEU-HNNXBMFYSA-N 389.445 -0.321 30 20 GBED N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1771537527 PTDRHQXZMJAPNX-ZENOOKHLSA-N 397.457 -0.940 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1778970191 YCAFOXWFMVKBGW-BIENJYKASA-N 397.472 -0.548 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 1784480347 WPBZROITOJDMCS-QXKUPLGCSA-N 377.441 -0.717 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(C)n3)C[C@@H]21 1784500935 FMVLBAIIRGNYJR-AJNGGQMLSA-N 377.445 -0.001 30 20 GBED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCN(C)CC3)[C@H]2C1 1786729615 SEDIPZOVXQPEFI-QAETUUGQSA-N 398.573 -0.078 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=N)N)[C@H]3C2)cc1 1786807521 BDBBHALWAPIIET-JYJNAYRXSA-N 384.440 -0.365 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Cn1cncn1)C2 1793343957 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CN1CCCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039634 BCADEAHDGGHREM-HNAYVOBHSA-N 393.440 -0.985 30 20 GBED N#Cc1ccc(CC(=O)N2CCCC23CN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)cc1 1841098979 LBIRLGQFWIBXGL-HNNXBMFYSA-N 395.419 -0.098 30 20 GBED C[C@H](C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1)n1cnnn1 1844303436 ZHWWZMIJULUQDZ-SFCGCRHKSA-N 391.432 -0.034 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCOC 255113515 PTAHGJIUDQRPTH-UHFFFAOYSA-N 385.445 -0.260 30 20 GBED C/N=C(/NCCS(=O)(=O)N1CCSCC1)N1CCN(C(C)=O)CC1 262376592 JQWLKIOHAXGRHN-UHFFFAOYSA-N 377.536 -0.896 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc3nonc23)CC1 268843099 IEPSXVZWVMLTQC-UHFFFAOYSA-N 377.426 -0.331 30 20 GBED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N 277097538 LBCKUANHOFMGNW-LBPRGKRZSA-N 397.457 -0.135 30 20 GBED C[C@@]1(C(N)=O)CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 297924603 URAXHWIGNMQESE-OXJNMPFZSA-N 383.452 -0.053 30 20 GBED COCCN1CCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 297988219 ZTXSRKFLUGQEAF-UHFFFAOYSA-N 399.495 -0.007 30 20 GBED O=S(=O)(N1CCOCC1)N1CCN(/C(O)=N/CC2CCOCC2)CC1 328685986 XXNDXCHYNJEPJW-UHFFFAOYSA-N 376.479 -0.478 30 20 GBED CC(C)(C)/N=C(/O)NC(=O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 330634864 LYZOQHPMCDIFQN-UHFFFAOYSA-N 381.433 -0.892 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1C[C@H](O)C(C)(C)C1 349627211 WCGUFKQILYIGFS-STQMWFEESA-N 381.520 -0.027 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nnc2n1CCOC2 365142236 GBTNTJYFZHJDJZ-LLVKDONJSA-N 390.425 -0.337 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 374446320 IMHRZFGUDGYINY-UONOGXRCSA-N 378.520 -0.483 30 20 GBED CCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 409535065 KKZYQTZNLSKPBY-UHFFFAOYSA-N 384.462 0.020 30 20 GBED CNC(=O)c1cccc(CCNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 527776244 YZSBWJZOCBXXKB-UHFFFAOYSA-N 396.407 -0.011 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@H](C(=O)O)[C@H](O)Cc1ccccc1 565055110 PLTIAYIREPNPIV-CABCVRRESA-N 385.442 -0.260 30 20 GBED CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 578735185 YJVHVKVQFQOCEK-CQSZACIVSA-N 389.460 -0.276 30 20 GBED CN(C)C(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 581737016 SLIRFVRXAAMMRH-UHFFFAOYSA-N 386.455 -0.612 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 583116906 YUOCZICACSMKCH-NSHDSACASA-N 376.464 -0.805 30 20 GBED COC1(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCOCC1 588647038 RRCGEVCLDUENSO-UHFFFAOYSA-N 387.440 -0.086 30 20 GBED COC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 594628889 NFFNVOLJPNGXPT-LLVKDONJSA-N 389.455 -0.693 30 20 GBED COc1cc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c(F)cc1C#N 599972313 WIPQSKDMNHLXNO-LLVKDONJSA-N 375.316 -0.593 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(N)=O 608911978 YDELXVWNXGAODD-UHFFFAOYSA-N 386.408 -0.661 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CC1 667798765 UVRMBPALDVXRRQ-CQSZACIVSA-N 381.458 -0.452 30 20 GBED CCOCCCNC(=O)[C@H](C#N)C(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744024499 YPZGFHDLFRWZNI-XJBGLIRHSA-N 391.424 -0.209 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1 761025687 XQGDNHURWFFOCF-HNNXBMFYSA-N 396.488 -0.042 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2ccc(COC)cc2)CC1 761038713 SFGZZPXKPAMXKL-UHFFFAOYSA-N 394.497 -0.466 30 20 GBED Cn1c(=O)c2ccc(C(=O)NS(=O)(=O)CC(C)(C)C#N)nc2n(C)c1=O 776142697 IZTUWAURSCBPPW-UHFFFAOYSA-N 379.398 -0.758 30 20 GBED CC(C)OCCS(=O)(=O)NCC(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1 787729757 UQNRTKQGFKCGQJ-LBPRGKRZSA-N 375.447 -0.175 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 787756851 SAAQFCSRWLUVDT-MRXNPFEDSA-N 386.456 -0.195 30 20 GBED CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 806780452 ALEQQCMCCNLJHS-TZFAWSOVSA-N 399.473 -0.374 30 20 GBED C[C@@H](CC(=O)OCC(=O)NCCC(=O)O)/N=C1/NS(=O)(=O)c2ccccc21 827391644 HITTWNNNCZJYSG-JTQLQIEISA-N 397.409 -0.362 30 20 GBED C#C[C@H](NC(=O)C(=O)NC[C@@H](N1CCNCC1)C(F)(F)F)[C@H]1CCCO1 842164547 WTVCQGVMUQULTC-YNEHKIRRSA-N 376.379 -0.764 30 20 GBED Cn1nccc1[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O 843337466 CHKFPMAXLJMMDU-AWEZNQCLSA-N 391.409 -0.209 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC3(C2)OCCO3)cc1 848638384 HBUFPGIZRCZQMA-UHFFFAOYSA-N 387.439 -0.374 30 20 GBED CN(C)S(=O)(=O)CC/N=C1/NC[C@H]2CN(C(=O)OC(C)(C)C)CCN12 849084920 BYZRZYRYOCCFRX-LBPRGKRZSA-N 375.495 -0.242 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc3c(c2)CCO3)CC1 892629145 RVSONNSBPDNSEX-UHFFFAOYSA-N 378.454 -0.084 30 20 GBED N#CCOc1ccccc1C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 920414018 NHRUXTYIKFIZOI-NSHDSACASA-N 395.393 -0.241 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)C1 965495776 SJVWLGKPHNQEGB-XGUBFFRZSA-N 377.441 -0.471 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cn(C)cn1 993558158 SCZPXEQOPRDFMZ-OSRDXIQISA-N 375.429 -0.703 30 20 GBED COCCS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N 1093057188 FSBRNAVRRBDALR-BZPMIXESSA-N 379.442 -0.365 30 20 GBED N#CCn1cc(NC(=O)C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)cn1 1116332660 XLXMQVJAWFAPEO-UHFFFAOYSA-N 387.444 -0.498 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 1117435975 AQDFXIGQALVGMX-UHFFFAOYSA-N 390.415 -0.326 30 20 GBED C[C@@H]1CN(C)C[C@H](C(=O)NCc2nc([C@H]3CCO[C@H]3CNCC#N)n[nH]2)O1 1130221085 TZOJYWQCBHIPMK-ZOBORPQBSA-N 377.449 -0.874 30 20 GBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1 1194865426 GDBOHPFKBASFFT-WJFTUGDTSA-N 384.480 -0.233 30 20 GBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)[C@@H]2C1 1221862657 JEDIUXOPTOWYJS-YFHUEUNASA-N 386.456 -0.539 30 20 GBED CN1CC[C@](O)(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 1321135711 LDXXEQAOQHOPMK-SFHVURJKSA-N 383.412 -0.681 30 20 GBED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NCCN1C(=O)CNC1=O 1323483913 ZRRDAKPYCGSIKT-LSDHHAIUSA-N 383.408 -0.047 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CC(=O)N(C2CC2)C1 1323596058 SHOXLGMJMWXNOP-NSHDSACASA-N 376.438 -0.148 30 20 GBED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC(C#N)C1 1324358335 AXNVBQNVJIWRDP-CQSZACIVSA-N 385.467 -0.250 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(c3cc(OC)ccn3)CC2)nn1 1325987160 XIZLBHSDVMJFPX-UHFFFAOYSA-N 385.428 -0.167 30 20 GBED C#CCNC(=O)CN1CCN(C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC1 1327051130 RSNPCHOKBHMEHS-IBGZPJMESA-N 393.509 -0.335 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCn3cnnc3C2)cc1 1329220395 QDASBNMOGANIPN-UHFFFAOYSA-N 396.454 -0.373 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N(C)CC(=O)N1CCCC1 1330420355 UOOOKKHLOGAFJN-AWEZNQCLSA-N 399.455 -0.534 30 20 GBED C[C@H](N)CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1330869769 HCPVWRNCMDPISE-ZDUSSCGKSA-N 393.469 -0.755 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCOC[C@H]1c1ccco1 1346278173 UFTHPLANEKKSGP-VVLLMFOMSA-N 388.380 -0.178 30 20 GBED C=CC(C)(C)Cc1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCOC 1523660021 TZKNSOOQUTVKBO-CYBMUJFWSA-N 376.461 -0.174 30 20 GBED C[C@H](C#N)C(=O)N1CC(N2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)C1 1573560949 IEHRJGDHTWFZJI-LLVKDONJSA-N 383.416 -0.677 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC(=O)N1 1574936595 BQIIMWJIJWQJFO-GFCCVEGCSA-N 385.432 -0.547 30 20 GBED N#Cc1ncn(CC(=O)N2CCC[C@@H](Nc3ccc(-c4nn[nH]n4)cn3)C2)n1 1581885518 CLXUVLADTAURQS-GFCCVEGCSA-N 379.388 -0.172 30 20 GBED C#Cc1ccc(C(=O)N2CCO[C@H](CNc3cncc(-c4nn[nH]n4)n3)C2)cn1 1588364704 KWBUOUNPVFYXOO-CQSZACIVSA-N 391.395 -0.014 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 1588404609 JFXZSIFNKDUCNZ-QWHCGFSZSA-N 385.432 -0.178 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[nH]n2)nc1 1588406342 TYCIWWNWEQHFCZ-UKRRQHHQSA-N 388.432 -0.378 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1591362344 UKJHHQIVIFMLSA-MELADBBJSA-N 390.425 -0.523 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCN2CCOC[C@@]2(CO)C1 1592664638 GMPKDHNJGNWAAG-LPHOPBHVSA-N 397.439 -0.546 30 20 GBED N#CCSCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O 1592679674 ZCSBUYSHBTYDLR-JOYOIKCWSA-N 390.429 -0.857 30 20 GBED C#CCCN(CCOC)C(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1602712466 LQJMTYIPSRXHIG-UHFFFAOYSA-N 392.441 -0.357 30 20 GBED N#CCSCC(=O)N1CCCO[C@H](CNc2nccnc2-c2nn[nH]n2)C1 1606351368 SQQZGQLQPLYMFJ-LLVKDONJSA-N 389.445 -0.057 30 20 GBED C#CCNC(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 1757008852 JQPCHTFMDRHDIG-YLFCFFPRSA-N 387.411 -0.243 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)c1 1780600638 ZYSVBLAUIKDJTF-GOSISDBHSA-N 381.396 -0.312 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1781396945 WFXWUQRZUDXAMK-XSWJXKHESA-N 382.461 -0.660 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1783563962 FVQHVJUXRLMDJM-SFHVURJKSA-N 383.364 -0.511 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784388590 YWRAZMYVGCJAAM-SUMWQHHRSA-N 393.469 -0.235 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1790793959 QPWYMGNRSKMSAV-YDHLFZDLSA-N 381.392 -0.684 30 20 GBED NC(=O)CC[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1795530435 RICFYJCAYNWTDE-CLWJZODNSA-N 398.463 -0.780 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(C)(=O)=O 1795787632 LBPCXUNPMNQFHZ-BTTYYORXSA-N 384.502 -0.049 30 20 GBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1801001914 BKCDHKUASXYNBM-YWVIFJGQSA-N 376.413 -0.577 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1832461456 WWTOVMZHKDWRAZ-GOSISDBHSA-N 399.513 -0.112 30 20 GBED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CS(C)(=O)=O)CC2)CC1 1833485227 NVCTYSIKQWCTHB-CQSZACIVSA-N 383.514 -0.128 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncccc1F)CCO2 1838251660 GCRRYOYWAGUJIA-GOSISDBHSA-N 391.355 -0.621 30 20 GBED O=C1C[C@H](C(=O)N2CCCC23CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)CN1 1845998719 LXFUAWIFBOHJRX-XQSXULBNSA-N 378.429 -0.145 30 20 GBED CNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 25172047 NBYSZTZTBYNEBN-LBPRGKRZSA-N 379.442 -0.291 30 20 GBED C/N=C(/NCc1nnc2n1CCC2)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 261965357 LJNBCAVQOHYNCW-OAHLLOKOSA-N 388.520 -0.072 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](C)N1CCN(C)CC1 268809794 LVDNJRAVCGHBLU-CABCVRRESA-N 393.513 -0.023 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@@H](C)CN1CCN(C)CC1)c1cc[nH]n1 276664419 YLZAHMITSGPVDG-JEEMYIIMSA-N 380.449 -0.554 30 20 GBED COCCOCCCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 284852713 YDHNZWDVJYHLAA-UHFFFAOYSA-N 375.429 -0.229 30 20 GBED N#Cc1ncn(CCNC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)n1 287920102 QVARAQVRPGZKMK-INIZCTEOSA-N 397.439 -0.081 30 20 GBED C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 332767066 CNSNFEPBIAHMCE-KBPBESRZSA-N 384.502 -0.047 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC[C@](O)(C4CC4)C3)n2)cc1 369494586 RRUDIOGFHNQHOG-LJQANCHMSA-N 380.408 0.510 30 20 GBED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CC[C@@H](S(N)(=O)=O)C2)c1 476388083 CHMYMCWEHITCJT-CABCVRRESA-N 376.438 -0.061 30 20 GBED COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCO1 491390788 YCZWLXYYMCQOKN-CQSZACIVSA-N 398.379 -0.463 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(S(C)(=O)=O)n2)cc1 492226480 VRLSIOHWNDWDPE-UHFFFAOYSA-N 385.427 -0.075 30 20 GBED N#Cc1ccc(S(=O)(=O)CCN2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@H](O)[C@@H]32)nc1 519651913 NNZQZPBEWXTPAC-UDBWOWTPSA-N 375.450 -0.213 30 20 GBED CC1=NNC(=O)[C@@H]1CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 532219088 MKJUDBCACZAZSX-BXUZGUMPSA-N 377.426 -0.147 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCN3CCCC3=O)C2=O)cc1 581436997 SRYUOPXBUUYHID-INIZCTEOSA-N 397.435 -0.092 30 20 GBED COC(=O)CN(CC(=O)OC)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 731475878 NWGNWTBTTISXOM-UHFFFAOYSA-N 397.409 -0.710 30 20 GBED Cn1cnc(S(=O)(=O)NCC(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)c1 756451774 LMPWVHUHFLMQRD-AWEZNQCLSA-N 377.382 -0.660 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cccc(OC)n2)c1=O 790427678 JWWPQOLNKQJPOF-UHFFFAOYSA-N 382.445 -0.024 30 20 GBED C[S@@](=O)CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 805000299 QQGFOIULYNXPTR-IYJVBRSBSA-N 376.438 -0.730 30 20 GBED N#Cc1ccc(NCCNC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)nc1 806186468 QFMREDZBSQIJDK-LLVKDONJSA-N 398.345 -0.239 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC4(C3)OCCO4)C2=O)cc1 808238145 TYSDZOXWUBXCCA-INIZCTEOSA-N 398.419 -0.249 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(C(=O)O)cc2)CC1 833365806 SFXMDHGZIKMBSZ-UHFFFAOYSA-N 380.426 -0.592 30 20 GBED C[C@@H]1CN(CCC(=O)O)CCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 833626299 PPPWIYJDOGFOOW-IUDBQGPFSA-N 379.417 -0.297 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 844202855 OXOWXRPBVUQWEO-MEDUHNTESA-N 395.441 -0.058 30 20 GBED CC(C)(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCCNC(=O)C1 848959879 UFEQSZFIRMQACH-GFCCVEGCSA-N 394.519 -0.614 30 20 GBED C#CCN(C)S(=O)(=O)CCCCS(=O)(=O)N1CCSC[C@H]1C#N 848969052 VXHAGDQJCDYIEU-CYBMUJFWSA-N 379.529 -0.068 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)NN2CCS(=O)(=O)CC2)cc1 862739404 YKUHELSMBWAJJD-UHFFFAOYSA-N 386.455 -0.746 30 20 GBED NC(=O)NC[C@@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 918591875 FEEYINVLRYQAHL-NSHDSACASA-N 379.442 -0.368 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@H](OC)C2)cn1 946791524 LAWIUXBDBCGPJY-DLTLXFJOSA-N 384.436 -0.080 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc(O)n(C)c1=O 1000573934 JWLWAKONSMUCQI-MFHWUAJNSA-N 388.424 -0.061 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 1024754374 AULANIMKAIGWQJ-TUVASFSCSA-N 391.424 -0.009 30 20 GBED Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nc2)c(=O)n(C)c1=O 1055387488 CJVZVLXESFDECJ-WQVCFCJDSA-N 380.408 -0.110 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nc(O)nc(O)c1OC 1109971905 PCORQWLTCJASMD-VWYCJHECSA-N 377.401 -0.466 30 20 GBED CS(=O)(=O)NC1(CNC(=O)C(=O)NC2CCN(CC#N)CC2)CCCCC1 1117010993 WIYVHOMTEUKYCR-UHFFFAOYSA-N 399.517 -0.541 30 20 GBED CS(=O)(=O)C1(CNC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1 1117622860 JYXXYAYVZLCHQY-UHFFFAOYSA-N 377.422 -0.159 30 20 GBED CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1118944517 JEDZEBJSYXRUHY-ZFWWWQNUSA-N 377.445 -0.078 30 20 GBED COCC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCN(CC(=O)NCC#N)CC1 1162366916 NAUGKNUSRGTUKC-OCABDXPQSA-N 390.484 -0.106 30 20 GBED C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1C 1215551667 VWRYNPDLWCSPSG-YIYPIFLZSA-N 379.461 -0.664 30 20 GBED C#CCN1CCN(C(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)CC1 1252557833 DFHOGGGHYVKNPF-ZDUSSCGKSA-N 398.510 -0.084 30 20 GBED CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 1319043947 YIESQZMWTIXYKC-LBPRGKRZSA-N 382.446 -0.477 30 20 GBED CC(=O)N1CCN(CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 1319786330 SYKHGDWBPGECEI-UHFFFAOYSA-N 389.460 -0.271 30 20 GBED CC(=O)N1CC[C@](C)(C(=O)NCC#CCNC(=O)[C@@]2(C)CCN(C(C)=O)C2)C1 1320397031 BHEOWKZJXLCQTD-PMACEKPBSA-N 390.484 -0.261 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)CCO1 1323303572 BYNHHOGCRHTBGT-ZWKOTPCHSA-N 386.452 -0.203 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)NCc2cccc(OCC#N)c2)O1 1323495343 RFIOKZARCJUNJR-HOTGVXAUSA-N 388.424 -0.043 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)CCN1Cc1ccccc1 1325833421 WTLAKYHJPINFJM-DLBZAZTESA-N 396.451 -0.541 30 20 GBED O=S1(=O)CC[C@H](NN=Cc2ccc(C=NN[C@H]3CCS(=O)(=O)C3)cc2)C1 1328384998 VQKNCUCPJCEVAG-HOTGVXAUSA-N 398.510 -0.092 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2ccccc2)CC1 1329854723 JJOJXCLEVWHYLM-AWEZNQCLSA-N 378.454 -0.583 30 20 GBED CCCCCCCNC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1331062315 KHJLWTBURLUUGK-UHFFFAOYSA-N 394.472 -0.107 30 20 GBED C#CC[C@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC 1334422150 QNUUAVPPWNYUAZ-UKRRQHHQSA-N 396.465 -0.271 30 20 GBED C=CCn1cc(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[nH]n4)cn3)C2)nn1 1573351306 QCACMRAOCGGXHD-NSHDSACASA-N 381.404 -0.167 30 20 GBED N#Cc1cncc(N2C[C@H]3[C@H](CNC(=O)c4ccc(-c5nn[nH]n5)[nH]4)[C@H]3C2)n1 1581878000 RMUGAFCIXOCDGI-CNDDSTCGSA-N 376.384 -0.031 30 20 GBED N#Cc1nccc(N2C[C@@H]3C(CNC(=O)c4c[nH]c(-c5nn[nH]n5)c4)[C@H]3C2)n1 1581884905 GNCGAORFFDXBMC-VXGBXAGGSA-N 376.384 -0.031 30 20 GBED C#C[C@@H](C)N(C)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1C[C@@H]1CCOC1 1588326686 RXOUCUBOJDICOT-NEPJUHHUSA-N 383.420 -0.408 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C1 1588404240 GJLVFMYXTYRAQW-JSGCOSHPSA-N 385.432 -0.178 30 20 GBED C=CCn1cc(C(=O)N[C@H]2[C@@H]3CN(c4cnc(-c5nn[nH]n5)cn4)C[C@@H]32)nn1 1588713135 GLRAMHWEZFSYQB-MSRIBSCDSA-N 379.388 -0.701 30 20 GBED CCn1cc(-c2nn[nH]n2)c(=O)n(CC(=O)N(CC#N)c2ccccc2)c1=O 1590950064 OJFAMRGPHZZQPH-UHFFFAOYSA-N 380.368 -0.233 30 20 GBED CS(=O)(=O)N1CC[C@H](NC(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 1591680253 KVOYZZOTUCMRNI-KBPBESRZSA-N 389.441 -0.301 30 20 GBED N#CC1(C(=O)NCCn2cc(-c3nn[nH]n3)c(O)nc2=O)CCSCC1 1592669603 QCECCASAKYSYGT-UHFFFAOYSA-N 376.402 -0.718 30 20 GBED C#CC[C@H]1CCCN(c2nnc(Cn3cnc(-c4nn[nH]n4)n3)n2CCOC)C1 1602698956 BJIVBURXUSRLPC-ZDUSSCGKSA-N 397.447 -0.016 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[nH]n2)C[C@@H]1O 1602721576 OLVDJPWXNHHJSM-KBMXLJTQSA-N 399.430 -0.231 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)O)C1 1602901854 ZLHHGGHFLNCOIL-NEPJUHHUSA-N 376.417 -0.168 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cn2ccnc2)C(=O)O)c1 1609162336 VFYGNNIDNOXDLO-CQSZACIVSA-N 376.394 -0.322 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCO[C@H](C(=O)O)C1 1610537781 VUSKVOZNTXFUGN-LBPRGKRZSA-N 384.352 -0.302 30 20 GBED CN(C)S(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1617710317 ZINNMQNCWDSQSX-ZDUSSCGKSA-N 391.457 -0.040 30 20 GBED CCOC(=O)c1c(NC(=O)N2C[C@@H](O)[C@H](CO)C2)c(C#N)cn1CCOC 1623545893 STJTWBYFQBQXPE-QWHCGFSZSA-N 380.401 0.000 30 20 GBED Cn1c(=O)[nH]c(N2CCN(CC(=O)NCc3ccccc3)CC2)c(C#N)c1=O 1642028662 ITWPSSZYUPVLOY-UHFFFAOYSA-N 382.424 -0.616 30 20 GBED 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O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1786562246 HEEJRZQPZSPQBJ-BQFCYCMXSA-N 394.431 -0.106 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc4ncccn4n2)C3)CC1 1795408407 AAQURJFPQDNSKD-CLLJXQQHSA-N 381.396 -0.369 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2 1799393437 GEOBPNKOGBLVRX-XLMAVXFVSA-N 396.488 -0.291 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cnc(O)[nH]2)[C@H]1c1cccnc1 1810952998 DVTTWMAAEDBCBZ-BLLLJJGKSA-N 383.364 -0.082 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1812876266 GKKVEGSAUOCVFE-QWQRMKEZSA-N 384.392 -0.546 30 20 GBED Cn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cc1O 1830052986 CCDBRXQHXPXFAJ-GOSISDBHSA-N 391.428 -0.255 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1835362035 BWDZTJCRFKMYGQ-RHSMWYFYSA-N 399.469 -0.676 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3=O)CCO2 1837138414 FCKPJWMYQMQDID-FQEVSTJZSA-N 397.387 -0.475 30 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394.454 -0.974 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)CC[S@](=O)C1 349452748 DNHUPBSYOWEYKF-VJBOLBCHSA-N 399.560 -0.420 30 20 GBED C[C@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1cccc(C#N)n1 349454279 BENKXJPGGIKRCH-AAEUAGOBSA-N 388.471 -0.130 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 349479834 VJUXRMPRVAQTLQ-AHDPXTMNSA-N 391.515 -0.417 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C2(C#N)CCC2)CC(=O)N1 349493715 BHNFILOXLIJNES-LBPRGKRZSA-N 392.503 -0.766 30 20 GBED Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(O)(CC#N)C2)no1 349603693 CLMOITOZQSUVOI-UHFFFAOYSA-N 392.459 -0.205 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 374446321 IMHRZFGUDGYINY-ZIAGYGMSSA-N 378.520 -0.483 30 20 GBED CN(CCNS(=O)(=O)N1CCO[C@@H](C#N)C1)S(=O)(=O)c1cccs1 409494664 QGTSLLJCLHATCC-NSHDSACASA-N 394.500 -0.573 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)NCCN(C)S(=O)(=O)N(C)C[C@@H](C)C#N 410385458 JKOXNDBDEYNIDZ-OLZOCXBDSA-N 394.523 -0.820 30 20 GBED 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COCCN(CCO)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 594539096 MKCMVORZGAWWOQ-LBPRGKRZSA-N 391.471 -0.494 30 20 GBED CN(C)S(=O)(=O)NCCNC(=O)N1CCN(c2cnccc2C#N)CC1 596613418 DAXPYIBTZWAIMP-UHFFFAOYSA-N 381.462 -0.819 30 20 GBED C=CCn1c(-c2cn[nH]c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 624845809 OMXZPXCBLFHECA-UHFFFAOYSA-N 398.431 -0.679 30 20 GBED COc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NCC#N)cc1OC 731238764 GFBZDKQPKUQMFT-UHFFFAOYSA-N 385.398 -0.445 30 20 GBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)NCc2ccc(C(=O)O)cc2)CC1 736076351 MUVNPPSCTBLEOQ-OAHLLOKOSA-N 386.452 -0.244 30 20 GBED C#CCN1CCN(C(=O)CN(C)CC(=O)N2CCC(C(=O)OCC)CC2)CC1 748811578 AEURTEGMUGMFLH-UHFFFAOYSA-N 392.500 -0.503 30 20 GBED O=C(CCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)N=c1cc[nH]cc1 750581304 PDDCJLKJKNGFJT-UHFFFAOYSA-N 387.421 -0.313 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(N)(=O)=O)c(C)o2)CC1 756041086 KSPAZQCMTOPVPA-UHFFFAOYSA-N 382.442 -0.867 30 20 GBED NC(=O)c1ccc(NN=Cc2c(N3CCOCC3)nc3ccccn3c2=O)nn1 756832056 OIFKOZCBKCHMHH-UHFFFAOYSA-N 394.395 -0.134 30 20 GBED CCS(=O)(=O)CCN(C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 759372800 ILEWHFMYSJJCIL-UHFFFAOYSA-N 383.474 -0.130 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](NC(=O)NC3CC3)C2)c1=O 760553176 USHIHJGXPRUNBH-AWEZNQCLSA-N 390.444 -0.963 30 20 GBED C#CCOCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 784451579 IPWFWZWUQYXXFQ-UHFFFAOYSA-N 388.467 -0.364 30 20 GBED CCCCNC(=O)CN1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1 799999998 ZLNIFGJMNSDRRC-UHFFFAOYSA-N 389.522 -0.373 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc(C(=O)OC)cc2)CC1 831579763 OWPSRFLHSKTIMK-UHFFFAOYSA-N 379.438 -0.373 30 20 GBED COC(=O)N1CCC[C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 858176584 CCNADOBEZVSTLR-LLVKDONJSA-N 376.373 -0.382 30 20 GBED N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cnc(C(N)=O)n2)[nH]1 996104141 OEKJTNFZRWSKIN-WXHSDQCUSA-N 382.384 -0.861 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(O)n2C)C[C@H]1O 1023914155 XFTIBRZNXKTFIT-MXYBEHONSA-N 378.429 -0.202 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(OC)ncn2)C[C@H]1O 1023942108 LTXLNHWWPVMPCJ-DCDXPUDHSA-N 376.413 -0.232 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@H]1O 1023942163 NNGABLLLGKAIDP-NHIYQJMISA-N 386.412 -0.593 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nnn(C(C)(C)C)n2)C[C@H]1O 1023942197 POJPASNUDQJOSE-DGAVXFQQSA-N 392.460 -0.289 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCCOC 1109094509 BIULEUQEQHXRMA-KBXIAJHMSA-N 382.461 -0.229 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@H](C)C1 1208619118 AQUQJLOPKUAGLU-YIYPIFLZSA-N 379.461 -0.664 30 20 GBED C#CCNC(=O)CN1CCN(C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 1261544105 HFHZIKDLRCEFMQ-KRWDZBQOSA-N 379.482 -0.510 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCC(=O)NCC3CC3)C2=O)cc1 1323344397 WULAABCZOJNBIH-MRXNPFEDSA-N 397.435 -0.582 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 1324182496 VFIPPCCUFNVFFG-CABCVRRESA-N 394.472 -0.721 30 20 GBED COC(=O)C1(C#N)CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(C)=O)CC1 1331472206 MEWSHODBXXWGMP-AWEZNQCLSA-N 378.429 -0.191 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@@](F)(CO)C3)C2=O)cc1 1342867786 JGWMKGYHKPMSMG-KXBFYZLASA-N 388.399 -0.292 30 20 GBED CCN1CCC(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 1344844236 TXIUYXYYCCTBTR-AWEZNQCLSA-N 385.472 -0.014 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC[C@@H]1N1CCN(C)CC1 1345974164 VZMDXOCAFAOUCU-JTDSTZFVSA-N 377.489 -0.652 30 20 GBED N#CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)N3CCOCC3)CC2)C1 1346888542 HLYFODORXQQMGS-HNNXBMFYSA-N 377.445 -0.265 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc([C@@H]2CCC(=O)N2)n1CC[S@@](=O)CC 1574954762 NPBOKPHHMDUOMS-CEXHIMGSSA-N 390.473 -0.244 30 20 GBED Cc1cc(C#N)nc(N2CC[C@](O)(CNC(=O)CCOCc3cnn[nH]3)C2)n1 1577256736 YZAZJXFCEGUKEW-KRWDZBQOSA-N 386.416 -0.561 30 20 GBED COCC#CCN(CCO)[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1591360276 BWTRJKFIZUOVOI-OAHLLOKOSA-N 387.444 -0.257 30 20 GBED O=C(Nc1cnn(-c2ncccc2-c2nn[nH]n2)c1)N[C@@H]1CCCN(O)C1=O 1606946322 QNPXWGKXWMNQOB-LLVKDONJSA-N 384.360 -0.051 30 20 GBED O=C(O)[C@H](O)C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1608554496 QJTAUMLKZGUNSA-OAHLLOKOSA-N 395.437 -0.201 30 20 GBED COc1ccc(C)cc1NC(=O)CNC(=O)Cn1c(=O)c(C#N)c(C)n(C)c1=O 1652998399 PAJNUIXASSUKJJ-UHFFFAOYSA-N 399.407 -0.201 30 20 GBED C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014579 GSLWGFDYPDECRW-SKXPXTMJSA-N 393.488 -0.201 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1781395444 IKTRGQPVSXBIOO-RHSMWYFYSA-N 378.433 -0.091 30 20 GBED COc1ccnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1 1791076806 JBKIZHKVQWIYLY-NOLJZWGESA-N 387.392 -0.229 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1793343324 RYJNDYMDGOSENW-APIJFGDWSA-N 398.423 -0.634 30 20 GBED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NNC(=O)C2)c1 1797684838 PWXNDHXNJSMTLG-XOIINTDNSA-N 381.392 -0.363 30 20 GBED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1829865075 IQNLUCXFIIFFKU-RVSPLBMKSA-N 387.502 -0.324 30 20 GBED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831214993 GABPHTSZKXXKGO-YWZLYKJASA-N 391.468 -0.277 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1831392956 ITPLVPYYEAENFS-GJYPPUQNSA-N 377.441 -0.991 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1831425285 SJFQHEGCQMCOJG-LPHOPBHVSA-N 392.456 -0.069 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1831492774 OEJFVVWZCYJVBI-RDJZCZTQSA-N 397.501 -0.311 30 20 GBED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)CNC(=N)N)CC2)CC1 1833490320 KAPMVKXVCAUEGX-INIZCTEOSA-N 398.577 -0.005 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834440738 DLHVICQLSZHWQQ-BEFAXECRSA-N 390.440 -0.472 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1834756283 VDFXUWDJWVSSJV-IBGZPJMESA-N 398.423 -0.199 30 20 GBED COCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1834972628 YNCDYOXWKZVBCZ-HXUWFJFHSA-N 394.468 -0.212 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1840842453 HDIBXOANILXDFE-HNAYVOBHSA-N 394.472 -0.436 30 20 GBED CN(C)C(=O)C/N=C(/NCC(=O)N(C)C)N1CCC[C@H](C2(C)OCCO2)C1 262269926 GNYVHCVXGGHVNH-AWEZNQCLSA-N 383.493 -0.417 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2ccc3c(c2)CC(=O)N3C)c1=O 264299088 UZTFHOLYTOAMEX-UHFFFAOYSA-N 396.403 -0.055 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 266526582 ITYWQCVWTOPSKL-UHFFFAOYSA-N 383.401 -0.120 30 20 GBED C#CCOc1ccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 274686699 OMGZRNNPNQQKKH-IRXDYDNUSA-N 378.450 -0.386 30 20 GBED N#Cc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)O)ccc1F 275086525 JOKHJUKYCIQVHD-SNVBAGLBSA-N 376.387 -0.040 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O)c1cc[nH]n1 276599053 OBXGYGMDZSADFF-OHARDZCESA-N 379.373 -0.654 30 20 GBED N/C(=N\OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CCCO1 284092460 KYJYRWMYOMJWIN-HNNXBMFYSA-N 396.469 -0.013 30 20 GBED N#Cc1cncc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 289824504 OHCDXYMIHMCDDE-UHFFFAOYSA-N 377.426 -0.591 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCNC(=O)C3)cc2)C1=O 299562319 SJQQOQIKTDIWRW-UHFFFAOYSA-N 385.380 -0.462 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCOCC2=O)CC1 329844960 LPJDDTZVGIRWQE-UHFFFAOYSA-N 392.437 -0.750 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 330391333 HOJUPUBUWZDORO-LIRRHRJNSA-N 391.472 -0.277 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](N2CCCC2=O)C1 349459757 HSQFHTLLYNXWNO-STQMWFEESA-N 392.503 -0.766 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CCN(C3CCC3)CC2)CC1 349514131 ZDIOAWJTQYXIDL-UHFFFAOYSA-N 390.531 -0.148 30 20 GBED COCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCO[C@H](C#N)C1 409505534 YEMYHHCBGZJPCF-CVEARBPZSA-N 396.469 -0.581 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCCNS(=O)(=O)c2cccs2)CCO1 409509636 QMJNQMBRUYFSFY-SNVBAGLBSA-N 380.473 -0.915 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@@H](CC)C(=O)OC)CC2)C1=O 410882212 GWRJDUUMJDNMCK-GJZGRUSLSA-N 394.472 -0.673 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCO[C@@H](CN)C3)C2)c(F)c1 418857794 UCCFHVKBNMQSCB-GJZGRUSLSA-N 389.431 -0.032 30 20 GBED Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC2)no1 422476759 ADQIOGGNYVJOGQ-UHFFFAOYSA-N 390.444 0.122 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H](CO)[C@@H]3CCCO3)n2)c(F)c1 448382692 HFIZTRQJFZLCMT-ZFWWWQNUSA-N 387.371 0.478 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)NC1(C#N)CCCCC1 497567087 FMFQRGPDXOATHR-AWEZNQCLSA-N 380.445 -0.291 30 20 GBED N#Cc1cccc(C2(C(=O)N3CCN([C@@H]4CS(=O)(=O)C[C@H]4O)CC3)CC2)c1 526072398 FXXKGYOCKSXPPU-IAGOWNOFSA-N 389.477 -0.108 30 20 GBED C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)S1(=O)=O 573500862 UZASKUZFVXNLQY-TXEJJXNPSA-N 385.467 -0.129 30 20 GBED N#Cc1ccc(N2CC[C@@H](C(=O)NCCOCCS(N)(=O)=O)C2)c(F)c1 598736105 ZVMJVRCURCQMPE-CYBMUJFWSA-N 384.433 -0.055 30 20 GBED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669804754 QXLOSBVBLBPDQD-UHFFFAOYSA-N 397.505 -0.372 30 20 GBED Cc1ccccc1C=c1sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c1=O 727164148 LVXYZYADAFVOQT-UHFFFAOYSA-N 388.474 -0.206 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)CC1 728535112 ZKIMHQCJAJNWHU-UHFFFAOYSA-N 389.481 -0.294 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)CC1 728573081 KABBINPWONWKPG-CVEARBPZSA-N 377.489 -0.242 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)COc2ccccc2-c2nn[nH]n2)CC1 735379973 ATRBNMATLDHEFN-UHFFFAOYSA-N 383.412 -0.861 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 767497029 WZFUDOPHUDSANZ-WDEREUQCSA-N 376.431 -0.088 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(F)cc(C(=O)OC)c2)CC1 782433601 DJXPXSUOSAPPNO-UHFFFAOYSA-N 397.428 -0.332 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 785163115 AOHOHTYOGHUZTB-KBPBESRZSA-N 391.428 -0.777 30 20 GBED CNC(=O)NCCC(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 795639710 HZVQPXDYKJBQSS-UHFFFAOYSA-N 378.389 -0.634 30 20 GBED C#C[C@H](NC(=O)C(=O)NC1CCN(C2CCN(C)CC2)CC1)[C@H]1CCCO1 804009674 XQHWNIFCEIRWHP-ZWKOTPCHSA-N 376.501 -0.042 30 20 GBED C#CCNC(=O)CN1CCN([C@@H](C(=O)OC)c2cccc(-c3nn[nH]n3)c2)CC1 819701236 AEPYGVPXHYWPES-QGZVFWFLSA-N 397.439 -0.552 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)c(F)c2)CC1 872515526 PIECUQQACXUKLW-UHFFFAOYSA-N 375.447 -0.092 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cn3cc(C)ccc3n2)CC1 892216292 IBMWBRWCVMEQFW-UHFFFAOYSA-N 390.469 -0.062 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 912686520 YKWWNVNWWSOGAJ-GFCCVEGCSA-N 393.421 -0.898 30 20 GBED C#Cc1cccc(NC(=O)CNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1 916703616 NEEFVVZCVCCBFQ-UHFFFAOYSA-N 391.387 -0.018 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 968865054 KSJAFTBMWDKMPJ-OYNZBZHQSA-N 391.424 -0.334 30 20 GBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C)nn1 988064196 MPZACODGPXYQOU-UVLXDEKHSA-N 376.417 -0.784 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ccc(O)nc1=O 1000562507 BVJNVTWWBLGMQL-MRLBHPIUSA-N 388.424 -0.212 30 20 GBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2C(=O)CNC2=O)c1 1000632106 DCSAASABUAXIQQ-ILXRZTDVSA-N 381.392 -0.524 30 20 GBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2nnc(O)nc2O)c1 1004570250 IOFZZHILJZTVOZ-UPJWGTAASA-N 380.364 -0.165 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1O 1023960396 JJAXKSLRJCFHGR-FPCVCCKLSA-N 377.445 -0.583 30 20 GBED C=CCOc1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2O)cc1 1024265370 MUTRHNIPSMENPK-YYIAUSFCSA-N 387.436 -0.397 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc3nccc(C)n3n2)C1 1025714161 DRSMGUINUNUMOF-SYQHCUMBSA-N 386.412 -0.675 30 20 GBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C2)nn1 1041385984 OSCGWFMMIOAOKZ-DNNBLBMLSA-N 383.412 -0.684 30 20 GBED CCc1nc(C#N)cc(N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@H](OC)C2)n1 1042972079 XIXNOGNMMZYPAX-GBJTYRQASA-N 386.456 -0.045 30 20 GBED N#Cc1cncc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2cc(=O)n3[nH]cnc3n2)n1 1055364870 CPBLGRRFFAOLEE-WZRBSPASSA-N 377.368 -0.381 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]2O)O1 1083776223 IWOSNJGFKJXEMB-HCXYKTFWSA-N 385.464 -0.165 30 20 GBED CN(CC[C@H]1CCCCN1C)C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1117318649 YHIXQIHRSXYDBV-UPTRSRDDSA-N 391.472 -0.038 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC2CC2)C[C@@H]1n1ccnn1 1129267022 VARPERUYMCOEPC-NCOADZHNSA-N 388.472 -0.263 30 20 GBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 1194624779 DCDVGXVDRFFTAE-ROYATCLZSA-N 384.436 -0.472 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NCCCN(C)S(=O)(=O)CC)n1 1321598679 OUORKAOKRHFAGG-UHFFFAOYSA-N 397.501 -0.347 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1)[C@@H]1CCCO1 1323379342 UYXRRARAYBXNPC-CVEARBPZSA-N 393.465 -0.481 30 20 GBED CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1323481079 BOFOPINGZFZHQG-ZDUSSCGKSA-N 393.469 -0.459 30 20 GBED CCNC(=O)N1CC[C@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1325494780 HRMAZBGUCVREJG-HNNXBMFYSA-N 399.455 -0.478 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H]1CN(C)CCN1C 1325503613 MVIYWLRVPVTWCR-HNNXBMFYSA-N 396.455 -0.252 30 20 GBED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 1332157639 UIBWIBZZMGDMSV-AWEZNQCLSA-N 399.451 -0.068 30 20 GBED COCCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)CC1 1344857410 XJVHYFHFTHYHGC-GOSISDBHSA-N 379.461 -0.955 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N(C)C1CCN(OC)CC1 1351584372 MGTNYBSGRZPJDD-UHFFFAOYSA-N 389.460 -0.010 30 20 GBED COc1cc(C#N)ccc1Cn1c(=O)c(-c2nn[nH]n2)c(C)n(CCO)c1=O 1571217972 JSEDOACTXXVGLA-UHFFFAOYSA-N 383.368 -0.581 30 20 GBED C[C@@H](C#N)C(=O)N1CCN(CCN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1573570903 WIELJHYVGMFCNB-LBPRGKRZSA-N 385.432 -0.429 30 20 GBED C[C@@]12CN(CC(=O)NCC#N)C[C@@H]1CN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 1580391662 DWFIGBFKQUUFCB-PXAZEXFGSA-N 383.416 -0.772 30 20 GBED N#C[C@@]12CN(C(=O)CNc3ccc(-c4nn[nH]n4)cc3)C[C@H]1CS(=O)(=O)C2 1581859739 SMUWIIBFFXZCHO-LRDDRELGSA-N 387.425 -0.325 30 20 GBED C#C[C@H](NC(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O)c1ccc(F)cc1 1588329580 JSHYQACWULDCNA-ZDUSSCGKSA-N 398.358 -0.058 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(O)(C(=O)O)CC1 1593330571 KOQIPHUGZMBNMO-LLVKDONJSA-N 381.410 -0.337 30 20 GBED COC(=O)C1CCC(NS(=O)(=O)N2CCO[C@@H](C#N)C2)(C(=O)O)CC1 1598788013 VSJBKOPFMMMBLX-CVZZAPKMSA-N 375.403 -0.768 30 20 GBED C#CC1(O)CN(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)C1 1602691035 QBXJAMVAPGCLGH-AWEZNQCLSA-N 381.396 -0.643 30 20 GBED CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H](CCC#N)C(=O)O)c1 1777036108 PMXBCORIMNMHHA-GFCCVEGCSA-N 375.428 -0.028 30 20 GBED CC(C)(C)n1cc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nn1 1780356509 FSWLKQNDGCIGHK-SFHVURJKSA-N 389.412 -0.435 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1786573227 XCWIWURUDAKYFA-UVPYHEFZSA-N 393.484 -0.182 30 20 GBED N[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)c1ccccn1 1791076069 LICMEULHGQPEGS-BWQRHGBYSA-N 386.408 -0.851 30 20 GBED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793940833 IJRQMZGMXYTLRN-GGFUIZRSSA-N 398.485 -0.872 30 20 GBED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793945931 BXXASIIXNASPMQ-UMPJEAMMSA-N 390.440 -0.632 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(N(C)C)o1 1794601429 QTHQQIRZZOYEDN-HGTKMLMNSA-N 390.440 -0.018 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC)NC(N)=O)C2 1797710274 IRLDZLQHHYTGRK-ZQNQSHIBSA-N 396.488 -0.404 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1 1801439551 JHPGYPLNCVBPJH-ARILJUKYSA-N 393.448 -0.375 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806823337 CADMFNQSUWYYPJ-PMUMKWKESA-N 384.392 -0.546 30 20 GBED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)n4[nH]nnc4n3)sc2C1 1816674375 QDYLJKAPUGFVNG-SSDOTTSWSA-N 384.381 -0.872 30 20 GBED N#CCCC(=O)N[C@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825323826 OKLRZMSPOGQTLS-LBPRGKRZSA-N 395.485 -0.355 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831013937 ZWZYHTJSPUDEGH-SFHVURJKSA-N 394.428 -0.555 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1831391359 NYDDEEQXYYXAHR-KSSFIOAISA-N 376.413 -0.482 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncon3)C2)C1 1831425714 DEQPOPRCTDHRTJ-GUYCJALGSA-N 380.401 -0.269 30 20 GBED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834767413 ICPBAXITNHKNSM-CRAIPNDOSA-N 380.445 -0.339 30 20 GBED Cc1cnn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c1 1840159388 BJCZNOYCRVUDGU-PBHICJAKSA-N 382.486 -0.034 30 20 GBED Cc1noc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)n1 1840159736 MFYDAFJWOTYQQP-BDJLRTHQSA-N 384.458 -0.305 30 20 GBED C[C@H](CC(N)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812273 IHEQUDSOUGGCOK-AUUYWEPGSA-N 392.456 -0.352 30 20 GBED CCOCCS(=O)(=O)NCC(=O)N1CCN(c2ccc(C#N)cn2)CC1 268152026 MMRQNSBKBYWKAW-UHFFFAOYSA-N 381.458 -0.442 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1 269966230 RFJOBZNJVUUJOY-CYBMUJFWSA-N 399.494 -0.391 30 20 GBED CNS(=O)(=O)c1cccc2c1CCN(c1c(C#N)c(=O)n(C)c(=O)n1C)C2 286586186 WTQUHDKFHOTDRR-UHFFFAOYSA-N 389.437 -0.574 30 20 GBED C[C@H]1C(=O)NCCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 288807272 GJFXTHFKLOFQLU-WFASDCNBSA-N 383.408 -0.483 30 20 GBED C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 288993666 YOWCDQQEJXWHOG-GOEBONIOSA-N 387.440 -0.088 30 20 GBED C[C@H](CN1CCN(C)CC1)/N=C(/O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1 329134447 QBHARSMEGMSQCW-APWZRJJASA-N 381.521 -0.014 30 20 GBED C[C@@H](C(=O)N1CCCC1)N1CCN(/C(O)=N/CC(=O)N2CCOCC2)CC1 329203944 CYCYSGSIXMMQFK-HNNXBMFYSA-N 381.477 -0.612 30 20 GBED Cc1ccc(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)cc1S(=O)(=O)NCC#N 332201890 IBCIHYYHKVOSOO-HUUCEWRRSA-N 378.454 -0.048 30 20 GBED C=CCOC[C@H]1NC(=O)N(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 348379733 GBQJULFFYHKZBW-CYBMUJFWSA-N 398.397 -0.004 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](Nc2ncccn2)C1 349461793 XEAIGDJOGXEZMT-GFCCVEGCSA-N 388.475 -0.874 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CN(C)C[C@@H]2C1 349506200 WYYCRVYFIJFVNW-OKILXGFUSA-N 378.520 -0.625 30 20 GBED CCOC1CC(CNc2c(C#N)c(=O)n(C)c(=O)n2C)(N2CCOCC2)C1 375518314 CBAFBCLWLIHQOM-UHFFFAOYSA-N 377.445 -0.363 30 20 GBED CCN(CCC#N)S(=O)(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 409593868 FRGLKYMLRDSKDA-UHFFFAOYSA-N 393.469 -0.171 30 20 GBED CC[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1cccc(S(N)(=O)=O)c1 410144039 UYMIYPMTHDKIIA-TZMCWYRMSA-N 388.471 -0.156 30 20 GBED COc1cc(C[C@H](CO)CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc(OC)c1 410147554 LWWFCKDAQXLNSO-YOEHRIQHSA-N 399.469 -0.086 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ncn(CC(=O)OCC)n2)cc1 425105649 ZLGPJXXYCHLADZ-UHFFFAOYSA-N 393.425 0.558 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 430388632 YMRUHGTZXOQLKL-ZNMIVQPWSA-N 387.502 -0.128 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCC(=O)NCCN1CCCCCC1 431609919 OZTXEMGXZCCKEV-UHFFFAOYSA-N 389.522 -0.325 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](N3CCNCC3)C2)cc1 515174420 NEBRAVBNQQDCDA-OAHLLOKOSA-N 377.470 -0.657 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(CS(N)(=O)=O)CC2)CC1 540348489 PVWWVQJHKHVSJE-MRXNPFEDSA-N 385.534 -0.321 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccc(C#N)c1 545465864 VUFZLXMHJDAUIT-AWEZNQCLSA-N 381.410 -0.373 30 20 GBED N#Cc1cncc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 579778423 SYWKMVSANGVBCF-UHFFFAOYSA-N 397.438 -0.222 30 20 GBED CC[C@@H](CNS(C)(=O)=O)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 590771455 GECGGCRCOXCGSO-LBPRGKRZSA-N 388.471 -0.719 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@@H](C)C[C@H]3CN)CC2)c1C#N 596002113 ROJMEIAMCZHBRV-HIFRSBDPSA-N 387.488 -0.165 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)cc1 603908998 OKZSGJCBRGKUBK-UHFFFAOYSA-N 385.409 -0.445 30 20 GBED N#Cc1cccnc1-n1cc(NC(=O)N2CC(n3cc(C(N)=O)nn3)C2)cn1 613500701 OGYJFPLYIKEQIP-UHFFFAOYSA-N 378.356 -0.082 30 20 GBED C#CCNC(=O)CN1CCN(C[C@@H](O)COc2ccc(NC(C)=O)cc2)CC1 728570567 FKXXHNZXQTUALL-GOSISDBHSA-N 388.468 -0.248 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)OCCCN2C(=O)CNC2=O)cc1 733451456 PIXDKTRTLWPVEI-UHFFFAOYSA-N 379.394 -0.042 30 20 GBED C#CCN1CCN(C(=O)CN2CCCN(CC(=O)N3CCCC3)CC2)CC1 748815690 ORKMKFMVPKZGRU-UHFFFAOYSA-N 375.517 -0.606 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 761029013 MNYRXJGJGILRGH-INIZCTEOSA-N 392.481 -0.809 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1 772634130 HVDJMPURPFWETJ-UHFFFAOYSA-N 393.391 -0.499 30 20 GBED Cc1nn(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c(=O)c(-c2nn[nH]n2)c1C 826334149 JUUJKZMCQTWPFL-CQSZACIVSA-N 399.459 -0.267 30 20 GBED N#CCN(CC(=O)O)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 833065676 FILJNMBVAVIKHI-UHFFFAOYSA-N 398.416 -0.431 30 20 GBED Cn1c(=O)c2cc(C(=O)NS(=O)(=O)CC(C)(C)C#N)sc2n(C)c1=O 835276989 WUOKBBIIUXTLPN-UHFFFAOYSA-N 384.439 -0.092 30 20 GBED CN1CC[C@@H](C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)S1(=O)=O 842804878 QUZBHTOPPJBJBH-NSHDSACASA-N 388.383 -0.695 30 20 GBED CCS(=O)(=O)CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 848931355 JINJOXBIKYRFKS-UHFFFAOYSA-N 395.484 -0.799 30 20 GBED CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@@]1(C)CCOC1=O 848963624 XHPGMIYUMCTXKT-UONOGXRCSA-N 393.487 -0.387 30 20 GBED C#CCN1CCC[C@H](NC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 890366553 AZBLXELOFOMYSY-IRXDYDNUSA-N 398.529 -0.080 30 20 GBED Cn1c(C=NNS(=O)(=O)Cc2ccccc2)nc2c1c(O)nc(=O)n2C 920383733 JUEUXGHXSSGXON-UHFFFAOYSA-N 376.398 -0.174 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)c(O)n2)C1 970328928 JIZLQBJRSSUHLB-NEBZKDRISA-N 378.429 -0.202 30 20 GBED C#Cc1ccc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)[C@@H]3C2)nc1 975192262 SPKXYBSCOKAVIE-MXASKKJJSA-N 382.420 -0.231 30 20 GBED N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cn(CC(N)=O)nn2)c[nH]1 996126279 MMMSRGHHJHYOGZ-DYEKYZERSA-N 382.384 -0.861 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2CCNC(=O)C2)cc1 999123203 NVXWOYLSSPJXGZ-SQNIBIBYSA-N 380.448 -0.039 30 20 GBED COc1ccc(C#N)cc1CN1C[C@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1083784658 HQIUWSBUPKQAIU-HZMVEIRTSA-N 386.452 -0.048 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1COCCN1C 1109157842 CHRCRHKALULJPO-CBBWQLFWSA-N 379.461 -0.950 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NCC 1110679006 LYSGEPJJJNCODA-WCVJEAGWSA-N 375.473 -0.349 30 20 GBED C=CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]2C1 1221810244 LIKDUWRAJRHOAG-LVQVYYBASA-N 378.473 -0.543 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCCS(=O)(=O)c2ccccc2)nn1 1261446157 RTQUATJPQXWIGT-UHFFFAOYSA-N 377.426 -0.330 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N1CCN(CC(=O)NCC)CC1 1322617711 FVAWLXBNELOFQH-UHFFFAOYSA-N 386.452 -0.405 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCC(CCCO)CC1 1322696164 UNYOZMMQPKLABV-NXVVXOECSA-N 378.429 -0.360 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCn3cncn3)C2=O)cc1 1323375444 LJXCUVLZRDQVIQ-OAHLLOKOSA-N 381.396 -0.817 30 20 GBED Cc1nccn1CCNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1341166440 YHMIRBDYFZELQL-ZDUSSCGKSA-N 382.428 -0.293 30 20 GBED C#CCO[C@@H](C)C(=O)OCCN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 1346986254 BQGHLBSQNHAUGZ-AWEZNQCLSA-N 376.413 -0.880 30 20 GBED N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)C(=O)N1CCS(=O)(=O)CC1 1515065970 DAIBNWPAKNHMNP-KGLIPLIRSA-N 381.454 -0.399 30 20 GBED C#CCN1CCC(C(=O)N[C@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1573282945 NVWZZSLDKNSCNK-GFCCVEGCSA-N 384.444 -0.226 30 20 GBED C[C@H](C#N)C(=O)N1CC(N2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1 1573562347 SPCMHCPAQCYOCF-LLVKDONJSA-N 383.416 -0.677 30 20 GBED C#CCNC(=O)[C@H](C)N1CCC(N(C)C(=O)CCOCc2cnn[nH]2)CC1 1574985841 MJNKCNIQQZLRNQ-AWEZNQCLSA-N 376.461 -0.228 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CCC[C@@H]2CNCC(=O)NCc2cnn[nH]2)c1 1575032436 CUJVUDWJETWWKQ-RHSMWYFYSA-N 381.440 -0.015 30 20 GBED C#CC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1)C(=O)OC 1588334246 RETHPNPFVARVEI-JSGCOSHPSA-N 382.380 -0.099 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2O)cn1 1588368713 XGYDRFPEQMDAPH-DZGCQCFKSA-N 391.395 -0.597 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[nH]n2)cn1 1588403978 AVYSQHDWUHRATA-ZIAGYGMSSA-N 388.432 -0.378 30 20 GBED Cn1c(N2CCN(c3ccsc3-c3nn[nH]n3)CC2)c(C#N)c(=O)n(C)c1=O 1592553724 WXMLMGSMPYXQQG-UHFFFAOYSA-N 399.440 -0.476 30 20 GBED N#CCNC(=O)CN[C@@H]1CCCCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1592678246 RZOJENKUPZNDOS-CYBMUJFWSA-N 385.432 -0.191 30 20 GBED C=CCNC(=O)CN1CCCO[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1602862690 GPMGWCKFXBDMQJ-GFCCVEGCSA-N 388.432 -0.682 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779107471 VIPJLQGERGDPGM-SKTBVBMLSA-N 393.396 -0.567 30 20 GBED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3C[C@H](O)CN3)C2)CC1 1780598390 NHYYJZXQPDAIQH-XTDOFWJNSA-N 376.457 -0.473 30 20 GBED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)C2 1782181563 UFYCHZWSPUXANC-IPJQOSJUSA-N 386.518 -0.589 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1784501543 VEUJADSWFZMRKE-UGUYLWEFSA-N 393.488 -0.603 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)c3ccccc3)[C@H]2C1 1786668823 AWQRCFFGSUYUQS-FPXQBCRKSA-N 386.404 -0.212 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncn1)C2 1795598367 OCEIUUQVJYOLDS-MIFYACCESA-N 386.456 -0.038 30 20 GBED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)CN)C3)c1 1798576933 NRIQCDOHZBSIKD-FSDCSDTHSA-N 387.440 -0.944 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778497 FICOJURGKHOMLN-FVCICTRLSA-N 378.381 -0.827 30 20 GBED C[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907586 KZCOFBPEKGIQJT-MGPUTAFESA-N 387.436 -0.062 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1831394233 ZPAVEUSJBXZCFU-KBXCAEBGSA-N 391.428 -0.779 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)C1 1839076313 KNHPBYGKXABDNC-TXPKVOOTSA-N 379.457 -0.868 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839625179 HAVDHBUPHAYZKR-GOSISDBHSA-N 387.371 -0.428 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1840157250 JLXRGWICQGTXGF-BLLLJJGKSA-N 387.458 -0.787 30 20 GBED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1840178440 IROXIHXVMSOEGO-QZTJIDSGSA-N 397.428 -0.638 30 20 GBED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)n1cncn1 1840415135 SDBOHJVCQNIICQ-KBXCAEBGSA-N 390.444 -0.155 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CSCC(=O)O)C1 1846389433 NRMRXTYXJVFFLF-PLNGDYQASA-N 381.454 -0.134 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H](NC)C(=O)O 1847261606 WLVXOSKFNFEWLQ-ZXIRTSTFSA-N 378.429 -0.891 30 20 GBED CCc1nsc(N2CCN(/C(=N\C)NCCNS(C)(=O)=O)CC2)n1 261686175 DPHMUULKQLZGAW-UHFFFAOYSA-N 375.524 -0.653 30 20 GBED C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)N(CCC)CCC)CC1 277160221 IDGBSMFEUOLXOC-UHFFFAOYSA-N 389.522 -0.017 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCC[C@@H](O)[C@H]1C(=O)OC)c1cc[nH]n1 278282327 GQMAQQRUBXJROA-DMJZEWFFSA-N 382.373 -0.782 30 20 GBED CS(=O)(=O)C1(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCC1 290821926 HEEGFZALXAXBMS-UHFFFAOYSA-N 385.467 -0.080 30 20 GBED CN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NC2(C#N)CC2)CC1 349474802 WCFLLXYMOCPKKN-UHFFFAOYSA-N 384.483 -0.043 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N1C[C@]2(CCCO2)[C@H]1C1CC1 349475829 GEWITDBXLGAPTB-ZIAGYGMSSA-N 377.488 -0.207 30 20 GBED Cc1nc2ccc(NS(=O)(=O)CCCS(=O)(=O)N3CC(C#N)C3)cn2n1 349508204 WLWFGFHKYSUMQC-UHFFFAOYSA-N 398.470 -0.045 30 20 GBED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 373135758 AHRAOLSPSIXTQW-GFCCVEGCSA-N 396.473 -0.012 30 20 GBED C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCN1c1nccn2cnnc12 409514247 ASXGPXAKYCGARV-CHWSQXEVSA-N 392.445 -0.896 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCCS1(=O)=O 484122580 HKTOKUHBMHBURG-RISCZKNCSA-N 385.467 -0.082 30 20 GBED N#C[C@H]1CN(C(=O)NCCN2C(=O)CNC2=O)C[C@]12C(=O)Nc1ccccc12 514024424 KKGVVBQHWHUEEN-VOJFVSQTSA-N 382.380 -0.407 30 20 GBED C[C@@H](C(=O)N1CCOCC1)N1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 566245446 KFWMFLOTRJGWCY-HNNXBMFYSA-N 383.456 -0.034 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CN(C4CC4)C[C@H]3C)CC2)c1C#N 578244472 QKHJMQCBWLJLMB-DYVFJYSZSA-N 399.499 -0.152 30 20 GBED COCCNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 599942802 CFLPSHUZPMEFQU-CYBMUJFWSA-N 396.425 -0.699 30 20 GBED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)c1 608911958 WYSZOUKAFYQZLO-UHFFFAOYSA-N 396.472 -0.206 30 20 GBED N#C[C@@]1(F)CCN(CC(=O)N2CCN(C(=O)CN3CC[C@](F)(C#N)C3)CC2)C1 615646912 QRWZNIALTOEHRS-ROUUACIJSA-N 394.426 -0.468 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)CCOC)cc1 646952036 WRZGOFWJELNYHQ-CQSZACIVSA-N 382.438 -0.064 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1CC 743727517 PFEXHQLGCISFDF-UHFFFAOYSA-N 387.465 -0.422 30 20 GBED CC(C)OCCS(=O)(=O)NCC(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1 748145410 KEYYBAXYMXBXTD-HNNXBMFYSA-N 383.426 -0.028 30 20 GBED C#Cc1cccc(NC(=O)CN(C)C(=O)Cn2cc(S(N)(=O)=O)cn2)c1 748560252 IZVSSVVCZRAFRE-UHFFFAOYSA-N 375.410 -0.391 30 20 GBED C#CCOCCC(=O)OCCN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 756537766 DPFYYTOFNGMOBG-UHFFFAOYSA-N 376.413 -0.879 30 20 GBED N#CCOc1cccc(CC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 760377533 ANYHAQJHRZXVDH-UHFFFAOYSA-N 398.419 -0.049 30 20 GBED C#CCNC(=O)c1ccccc1NCC(=O)NCCCN(C)S(C)(=O)=O 762796010 CJPFLFJVWPCGHO-UHFFFAOYSA-N 380.470 -0.141 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)C2CCN(C(=O)OC)CC2)C1=O 776976543 AETJNTBJIXAOFH-LLVKDONJSA-N 380.401 -0.054 30 20 GBED CCOc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1F 782251214 ASLPUCGYSGOROG-UHFFFAOYSA-N 384.389 -0.066 30 20 GBED C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 784850084 NDAFLAATTGMHPB-LLVKDONJSA-N 383.401 -0.077 30 20 GBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)[C@@H]1CCCO1 805186489 JZNQUJGRPLZLMF-KMFMINBZSA-N 384.436 -0.223 30 20 GBED O=C(O)CN(CCN1CCOCC1)C(=O)CCN/C(O)=C1/N=CC=CC1=O 833248648 XLJNEAFOPNJKIP-MSUUIHNZSA-N 380.401 -0.852 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC[S@](C)=O 848957034 WBJSMOPLGJFBGT-SAHAZLINSA-N 393.512 -0.124 30 20 GBED C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CN(C)CCN1C 896577608 QDHQXQSECVSSGJ-DZGCQCFKSA-N 393.513 -0.134 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1O 964192965 JAIYERMTAHTEHF-FQLMCAECSA-N 378.433 -0.878 30 20 GBED C=CCn1cc(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(=O)N(C)C)[C@@H]3C2)nn1 975220936 DBAZXDDZBQEJBB-HGTKMLMNSA-N 386.456 -0.139 30 20 GBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@@H]2CCS(=O)(=O)N2)c1 1002884138 PVEOBWKVKKAMGI-CZXHOFHRSA-N 377.426 -0.560 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1003633501 IWFHZMHRAOWCMR-XLAORIBOSA-N 375.469 -0.290 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1O 1023941900 GHMNHEYABOBWOH-HWMZRRJGSA-N 375.425 -0.332 30 20 GBED C=CCNc1nnc(S(=O)(=O)CC(=O)N[C@@H]2CCS(=O)(=O)C2)s1 1116744923 ZAKRVYIOIQMRBA-MRVPVSSYSA-N 380.473 -0.787 30 20 GBED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(OCC#N)cc2)C1 1117295909 JIEMBCNIYCSJRK-OAHLLOKOSA-N 394.453 -0.255 30 20 GBED C=CC[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1)c1ccncc1 1118625293 ZOMAENKXCAPFOU-OAHLLOKOSA-N 395.485 -0.234 30 20 GBED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(CC(N)=O)CC3)C2=O)cc1 1319178681 XJRGHRGLLSBABY-OAHLLOKOSA-N 398.423 -0.607 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(-n2nnnc2C)c1 1320016749 HPAMUDCIUWWZLD-UHFFFAOYSA-N 378.414 -0.374 30 20 GBED C[C@@H]1C[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C(=O)N1c1cnn(C)c1 1322236756 RZNSBAUNBGWNQG-JUZOZWJJSA-N 386.412 -0.053 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 1322750372 LFNBKYITAAKJNE-UHFFFAOYSA-N 395.463 -0.115 30 20 GBED CCc1cc(CNC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n[nH]1 1323401372 XBPPJLBYBFZBLV-LBPRGKRZSA-N 382.428 -0.013 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CC[C@@H]2OCCC[C@H]2C1 1323420566 NJQUMVCSXLNABO-DOJSCEOXSA-N 376.413 -0.344 30 20 GBED C[C@@H](Cn1cccn1)NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1325296098 GHDLEBVIQDWKFO-UONOGXRCSA-N 382.428 -0.213 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 1329184180 VWULNJBDGILZHX-UHFFFAOYSA-N 387.527 -0.114 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c1cccs1)[C@@H]1CCCO1 1329626999 SHBCHOQSZSDCDS-RYUDHWBXSA-N 385.467 -0.560 30 20 GBED CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)NCC#Cc2ccccc2)CC1 1329891401 MDVFMVMENJEOOG-UHFFFAOYSA-N 384.436 -0.649 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 1347567456 MJGAIPMRGJJYRY-STQMWFEESA-N 378.429 -0.373 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2CCC2(CSC)CC2)CC1 1352592057 NRGOKFMZENLADP-UHFFFAOYSA-N 399.546 -0.204 30 20 GBED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCOC1 1541106422 WFBGERKEPVFYMH-LALPHHSUSA-N 386.478 -0.364 30 20 GBED N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1555994857 ZWEMZUDZQBJZJW-XQQFMLRXSA-N 394.457 -0.607 30 20 GBED C#CCNC(=O)CN[C@@H](C)[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588354595 QXBIODFSIDCMJH-QWHCGFSZSA-N 384.444 -0.226 30 20 GBED C=CCN1CC[C@@H](NCCN(CCO)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1=O 1588657215 HZXHVHQFBSYEEM-CYBMUJFWSA-N 388.432 -0.994 30 20 GBED CN(CCOCCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1cncc(C#N)n1 1591111096 YJHWRCHRZHYWSN-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED Cc1nc(C#N)c(-c2nn[nH]n2)n1CC(=O)NC[C@@H]1CN(CC(C)C)CCO1 1592340544 HWALYMXIQRASQH-CYBMUJFWSA-N 387.448 -0.284 30 20 GBED N#CCSCC(=O)N1CCO[C@@H](CNc2ccc(-c3nn[nH]n3)nn2)C1 1592680719 YAWQNHYRVFMTKY-JTQLQIEISA-N 375.418 -0.447 30 20 GBED C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCNS(C)(=O)=O 1596841895 RJXBVOCNJBMWEE-LBPRGKRZSA-N 383.478 -0.454 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3nn[nH]n3)ccc2F)CC1 1602727182 WGUJYTKGWVEVDL-UHFFFAOYSA-N 393.404 -0.769 30 20 GBED C#CCOCCC(=O)N(C)C[C@@H](O)CN(C)c1ncc(-c2nn[nH]n2)cc1F 1602727281 MJXDHAWHVJGJJP-CYBMUJFWSA-N 391.407 -0.304 30 20 GBED N#C[C@@]12CN(S(=O)(=O)c3ccc(CC(=O)O)cc3)C[C@H]1CS(=O)(=O)C2 1608190025 AFCVIBUFKOAPAH-WFASDCNBSA-N 384.435 -0.127 30 20 GBED S=C(NCCCN1CCOCC1)NN=Cc1nc(-c2nn[nH]n2)cs1 1609611813 RGKFNLXEUWBLJF-UHFFFAOYSA-N 381.491 -0.157 30 20 GBED CN1CCC(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)CC1 1783656776 JBBGLUFZMASEGP-ULQDDVLXSA-N 391.468 -0.214 30 20 GBED O=C(/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(O)O)[C@H]2C1)c1cccs1 1783867050 PAXJWLJBXDZMHT-JPWDYYAESA-N 394.449 -0.223 30 20 GBED C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786695186 MXUXJFIMBFXNCX-AJNGGQMLSA-N 397.497 -0.049 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1 1792242264 WGXREAKKCCONMX-SRVKXCTJSA-N 381.479 -0.540 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1 1797684355 VJGBIMZNEDAMQF-OHTBPHCPSA-N 379.417 -0.747 30 20 GBED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1797785611 TWGLTKPPWXDDKS-JYYAWHABSA-N 395.412 -0.625 30 20 GBED C[C@@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797815227 KYKBMSGTCQTCCN-KMXMKJFTSA-N 396.444 -0.761 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)ncn1 1798308952 RIHKMKXSUKXBGG-KEODLESXSA-N 378.772 -0.579 30 20 GBED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(N)=O)C3)c1 1799802653 GTGVIEMEWHVILG-SCAQPMJSSA-N 385.424 -0.262 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)Cn2cncn2)[C@H]1c1cccnc1 1812877781 AFBZSHMMUUSNTR-KSSFIOAISA-N 382.380 -0.533 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)C(=O)C4CC4)CCO3)C2)c1 1830601807 KCDNKLUIOWTGOL-LJQANCHMSA-N 386.408 -0.065 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC)C2)C1 1831394166 YLXARUUYNXFLCS-GJYPPUQNSA-N 381.473 -0.521 30 20 GBED CCOc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)nn1 1834765845 LDHDJZQTJIAKJM-GOSISDBHSA-N 389.412 -0.141 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1839806776 DFFMBLNKWBYPIP-FQEVSTJZSA-N 395.419 -0.030 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)c(F)c3)C2)C1 1839807426 ZPZLEQHPFIGGTD-GOSISDBHSA-N 377.372 -0.068 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1840163671 LKRASHBHRWPQEW-DYVFJYSZSA-N 396.469 -0.982 30 20 GBED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1840293782 UZABJVJSUSDSJY-IBGZPJMESA-N 390.440 -0.488 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1841599441 QWPNRJMRHRXMSJ-CYBMUJFWSA-N 385.424 -0.518 30 20 GBED Cn1nc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1=O 25679680 OJOJTHIWUOGVEW-UHFFFAOYSA-N 387.421 -0.201 30 20 GBED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CNC(=O)CNC(C)=O)C1=O 264847624 MLPHUMWTCYDMAW-QGZVFWFLSA-N 383.449 -0.059 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCOCCOCCOC)C1=O 290356031 GIJNGVLGUAUULX-HNNXBMFYSA-N 385.461 -0.582 30 20 GBED C[C@H](O)CN(C(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@@H](C)CO 297876056 UJZYKGGULKJNAL-XYJFISCASA-N 388.468 -0.187 30 20 GBED C=CCN(C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@@H]1CCS(=O)(=O)C1 299177410 YFBBTCYBBXTBGO-PLPKTUSISA-N 378.450 -0.005 30 20 GBED Cc1cccn2c(=O)c(/C(O)=N/[C@@H](C)C(=O)N3CCS(=O)(=O)CC3)cnc12 329138454 DUIRLPLIQSMXMF-LBPRGKRZSA-N 392.437 -0.047 30 20 GBED CCS(=O)(=O)NCCC/N=C(/O)N1CCC(N(C)S(C)(=O)=O)CC1 330606280 ZZRSQOOZRXSEKL-UHFFFAOYSA-N 384.524 -0.414 30 20 GBED CC[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)C[C@@H]1O 349468926 WDZGGXGLYQDWCN-OLZOCXBDSA-N 381.520 -0.027 30 20 GBED CC1(CO)CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(C#N)cn2)C1 349479390 LQRJSVXHWMTRAP-UHFFFAOYSA-N 388.471 -0.271 30 20 GBED N#CCC1(O)CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 366397890 HHENQGYERPEDLN-OCCSQVGLSA-N 399.856 -0.049 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3CN)CC2)c1C#N 420021261 TZJMLTJEVNXKTR-GDBMZVCRSA-N 387.488 -0.118 30 20 GBED C[C@](O)(CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)CN1CCOCC1 478549263 CQZTYCLPLXBZMB-SFHVURJKSA-N 395.481 -0.328 30 20 GBED C=CC1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)CC1 490453601 NTGVJGHGLWJYPU-UHFFFAOYSA-N 376.461 -0.076 30 20 GBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 508971902 VTFSSIRQNHUMGZ-UHFFFAOYSA-N 389.481 -0.028 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCN(C)S(=O)(=O)N(C)[C@H](C)CC#N 509254621 MNPXHXQNSLGDKU-QWHCGFSZSA-N 394.523 -0.535 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCN2C[C@@H]3CC[C@H](C2)O3)cc1 514587897 YHJPQZBIWQRLLW-GASCZTMLSA-N 378.454 -0.184 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)cc1 520253889 COTUKZFZYPPTIF-ZIAGYGMSSA-N 389.455 -0.741 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccccn1 522386433 SHUPIUKCSYEXCN-UHFFFAOYSA-N 394.460 -0.470 30 20 GBED Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)Nc3cccc(C#N)n3)CC2)no1 566194714 HCOKHIGREGKUBF-UHFFFAOYSA-N 397.395 -0.029 30 20 GBED C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 571212961 CJCOKDPEIIXYEB-NWDGAFQWSA-N 385.467 -0.129 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)C)cc1 577077779 UKAAAWIAHPVGKO-UHFFFAOYSA-N 388.471 -0.413 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)C1 592304901 XMFSIJKXQXUQOE-QGZVFWFLSA-N 392.437 -0.057 30 20 GBED N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cn2cnc(C(N)=O)n2)cc1 593053335 ZEDSHIIEWCUUDL-LBPRGKRZSA-N 385.409 -0.211 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CC(C#N)C2)c1 594631260 JTGSVGOPUSRIID-UHFFFAOYSA-N 379.423 -0.131 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC2CC2)c(=O)n1C 596167069 DILJGMHIXMVJFP-UHFFFAOYSA-N 387.465 -0.681 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCCOC)cc2)CC1 728590025 SGOLXQKPYBMMMY-UHFFFAOYSA-N 395.481 -0.233 30 20 GBED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cnn(C(C)C)c2)c1=O 732796467 FZEMKSGCUQEMRQ-UHFFFAOYSA-N 389.481 -0.027 30 20 GBED CCOC(=O)CON=C(C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1cc[nH]n1 772155705 NJSUXWLCEWTNPF-QWHCGFSZSA-N 379.417 -0.327 30 20 GBED C[C@H](O)c1cn(C2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 779567246 NATBAFSPRHRGBX-JTQLQIEISA-N 390.425 -0.547 30 20 GBED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1cccc(F)c1C#N 781595656 KBHZGTBMCVHSGI-ZDUSSCGKSA-N 396.400 -0.371 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1)[C@H]1CCCO1 786662698 KNTAXNCSWVVELL-LSDHHAIUSA-N 379.438 -0.622 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(O)(c3nn[nH]n3)CC2)c1 798145708 PEFXZYAWEIVVFI-UHFFFAOYSA-N 392.441 -0.212 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)C1=O 806715507 IJDVFUMLIMQCHC-KBPBESRZSA-N 381.429 -0.730 30 20 GBED COC[C@](C)(C#N)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 821680463 KCSNSMUIZOGMJO-BONVTDFDSA-N 393.429 -0.422 30 20 GBED CCO[C@H](CNC(=O)c1ccc(C#N)[nH]1)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 825576990 QVOLJRQVPBQIKP-LLVKDONJSA-N 397.399 -0.041 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)nn2C)CC1 831568501 IUUPTISBXPFQSQ-UHFFFAOYSA-N 390.263 -0.592 30 20 GBED C#CCOc1ccc(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1 832328196 AWAXGUFPAGSTQL-UHFFFAOYSA-N 387.483 -0.390 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc(C(=O)OC)o2)C1=O 837490889 OEZKMKDWPCXUMD-UHFFFAOYSA-N 378.293 -0.231 30 20 GBED C=CCCn1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H]2C[C@H]2C(N)=O)nn1 960962822 DGRSYCSNYXEFFU-PAPYEOQZSA-N 388.428 -0.973 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@@H]1O 964503283 KHJFXAAREQTTKN-NEBZKDRISA-N 378.429 -0.994 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CCN(C(N)=O)CC2)C[C@@H]1O 970706531 CZYWHMRMCHGFLS-KBXIAJHMSA-N 380.445 -0.944 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nnc(O)nc1O 1004580602 DLMOHQSQMQQGQX-JCIQBVFBSA-N 375.385 -0.264 30 20 GBED CO[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1042980138 ZTERKWXFNQNNNU-MXASKKJJSA-N 387.440 -0.091 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN1CCC(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1055646969 KBROVMBNZLFWJH-WCVJEAGWSA-N 378.473 -0.604 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnn2c(=O)cc[nH]c12 1109809356 PPIYDPQXTFHCHK-NEBZKDRISA-N 382.424 -0.504 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCO[C@@H](C)C1 1110465444 CQROUTHSUOZDNZ-JJXSEGSLSA-N 376.457 -0.905 30 20 GBED CN(C(=O)COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(C)(C)C#N 1115816713 GARLOYKVJRMVEZ-LLVKDONJSA-N 398.441 -0.544 30 20 GBED Cn1nnnc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1116740290 BWWFAZNXVTWVIH-UHFFFAOYSA-N 389.441 -0.201 30 20 GBED C=CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)n1 1130234930 PSWSKTAICIYCAW-RFGFWPKPSA-N 376.461 -0.029 30 20 GBED CS(=O)(=O)NCC1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 1346599853 VRTLGUXSCOHXON-UHFFFAOYSA-N 382.446 -0.477 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)C1 1349330671 MNZYQPDZTMIQDL-IBGZPJMESA-N 388.399 -0.013 30 20 GBED C#CCO[C@H](C)C(=O)N1CC2(CCCN([C@H](C)C(=O)NCc3cnn[nH]3)C2)C1 1575005103 UVIRNEXAMDEIED-HUUCEWRRSA-N 388.472 -0.228 30 20 GBED CS(=O)(=O)CCN1CCC(Nc2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1580161898 MTOQWQRJXNREKK-UHFFFAOYSA-N 377.434 -0.551 30 20 GBED C=C[C@](C)(O)CC(=O)N1C[C@H]2[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C1 1588499629 LEWUVCJQRCXOBC-JWXAPSBJSA-N 385.428 -0.044 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CNc1cc(-c2nn[nH]n2)nc(CC)n1 1588500399 WVNACIWDTLWSTE-APPDUMDISA-N 390.448 -0.223 30 20 GBED N#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 1592678502 YXYIQQHLCLHNMW-LERXQTSPSA-N 383.416 -0.583 30 20 GBED N#CCSCC(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1606350768 DDIQSNQZIUYQJD-NSHDSACASA-N 390.429 -0.591 30 20 GBED N#Cc1ccc(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)CCO2)[nH]1 1606368189 XJKBAKPCYCQHRK-LLVKDONJSA-N 380.372 -0.508 30 20 GBED N#Cc1cn(CC(=O)N2CCn3c(Br)cnc3C2)c(=O)nc1O 1616227365 XMMXMZWEJSMHAD-UHFFFAOYSA-N 379.174 -0.178 30 20 GBED CC[S@@](=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010025 AKCXZNOOSULABL-PEQUMZMZSA-N 398.481 -0.253 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1noc(C)n1)C2 1793341029 ZNUFIJOLKPHIRE-DPYKFYPSSA-N 376.413 -0.452 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1ccnn1)C2 1793346175 BVXWWVPEOGJTOI-NPJQDHAYSA-N 375.429 -0.533 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1)C2 1800455735 OURDYOFRJKBJBN-LBFCPWMRSA-N 397.475 -0.155 30 20 GBED C#CC(=O)N1CC[C@H](CNC(=O)Cn2cc(C)c(O)nc2=O)[C@@H]1c1cccnc1 1814037757 OEFGSPPCKDBXHZ-QAPCUYQASA-N 395.419 -0.008 30 20 GBED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831413206 QHORJZCBRUPGOA-IBGZPJMESA-N 394.424 -0.486 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1831492656 NMUMZWGFBVTVJE-ZQIUZPCESA-N 387.502 -0.468 30 20 GBED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)nc1 1834378331 HWGYMCXOFKEAQO-LJQANCHMSA-N 387.392 -0.452 30 20 GBED CC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834716368 RCLJCNKDZRKXLR-RATOZQLNSA-N 397.428 -0.439 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836807827 AKRZSKIUXQJUKR-SFHVURJKSA-N 384.396 -0.058 30 20 GBED CC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527293 KRTGCFAZXWGRFA-RATOZQLNSA-N 397.428 -0.439 30 20 GBED CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)COC1 1838732870 DEAPDANSARZBQM-IBGZPJMESA-N 388.424 -0.007 30 20 GBED C[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)CCCN1 1839121023 LBJBWOVPVNRABF-MJGOQNOKSA-N 376.457 -0.111 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839719641 GPFXPJGRRMJODP-HNAYVOBHSA-N 392.456 0.000 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)OC)CCO3)C2)C1 1840318380 CUJGMGSHANFOPR-GOSISDBHSA-N 381.429 -0.235 30 20 GBED CN(CC(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1)C(=O)C(=O)O 1842921205 WCQMYMXNNANCRS-UHFFFAOYSA-N 393.444 -0.985 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@@H](CC)C(=O)N1CCOCC1)c1cc[nH]n1 276565206 JOFBFOZDIKKDET-DRPFOCBESA-N 395.416 -0.553 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 281374518 LFLDWOUQEYDEMV-IUODEOHRSA-N 375.429 -0.079 30 20 GBED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)nc1 292968260 GNGDUIIGYHKKAJ-UHFFFAOYSA-N 384.396 -0.815 30 20 GBED C=CCN(C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@H]1CCS(=O)(=O)C1 299177416 YFBBTCYBBXTBGO-UNPMEBSKSA-N 378.450 -0.005 30 20 GBED C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 299570114 ASEZWSDQUJWKIG-JQFCIGGWSA-N 393.465 -0.372 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCCO[C@H](CF)C1 349473729 ZHWZUIUHXNKEKE-QWHCGFSZSA-N 385.483 -0.060 30 20 GBED C[C@@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)Nc1ccc2nncn2c1 349569897 CKUUSDJEYPMXRY-NSHDSACASA-N 386.459 -0.060 30 20 GBED C[C@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409525527 NTDWMDKXMXMRLN-HOTGVXAUSA-N 399.517 -0.526 30 20 GBED COc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 409555400 SNTZKYRCTFNUEL-INIZCTEOSA-N 394.453 -0.078 30 20 GBED CCCN1C[C@@H](CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1=O 422618586 LVCHQAUERYJTSS-MRXNPFEDSA-N 398.467 -0.023 30 20 GBED N#C[C@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1ccc(F)cc1 468187058 LZDFNCFAXOFXQA-ZDUSSCGKSA-N 379.373 -0.088 30 20 GBED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C#N)n1 564946941 ZUDVLDWNBBYZLL-CYBMUJFWSA-N 394.457 -0.331 30 20 GBED C=CCOC[C@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C(=O)O 569924949 SFTALORZHHSCGJ-ZDUSSCGKSA-N 392.455 -0.460 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCN(S(C)(=O)=O)C3)CC2)c1C#N 578446906 JNBVDZNDDVNROV-ZDUSSCGKSA-N 395.489 -0.534 30 20 GBED COC(=O)[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccnn1C 592892907 WFIZRJQDEUGKSZ-HNNXBMFYSA-N 391.409 -0.399 30 20 GBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 592904417 AMCGNYXYYZAHCU-OLZOCXBDSA-N 381.410 -0.781 30 20 GBED Cc1nc(N)nc(C)c1C(=O)NCC#CCNC(=O)c1c(C)nc(N)nc1C 681340232 CQVQYICEXCMXNW-UHFFFAOYSA-N 382.428 -0.172 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 728535748 DOBJKPURQKWFAY-UHFFFAOYSA-N 392.481 -0.556 30 20 GBED COCCN1C(=O)c2ccc(C(=O)N3CCO[C@H](C#N)C3)cc2S1(=O)=O 729979153 AHHVYGZWTNLYSX-GFCCVEGCSA-N 379.394 -0.158 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)Cn3[nH]cc4c(=O)ncnc3-4)C2=O)cc1 754438127 NNFQKXYUVWYHAL-HNNXBMFYSA-N 391.391 -0.140 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762939296 DQTYHCKDPCNCGC-QWRGUYRKSA-N 381.410 -0.867 30 20 GBED CCOC(=O)CON=C(C(=O)Nc1cc(C)n(CC(=O)NC)n1)c1cc[nH]n1 772520826 MXEDUZJEOCDQRY-UHFFFAOYSA-N 391.388 -0.417 30 20 GBED CN(C)S(=O)(=O)CCCS(=O)(=O)NCCNc1ccc(C#N)cn1 774863187 KOQIDVBUBHRJJO-UHFFFAOYSA-N 375.476 -0.434 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1 784688701 UKBZNAQDSMGACE-UHFFFAOYSA-N 397.409 -0.278 30 20 GBED C[C@H](CC(=O)N[C@@]1(C(=O)O)CCOC1)/N=C1/NS(=O)(=O)c2ccccc21 827226411 MQALRLBJKJGBQV-HWPZZCPQSA-N 381.410 -0.136 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCCN2C(=O)C(C)C)CC1 831556105 HPPSYUAQMLFUNF-OAHLLOKOSA-N 384.502 -0.365 30 20 GBED C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1nc(C)cc(OC)n1 848964606 BLJHIBJYSHGYRX-SNVBAGLBSA-N 376.460 -0.133 30 20 GBED N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)cn1 1041425684 HKALZDKHEPFDNA-SYQHCUMBSA-N 386.330 -0.035 30 20 GBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(C)c(=O)nc1O 1110103257 LRIKZJZORIJLPG-RFHZTLPTSA-N 375.429 -0.488 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1cncn1 1110288657 WIJSZDDCOBOSAN-MCIONIFRSA-N 375.433 -0.599 30 20 GBED CC(C)(CNC(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H]1COCC12OCCO2 1142032208 ZCRLJBSGZGEPTO-ZDUSSCGKSA-N 392.412 -0.257 30 20 GBED CCN1C(=O)[C@H]2CN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)CCN2C1=O 1319731910 YWVOIZIJUKLEMM-OAHLLOKOSA-N 381.392 -0.058 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1323820749 WXSHQSGTFFWGFI-BBWFWOEESA-N 394.516 -0.048 30 20 GBED CC(C)CO[C@@H]1CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1342099682 PBKPUTBXQCGTQT-UWZWCOGJSA-N 378.429 -0.098 30 20 GBED N#CCOc1ccccc1C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 1343449227 UUTAELLGDGCORV-GJZGRUSLSA-N 379.438 -0.495 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(C2CCOCC2)C[C@H]1C 1347200235 IYLCNKHOUMFFGQ-CQSZACIVSA-N 387.502 -0.585 30 20 GBED COC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CCO[C@H](C#N)C3)CC2)s1 1348326457 COMCLMHFVOXTPQ-GFCCVEGCSA-N 392.437 -0.066 30 20 GBED N#C[C@H](C(=O)NC1CCCC1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1524677669 LWOBPKWJCKJRKD-STQMWFEESA-N 394.453 -0.080 30 20 GBED CCc1nc(-c2nn[nH]n2)cc(N2CCC[C@](CO)(NC(=O)[C@H](C)C#N)C2)n1 1578590012 BEBRTUXAXAWJKY-DIFFPNOSSA-N 385.432 -0.174 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1C 1588354663 USPTXGZEISTFRN-CMPLNLGQSA-N 384.400 -0.947 30 20 GBED C[C@H](C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)O)n1cnc(C#N)n1 1588546628 CCCKNGIHXHEZGJ-NQMVMOMDSA-N 388.306 -0.167 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588665080 DLOSOAWGPBWNGS-GTNSWQLSSA-N 389.416 -0.521 30 20 GBED C=CCn1cc(C(=O)NCCN(c2cnc(-c3nn[nH]n3)cn2)C2CC2)nn1 1588713614 OIWGYFICENYRIO-UHFFFAOYSA-N 381.404 -0.167 30 20 GBED N#Cc1nc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)[nH]c1-c1nn[nH]n1 1592683729 YAMYXOKFSPYCJN-SECBINFHSA-N 378.356 -0.156 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)O)cc1 1596200014 BINRXJGBSXOUKD-JTQLQIEISA-N 375.428 -0.028 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C)C[C@@H](C(=O)O)C2)c1 1602725695 FNIRMAUMSWQTCD-CQSZACIVSA-N 379.438 -0.314 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)O)[C@@H](C(=O)OC)C2)cc1 1602726271 OLRFJLNENVQUJO-KGLIPLIRSA-N 394.405 -0.456 30 20 GBED Cc1nc(C#N)c(N2CCC(C(=O)N3CCNC(=O)[C@@H]3CC(=O)O)CC2)o1 1610551780 ZQFFGPHLDOYZJD-ZDUSSCGKSA-N 375.385 -0.127 30 20 GBED COC(=O)C1(C#N)CCN(CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 1643110027 JCNUQKTVCXMIIX-UHFFFAOYSA-N 386.474 -0.695 30 20 GBED CC(=O)N(CC(=O)O)C[C@@H]1CN(S(=O)(=O)c2ccccc2C#N)CCO1 1776202710 VSQDFUAFMBSCSY-CQSZACIVSA-N 381.410 -0.119 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)CSC(=N)N)CCO3)C2)c1 1780333207 UGYHPCCXLKJHBD-MRXNPFEDSA-N 376.442 -0.043 30 20 GBED NC(=O)c1ccccc1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781761782 SFAZLADTWSRPJN-IBGZPJMESA-N 385.376 -0.683 30 20 GBED C[C@H](Nc1nccs1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561608 BTXZZQYLPFNQQQ-SJCJKPOMSA-N 392.437 -0.139 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)CC)C[C@@H]21 1784477494 DZQOUHCZOQFGPZ-XAJHFOFHSA-N 393.484 -0.081 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cncn3)C[C@@H]21 1784481945 ZREUWIOUIQOYLZ-WOYTXXSLSA-N 389.456 -0.143 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(C)=O)[C@H]2C1 1790865202 RLYNMHZIDNRTBP-KUHBDSFDSA-N 379.457 -0.471 30 20 GBED CC(C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597517 LYISBIOHOZIWQW-FZKCQIBNSA-N 380.489 -0.125 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c2nccc-2c1 1796200485 ZPOKMCKTBSQGBM-XOIINTDNSA-N 382.376 -0.194 30 20 GBED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COCCO)cc1 1799339951 ZOQAIMCBDRFDRV-IZZQQSIFSA-N 387.436 -0.035 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C 1799374959 SMOFWWFCNNBYQN-LFYQSXPISA-N 394.472 -0.002 30 20 GBED CCOC(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)OCC 1801148988 YGYYPAADFWMTRO-IVWMJMPLSA-N 382.413 -0.547 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833573274 ADLUGTSNIIGRBO-QGZVFWFLSA-N 378.360 -0.514 30 20 GBED CN1CCC[C@H]1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833623649 PYSQMEVCONYNCO-KRWDZBQOSA-N 390.484 -0.260 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1834761111 WPZUYBAZIBTZAW-GOSISDBHSA-N 384.396 -0.287 30 20 GBED CC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040021 LXOBLJZZNQOZCH-GOSISDBHSA-N 380.397 -0.854 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1840159255 ZSJKGNHNNUCFFL-YVEFUNNKSA-N 397.453 -0.526 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CN1CCN(C(C)=O)CC1)C2 1841609595 KGLLCHRDISHXFK-INIZCTEOSA-N 392.500 -0.055 30 20 GBED COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C#N)c(F)c1 292683210 RWIXLVBAEMHQDR-GFCCVEGCSA-N 376.387 -0.342 30 20 GBED CNS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 298458156 RLKCIGQNICZXBY-UHFFFAOYSA-N 385.833 -0.241 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1=O 299591254 WKSYBICDXNLBPK-UHFFFAOYSA-N 382.380 -0.421 30 20 GBED CN(C1CCN(/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)CC1)S(C)(=O)=O 328825811 SNEWCCAMLBERPT-CYBMUJFWSA-N 396.535 -0.320 30 20 GBED C[C@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 349474582 KFAPVXCOBTZTAE-NEPJUHHUSA-N 385.533 -0.710 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCn2ncnc2C1 349485089 ZGNKJFGXTRULFN-UHFFFAOYSA-N 382.427 -0.716 30 20 GBED CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCNC(=O)C1 349577697 AFSVELRMHZVEPH-CQSZACIVSA-N 392.503 -0.860 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCCN(CC(=O)N3CCCC3)CC2)CCO1 409525377 LFANLQARKXCJTL-OAHLLOKOSA-N 385.490 -0.914 30 20 GBED C=CCn1cc(CNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)nn1 424906923 HEAZCVFVQZRUBP-INIZCTEOSA-N 376.461 -0.206 30 20 GBED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)n1 442264124 HQTDAUNUWFEMKW-STQMWFEESA-N 389.799 0.290 30 20 GBED C[C@@H]1CC(=O)C[C@@H](C(=O)N2CC(O)(CC#N)C2)[C@H]1C(=O)N1CC(O)(CC#N)C1 476815722 HKDFMCXXKQRXLB-YUELXQCFSA-N 388.424 -0.808 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccn(CC(N)=O)n1 480654718 UGLGEKDNZPNJHO-JTQLQIEISA-N 376.398 -0.454 30 20 GBED C=CCOC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1)C(=O)O 515350359 RUBYZTWNRHDVGT-LBPRGKRZSA-N 392.455 -0.163 30 20 GBED COc1cc(C#N)ccc1NC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 525901634 RGTOAPIKUGAZIM-CQSZACIVSA-N 376.413 -0.343 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(N)(=O)=O)cn1 539530081 IPQGKLZDRRQPPG-LLVKDONJSA-N 387.425 -0.258 30 20 GBED C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 562698099 DVBJJDJLESYGSI-GOEBONIOSA-N 387.440 -0.400 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)CC1 571620271 SZDRYBTWTNYJIB-JKSUJKDBSA-N 396.451 -0.129 30 20 GBED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C)CCC#N)cn2)C[C@@H](C)O1 578846486 KNEHLVFBTZNFAJ-BETUJISGSA-N 376.417 -0.171 30 20 GBED CNS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2cc(C)c(C#N)cn2)CC1 583034330 MQRNXSUJFGQFDV-UHFFFAOYSA-N 380.430 -0.755 30 20 GBED COC(=O)[C@@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@H](C)O1 593087744 WWZHDQCLHQYYKG-WFASDCNBSA-N 391.428 -0.234 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)COc2cccc(-c3nn[nH]n3)c2)CC1 735379950 AOWVFDPMMXHWEQ-UHFFFAOYSA-N 397.439 -0.471 30 20 GBED CCN(CCC#N)C(=O)COC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 736533859 GOIJCTMOTKMFLM-UHFFFAOYSA-N 385.384 -0.098 30 20 GBED C#CCNC(=O)C1CCN(C(=O)Nc2cnn(CC(=O)NCCOC)c2)CC1 747570201 HPFSMHFZSYLIEU-UHFFFAOYSA-N 390.444 -0.361 30 20 GBED C#CCN1CCN(C(=O)CN(C)CC(=O)N2CCC[C@@H](C(=O)OCC)C2)CC1 748811628 AWSFRVQCNOPEHM-QGZVFWFLSA-N 392.500 -0.503 30 20 GBED CC(C)[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(N)=O 769642665 YLBSQNKIVUBDMI-ZDUSSCGKSA-N 382.398 -0.401 30 20 GBED N#CCNC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 782340368 WQBGZHSQXGFUIT-YPMHNXCESA-N 385.373 -0.867 30 20 GBED COCCCNC(=O)[C@@H](C#N)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 789404378 WVCYNPMMXYSGQW-NSHDSACASA-N 375.385 -0.949 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC3(CC2)COC(=O)N3)c1 811016092 DRXHZRCHUUNHCY-UHFFFAOYSA-N 378.410 -0.062 30 20 GBED C#CCN(CC)S(=O)(=O)CCCS(=O)(=O)N1CCCn2ncnc21 848960103 ZYTUQLPVOQSXCN-UHFFFAOYSA-N 375.476 -0.507 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@@H]1O 970701726 ATNRFFJEDISGLQ-RZFFKMDDSA-N 376.413 -0.442 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)c2cnn(C)c2)C1 1025425572 HEKMBSZCTNMWQU-FPCVCCKLSA-N 376.457 -0.023 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@H]2O)O1 1077669719 IWOSNJGFKJXEMB-MKXGPGLRSA-N 385.464 -0.165 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(CCN3C(=O)CNC3=O)C[C@@H]21 1083198663 JYSVDLYDQITYLI-CBBWQLFWSA-N 378.429 -0.959 30 20 GBED CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 1092920117 NMARPJCPHAUMGW-AGIUHOORSA-N 378.458 -0.098 30 20 GBED C=CCN1CC[C@@H](N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2CCCNC2=O)C1=O 1095681058 HCTCMMGNOZJVAH-FXUDXRNXSA-N 375.473 -0.090 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC1CCS(=O)(=O)CC1 1109171675 ZZPSSXORVHSRRT-PMPSAXMXSA-N 381.498 -0.328 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COC1CCN(C)CC1 1109900204 DBMGRSBHCKMCHR-MVJTYMMSSA-N 376.501 -0.043 30 20 GBED CN1C(=O)CC[C@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1=O 1118182289 RGOZEENSQDMGCG-HOTGVXAUSA-N 397.435 -0.513 30 20 GBED C[C@@H](CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)CN1CCN(C)CC1 1322199661 XLVCFPDZLBVMHK-HYEKCJMVSA-N 378.477 -0.305 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1323589279 YBHJKHVAGVMKKE-UONOGXRCSA-N 391.490 -0.797 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCn3cncn3)C2=O)cc1 1324035017 LLHBDGDQFCSCLX-OAHLLOKOSA-N 381.396 -0.422 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1=O 1324170929 CHUKCTCQVDMQDE-UHFFFAOYSA-N 391.428 -0.019 30 20 GBED CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 1325094650 HQVSXAQRGWORAQ-HNNXBMFYSA-N 377.422 -0.207 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(Cc3cc(C)on3)CC2)C1=O 1326731069 BBGXVUILSIBDDO-UHFFFAOYSA-N 389.412 -0.006 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc3c(c2)C(=O)NCC3)C1=O 1327420816 SYCQCPYIILTRMI-INIZCTEOSA-N 384.436 -0.166 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CC[C@H](N3CCOC3=O)C2)CC1 1328248460 MEEMBAKCRKLPQV-AWEZNQCLSA-N 376.413 -0.973 30 20 GBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(I)cn1 1329190385 ICHIKVUAOCEXJA-UHFFFAOYSA-N 387.137 -0.619 30 20 GBED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCNC(=O)C2)cc1 1330826804 HEGMECSIMKHZPY-NSHDSACASA-N 378.410 -0.341 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2[C@@H]2[C@H]3Cc4ccccc4[C@H]32)CC1 1335210590 CMWQNGMJWKPSPU-GVDBMIGSSA-N 399.480 -0.227 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NC[C@@H]1CC1(Cl)Cl 1340244237 MPQXHUWIUBVRPX-IZXMIOPHSA-N 375.212 -0.061 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NCc1ccc2c(c1)CCO2 1345072831 JFNZIGNEFUYKDN-MSUUIHNZSA-N 384.392 -0.120 30 20 GBED C=CCn1cc(C(=O)N2CC[C@H](N(C)c3ccc(-c4nn[nH]n4)nn3)C2)nn1 1573348791 WJGQLHMXFZZJFE-NSHDSACASA-N 381.404 -0.215 30 20 GBED C=CCn1cc(C(=O)N2CCC[C@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)C2)nn1 1573352087 ZMVCJJMTATYSLT-NSHDSACASA-N 381.404 -0.427 30 20 GBED C[C@@H](C#N)C(=O)N(CCO)C1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1573560550 DBQSSJCZHJEHLJ-NSHDSACASA-N 386.416 -0.220 30 20 GBED O=C(C#CC1CC1)NC1(CCO)CN(C(=O)c2ccc(-c3cnn[nH]3)nc2)C1 1577745595 IEGNVNYMFTWLIL-UHFFFAOYSA-N 380.408 -0.027 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1O 1588505871 YREBAMIPBOCQLK-RKVPGOIHSA-N 390.419 -0.006 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1OC 1588725913 ODXQIMVQDGZBTN-FVCCEPFGSA-N 386.416 -0.432 30 20 GBED C#CCOCCNC(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1=O 1602729621 YTINYWWFPRKIPS-OAHLLOKOSA-N 383.412 -0.083 30 20 GBED C=CCN(CC(=O)OCC)C(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O 1602850634 RNGULSFWHYNBJL-UHFFFAOYSA-N 377.361 -0.903 30 20 GBED COC[C@@H](C#N)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1605042344 XZFUZQBCZCMNSZ-MWLCHTKSSA-N 380.386 -0.385 30 20 GBED O=C(O)[C@@H]1[C@@H](O)CCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1608598853 YWTMZSOUUJWXNB-FZMZJTMJSA-N 381.410 -0.448 30 20 GBED CC(=O)NCCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779021678 SLLHLLSFRUQLRY-IOVUBPJKSA-N 393.488 -0.186 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1783113590 DDGCYFGDAGXOQG-QFBILLFUSA-N 383.489 -0.685 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C[C@@H]21 1784484940 GSDGNVJEJMQAEL-DKIMLUQUSA-N 387.436 -0.048 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1 1786808605 NIRVRDISDNEMRF-XUXIUFHCSA-N 382.465 -0.750 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3C)[C@H]2C1 1789941068 LRXOQKVSSUIVEK-XAJHFOFHSA-N 391.468 -0.375 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3cncn3)[C@H]2C1 1791518668 HTVFJOIMXHQTOV-QAETUUGQSA-N 389.456 -0.314 30 20 GBED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C 1792625115 KLNKATBTCWABSR-NEBZKDRISA-N 386.518 -0.198 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)N(C)C 1795465243 AJYDVXYTEJUJEK-AGGWBTHJSA-N 381.429 -0.826 30 20 GBED Cc1ccn2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)c2c1 1796272099 BHXHJVUGBPVGCY-HBCWATKFSA-N 396.403 -0.066 30 20 GBED CC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797839709 YYQTVZPHAKBLIL-BSFCKHISSA-N 376.413 -0.576 30 20 GBED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2)C(F)(F)F 1800552959 MEDYALLODJDNQT-WISYIIOYSA-N 388.350 -0.058 30 20 GBED C#CC(=O)NC[C@H]1CCN(C(=O)Cn2cc(C)c(O)nc2=O)[C@H]1c1cccnc1 1812534694 MDISRVMCSHJHDY-QAPCUYQASA-N 395.419 -0.008 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)[C@@H]1c1cccnc1 1812872870 IFCMXLDSSLAFMF-YZVOILCLSA-N 398.419 -0.298 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COC(C)C)C2)C1 1831388124 PZSDUAWFNOOYDE-LPHOPBHVSA-N 382.457 -0.094 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccn3)C2)C1 1831391122 HKMFXDDITZZXKA-DNVCBOLYSA-N 388.424 -0.415 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3csnn3)CCO2)C1 1831743057 DYXZLFIMOJOZBO-CXAGYDPISA-N 394.453 -0.354 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1834758338 MCAXDVGYEIPXRW-GOSISDBHSA-N 384.396 -0.287 30 20 GBED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834768574 DODKUCIWANIKMY-IBGZPJMESA-N 389.456 -0.050 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1834769001 UAUCFHNXTRXJIK-SFHVURJKSA-N 378.429 -0.631 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1835352286 RTLKSFAHQVTKMM-GOSISDBHSA-N 396.513 -0.205 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn[nH]c4)C3)C2)c1 1838736118 KNIQISVUAOLVCU-GOSISDBHSA-N 384.396 -0.007 30 20 GBED CC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838754526 NGQKTVRNHCMUJY-CYBMUJFWSA-N 393.440 -0.402 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1839806966 JIESYHBCJSDURO-IBGZPJMESA-N 388.424 -0.776 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839875674 RZGXZVDIVWKZKU-LIRRHRJNSA-N 377.441 -0.619 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840194161 CKPIMRQHKJWHFZ-ABAIWWIYSA-N 392.499 -0.421 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840409936 LPIHDZCSFGHNCS-CXAGYDPISA-N 396.469 -0.370 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)n2cnnn2)CCO3)C1 1840472947 GJTMAQZQLFKTGY-RDTXWAMCSA-N 390.444 -0.343 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(S(C)(=O)=O)CC2)c1 45335557 JZXUXGZDACUGCR-UHFFFAOYSA-N 399.494 -0.294 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@H](CO)C2)CC1 265776676 DIUIJAQVMVKMPU-HNNXBMFYSA-N 392.481 -0.295 30 20 GBED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CCO[C@H](C#N)C1)CC2 266616019 HMHVTACBLMPQGS-GFCCVEGCSA-N 378.410 -0.765 30 20 GBED O=C(C#Cc1ccc2c(c1)OCO2)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 268579542 RUBCXKHWOILNST-CYBMUJFWSA-N 378.406 -0.424 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 268710906 DQZJGOLLMOBQNT-XHDPSFHLSA-N 385.467 -0.082 30 20 GBED N#C[C@H](c1ccccc1)N1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 274314075 VGLQJJOWUKOMJQ-MRXNPFEDSA-N 388.453 -0.060 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(Cc3cccnc3)CC2)C1=O 297934425 SKNBXDMDPINNHA-QGZVFWFLSA-N 385.468 -0.029 30 20 GBED CC(C)(C)OC(=O)N1CCN2/C(=N\CCCNS(C)(=O)=O)NC[C@@H]2C1 305004406 IIALKJSVCBJNBS-GFCCVEGCSA-N 375.495 -0.194 30 20 GBED O=C(C/N=C(/O)N1CCN(CC(=O)N2CCCCC2)CC1)N1CCOCC1 329280406 MVCZTBGWCXJSHY-UHFFFAOYSA-N 381.477 -0.611 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(/C(O)=N/CC[C@H]3CCOC3)CC2)CC1 329649119 KCHGPCXSNKMQMM-HNNXBMFYSA-N 389.522 -0.563 30 20 GBED O=C(C1CCC1)N1CCN(CC/N=C(/O)N2CCN3C(O)=NC[C@H]3C2)CC1 329748589 FNAKUKODYBCPQO-HNNXBMFYSA-N 378.477 -0.242 30 20 GBED C[C@@H]1C(=O)NCCN1C(=O)C/N=C(/O)c1cccc(S(=O)(=O)N(C)C)c1 330621280 LTYOJDRFGPAXNE-LLVKDONJSA-N 382.442 -0.412 30 20 GBED C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 349464383 NMEHGPSVCUSTAO-AGIUHOORSA-N 397.544 -0.568 30 20 GBED C[C@H]1CC(=O)NCCN1S(=O)(=O)CCCCS(=O)(=O)NC1(C#N)CC1 349588793 BSCCZUBUMSQHRZ-LBPRGKRZSA-N 392.503 -0.718 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCN(C(COC)COC)CC1 416574473 XXRUOSVKWJXRRL-UHFFFAOYSA-N 378.495 -0.628 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC2(CCO)CC2)cc1 517962861 ZXYCOXZDBTUVBR-UHFFFAOYSA-N 398.466 -0.082 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(c3nc(N)ns3)CC2)CC1 538149098 YPFGWGGHSJOUSE-CQSZACIVSA-N 392.533 -0.065 30 20 GBED Cn1ccnc1N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 563922477 TXRAPOVCDLQXKV-UHFFFAOYSA-N 388.453 -0.081 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](CNC(N)=O)C2)cc1 566798508 CYBRGVCFYRIHBX-CYBMUJFWSA-N 379.442 -0.257 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 590981578 PXRORVRURQXJDN-KGLIPLIRSA-N 387.444 -0.476 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)Cc2nc([C@H](C)OC)no2)c1=O 748093811 KSGVQVUMSIAGOU-LBPRGKRZSA-N 392.416 -0.276 30 20 GBED CN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)C1=O 751660966 GVOCDCBVMYGGRP-SECBINFHSA-N 376.350 -0.311 30 20 GBED CS(=O)(=O)N1CCN(CCNc2cccc(S(N)(=O)=O)c2C#N)CC1 754977233 ONEJRKIKURETFC-UHFFFAOYSA-N 387.487 -0.805 30 20 GBED COC(=O)C[C@]1(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCOC1 768546610 CNJODQOIFRMKKL-QGZVFWFLSA-N 395.437 -0.046 30 20 GBED C=CCN1CC[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)C1=O 798637581 WLTDRKRIGOBUST-SMDDNHRTSA-N 395.437 -0.218 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N(CCN(C)C)CC(=O)N(C)C)c1 855695052 FHOYQORKJBYQHR-UHFFFAOYSA-N 394.497 -0.310 30 20 GBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1)[C@@H]1CCCO1 898003418 IQGSDPUOTRTKKI-BZSNNMDCSA-N 392.500 -0.804 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2ncccc2OC)C1 969972680 OWYMMGHROVJTBS-OJLVUWQFSA-N 375.425 -0.088 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccn3nnnc23)C1 1023884053 PJFOJUZHXPDCAQ-NGFQHRJXSA-N 386.412 -0.593 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(-c2cccnc2)nn1 1110634659 REVLGBNJXMKYSC-UNEWFSDZSA-N 379.424 -0.253 30 20 GBED CN(CCOCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)c1ccc(C#N)nn1 1115272458 GEXTWSNGLWMIRB-JLJPHGGASA-N 375.429 -0.031 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)CN3CCS(=O)(=O)CC3)CC2)nc1 1318220267 YXQVQLKOCAWTHA-UHFFFAOYSA-N 377.470 -0.231 30 20 GBED CC(C)N1CCN(C2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)CC1 1321371483 RRHRDSFXEFEVHV-KRWDZBQOSA-N 385.534 -0.054 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCCS(=O)(=O)C3)CC2)c1 1322717296 OUKOIAUJZNACEE-AWEZNQCLSA-N 391.453 -0.705 30 20 GBED Cn1cnc(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 1326788258 XYLILRWQZAKTIC-UHFFFAOYSA-N 384.400 -0.483 30 20 GBED C[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(=O)N(C)C 1329313078 DERQGNRCJIUMKJ-WFASDCNBSA-N 385.424 -0.237 30 20 GBED CC1(C)CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[C@]2(CCOC2)O1 1329817650 ZMLKQXLLKZEEPG-BEFAXECRSA-N 376.457 -0.018 30 20 GBED Cn1ncc2c(N3CCN(C(=O)CN4CCN(CCC#N)CC4)CC3)ncnc21 1333038726 RIYMSTXIIHCLKY-UHFFFAOYSA-N 397.487 -0.457 30 20 GBED N#CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 1333366007 VNYNMMFGFHELJL-OAHLLOKOSA-N 389.456 -0.568 30 20 GBED CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1357274213 YYAQJUIHGUKITI-GFCCVEGCSA-N 382.446 -0.129 30 20 GBED C=C(C)Cn1c(C[S@](C)=O)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 1524067610 MEZUEOCHDYDTQH-DEOSSOPVSA-N 390.535 -0.339 30 20 GBED COC[C@@]1(C(=O)O)CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1574131532 MHIHRFLVAZWNKE-MRXNPFEDSA-N 381.410 -0.325 30 20 GBED COCCN(CCNC(=O)c1cc(C#N)c[nH]1)c1nccnc1-c1nn[nH]n1 1579802659 NLRNOAVAHZWTCB-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED C=CCOCC(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588674744 RZMJQPLRKCBPBC-MRXNPFEDSA-N 375.389 -0.909 30 20 GBED C=CCn1cc(C(=O)NCC[C@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 1588713895 YGRGFBGQYFTTFG-JTQLQIEISA-N 384.404 -0.089 30 20 GBED O=C(C#CC1CC1)NCCCN1CCN(c2nccnc2-c2nn[nH]n2)CC1 1592768894 QFTFIGYVTIFBTC-UHFFFAOYSA-N 381.444 -0.302 30 20 GBED C#CC[C@H]1CCCN(C(=O)C(=O)N2CCN([C@]3(C(=O)O)CCOC3)CC2)C1 1602700258 ULPZUSGVXIWCDB-HNAYVOBHSA-N 377.441 -0.364 30 20 GBED COC(=O)Cn1cc(/C=C2/CCc3c(cnc(O)c3-c3nn[nH]n3)C2=O)nn1 1604943806 CYGXWIYSAVTZIO-YWEYNIOJSA-N 382.340 -0.056 30 20 GBED CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)CC1 1778359825 YIYCTOORJQNURX-KBXCAEBGSA-N 398.529 -0.701 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3)CCO2 1783566176 QWDAJHIALKMHNM-FQEVSTJZSA-N 397.387 -0.287 30 20 GBED CN[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21)C(=O)O 1786900886 KUBUGDYEVSZRHB-XQLPTFJDSA-N 392.456 -0.277 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@H]2C1 1791837207 LRTNHOHFIJAZOY-MRMCGTTGSA-N 376.453 -0.103 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC 1795720399 SIYLZVIFENLTRU-YYGSZOBFSA-N 378.473 -0.568 30 20 GBED CNC(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797810739 WFUXEEAGABOJBG-AACUENJTSA-N 396.444 -0.759 30 20 GBED C[C@@H](Nc1nccs1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800775861 LKXIUWTVEKZUPZ-MCYUEQNJSA-N 392.437 -0.379 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3CN1)C2 1800776124 SSTQVYAWKOKLKD-AXVVYFOYSA-N 397.431 -0.622 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1831401499 AXPCNZQERNFJFU-BEFAXECRSA-N 379.457 -0.957 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832208918 CTWSMGLMJXNADL-IBGZPJMESA-N 383.408 -0.479 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1839807999 LBGNTXHPGXSHEK-GOSISDBHSA-N 375.381 -0.059 30 20 GBED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c[nH]1 1840042927 WVNSRRPSHACSDJ-GOSISDBHSA-N 375.381 -0.519 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1840166870 IPZRQIADEOZOPW-IBGZPJMESA-N 390.440 -0.001 30 20 GBED CO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840211338 ZFPIFUPPHGSCSX-ACJLOTCBSA-N 376.413 -0.009 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1840839879 JWMLBGOUSZNYDH-IBGZPJMESA-N 395.525 -0.095 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2cc(C)c(O)nc2=O)C1 1846966762 HHWYBWRTAGLILO-AWEZNQCLSA-N 388.424 -0.501 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)CC)CC2)cc1 52051772 BBAYNHLVINLGKV-UHFFFAOYSA-N 399.494 -0.294 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cnc3ccc(C)cn3c2=O)CC1 264811542 BWRZCFGCOSBWFZ-UHFFFAOYSA-N 381.436 -0.100 30 20 GBED N#Cc1cc(NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)ccc1F 267320370 AWBRFIYEAJOCLW-UHFFFAOYSA-N 383.405 -0.931 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CN(C)CCN1C 268829613 RROKWCFYVDQSGN-DZGCQCFKSA-N 379.486 -0.413 30 20 GBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2sccc2C#N)C1=O 270729875 NAHIBLRUNWWURW-CHWSQXEVSA-N 396.494 -0.040 30 20 GBED COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(F)cc1C#N 274917442 LZXZHPTUUIVQID-NSHDSACASA-N 376.387 -0.342 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H](O)CO)cc1 275915699 SEISQWARTQFPFR-ZDUSSCGKSA-N 385.442 -0.757 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(C(=O)OC(C)(C)C)=NO2)CC1 280962891 NOKVZTITDNYBJV-OAHLLOKOSA-N 392.456 -0.243 30 20 GBED C#CCN(C)CCCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 294095080 XUJXPWYJUVVIHR-UHFFFAOYSA-N 392.481 -0.508 30 20 GBED CN1CCN(C(=O)c2cc(N/C(O)=N/CC(=O)N3CCOCC3)ccn2)CC1 329459446 RMYIETSSOVHKKC-UHFFFAOYSA-N 390.444 -0.346 30 20 GBED C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 349464384 NMEHGPSVCUSTAO-FRRDWIJNSA-N 397.544 -0.568 30 20 GBED N#CC1CN(S(=O)(=O)CCCS(=O)(=O)N2CC(=O)Nc3cccnc32)C1 349502434 NZXUQSOEHITVDM-UHFFFAOYSA-N 399.454 -0.655 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1CCn2cncc2C1 349507806 VSGMMPZOXDMMCS-UHFFFAOYSA-N 389.503 -0.018 30 20 GBED C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 377937367 GPJUPRRTMVCHAN-LBPRGKRZSA-N 397.395 -0.871 30 20 GBED COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 410160955 WGWKINLQTDYPHW-CABCVRRESA-N 389.522 -0.519 30 20 GBED N#Cc1ccc(OCCNC(=O)C(=O)N2CCC[C@@H](C(=O)NCCN)C2)cc1 419463280 LFXRVMLSYLUXIB-OAHLLOKOSA-N 387.440 -0.633 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3CC[C@H](C(=O)O)C3)CC2)c1C#N 422937288 JJCSMHHWCNAKFQ-NSHDSACASA-N 377.426 -0.095 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cn(CC(=O)OC)nn2)c1 441873628 POCXGRLHNFZMAV-UHFFFAOYSA-N 393.425 -0.155 30 20 GBED CCS(=O)(=O)C1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 456289902 MBQPUTVGULOBFX-LLVKDONJSA-N 385.467 -0.129 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)NCC2CC2)cc1 573339023 ADMDLUHPGCQUIN-UHFFFAOYSA-N 386.455 -0.707 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCn4ncnc4C3)C2=O)cc1 580855223 KVASNXFXYCSWTL-OAHLLOKOSA-N 393.407 -0.591 30 20 GBED C=CCNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 674901580 SFRAPYSABVYEQY-LBPRGKRZSA-N 383.426 -0.328 30 20 GBED C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C 735374860 NKXRHTPRDUYDAL-ZDUSSCGKSA-N 395.466 -0.014 30 20 GBED C[C@](C#N)(NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C1CC1 745478991 PXCBKYAWADHDIS-BIBMLNIASA-N 375.381 -0.500 30 20 GBED Cn1c(=O)c2cc(C(=O)O[C@H](C(N)=O)c3ccc(C#N)cc3)cnc2n(C)c1=O 746943301 UBZCSQHRBSXGQU-AWEZNQCLSA-N 393.359 -0.113 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 823850993 XHXZHGSWNQCGEO-QGZVFWFLSA-N 397.439 -0.816 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(CC(F)F)nc2C)CC1 828749935 LADOHACPTWNBFR-UHFFFAOYSA-N 375.401 -0.318 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 831556121 ICFZIRSMMVWQMK-NSHDSACASA-N 396.391 -0.991 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](O)Cc2ccccc2Cl)CC1 831568393 HOCVLUVRPSMXHC-HNNXBMFYSA-N 385.873 -0.145 30 20 GBED CN1CCN(S(=O)(=O)c2cccc(NC(=O)N[C@@H]3CNC[C@@H]3C#N)c2)CC1 841081245 RULACZCILPMHTM-XJKSGUPXSA-N 392.485 -0.144 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCCN2CC#C)CCN1C 846280008 AESSXNKYCQTTQL-AABGKKOBSA-N 399.539 -0.560 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(c3cn(C)nc3C)=NO2)CC1 932037712 CBBHLPDMASIMNN-KRWDZBQOSA-N 386.456 -0.495 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@@H]1O 964490410 ULLQKRBVDCBRKZ-KRXQYRFLSA-N 379.457 -0.332 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 968367369 DJOHAUMQRBZPTF-GUSZCTEKSA-N 390.440 -0.547 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](C)S(C)(=O)=O)nn1 996514220 NZJFRTROIIUBDY-OPDFLTKYSA-N 381.458 -0.241 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCN(C)C(=O)C1 997760075 FAYZNSULHWSHEY-NRKLIOEPSA-N 390.484 -0.400 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCc2nc(O)n[nH]2)C1 1070295019 HITWVXIDLSVZBM-XFMPKHEZSA-N 388.432 -0.375 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cccc(-n2cnnn2)c1 1111381739 YXXLEZYWVWDNPL-BMFZPTHFSA-N 380.412 -0.363 30 20 GBED CN(C)C(=O)CCNC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1117078309 QGXZYJHMFMMSJM-UHFFFAOYSA-N 375.404 -0.060 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O 1118639176 NCLUCEUQAGUMMQ-FZKQIMNGSA-N 378.429 -0.679 30 20 GBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CC[C@H](C(F)(F)F)O2)C1 1193919218 ORZMFJSUSBJMDQ-REWJHTLYSA-N 391.390 -0.213 30 20 GBED COc1ccc(OC)c2c1CN(C(=O)C(=O)N1CCO[C@H](C#N)C1)C[C@H]2O 1261304176 KKFVWGKBXLDASV-DGCLKSJQSA-N 375.381 -0.170 30 20 GBED CS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1316362833 MTKPAJHBFGCDFU-AWEZNQCLSA-N 391.457 -0.458 30 20 GBED Cn1cc(C(=O)NCC2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)cn1 1319960438 PGOHESNNZAGRDE-UHFFFAOYSA-N 398.427 -0.253 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CC(=O)N(C2CC2)C1 1323596056 SHOXLGMJMWXNOP-LLVKDONJSA-N 376.438 -0.148 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NCC1CCN(C2CC2)CC1 1346279032 YZLKWHORPOEMLO-MSUUIHNZSA-N 389.456 -0.380 30 20 GBED N#Cc1ccc(N2CCN(C(=O)NCc3nnc4c(=O)[nH]ccn34)CC2)nc1 1479355642 NBVKSNVFRJMDLJ-UHFFFAOYSA-N 379.384 -0.284 30 20 GBED C=CCn1cc(C(=O)N[C@H]2CCCN([C@H](C)C(=O)NCc3cnn[nH]3)C2)nn1 1575112156 PWXBHEIOHFTYMW-OLZOCXBDSA-N 387.448 -0.519 30 20 GBED C#C[C@@H]1COCCN1C(=O)C(=O)N(C)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 1588331235 PSUZLTJYWFOCGE-HUUCEWRRSA-N 384.396 -0.781 30 20 GBED C#CCN(CC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)O)C(=O)OC(C)(C)C 1588466196 ZGGYZJOJOOKXDF-LBPRGKRZSA-N 388.442 -0.043 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C(=O)O)CC1 1588486247 OGSLSRJXOPERBX-UHFFFAOYSA-N 387.439 -0.841 30 20 GBED CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(CC#N)CCC(=O)O 1598285172 BYICJDUJIWZEDD-UHFFFAOYSA-N 375.428 -0.074 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(-c4nn[nH]n4)c[nH]c3c2)CC1 1602722242 IDQCHIIZTMDTBS-UHFFFAOYSA-N 392.423 -0.145 30 20 GBED C=CCOCCCC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 1602870595 KMYMLPYZTQDKDI-CYBMUJFWSA-N 388.432 -0.039 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc(N)n3)CC2)cc1 1629486350 ZPLZWJZHCLUOAD-UHFFFAOYSA-N 375.414 -0.735 30 20 GBED Cc1cc(O)nc(N2CCC[C@@H](NS(=O)(=O)N3CCO[C@H](C#N)C3)C2)n1 1671505566 STDJTPOESSLYIZ-CHWSQXEVSA-N 382.446 -0.482 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778257046 HDLYPJYFUPRGRO-PXNSSMCTSA-N 394.516 -0.345 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnn3)C[C@@H]21 1784502974 MAIOIFZZXNIJKB-UGUYLWEFSA-N 377.445 -0.151 30 20 GBED CNC(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788676869 RCEBDKOKIJSPII-DRERCTCGSA-N 390.440 -0.186 30 20 GBED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N)[C@@H]1SC(=N)NC1=O 1795418443 RTWRXUSSGIAWCS-ZCURGHERSA-N 393.469 -0.318 30 20 GBED N[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)c1cccnc1 1795682098 LXKVYJLIGKAZBI-YGTYGHESSA-N 386.408 -0.851 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1OCC3)C2 1800778359 OTMQJXUEYXACID-ZSBFGKGUSA-N 384.388 -0.087 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)CCn2cncn2)[C@H]1c1cccnc1 1812882364 MXPQPUHRYWASSK-BEFAXECRSA-N 396.407 -0.143 30 20 GBED NC(=O)[C@H](N)CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1826937680 JIJRVVWNECBKTI-CABCVRRESA-N 392.456 -0.713 30 20 GBED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1831471738 VQRFBKBGPRMBEO-SFHVURJKSA-N 380.445 -0.339 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1835363915 FYKXOWJNXAERLQ-QGZVFWFLSA-N 376.417 -0.572 30 20 GBED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)nn1 1838351968 DJDWDVLYFVDRSK-SJCJKPOMSA-N 396.469 -0.127 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC(C)=O)CCO2)C1 1839874226 URYCDIFMZJTELI-CLCXKQKWSA-N 397.472 -0.442 30 20 GBED COC[C@@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259428 OYYGFRXODUEQEK-MBTVCVBTSA-N 393.488 -0.187 30 20 GBED C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCOCC1 68792310 JGGSHCACXBWXFR-CYBMUJFWSA-N 394.453 -0.144 30 20 GBED N#CCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 264139003 AYCCYTBHMDPXND-UHFFFAOYSA-N 384.483 -0.043 30 20 GBED CCn1c(=O)/c(=C\c2cnn(C(C)C)c2)s/c1=C(/C#N)C(=O)NCCOC 264832950 UPTNCEFWSHAJIY-NVXPLGMQSA-N 389.481 -0.027 30 20 GBED C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 275613946 IYRBJGLNGNUJLX-CQSZACIVSA-N 397.439 -0.338 30 20 GBED Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCn2cnc(C#N)n2)[C@H](C)O)cc1 287064191 XMCFEEYVRZBPIK-WFASDCNBSA-N 392.441 -0.698 30 20 GBED Cc1c(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@](F)(C#N)C2)nnn1C 348344842 KQYPHMPSLFWAIL-GFCCVEGCSA-N 394.454 -0.477 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)CC1=O 349473182 HTJJFVWZWGAHKL-UHFFFAOYSA-N 394.519 -0.566 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 374451151 UOQWRDYUDKKKLR-OAHLLOKOSA-N 388.490 -0.193 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN2C(=O)CC[C@H]2C1 460727483 ORISYQDEEPUTGS-AWEZNQCLSA-N 393.407 0.219 30 20 GBED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)c2cnn(C)c2C#N)c1 475650551 ZYFBSVFQEAHQEE-SNVBAGLBSA-N 390.425 -0.043 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCCc1nnnn1-c1ccccc1 509332368 QSULXQPTCHOGCS-UHFFFAOYSA-N 379.446 -0.099 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N1CC[C@H](Nc2ncccn2)C1 573608651 ACXJLCUHIQIAKB-LBPRGKRZSA-N 397.443 -0.242 30 20 GBED Cn1ncc2c(N3CCN(C(=O)CN4CC[C@](O)(CC#N)C4)CC3)ncnc21 592149661 TUPRRXYGAZBBOB-GOSISDBHSA-N 384.444 -0.638 30 20 GBED Cc1nc(=NS(=O)(=O)c2cccc(S(=O)(=O)N[C@H](C)CC#N)c2)n(C)[nH]1 594632633 LENNKPABRUBVJP-SNVBAGLBSA-N 398.470 -0.073 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NCCn2cc(C(=O)O)nn2)c1 683299190 DSHWEIYEXMZGSH-UHFFFAOYSA-N 379.398 -0.129 30 20 GBED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cnn(CC)c2)c1=O 732563007 PKKNLLHRMZYJSW-UHFFFAOYSA-N 375.454 -0.588 30 20 GBED CC(C)(C)OC(=O)N1CCN(CC(=O)OCCn2ncc(C#N)c2N)C(=O)C1 741437514 XNTUTNZXTGHRIM-UHFFFAOYSA-N 392.416 -0.041 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 741804901 CRPUKUSQJCZECK-UHFFFAOYSA-N 377.426 -0.676 30 20 GBED Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(=O)n(C)c1=O 756896102 ZCDMKBDIKKJHNP-PWSUYJOCSA-N 377.401 -0.427 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NC(=O)NC1CC1 767678588 FGYVZCRNFULXQZ-JTQLQIEISA-N 394.409 -0.244 30 20 GBED C=CCS(=O)(=O)CCNC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 783546283 JFGQNTCRONFXRP-UHFFFAOYSA-N 385.467 -0.216 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCCN(CC(=O)N(CC)CC)CC1)[C@@H]1CCCO1 809311658 IOPGSAYTHXPILS-IRXDYDNUSA-N 392.500 -0.314 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@]23C(=O)Nc2ccccc23)CC1 828757847 BZCAXKYATXIDIC-RDTXWAMCSA-N 388.449 -0.492 30 20 GBED COCCNC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 916889047 JDBIHZSREYSZKF-HNNXBMFYSA-N 395.437 -0.207 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](NC(=O)OCC)C2)c1=O 917461668 WCQZSWPQVKGAIP-CQSZACIVSA-N 393.444 -0.288 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cnn(C)c2OC)[C@H](OC)C1 944259602 KEIKDYDWJYNDPC-REBRKWNGSA-N 378.429 -0.025 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 957530071 IBHSJTGZTMXEQD-CZXHOFHRSA-N 379.417 -0.366 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2nc(C)no2)C[C@@H]1O 964504183 SFHKCRNNYJQZJC-LOUJCGABSA-N 378.429 -0.020 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)[C@@H]2C1 974705609 ZWRUUFSDJWUTSZ-LPWJVIDDSA-N 377.401 -0.660 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1O 1023939977 VUUDSIQRCKHXEP-HWMZRRJGSA-N 375.425 -0.332 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCc1nnc(C)s1 1109490193 JMJMTWOWKPEEDK-RDBSUJKOSA-N 377.470 -0.166 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc2c(c1)C(=O)NC2=O 1109998096 MLBMGHIOKIPJPZ-KCXAZCMYSA-N 380.404 -0.345 30 20 GBED CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccccc1C#N 1110860761 CURMWCSKTORVPR-OAGGEKHMSA-N 377.470 -0.166 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O 1118639178 NCLUCEUQAGUMMQ-SCLBCKFNSA-N 378.429 -0.679 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)cn1 1255122662 AGGHRWLEPCWXIN-UHFFFAOYSA-N 384.483 -0.163 30 20 GBED O=C(NCCCN1CCCCC1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1323389720 WVXWJOSPQPTEAY-NXVVXOECSA-N 377.445 -0.379 30 20 GBED C=CCN(C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)[C@H](C)COC 1328346702 RSLCYBSMKXASRT-CYBMUJFWSA-N 393.531 -0.469 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)C1 1328817193 YKIZORNVMJOCSH-SWLSCSKDSA-N 390.437 -0.945 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)C(C)C)C1 1347202269 ZOHGWYJPOZEAQV-AWEZNQCLSA-N 387.502 -0.286 30 20 GBED C#CCN(C(=O)c1cnn[nH]1)C1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 1573283270 QROWPAKBFWTXPW-UHFFFAOYSA-N 379.388 -0.481 30 20 GBED C#CCNC(=O)CNC[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@H]1C 1573285672 KXTMJAFMSZAWLX-OCCSQVGLSA-N 384.444 -0.368 30 20 GBED C#CCOCCC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573286850 JFHCEZNVHKWCQG-GFCCVEGCSA-N 387.400 -0.808 30 20 GBED C#CCN(C(=O)CCCc1cnn[nH]1)C1CCN(C(=O)C2(C(N)=O)CC2)CC1 1574894868 JLJDVXBWFUQGKB-UHFFFAOYSA-N 386.456 -0.154 30 20 GBED C=C[C@@](C)(CCOC)C(=O)N[C@H]1CCN(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575072960 MJCDIIVIZFEPNH-UGSOOPFHSA-N 392.460 -0.243 30 20 GBED C[C@@H](CCCNC(=O)CC(=O)NCc1cnn[nH]1)NC(=O)c1ccc(C#N)[nH]1 1575526426 CRKOFHFJACWJPP-NSHDSACASA-N 386.416 -0.274 30 20 GBED C#Cc1ccc(C(=O)N(C)C[C@H](O)CNc2nccnc2-c2nn[nH]n2)cn1 1588365599 ZUYMTODUDHZTRA-CYBMUJFWSA-N 379.384 -0.422 30 20 GBED C#Cc1ccc(C(=O)N(C)C[C@@H](O)CNc2ccc(-c3nn[nH]n3)nn2)cn1 1602735765 RPLUSZINUMYZQQ-ZDUSSCGKSA-N 379.384 -0.422 30 20 GBED C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ccc(C#N)cc1C(=O)O 1604620730 BTCKNNZADFUTSK-NSHDSACASA-N 380.426 -0.003 30 20 GBED N#CCSCC(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1606351207 PNSYRNMFIYYDJO-UHFFFAOYSA-N 378.418 -0.998 30 20 GBED Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCCS1(=O)=O 1693553967 IVRYRBUNYXLFBM-HNNXBMFYSA-N 379.490 -0.201 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779879815 UFXVJRUPQMZKSA-IBGZPJMESA-N 385.424 -0.178 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1781266930 FGHAILZHJPHCBW-QGZVFWFLSA-N 398.485 -0.048 30 20 GBED CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566547 WMNZEAJHCZWHNK-SJCJKPOMSA-N 382.369 -0.534 30 20 GBED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567876 FUXKVAICXJRJEE-HXUWFJFHSA-N 397.387 -0.145 30 20 GBED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)CCC1 1785369325 APWPNWOEBVNHNU-IBGZPJMESA-N 386.408 -0.565 30 20 GBED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795081039 MNDAFRUNSDNLJG-XFMPKHEZSA-N 396.444 -0.625 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccccc2=O)c1 1795775018 XCIMKKMTAOUZFV-CCWDJLKJSA-N 395.419 -0.049 30 20 GBED C[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1796186562 SXYVRIPXWAVAPE-CHWFTXMASA-N 376.442 -0.012 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2 1799397436 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381.454 -0.292 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1840203724 PYTHXOQAMGJGDL-HNNXBMFYSA-N 393.362 -0.303 30 20 GBED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841846653 GCTZPYSEIJKHDE-UHFFFAOYSA-N 378.429 -0.276 30 20 GBED COC[C@@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 268678311 ZJAYBMROTLAKDO-MRXNPFEDSA-N 380.426 -0.534 30 20 GBED COCCN(CC(=O)N(C)C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 268776670 AKWFCFWBNFTGIT-ZDUSSCGKSA-N 396.469 -0.212 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(O)(C(=O)OC)CC2)cc1 271239714 FMEKXOGEZHJANT-UHFFFAOYSA-N 380.422 -0.262 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 281896846 WVBKGNZSIYSJMK-HZPDHXFCSA-N 394.472 -0.320 30 20 GBED CNC(=O)CN1CCC(/N=C(/O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 330733950 KNOYGMJJOIBFQI-NSHDSACASA-N 379.383 -0.136 30 20 GBED N#CCN1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 332922378 JEFPXQOWACHMOO-BZUAXINKSA-N 396.513 -0.236 30 20 GBED Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)s1 349452769 DQNUBVSTZGWMHU-UHFFFAOYSA-N 394.500 -0.127 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 437042481 NQEDYYFKTDAWPO-CJNGLKHVSA-N 388.424 -0.062 30 20 GBED COC(=O)[C@@]1(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCOC1 446494511 WILKMMLISFHSCR-MRXNPFEDSA-N 381.410 -0.373 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[S@@](=O)[C@H](C)C1 460711424 XUFGQKYKNVTIME-MUDIAHQHSA-N 386.437 0.365 30 20 GBED CCN1C[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)CC1=O 516980944 GMMCBCKAUKWTDW-NSHDSACASA-N 386.455 -0.612 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC2(N3CCOCC3)CC2)c1 518449052 CVJARZJZUIZOES-UHFFFAOYSA-N 378.454 -0.182 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CC(N)=O 524281005 AMPZKLFRNXZLKE-UHFFFAOYSA-N 390.490 -0.206 30 20 GBED C=CCCOCCNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 536034423 GGESWKWHDYCMAN-UHFFFAOYSA-N 389.522 -0.602 30 20 GBED CC(C)(C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)cc1 577866052 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381.520 -0.026 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[C@H]2O)nc1 349539334 WASDXBKIEIGAGQ-CHWSQXEVSA-N 388.471 -0.082 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CO[C@@H](C)C2)c1C#N 349578553 SORTWPLBVXNRTJ-GXSJLCMTSA-N 391.475 -0.182 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC1 362741665 OCIUDUTWQMTCDR-UHFFFAOYSA-N 382.420 -0.190 30 20 GBED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C[C@@H](C)O1 408124911 UPECKNWMERLXAW-CHWSQXEVSA-N 381.458 -0.002 30 20 GBED CC#CCCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 440735301 WJGPSTUKGDWLRV-KBPBESRZSA-N 375.429 -0.013 30 20 GBED COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 457261768 LCZYPFBOCIUBCJ-JKOKRWQUSA-N 381.410 -0.640 30 20 GBED COCCOC[C@@H](C)NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460622171 UXIOBVIDKUKRIY-CYBMUJFWSA-N 386.412 0.554 30 20 GBED N#CCN1CCC(CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 464802316 NPRSCUFYTRWWGK-KRWDZBQOSA-N 377.489 -0.481 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N(CC#N)CC(=O)OC)cc1 468989787 NQOOTYAIBVMXBD-UHFFFAOYSA-N 397.409 -0.333 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1cc(C#N)ccc1C 498878020 WTTZHNVUQNNYCJ-AWEZNQCLSA-N 395.437 -0.065 30 20 GBED C=CCN(CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 533065224 GHKXFWABNYLETD-KGLIPLIRSA-N 378.516 -0.303 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](O)C(F)F)cc1 563976191 SYDQKDPDMXBXRZ-NSHDSACASA-N 383.398 -0.265 30 20 GBED CNC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)NC(C)(C)C#N 565231459 OFHDBACECLACRU-SNVBAGLBSA-N 388.471 -0.320 30 20 GBED COC(=O)c1cn(CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)nn1 575078112 DCZQABOLQKMRQO-UHFFFAOYSA-N 388.388 -0.357 30 20 GBED CN1CC[C@H](N(C)S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)C1=O 575429947 IJVKJSLLRLKXAJ-NSHDSACASA-N 380.492 -0.910 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cc1 589343574 LIBHCIWMMADQHD-CYBMUJFWSA-N 386.455 -0.884 30 20 GBED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 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C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nccn3cc(C)nc23)C[C@@H]1O 970707386 XEPUJOYIPXKVDJ-KBXIAJHMSA-N 385.424 -0.070 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1n1ccnn1 990962828 KCVLECKEYYZEJY-WCVJEAGWSA-N 385.428 -0.297 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)CN1CCNC(=O)C1)C2 1008390163 OUCWXRMNFVVIGL-QOIOWGMHSA-N 390.484 -0.493 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@@H]1n1ccnn1 1070031136 HDCDVAARONADJN-NCOADZHNSA-N 388.472 -0.169 30 20 GBED N#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1070378397 OKYLYZKJOIWGCR-CTASWTNQSA-N 377.445 -0.982 30 20 GBED C=CCN1CC[C@@H](N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN(C)C(=O)COC)C1=O 1110623838 TXSLXWSXKWONSL-LVQVYYBASA-N 378.473 -0.400 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1(NC(N)=O)CCCCC1 1111100969 GKAJWTRJUWYDAG-MCIONIFRSA-N 376.461 -0.281 30 20 GBED C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C 1214950059 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C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3cnn(C)c3)CC2)c1=O 173901312 ZKXPAIJICBQRAH-UHFFFAOYSA-N 387.444 -0.943 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)cn1C 287935555 VLVCMYDKQKPOIW-UHFFFAOYSA-N 399.454 -0.112 30 20 GBED CN1CCN(Cc2cccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)c2)CC1 288001487 OTGWYCHTGSDARL-UHFFFAOYSA-N 396.455 -0.348 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(CCN3CCCS3(=O)=O)CC2)cc1 333519574 ZAJUCPFFICDMGL-UHFFFAOYSA-N 398.510 -0.100 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)CC[S@@](=O)C1 349464300 WBLMDSYKJOPUNL-XUSGNXJCSA-N 385.533 -0.808 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](O)C12CCCC2 349481343 OMOWVTYOSISGQE-STQMWFEESA-N 379.504 -0.083 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(CO)C2)c1C#N 349485003 SYIFKBYLNVGYRP-UHFFFAOYSA-N 391.475 -0.634 30 20 GBED CCN1CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)CC1=O 349487824 DDGLNIMMFGPFSY-CYBMUJFWSA-N 394.519 -0.566 30 20 GBED CNC(=O)[C@@]1(C)CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)C1 349489716 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Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC[C@]1(O)CCCOC1 593716253 OUCUOJWPQBKQND-LJQANCHMSA-N 398.423 0.434 30 20 GBED COc1ccc(C#N)cc1NC(=O)C(=O)N(CCN(C)C)CC(=O)N(C)C 595158181 HMFXMERNCQDDMP-UHFFFAOYSA-N 375.429 -0.016 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)C2CCN(S(=O)(=O)CC)CC2)CC1 729256911 MFHDRGQQNSGJMD-UHFFFAOYSA-N 398.529 -0.668 30 20 GBED N#C[C@H](C(=O)Cc1cnn(-c2ccccc2)n1)C(=O)N1CCS(=O)(=O)CC1 732911088 WVICJVFEORWNOP-OAHLLOKOSA-N 387.421 -0.224 30 20 GBED COC(=O)CN(CC(=O)O)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 737609005 SGLWIYKVGNWYAB-UHFFFAOYSA-N 383.382 -0.422 30 20 GBED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccnn2C)c1=O 758075742 LVJTUPNFDLXIGZ-UHFFFAOYSA-N 399.501 -0.645 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ccccc3)C(=O)C2)c1=O 764952244 YZJSRPARDAWXPT-UHFFFAOYSA-N 397.435 -0.150 30 20 GBED C#C[C@@H](NC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1)[C@@H]1CCCO1 773795337 NSDUTNDSYZNISX-CABCVRRESA-N 384.392 -0.026 30 20 GBED C#CCN(CC#CC)S(=O)(=O)CCCS(=O)(=O)N(CC#C)CC#CC 799777832 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QIRUJZIEBBMNLR-MRXNPFEDSA-N 385.428 -0.654 30 20 GBED N#Cc1nc(N)n(CC(=O)NCCCN2CCCCCC2=O)c1-c1nn[nH]n1 826387920 YVVUUDNXOKZAGM-UHFFFAOYSA-N 386.420 -0.574 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 831560757 HODCSDQHFUPSAB-HNNXBMFYSA-N 398.529 -0.117 30 20 GBED C#CCN1CCC[C@H](NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)C1 891606947 KBUJYZHHXJDJMJ-INIZCTEOSA-N 383.452 -0.225 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(=O)NCCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1001778860 FVCMFQPXIGKHIU-QOIOWGMHSA-N 391.468 -0.209 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nnc(O)nc2O)cn1 1004745339 SLTIKOCSPXGGKW-UPJWGTAASA-N 380.364 -0.165 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1043681535 UYEONKXRHHKUHI-QXSJWSMHSA-N 381.473 -0.624 30 20 GBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nc2)C[C@@H]1n1ccnn1 1051472797 YMSWYBMFHXZJBQ-IEAZIUSSSA-N 383.412 -0.105 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@@H]1O 1083853165 FUFPOWAACMHWQS-YVSFHVDLSA-N 386.514 -0.046 30 20 GBED C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 1116729158 MBIOMIFRSMXLIJ-GFCCVEGCSA-N 394.457 -0.480 30 20 GBED N#CC1(OCCOC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CCOCC1 1122872106 ZMLOUFWHKPVZEQ-QHSBEEBCSA-N 378.381 -0.219 30 20 GBED N#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1129103853 UQURBWWIJJVVQU-KSXIZUIISA-N 387.444 -0.926 30 20 GBED CCN(CCC#N)C(=O)COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1251197528 YIKRIBFPQJPWEH-CHWSQXEVSA-N 385.442 -0.673 30 20 GBED C=C(C)COCCNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 1323604267 TZCKIAPUEHLXIF-CQSZACIVSA-N 387.444 -0.130 30 20 GBED N#Cc1cccc([C@@H]2CN(C(=O)C(=O)NCc3nnc4n3CCOC4)CCO2)c1 1323828217 IMAZPUUNLVBFRM-HNNXBMFYSA-N 396.407 -0.104 30 20 GBED O=C(CCn1nnc2ccccc2c1=O)NCCN/C(O)=C1\N=CC=CC1=O 1327442512 ISTWTUGYEIYQTO-WUKNDPDISA-N 382.380 -0.176 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)C1 1332492268 DAJWAOYBAMDMDH-QGZVFWFLSA-N 394.453 -0.339 30 20 GBED N#Cc1ccccc1N1CCCN(C(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1335345071 YWNKEQLUZKKKIP-OAHLLOKOSA-N 390.465 -0.100 30 20 GBED N#Cc1cc(C(=O)NCC2[C@@H]3CN(c4nccnc4-c4nn[nH]n4)C[C@@H]23)c[nH]1 1581865211 FRTYDDLDZAUHKW-STQMWFEESA-N 376.384 -0.031 30 20 GBED N#Cc1ccc(C(=O)NC[C@H]2[C@@H]3CN(c4cncc(-c5nn[nH]n5)n4)C[C@H]23)[nH]1 1581867796 WFZGDCKMYHMKAF-CNDDSTCGSA-N 376.384 -0.031 30 20 GBED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 1586522756 WHPPPDPXGSTJQB-ZIAGYGMSSA-N 377.426 -0.575 30 20 GBED C#CCNC(=O)CN1CC[C@@H](N(CCC)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588354734 XNIRZROBTZGYAJ-CQSZACIVSA-N 384.444 -0.129 30 20 GBED C#CCOCCC(=O)N1CCC(O)(CNc2ccc(-c3nn[nH]n3)nn2)CC1 1588359348 LQTRETMVBAAHTC-UHFFFAOYSA-N 386.416 -0.538 30 20 GBED C=C[C@@H](C(=O)O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1588669259 HOZZUGALDQABPX-HNNXBMFYSA-N 396.469 -0.136 30 20 GBED N#CCSCC(=O)N1C[C@H]2[C@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H]2C1 1592680483 OZWLGIPNCZGQRH-RTCCRHLQSA-N 386.441 -0.114 30 20 GBED C=CCN(C)CCN(CC)C(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O 1602847605 WTAGLCROGVAFNF-UHFFFAOYSA-N 376.421 -0.515 30 20 GBED N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCOC2)CCO1 1770752523 WOMVTODDMLWKCI-CXAGYDPISA-N 376.417 -0.719 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779096520 NUEPXTJCUMUKLX-PKOBYXMFSA-N 379.457 -0.730 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cccnn4n3)C2)C1 1779961362 BNKNONPHCDATOE-GOSISDBHSA-N 383.364 -0.739 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21 1788573013 MACPVCGFMSQQLS-XUXIUFHCSA-N 381.477 -0.978 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)C1CC1 1792898058 GLPZNKVOJBQKCX-QDMKHBRRSA-N 376.457 -0.163 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)n[nH]1 1795692846 LOTCFOHIXWHODS-NDPMZMCLSA-N 378.429 -0.108 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2 1797708444 ZESZDSKRDMMFFT-QKDZRIPBSA-N 397.472 -0.788 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1c[nH]c(=O)cn1)CC2 1825669965 WZOZVTZLFFIECP-QMMMGPOBSA-N 387.377 -0.460 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1830054558 SZQANGLEOVDSRV-UGSOOPFHSA-N 378.429 -0.729 30 20 GBED C#CC(=O)N1CCC(N2CCC(NC(=O)CCN3CCOCC3)CC2)CC1 1834638360 DHBTWBSKCRHIQX-UHFFFAOYSA-N 376.501 -0.087 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(CC)COC1)CCO2 1839775710 QHLCBHSONBUTGI-OXJNMPFZSA-N 394.468 -0.092 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2 1839874343 WNVWFCBTASJXQM-RDTXWAMCSA-N 399.513 -0.113 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840161042 CIZOSFQHSQIBJZ-IGCXYCKISA-N 385.486 -0.548 30 20 GBED Cc1nn[nH]c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813469 BAGWLZJBXRNXJZ-GOSISDBHSA-N 388.428 -0.123 30 20 GBED CN(C)C(=O)NCC(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1841134622 QCJJRKRSHXLUIS-UDWIEESQSA-N 378.477 -0.067 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1841604330 NCRXSOPXCKIHEV-CQSZACIVSA-N 388.424 -0.501 30 20 GBED C[C@H](C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)n1cnnn1 1846646236 DRNPNNZUZFLCAO-MDUBYEFESA-N 391.432 -0.034 30 20 GBED C/N=C(/NCC(=O)N1CCCC1)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 156995994 BDRGEEVRXITGBV-MRXNPFEDSA-N 378.521 -0.187 30 20 GBED CC/N=C(/NCC1CCN(S(C)(=O)=O)CC1)N1CCO[C@@H](COC)C1 261968444 QAYOVVSSKLETFY-OAHLLOKOSA-N 376.523 -0.029 30 20 GBED C/N=C(/NC[C@@H]1CN2CCN1CC2)N1CCN(CC(=O)N2CCCCC2)CC1 262814699 WITTUQURORXFIX-GOSISDBHSA-N 391.564 -0.808 30 20 GBED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1ccc(C#N)cc1 280937938 CIFPMTRAKXVQJV-UHFFFAOYSA-N 380.470 -0.031 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 281755724 JOQMHFVPEXFQDH-GFCCVEGCSA-N 391.475 -0.542 30 20 GBED CN(C)CC[C@@](C)(O)CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 420032211 GHGYAKDQPHEQDZ-QGZVFWFLSA-N 382.486 -0.002 30 20 GBED Cc1ccc(C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1S(=O)(=O)NCC#N 431608009 XPCNOOHVOZVHKV-ZDUSSCGKSA-N 377.426 -0.354 30 20 GBED CCS(=O)(=O)N1CC(CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)C1 433677570 LRMLRJRSDHEPSF-UHFFFAOYSA-N 376.438 -0.155 30 20 GBED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2C[C@H](O)[C@H](O)C2)n1 434563526 CWTDUUNDGOITGW-BETUJISGSA-N 375.772 -0.100 30 20 GBED COCCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 473593290 VTAIAQKVUFTQFV-UHFFFAOYSA-N 387.440 -0.805 30 20 GBED Cc1ncc(S(=O)(=O)NCCNS(=O)(=O)Cc2ccon2)cc1C#N 489590736 KZEMBSWFOOKGBR-UHFFFAOYSA-N 385.427 -0.352 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCNC(=O)c2cnccn2)cc1 522626940 FELHGRTZURWJJZ-UHFFFAOYSA-N 387.421 -0.191 30 20 GBED CN1C(=O)C[C@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)[C@H]1c1ccnn1C 530270944 BBXZLHGAISUHEH-WFASDCNBSA-N 397.395 -0.843 30 20 GBED COCCN(C)C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 561470243 BEUFOEZAUGBYSH-QGZVFWFLSA-N 396.513 -0.196 30 20 GBED CNC(=O)CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC(C)(C)C#N 572423788 MPRZROHSVSWCRM-UHFFFAOYSA-N 388.471 -0.366 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCCOCCO)cc1 575430321 XZFJYZYKBLVQGQ-LBPRGKRZSA-N 391.471 -0.446 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@]1(O)CN2CCC1CC2 577123195 DYXKORUSBYQZRV-ACJLOTCBSA-N 392.481 -0.202 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)C[C@@H]1N(C)C 577867433 ZQSOJOVHFVDIMZ-OLZOCXBDSA-N 380.536 -0.190 30 20 GBED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C)c(C#N)cn1 579490620 BGUVZUNOAIUEID-QWRGUYRKSA-N 375.385 -0.227 30 20 GBED C[C@@]1(C(N)=O)CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 587659310 KWMOHDDYAMREIS-LJQANCHMSA-N 384.440 -0.238 30 20 GBED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588870538 MEYRWXDTTHBLMA-CJNGLKHVSA-N 397.435 -0.488 30 20 GBED C[S@](=O)C1(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)CC1 594626492 WFBGGPRWNKUMAW-QFIPXVFZSA-N 391.496 -0.322 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NOCc2ccccc2)C1=O 726043111 PUZILPUGNBLEQO-UHFFFAOYSA-N 375.337 -0.246 30 20 GBED CCN1CCN(CC(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C(=O)C1=O 730407344 IUYKSVWSKXTPED-UHFFFAOYSA-N 398.828 -0.293 30 20 GBED N#CCOc1cccc(CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 760436812 RTVKXHAHXUYDHL-DLBZAZTESA-N 393.465 -0.255 30 20 GBED C[C@H](C#N)OCCOC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 801822789 YHMFBRZCLJLRQR-GFCCVEGCSA-N 381.410 -0.107 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1OC 946819039 UXBDXGHVAWFHOW-MCYUEQNJSA-N 377.397 -0.075 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cncc(OC)n2)C1 1023701352 AKVAFDNULQWPDD-NGFQHRJXSA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c(C)nnn2CC)C[C@H]1O 1023960906 ZTGZSEVLHOAMFN-TUVASFSCSA-N 377.445 -0.111 30 20 GBED Cn1c(=O)ccn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(C#N)cn2)c1=O 1055465535 OPGSLKSCKVTXSZ-MCIONIFRSA-N 381.396 -0.865 30 20 GBED Cn1cc(N2CC[C@@H](NC(=O)C(=O)NCc3ccc(OCC#N)cc3)C2=O)cn1 1117258021 ILJCMFITLPMCBO-MRXNPFEDSA-N 396.407 -0.140 30 20 GBED N#Cc1cccc([C@@H]2CN(C(=O)C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)CCO2)c1 1117559401 IEGVOIZMLORBMG-JYJNAYRXSA-N 386.408 -0.393 30 20 GBED CS(=O)(=O)N=S1(=O)CCN(S(=O)(=O)c2cccnc2C#N)CC1 1117775243 NLPNZKKRPMBQTP-UHFFFAOYSA-N 378.457 -0.615 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CCO1 1117858563 MQRXEMHUTKGVSX-CVEARBPZSA-N 387.392 -0.141 30 20 GBED CCCS(=O)(=O)NC1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 1321191669 IRSGKOHMTUDEMS-ZDUSSCGKSA-N 380.492 -0.751 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](CN)C1 1329449467 ZRCOCMDLJWAELW-MNOVXSKESA-N 385.408 -0.311 30 20 GBED CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1329455990 XPVAAASCRFTSHE-HNNXBMFYSA-N 390.488 -0.163 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NC2CCN([C@@H]3CCC[C@@H]3O)CC2)nn1 1332042155 IWFQYFWFEVNCRO-CVEARBPZSA-N 376.461 -0.426 30 20 GBED Cn1c(Cn2cnc(C#N)n2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1343516597 BIDURVMLIHVSTE-UHFFFAOYSA-N 384.448 -0.929 30 20 GBED CS(=O)(=O)NCC[C@@H]1CCCCN1c1cnc(C#N)c(-c2nn[nH]n2)n1 1580167565 ISFDNYUFRVMUHS-JTQLQIEISA-N 377.434 -0.173 30 20 GBED N#Cc1cn(CCNC(=O)CNC(=O)c2ccc(F)cc2F)c(=O)nc1O 1585296160 PUUGTCGOJQPALR-UHFFFAOYSA-N 377.307 -0.355 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](C)C1 1588351019 CMJWFCFZIGFKNP-WQVCFCJDSA-N 396.455 -0.131 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(O)CCN(c2nc(C)cc(-c3nn[nH]n3)n2)C1 1588504115 IZBHBYGVUFCNQU-SJORKVTESA-N 388.432 -0.650 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1COCCN1c1nc(C)cc(-c2nn[nH]n2)n1 1588504745 LUPBFXRSENVDBY-SJKOYZFVSA-N 388.432 -0.386 30 20 GBED C=CCN1CC[C@H](NCCN(CCO)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1=O 1588657216 HZXHVHQFBSYEEM-ZDUSSCGKSA-N 388.432 -0.994 30 20 GBED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1591283590 GCODSOLPGZKQHH-COPLHBTASA-N 399.411 -0.269 30 20 GBED N#CCSCC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1592678981 BQGUPITUOMNPIJ-NSHDSACASA-N 390.429 -0.591 30 20 GBED C=C[C@@](C)(O)CC(=O)N(CCO)CCN=c1cc(C)[nH]cc1-c1nn[nH]n1 1602794318 KCAWMVDVDRFNST-QGZVFWFLSA-N 375.433 -0.448 30 20 GBED C=CCn1c([C@@H]2COCCN2C)nnc1N1C[C@H](C(=O)O)[C@@H](C(=O)OC)C1 1602931948 GDWCAPMYJQWCMH-AVGNSLFASA-N 379.417 -0.223 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)c1cnn(C)c1 1639760747 VSQPYEQTNDJIJP-NSHDSACASA-N 375.410 -0.042 30 20 GBED CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1695505075 WIXLEDVWMCGESC-RYUDHWBXSA-N 385.494 -0.038 30 20 GBED CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCNS(C)(=O)=O 1723577491 MQYWNWJJVLRZDI-UHFFFAOYSA-N 383.478 -0.295 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777954956 LGBDYCBOQCLKKJ-SFHVURJKSA-N 383.364 -0.739 30 20 GBED CC[C@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1777979646 AWVXFFAGJKABFW-VEVIJQCQSA-N 394.428 -0.965 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778468228 SGJDKBMJBRMRGI-SFHVURJKSA-N 383.364 -0.739 30 20 GBED COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccc1O 1780752539 POEJMZNWUURZIH-LJQANCHMSA-N 388.376 -0.068 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(S(C)(=O)=O)c1)C2 1800452758 ZCVNEUNBNBMHAB-XOIINTDNSA-N 376.434 -0.074 30 20 GBED COCc1oncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778343 MDISTSFCXGJLTF-CULMDFNYSA-N 377.353 -0.888 30 20 GBED C#CC(=O)N[C@H]1CCc2nc(NC(=O)Cn3cc(C)c(O)nc3=O)sc2C1 1827994612 PVHVXIRFWXDKTO-JTQLQIEISA-N 387.421 -0.041 30 20 GBED CNc1nsnc1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1829751774 BZDUUOZADCFLKW-HNNXBMFYSA-N 380.430 -0.437 30 20 GBED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(O)O)CCO3)cc1 1830402928 IKBZBOZHQFTWJH-IBGZPJMESA-N 389.408 -0.867 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834167806 AJYKAWLBCOZTJX-DNVCBOLYSA-N 390.440 -0.472 30 20 GBED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834756222 UZVRETVKQVKLKE-XJKSGUPXSA-N 387.458 -0.963 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1839216349 PBFDMDAMPBJSEV-GDZNZVCISA-N 385.486 -0.618 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1839808249 VXRARKAJTWHGAF-SFHVURJKSA-N 385.380 -0.862 30 20 GBED C=CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 48619029 ROTCSZHJQYJSPX-UHFFFAOYSA-N 383.426 -0.043 30 20 GBED N#Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)cc1 264530284 NNLSXMPEXKWHID-UHFFFAOYSA-N 382.467 -0.008 30 20 GBED CCN1CCN(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C(=O)C1=O 277417711 AVWFIDGZFYYZFK-INIZCTEOSA-N 397.435 -0.534 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 281896850 WVBKGNZSIYSJMK-JKSUJKDBSA-N 394.472 -0.320 30 20 GBED C=CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 282200260 HBPWHOYPJIWRMV-UHFFFAOYSA-N 380.416 -0.139 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 298818853 ZLQHHBOZGPHJJW-CWLKWCNXSA-N 386.452 -0.132 30 20 GBED CN1C(=O)CC[C@@H](/N=C(/O)N2CC[C@@H](NS(C)(=O)=O)C2)[C@@H]1c1ccnn1C 329509317 XETJPLHRXWLFSX-LALPHHSUSA-N 398.489 -0.381 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[S@](=O)C(C)(C)CC1 349464528 JUFNEYGHMLBYJE-QFIPXVFZSA-N 399.560 -0.276 30 20 GBED C[C@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 349474585 KFAPVXCOBTZTAE-VXGBXAGGSA-N 385.533 -0.710 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)C[C@@H]1C 349501892 IUYLRIRRHCBLLB-ZDUSSCGKSA-N 378.520 -0.292 30 20 GBED CCN(CC(C)(C)O)C(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 410583122 HGVFLGLKYXXFAA-UHFFFAOYSA-N 376.461 -0.132 30 20 GBED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424514473 ZSCTWGRQSXCGNN-CYBMUJFWSA-N 379.394 -0.773 30 20 GBED C=CCn1cc(CNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)nn1 424906680 GGEFHXGKIIDQNO-UHFFFAOYSA-N 398.427 0.085 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)NCCNC(=O)c3cc[nH]n3)CC2)c1C#N 472083188 CIQTVZIXZYAOBH-UHFFFAOYSA-N 385.432 -0.415 30 20 GBED C[C@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)N1CCN(C)CC1 583902505 BUESEDUSNWFQTK-CQSZACIVSA-N 379.486 -0.411 30 20 GBED CCN(CCC#N)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C 591333015 ADVWPCDCRPOIEG-LBPRGKRZSA-N 395.503 -0.093 30 20 GBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 592914064 BOUGUDKIYBFNFD-YUTCNCBUSA-N 395.437 -0.393 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)Nc1ccn(C)n1 597573133 ZOWHQYSSQOGDQC-NSHDSACASA-N 390.425 -0.287 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C 603924517 NEMHRPKEBMXWEW-UHFFFAOYSA-N 379.388 -0.009 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(C(=O)N(C)C)c2)CC1 728589616 IYEUVCQKLMTCDZ-UHFFFAOYSA-N 392.481 -0.556 30 20 GBED COc1cc(C=NN=c2nc3[nH][nH]cc-3c(O)n2)cc(OC)c1OCC(N)=O 731154879 IHAIOSJCROLHCC-UHFFFAOYSA-N 387.356 -0.241 30 20 GBED COCCN(CC(=O)N(C)C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 733163857 WQIPOJJIFQQAFH-UHFFFAOYSA-N 396.469 -0.322 30 20 GBED C=CCOCCCC(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 745530572 PHIJULTZSBDGGU-OAHLLOKOSA-N 388.486 -0.156 30 20 GBED COCCN1C(=O)c2ccc(C(=O)N3CCOC[C@H]3C#N)cc2S1(=O)=O 748342071 JXMNDRGJGDWOFY-GFCCVEGCSA-N 379.394 -0.158 30 20 GBED Cc1csc([C@H](C#N)C(=O)COC(=O)CNS(=O)(=O)c2cn(C)cn2)n1 756450975 DQDCNQQGWUATOR-SNVBAGLBSA-N 397.438 -0.117 30 20 GBED COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NCCNc1ncccc1C#N)CC2 787760864 VUQUSDVOTILRTC-ZDUSSCGKSA-N 398.427 -0.650 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)c1=O 794898442 FMUBWWGXYPNNJY-KXBFYZLASA-N 392.456 -0.229 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2csc(C(=O)O)c2)CC1 825618938 ICWAZZJSHJZERR-UHFFFAOYSA-N 385.467 -0.108 30 20 GBED N#C[C@@H]1CNC[C@@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 834493581 FMNPWOXRVKJROY-ABAIWWIYSA-N 382.417 -0.312 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnc(OC)n2)c(=O)n1CC1CC1 853472080 UWJUZJYNSCBOTQ-UHFFFAOYSA-N 397.460 -0.076 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)C[C@H]1C 940382989 GJGUCRAFTMVPGO-OXHZDVMGSA-N 376.413 -0.346 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](OC)C1 942230890 PHQLIDFEBWRUNY-LUYZLQTOSA-N 392.456 -0.339 30 20 GBED Cc1cc(=N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)c(C#N)c[nH]1 1039622236 PFGRQBUZNOYOJV-CLWVCHIJSA-N 380.412 -0.740 30 20 GBED C=CCN(C(=O)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O)[C@@H](C)COC 1118633581 YXMVQXILZMDABE-KBPBESRZSA-N 377.445 0.000 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NC2CC2)C1 1129855974 SZVAXIISCIBTCE-NCOADZHNSA-N 388.472 -0.121 30 20 GBED C=CCN(CC=C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1194832447 OVVVPNLZUVQNOI-OKAVUVSYSA-N 375.469 -0.228 30 20 GBED C#Cc1ccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cn1 1251969564 WZNUORHYOHVYIG-INIZCTEOSA-N 390.465 -0.876 30 20 GBED COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 1321008648 GMKMCBICDPPQTE-LSDHHAIUSA-N 393.444 -0.084 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nn3c(=O)cc(C)nc3s2)C1=O 1322291106 KGSYSRCGYYKAQI-UHFFFAOYSA-N 391.365 -0.521 30 20 GBED COCc1noc(CN2CCN(C(=O)C(=O)NCC3(CC#N)CC3)CC2)n1 1324125486 LYGUEONRBLZYRI-UHFFFAOYSA-N 376.417 -0.330 30 20 GBED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 1326029200 GUOOCQZLWBKBGK-UHFFFAOYSA-N 394.453 -0.705 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CCNC(=O)c2cccs2)CC1 1329902766 WZOFYSRWVOKSGI-UHFFFAOYSA-N 384.483 -0.520 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC(OCCN3CCCC3)CC2)C1 1349343145 MMSDUDANSCVLPT-LJQANCHMSA-N 378.473 -0.033 30 20 GBED C#CCNC(=O)[C@@H](C)N[C@@H]1CC[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573285649 KGSGYYAZMXKHRC-MBNYWOFBSA-N 384.444 -0.179 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)nc1 1573300926 WLCDTJVWYPLWDG-HIFRSBDPSA-N 388.432 -0.378 30 20 GBED C[C@@H](C#N)C(=O)N(C)CCN1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1573562119 QVYHBSPPIPSLHX-LBPRGKRZSA-N 385.432 -0.429 30 20 GBED C#CCN(C(=O)C(=O)N1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1)C(C)C 1588346942 CMNDVKOAAGGZJL-UHFFFAOYSA-N 399.459 -0.573 30 20 GBED C#Cc1cccc(CNC(=O)N2CC(n3cc(-c4nn[nH]n4)c(O)nc3=O)C2)c1 1588374901 VUPAPHKWYLIISF-UHFFFAOYSA-N 392.379 -0.123 30 20 GBED C=CCNC(=O)CN1CCN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 1588658595 BRYGDNMDZMRXQN-UHFFFAOYSA-N 384.444 -0.275 30 20 GBED C=CCn1cc(C(=O)NC[C@H]2CCN(c3nccnc3-c3nn[nH]n3)C2)nn1 1588713875 XELGVSJSSQSNAV-LLVKDONJSA-N 381.404 -0.310 30 20 GBED CO[C@@]1(C(=O)O)CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 1599077452 XVNHWHNMZMFLJB-KRWDZBQOSA-N 377.401 -0.321 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@@H]2O)nc1 1602739193 AUFZQRCWFQCVKZ-KGLIPLIRSA-N 377.368 -0.988 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 1602882511 LOEAWFXKNQCZCO-PHIMTYICSA-N 382.388 -0.337 30 20 GBED Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)N2CCOCC2)cn1 1748010785 YAVJHJHIUDEEQV-QGZVFWFLSA-N 388.407 -0.021 30 20 GBED COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1779322229 HFSFTUQWUREBEM-BEFAXECRSA-N 392.456 -0.339 30 20 GBED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)C2 1782200816 HYHFMUHMADQLLQ-FZKQIMNGSA-N 381.429 -0.381 30 20 GBED Cc1cn(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)S)C3)C2)c(=O)nc1O 1783899963 ITIQJIAHPFASLG-PXAZEXFGSA-N 396.469 -0.594 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](COC)NC(C)=O 1798637483 VPYUVENIFBQTFU-USACIQFYSA-N 379.457 -0.186 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CO)c(F)c1 1801903034 DWHSXSISSGRIPB-ZSBFGKGUSA-N 390.367 -0.391 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cnnn4)C3)C2)C1 1829667067 SRUMATCYUKIXEX-KRWDZBQOSA-N 376.417 -0.904 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835114998 VEEXEDOFLHJRRH-JCKWVBRZSA-N 399.513 -0.324 30 20 GBED C[C@@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1835528730 IXTIMMIFMKWSFV-UGSOOPFHSA-N 375.429 -0.449 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cc[nH]n4)CCO3)C2)c1 1839721912 MCLLWWBYHRNYCQ-LJQANCHMSA-N 398.423 -0.078 30 20 GBED Cc1noc(N)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840159520 GQXJHQCKOBEPKF-BDJLRTHQSA-N 384.458 -0.046 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1840479871 JHLNKINWHIXZAD-SLEUVZQESA-N 384.462 -0.991 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCSC1)CCO2 1840867856 RAMMTTWIBLRCHY-KSSFIOAISA-N 396.465 -0.326 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1 139200654 IEETUMWFDXYDTD-CQSZACIVSA-N 399.494 -0.248 30 20 GBED C/N=C(/NCCNC(=O)c1ccco1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 261855395 YRDGBZNTMSWDTR-GOSISDBHSA-N 390.444 -0.105 30 20 GBED Cn1c(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c(C#N)c(=O)n(C)c1=O 268036988 MPDJKOBJFAOPRV-UHFFFAOYSA-N 395.363 -0.318 30 20 GBED CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccccc2C#N)CC1 268056166 WEESVLXBBGOBHX-UHFFFAOYSA-N 386.499 -0.051 30 20 GBED C=CCS(=O)(=O)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 273111323 RDFFHOBTEUDCQB-GFCCVEGCSA-N 385.467 -0.058 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO)CC2)c1C#N 297785164 NTZKAODZLLWOTJ-NEPJUHHUSA-N 395.485 -0.438 30 20 GBED O=C(C/N=C(/O)CN1CCN(C(=O)CN2CCOCC2)CC1)N1CCCC1 329152562 ASUZNLHTJCAOEL-UHFFFAOYSA-N 381.477 -0.958 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(/C(O)=N/[C@H](C)CN2CCN(C)CC2)CC1 330642215 FYMBZSVSVQBGCR-OAHLLOKOSA-N 382.509 -0.795 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2C[C@@H](C)[C@@H](O)C2)c1C#N 349530801 ZEIYLODOPUGGDN-SKDRFNHKSA-N 391.475 -0.636 30 20 GBED CCn1c(N)c(C(=O)CN2CCN(c3ccc(C#N)nc3)CC2)c(O)nc1=O 374566611 RALOFAVTOSFKGR-UHFFFAOYSA-N 383.412 -0.177 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC2)cs1 410495399 XAZLRPUPCXNNJW-LLVKDONJSA-N 399.498 -0.098 30 20 GBED CCC(=O)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1 576291371 HPCCQWHFFVHFKC-UHFFFAOYSA-N 386.455 -0.311 30 20 GBED C=C(CNC(=O)[C@@H](C)CN1CCOCC1)CNC(=O)[C@@H](C)CN1CCOCC1 620747666 DXHWPIOVVMXENT-ROUUACIJSA-N 396.532 -0.288 30 20 GBED C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(CC(=O)O)cc2)CC1 736106037 QYZDFNABAUAOIF-UHFFFAOYSA-N 381.454 -0.078 30 20 GBED C[C@H](CC(=O)OCC(=O)N1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 744112690 UEYUUMXALRLQLC-GFCCVEGCSA-N 395.437 -0.094 30 20 GBED N#Cc1cc(F)ccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 751819541 WLKSHCVSUNNXMS-UHFFFAOYSA-N 384.389 -0.586 30 20 GBED COC(=O)c1cn(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)nn1 757600986 UZPBSGQAHQTPMS-MNOVXSKESA-N 378.389 -0.060 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)NC(=O)NCC)cc1 811832023 UPNOCNFXYQAVLJ-LLVKDONJSA-N 381.410 -0.011 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC)CC1 823850507 PRVFOLYXQHTGBG-UHFFFAOYSA-N 391.457 -0.540 30 20 GBED N#C[C@@H]1CNC[C@@H]1NC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 834490050 QZNVVANJDQKONB-UHOFOFEASA-N 382.424 -0.236 30 20 GBED C#CCNS(=O)(=O)CCCCS(=O)(=O)Nc1cc(C)c(=O)n(C)c1 848968475 VAQFQDDQRLTLKT-UHFFFAOYSA-N 375.472 -0.232 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1CCN2C(=O)OC[C@@H]2C1 848969935 IGQFDVBIBSLDDG-LBPRGKRZSA-N 394.475 -0.982 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)NCCC)CC2)c1=O 874101639 GYSDNODYFOWZDL-UHFFFAOYSA-N 391.472 -0.261 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(CN(C)C)ccn2)CC1 880603228 LXCOHGQKGLWPSO-UHFFFAOYSA-N 380.474 -0.240 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CC3(CCNCC3)CO2)C1=O 885147966 HBSXNQKMNNLXSB-GJZGRUSLSA-N 378.473 -0.493 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CC3(CCNCC3)CO2)C1=O 885147968 HBSXNQKMNNLXSB-LSDHHAIUSA-N 378.473 -0.493 30 20 GBED N#CCCN(CCC#N)C(=O)COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 917370201 XEFLBFGCJXLVKI-UHFFFAOYSA-N 391.409 -0.317 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@@H]1C 990134352 AZCAEGIVIINXOI-KBXIAJHMSA-N 390.440 -0.756 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCN(C)C(=O)C1 1003657459 FAYZNSULHWSHEY-MTSZKFMLSA-N 390.484 -0.400 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCN(CC(=O)N3CCNC(=O)C3)C[C@H]21 1084353632 VYYOLZFEPYWCIV-VQHPVUNQSA-N 390.484 -0.541 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnn2c(=O)cc[nH]c12 1109809357 PPIYDPQXTFHCHK-UXOAXIEHSA-N 382.424 -0.504 30 20 GBED CN(C[C@H](O)CN(C)c1cncc(C#N)n1)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1125352801 KTUBQWHYJYXCQD-PWXKEOIMSA-N 375.429 -0.345 30 20 GBED C=CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCO[C@H]2CC)C1 1129114088 YFHWMWACOKJFLS-WCVJEAGWSA-N 376.461 -0.263 30 20 GBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 1194832921 VYCOVJOTUBQZBU-TVFCKZIOSA-N 386.452 -0.422 30 20 GBED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1(C#N)CCOCC1 1318542990 ZLMSNDLIYDABEG-UHFFFAOYSA-N 382.442 -0.151 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)C1 1326049902 XYFBGHTWNBMSJQ-ORAYPTAESA-N 384.392 -0.293 30 20 GBED C#CCOCCNC(=O)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 1328863715 DYISQWUMGGAREV-CQSZACIVSA-N 383.445 -0.105 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H](N)CCO3)C2)CCN1C1CC1 1329830037 AYQGNURKPUWGFE-IDCNUPLLSA-N 389.500 -0.070 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)CCN1C1CC1 1348616555 ILUWLPKCGFQTDC-FUHWJXTLSA-N 389.500 -0.244 30 20 GBED C#CCNC(=O)CNC[C@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573286358 ZNDMVGXLIBWSKP-OCCSQVGLSA-N 384.444 -0.178 30 20 GBED C#CCOCCC(=O)N1C[C@H]2C[C@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)C[C@H]1C2 1588360896 XNNWUIONNLRMCC-MELADBBJSA-N 382.428 -0.090 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588404306 HCVSHKKPJNTMRL-YGRLFVJLSA-N 388.432 -0.100 30 20 GBED N#C[C@@]1(NC(=O)Cn2cc(-c3nn[nH]n3)c(O)nc2=O)CCc2ccccc2C1 1592670676 KMOLQTBDVXQMFY-GOSISDBHSA-N 392.379 -0.304 30 20 GBED C#CCOCCC(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[nH]n3)n2)C1 1602728538 ZYOGQGOHOVHAAW-KRWDZBQOSA-N 386.416 -0.538 30 20 GBED C=C[C@@](C)(O)CC(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1602792437 GAODQNAUSMDMKA-MRXNPFEDSA-N 377.405 -0.927 30 20 GBED COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1619919558 ZNJAMXVJSGTNSX-QWHCGFSZSA-N 386.478 -0.004 30 20 GBED CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1747111962 NWCMAILCCPESTP-GJZGRUSLSA-N 387.437 -0.194 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779086955 GRWQYDFJVVUKKC-SUMDDJOVSA-N 397.472 -0.942 30 20 GBED N#CCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)cc1 1781045508 RGRHXMALSAWFHI-WFXMLNOXSA-N 398.463 -0.081 30 20 GBED Cn1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc1O 1782010948 LXGKEMBMNTTYKZ-FZKQIMNGSA-N 390.396 -0.659 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(F)nc1F 1792377017 VIRCETNYYQAQBV-KEODLESXSA-N 379.319 -0.349 30 20 GBED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CC(=O)NC2=O)C1 1793828328 CSNOJAOMUYKWGC-YWVIFJGQSA-N 376.413 -0.906 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)[nH]1 1798181294 XADHXWAYFIUSOB-DABQJJPHSA-N 390.444 -0.400 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2 1799306219 MITYPPHJULCCIL-XOIINTDNSA-N 391.428 -0.623 30 20 GBED C[C@@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1801002633 FDVTVPTUUKAFOP-FTUNRGFVSA-N 378.425 -0.395 30 20 GBED N#CCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1806287245 KGJUONZUHOCCCX-AUUYWEPGSA-N 381.392 -0.074 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1813039082 FDZANXDHDUSKIX-PCBIJLKTSA-N 393.513 -0.002 30 20 GBED CS(=O)(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1827215106 JGTSTVDQRWHWRC-SECBINFHSA-N 399.450 -0.422 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)C(C)(C)C)C2)C1 1831386663 BYKXBQWLXJCSNM-JXXFODFXSA-N 396.484 -0.112 30 20 GBED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1831477538 HKZFBFPOVLPMNI-YVEFUNNKSA-N 387.502 -0.324 30 20 GBED Cc1nc[nH]c1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1835193343 NIIYNVLNYNPJGH-UHFFFAOYSA-N 387.440 -0.009 30 20 GBED CN[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)C(=O)O 1835752450 QHRHPBOYJICQEI-SCLBCKFNSA-N 396.444 -0.945 30 20 GBED Cn1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cn1 1835984566 HHVUUPCONJRHQG-SFHVURJKSA-N 375.429 -0.277 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccn4)C3)C2)c1 1838736309 XDYUSFGGRUIPAU-LJQANCHMSA-N 398.423 -0.147 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840571121 YIFIURNANPRWQK-OXJNMPFZSA-N 395.500 -0.423 30 20 GBED COC(=O)[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 7958024 JCCUNHDQKAAWKM-HNNXBMFYSA-N 395.437 -0.391 30 20 GBED C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 10295969 IBWFAGJJNZCPKS-HNNXBMFYSA-N 399.451 -0.112 30 20 GBED COCCN(CC(=O)N(C)C)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 41576425 AAPKIKSYWKKVRU-UHFFFAOYSA-N 396.469 -0.258 30 20 GBED CN(C)C(=O)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2)c1=O 255420076 PFWMSZXRDPDUSR-UHFFFAOYSA-N 396.472 -0.220 30 20 GBED C/N=C(/NC[C@@H]1CCC[C@H]1O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261758886 CUKIXYVEALQYGE-DZGCQCFKSA-N 385.490 -0.142 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCN1CCCS1(=O)=O 266577547 SQTROXHAHDBNHJ-UHFFFAOYSA-N 383.401 -0.072 30 20 GBED Cc1cccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1C#N 273529883 RFTMJYZMKCJBEU-UHFFFAOYSA-N 399.451 -0.192 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cncnc1N(C)C 273727158 OYHNFGATEJOCHX-GFCCVEGCSA-N 395.427 -0.120 30 20 GBED CCN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 288703958 UTTMJOFWLDPHDN-KRWDZBQOSA-N 383.452 -0.061 30 20 GBED O=S(=O)(c1ccc(C/N=C(/O)N2C[C@@H](O)C[C@H]2CO)cc1)N1CCOCC1 330074834 LJEJWVFHCJSDMO-GJZGRUSLSA-N 399.469 -0.451 30 20 GBED CC[C@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 349471492 OLIAIYBEFCWQOC-NSHDSACASA-N 386.455 -0.612 30 20 GBED CNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 408115100 KPKHTHYMNUQOHY-UHFFFAOYSA-N 378.863 -0.018 30 20 GBED CC(C)N1CCC(N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)CC1 409478500 MWNNEICRCOFTPP-KRWDZBQOSA-N 385.534 -0.054 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C2)C1=O 434380812 XGGHPPQEXHRIFW-GFCCVEGCSA-N 385.380 -0.611 30 20 GBED COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 507472419 ZYAYJOAALKOJOW-CQSZACIVSA-N 395.485 -0.199 30 20 GBED C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 514581844 CSZCXTUBDPQPKN-CABCVRRESA-N 379.438 -0.120 30 20 GBED Cn1nc2c(cc1=O)CN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)CC2 562156261 FSCBCXBVVNDEPV-UHFFFAOYSA-N 387.421 -0.485 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 576510421 ISJCORQHUBKBJD-INIZCTEOSA-N 391.409 -0.963 30 20 GBED CCC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC(N)=O)cc1 577123995 CCFDKJFTNKWXEH-NSHDSACASA-N 388.471 -0.237 30 20 GBED Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NCC(=O)NCC#N)CCCC1 580465010 PWRRHASAAQESRN-UHFFFAOYSA-N 383.430 -0.361 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCN2C(=O)CCCC2=O)c1 589432544 DDIKOIUGWJHEHT-UHFFFAOYSA-N 378.410 -0.508 30 20 GBED COCCN(CCC#N)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 589773658 BNWNSLBZYKQDMZ-UHFFFAOYSA-N 387.440 -0.054 30 20 GBED COC(=O)c1cn(CCNS(=O)(=O)c2ccc(C#N)cc2C(=O)OC)nn1 593591921 DPHMAEGEOBRZOS-UHFFFAOYSA-N 393.381 -0.299 30 20 GBED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 595130206 UIQAIOHXOSNXPV-GXTWGEPZSA-N 381.410 -0.176 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCNC2=O)c1 595955992 OPAVXTVXDLYAKO-GWCFXTLKSA-N 386.455 -0.566 30 20 GBED Cc1nsc(N2CCN(C(=O)[C@H]3CCCN(S(N)(=O)=O)C3)CC2)c1C#N 597669876 ZPRKZGISBFQROY-LBPRGKRZSA-N 398.514 -0.113 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(CCO)C(C)(C)C3)CC2)o1 614923232 ACEJEIYSUXCYBW-UHFFFAOYSA-N 390.488 -0.108 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN([C@@H]3CCC[C@@H]3O)CC2)C1=O 673584933 LYKSWZWSEXCJBX-IKGGRYGDSA-N 392.500 -0.274 30 20 GBED C#CCN(CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCS(=O)(=O)C1 735374886 OQRMBZHPAXSORD-HNNXBMFYSA-N 388.453 -0.395 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 756890188 IIYVYYWRBOPTAN-OLZOCXBDSA-N 386.474 -0.408 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 761025561 VEGXRFFXTTUMBF-UHFFFAOYSA-N 375.454 -0.740 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCNS(C)(=O)=O 766341669 CQHKTMXBNYVIPM-JTQLQIEISA-N 375.428 -0.683 30 20 GBED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 785210726 JMHSHPIQKYWSPG-LLVKDONJSA-N 375.316 -0.571 30 20 GBED N#CC1(CS(=O)(=O)NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CC1 793201612 OJZBPODWWZABBO-CYBMUJFWSA-N 393.400 -0.005 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1)[C@H]1CCCO1 804081973 SHAHTFVBHYTMEY-JKSUJKDBSA-N 375.400 -0.102 30 20 GBED N#Cc1cc(-c2nn[nH]n2)c(N)nc1SCC(=O)N[C@H]1CCSC1=O 826383547 GHNJVFALIRAIGX-QMMMGPOBSA-N 376.427 -0.044 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C1CC(O)C1 848956430 UHCVEUQYJYIPEX-UHFFFAOYSA-N 397.478 -0.022 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@@H]1C 990134663 HRPIGNWAVIIVPW-KBXIAJHMSA-N 390.440 -0.377 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@]2(C)C1 993128909 CIIHPIHBDRGQDC-LDNFRZNASA-N 389.452 -0.063 30 20 GBED C#CCOc1ncccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C1 1024363056 VKXXSZFMNDQCOS-XZDPQHSOSA-N 389.408 -0.801 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCOCC2)C[C@H]1O 1025709623 RZIRCIKWWZZLLO-FPCVCCKLSA-N 381.473 -0.624 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnc2ccc(OC)nn12 1109460854 CJTSYAJFVMUKSD-RDBSUJKOSA-N 382.424 -0.178 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCC(N)=O 1110196905 APISCZXHGWXMNJ-CRWXNKLISA-N 379.461 -0.236 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnn(C)c1N 1110467911 OLWUZBLAPWIBMS-RTXFEEFZSA-N 375.433 -0.651 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nc2nccc(C)n2n1 1111347082 JEGVJMFTJUZQTM-YJNKXOJESA-N 381.440 -0.094 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 1121603170 AVXGITIOUBFGHL-GFCCVEGCSA-N 385.428 -0.661 30 20 GBED C[C@@H](CC(=O)NCCc1nncn1C)/N=C1/NS(=O)(=O)c2ccccc21 1318860421 WJOFXRFSPQLUKS-NSHDSACASA-N 376.442 -0.009 30 20 GBED CC(=O)N1CCC(NC(=O)CN2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 1319583292 WUERAEMTEMJFMK-AWEZNQCLSA-N 385.472 -0.014 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCCC(=O)N(C)C 1321917705 OUAGNEABKKLEPX-ZDUSSCGKSA-N 387.444 -0.630 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1)[C@H]1CCCO1 1323589350 ZUPSCMLPRBAUHV-HRCADAONSA-N 376.457 -0.112 30 20 GBED CC(=O)NCC(=O)N1CCc2cc(C(=O)NCCn3cnc(C#N)n3)ccc21 1324327139 VNVYGWKZXOSOQL-UHFFFAOYSA-N 381.396 -0.395 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1326803000 BHJSQMFKRNRQEU-HNNXBMFYSA-N 385.486 -0.395 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)O)c1 1588847570 FNDUEGXDIMOOFX-CYBMUJFWSA-N 381.410 -0.482 30 20 GBED CCN(C1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1)S(C)(=O)=O 1590680164 YLKJEHPUOUOIMX-UHFFFAOYSA-N 377.434 -0.221 30 20 GBED CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](O)[C@H](NC(=O)CSCC#N)C2)n1 1590908179 BCBJEXVUBWEYAF-GHMZBOCLSA-N 389.445 -0.858 30 20 GBED N#C[C@]12CN(C(=O)N[C@H]3CCCCN(CC(=O)O)C3=O)C[C@H]1CS(=O)(=O)C2 1594611956 OTEVEQYGOAAGDU-MQIPJXDCSA-N 398.441 -0.968 30 20 GBED Cc1cccc(S(=O)(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)O)c1C#N 1600550422 GNAAOJHYYPGOSD-JQWIXIFHSA-N 392.393 -0.365 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCCc2ccc(-c3nn[nH]n3)cc2)CCN1C1CC1 1606345857 QVAXNOGRZSUMII-INIZCTEOSA-N 394.439 -0.276 30 20 GBED N#CCSCC(=O)N1CCCO[C@@H](CNc2cncc(-c3nn[nH]n3)n2)C1 1606350718 AUJQRVGGQJAZLF-NSHDSACASA-N 389.445 -0.057 30 20 GBED N#Cc1cn(CC(=O)N2CCN(Cc3cn4ccccc4n3)CC2)c(=O)nc1O 1624593700 ZKNWPVGVXGACGD-UHFFFAOYSA-N 393.407 -0.187 30 20 GBED Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)on1 1693543464 RIJUWYLEHKVDHN-DGCLKSJQSA-N 395.445 -0.038 30 20 GBED O=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)=NN1 1779136351 PHLGEJHPDYMCGV-KDCXGNEQSA-N 387.396 -0.596 30 20 GBED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)n1cccc1C=O 1783562689 OBHSDLRJMOTERE-KUHUBIRLSA-N 387.392 -0.221 30 20 GBED O=C(O)C#CC(=O)NC1(c2ccc(NC(=O)CN3CC(=O)NC3=O)cc2)CCC1 1786686625 KUYDWQUWXTXENV-UHFFFAOYSA-N 398.375 -0.240 30 20 GBED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 1789091060 CJKUWCWKPBBINL-AVGNSLFASA-N 386.412 -0.527 30 20 GBED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1797646201 CYGYUSOWNSRRQC-ORDFZIBCSA-N 392.500 -0.063 30 20 GBED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@](C)(O)CC(=O)O 1801008172 QLPUTGHBZIMEJF-FTUNRGFVSA-N 380.441 -0.005 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1c[nH]c(=O)cn1)CC2 1825669957 WZOZVTZLFFIECP-MRVPVSSYSA-N 387.377 -0.460 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1830592540 RNYGWRBZEZCLMN-KUHUBIRLSA-N 378.425 -0.540 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1831438966 YTPQNABDOOLGQM-KDOFPFPSSA-N 399.444 -0.610 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836165872 FVRUMPWOYIFFHL-APWZRJJASA-N 390.440 -0.622 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836350774 PDRTYOBCXJBPIV-CXAGYDPISA-N 394.432 -0.324 30 20 GBED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1)C(F)(F)F 1839195523 XIGMRDKNBYODFN-HNNXBMFYSA-N 396.362 -0.430 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840271878 SPNSEPYTFSIJKE-DOXZYTNZSA-N 394.424 -0.918 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)CN2CCOCC2)C1 1842824637 UILXBRWPGHVTIB-UHFFFAOYSA-N 377.489 -0.196 30 20 GBED Cc1c(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)cn2[nH]cnc(=O)c12 1844657188 ZZVWIEBKVACOCE-UHFFFAOYSA-N 383.364 -0.764 30 20 GBED O=C1NC(=O)[C@@H](CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#Cc2ccccc2)N1 1848127647 LRYVUSXELXLKAF-PMPSAXMXSA-N 380.404 -0.162 30 20 GBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)NC)n(C)c1 56139920 JQOGLOOCIHQSAZ-LLVKDONJSA-N 375.472 -0.252 30 20 GBED C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 266039377 VIRKRSVMUZEBDB-UHFFFAOYSA-N 379.442 -0.535 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@H](C)CC(=O)OC)CC2)C1=O 266912700 JKFDBOUUNQMARX-GFCCVEGCSA-N 380.401 -0.941 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCOCCS(C)(=O)=O 268085668 JUHDVVRPTLJUEM-CYBMUJFWSA-N 396.473 -0.370 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C1CC1)[C@H]1CC(=O)NC1=O 268829274 VWBGSGIHRFPPEE-HZMBPMFUSA-N 390.421 -0.369 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCN1C(=O)CCC1=O 269056279 WUTOPIVZXOSLMK-LBPRGKRZSA-N 392.437 -0.120 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCCN2CCNC(=O)C2)cc1 269917193 LNIXUEZGWXGVNK-UHFFFAOYSA-N 378.454 -0.850 30 20 GBED C#CCNc1nc(N(C)CC(=O)NC2CC2)nc(N(C)CC(=O)NC2CC2)n1 286303180 YMASPOCWHGTYGZ-UHFFFAOYSA-N 386.460 -0.654 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N(CCO)CC(F)F)C2=O)cc1 288593585 MBRRVLUFBCWZIL-AWEZNQCLSA-N 394.378 -0.139 30 20 GBED C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 288993675 YOWCDQQEJXWHOG-ZBFHGGJFSA-N 387.440 -0.088 30 20 GBED O=C1C[C@@H](N/C(O)=N/CCS(=O)(=O)N2CCSCC2)CN1C1CC1 330262712 VLMNYIMYYSMMPB-LLVKDONJSA-N 376.504 -0.368 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc(C#N)ccn2)C[C@@H]1O 349528050 SQRQCOOSNXQGCZ-AAEUAGOBSA-N 388.471 -0.273 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCn2ncnc2C1 349597314 DJFMXZMGDDVBRD-LBPRGKRZSA-N 390.491 -0.623 30 20 GBED Cn1c(=O)c(C(=O)CN2CCO[C@@H](C#N)C2)c(N)n(Cc2ccccc2)c1=O 436120912 BIPUHWUBJFHOKT-AWEZNQCLSA-N 383.408 -0.415 30 20 GBED Cc1ccc(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1S(=O)(=O)NCC#N 470812637 RZJZPUBPBFHWKY-CHWSQXEVSA-N 380.426 -0.440 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)NCCCN3C(=O)CNC3=O)CC2)c1C#N 472112173 FDWLOENRUBKUFF-UHFFFAOYSA-N 388.432 -0.626 30 20 GBED COC(=O)[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCO1 481439078 RQBOSMAALMYVQX-BXUZGUMPSA-N 381.410 -0.375 30 20 GBED CN(CC(=O)NC[C@H](CO)[C@H]1CCOC1)S(=O)(=O)c1ccc(C#N)cc1 482668809 KGIDBRFNCVRDDN-LSDHHAIUSA-N 381.454 -0.060 30 20 GBED C=CCCC[C@H](C)NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 488152069 ZOEOVCLPXOXHKM-ZDUSSCGKSA-N 392.460 -0.664 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCS(=O)(=O)C2)cc1 558574373 OVVZFKAAPXSZOD-ZDUSSCGKSA-N 385.467 -0.222 30 20 GBED N#CC1(NS(=O)(=O)c2ccccc2S(=O)(=O)NC[C@@H](O)C(F)F)CC1 566488388 YPOLMKJURYOSCX-SECBINFHSA-N 395.409 -0.075 30 20 GBED COC(=O)CC[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 583754992 ZMRGGVXIEPFIQR-ZDUSSCGKSA-N 397.409 -0.552 30 20 GBED COc1cncnc1NS(=O)(=O)CCCS(=O)(=O)N1CC(CC#N)C1 595965140 MYNXUKMFMXAHDT-UHFFFAOYSA-N 389.459 -0.208 30 20 GBED COC(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC#N)c(OCC(F)F)c1 599979328 RIHDJCBCYDXPMB-UHFFFAOYSA-N 398.322 -0.188 30 20 GBED COc1cc(C#N)ccc1NC(=O)C(=O)N(CCO)CCN1CCOCC1 615108174 OVDKNQIYELUISA-UHFFFAOYSA-N 376.413 -0.342 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCNC(=O)[C@@H]2CC(C)C)c1=O 783541937 VJBLJOGLEPSQPM-AWEZNQCLSA-N 377.445 -0.652 30 20 GBED CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 806780454 ALEQQCMCCNLJHS-XROPSADXSA-N 399.473 -0.374 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](CCNC(C)=O)C2)c1=O 808219352 YWQXHGTYNOXRHK-MRXNPFEDSA-N 391.472 -0.261 30 20 GBED C=C(Br)CNC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 809011511 BGQBMAQJMSGKSS-UHFFFAOYSA-N 395.235 -0.765 30 20 GBED C#CCN1CCN(C(=O)CN2C(=O)[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2=O)CC1 842080753 RRKUNGQRWRQJLS-KDURUIRLSA-N 394.475 -0.119 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1)C1CCOCC1 852901110 AUHXIDMGDHCQQN-LBPRGKRZSA-N 391.475 -0.716 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCOC(=O)N3)CC2)cc1 858181225 IVEZBZDZAOZOSK-AWEZNQCLSA-N 378.410 -0.110 30 20 GBED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](O)[C@@H](O)C1 862581497 QOXMLZSFYCBNBL-IHRRRGAJSA-N 381.454 -0.296 30 20 GBED CCN(CCC#N)C(=O)COC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 920608497 SVAYJEJGPABSTM-UHFFFAOYSA-N 375.385 -0.505 30 20 GBED C#CCN1CCC[C@H](NC(=O)C[C@@H](O)CC(=O)N[C@@H]2CCCN(CC#C)C2)C1 923561313 XRIYWYDHQPPDGF-BWTSREIZSA-N 388.512 -0.445 30 20 GBED C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@@H]1O 967207192 CTFQUCOMMWWXEQ-TXCZRRACSA-N 376.457 -0.305 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccn(CCOC)n2)C1 969258255 SVVODIVLMOIYOX-ORQFMDKSSA-N 392.456 -0.188 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)CSC)[C@@H]2CS(=O)(=O)C[C@@H]21 995432769 WCNBNSFLIKGXAI-MQYQWHSLSA-N 388.511 -0.223 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2C(=O)CNC2=O)cn1 1004747232 IHUAIEKWBWPUQK-KFWWJZLASA-N 381.392 -0.524 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1O 1023958382 LOAZKOWWMRHDHB-WNOSKKOXSA-N 375.425 -0.332 30 20 GBED CN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncccc2C#N)C1=O 1055102536 VWEQJLQWKYDHAO-AGIUHOORSA-N 382.380 -0.400 30 20 GBED C=CCCn1cc(C(=O)N(CCO)CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nn1 1057711416 OSKNTSMVQDLFLX-FMKPAKJESA-N 377.445 -0.028 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1109448410 QCHIWADEAPJUML-GJKBLCTNSA-N 390.362 -0.306 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@]1(C)CCNC1=O 1109714739 UVILNRLIGMGDLD-OXRQTFEDSA-N 377.445 -0.754 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 1117472186 YOULIQHTULPAKD-GJZGRUSLSA-N 397.497 -0.554 30 20 GBED C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ncnn1C 1117608845 GPDPUDHOYFPUNF-IUODEOHRSA-N 395.423 -0.219 30 20 GBED C=C(C)Cn1c(Cn2cc(CCO)nn2)nnc1N1CCN2CCOC[C@H]2C1 1122394826 IFSUUJCDCZABHL-MRXNPFEDSA-N 388.476 -0.450 30 20 GBED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(CC(N)=O)C(=O)C1 1161384946 RYMZWKVQNNSMSQ-UHFFFAOYSA-N 383.412 -0.693 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H]3COC(=O)N[C@@H]3C2)cc1 1164674040 UKULQFIVXVSTIP-GXTWGEPZSA-N 378.410 -0.207 30 20 GBED C=CCOCCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1220047511 BSTOCDGAMGMVCQ-BDXSIMOUSA-N 383.489 -0.770 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCCNS(=O)(=O)CC)C[C@@H]1O 1220523850 HBWGRCLZZHIKTQ-FZKCQIBNSA-N 389.518 -0.542 30 20 GBED C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@@H](C)CC(=O)N1 1226310485 KWIBNJDCVQLBCI-KBUPBQIOSA-N 393.488 -0.070 30 20 GBED COCCOC[C@H](C)NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1346718260 ZDXLOXACNNDFRG-KBPBESRZSA-N 390.444 -0.447 30 20 GBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@H]1C 1573285673 KXTMJAFMSZAWLX-TZMCWYRMSA-N 384.444 -0.368 30 20 GBED C#CCNC(=O)CNCC[C@@H](C)NC(=O)C1CCN(Cc2cnn[nH]2)CC1 1575004629 HELFMBMZBRDZQJ-CQSZACIVSA-N 375.477 -0.750 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@H](CS(N)(=O)=O)C1 1581855524 DVGKCXDGBRDSMF-GXTWGEPZSA-N 389.441 -0.314 30 20 GBED N#CCSCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 1581858474 HURWYFOLPAXAKL-ZYHUDNBSSA-N 390.429 -0.857 30 20 GBED N#Cc1nccnc1N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1581885728 KDJANEJKKYGBBY-NSHDSACASA-N 380.372 -0.508 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 1588349924 RXWYCPNZSTXTFF-UHFFFAOYSA-N 392.423 -0.605 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588500122 QZWSREOWMSJHGW-DIFFPNOSSA-N 391.432 -0.587 30 20 GBED C=CCOC[C@H](NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1)C(=O)O 1588856429 IQDBAGLQYMNVMU-NSHDSACASA-N 390.389 -0.204 30 20 GBED CC(C)(C)C#CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 1589068915 ZJVXQHHSDYGNNG-BXUZGUMPSA-N 385.428 -0.064 30 20 GBED CC(=O)N[C@@H](CSCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(=O)O 1589157082 HNHWBSGFIHPPCK-ZDUSSCGKSA-N 395.441 -0.174 30 20 GBED C[C@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@H]1CCCN(CC(=O)NCC#N)C1 1589941436 STVGSNWRAQUIFD-RYUDHWBXSA-N 385.432 -0.335 30 20 GBED N#Cc1ncn(CCNC(=O)N2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)n1 1592710350 WADXQTQVJYSYLJ-UHFFFAOYSA-N 394.403 -0.743 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1OC 1602869593 DDCBZWBDMIMAOI-UHFFFAOYSA-N 394.413 -0.469 30 20 GBED C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1645761636 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CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1831487822 SCUHGRIOBDPCPH-ZBFHGGJFSA-N 398.489 -0.916 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834391340 VPQZZXICGQIGQJ-KXBFYZLASA-N 390.440 -0.472 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)F)CCO2 1834908277 VVKQGSJESNCLHF-LIMHQNJXSA-N 387.383 -0.434 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836132170 MTRZIQCZVKDYQT-WBVHZDCISA-N 397.501 -0.311 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)CC(=O)N3)CCO2 1836790934 IOGNVKOGZQHFLX-FQEVSTJZSA-N 383.404 -0.116 30 20 GBED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)n1ccnn1 1839705453 HPENPIQZLUCUPT-KXBFYZLASA-N 387.440 -0.291 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1839809879 PSSVRMCDZVRLIS-IBGZPJMESA-N 383.408 -0.639 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1840158350 JPOHYXHOTDNNGZ-UGSOOPFHSA-N 395.481 -0.226 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1840166378 FWIWCKOYCHCBDR-KBXCAEBGSA-N 379.413 -0.645 30 20 GBED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841237254 HNTCDMLJHZQWRK-GFCCVEGCSA-N 381.429 -0.583 30 20 GBED CN[C@@H](CC(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2)C(=O)O 1842951123 AKBZZHDFXBSFTE-IEEVUCOHSA-N 376.413 -0.035 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H]2CO)CC1 63512480 YRQKGPWMKAZHQQ-MRXNPFEDSA-N 392.481 -0.152 30 20 GBED N#C[C@@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CCN1Cc1ccccc1 114308956 ZSCSOMPNWUDBSW-QGZVFWFLSA-N 376.482 -0.047 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCCN2CCN(C)CC2)cc1 248010314 DMGLDJJUAQTXIJ-UHFFFAOYSA-N 378.498 -0.035 30 20 GBED N#Cc1ccc(CNC(=O)CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 265388655 SXWRVBDGHKHPCS-DLBZAZTESA-N 392.481 -0.738 30 20 GBED CS(=O)(=O)C1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 279184100 BVBZTLDSKBBKHI-UHFFFAOYSA-N 397.478 -0.032 30 20 GBED CC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CCO1 297999923 IUYYYJPESWIJBL-KRWDZBQOSA-N 399.451 -0.430 30 20 GBED CCCC/N=C(/O)NC(=O)CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 330740419 AQUVGYGXQPCJKG-AWEZNQCLSA-N 390.506 -0.057 30 20 GBED C=CCOC[C@@H]1NC(=O)N(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 348379755 GBQJULFFYHKZBW-ZDUSSCGKSA-N 398.397 -0.004 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)n1 349469800 BPGBUVJBJWDHPF-UHFFFAOYSA-N 386.459 -0.401 30 20 GBED CC[C@H]1CN(C)CCCN1S(=O)(=O)CCCS(=O)(=O)N(C)CC#N 349476951 HVUOLKIUYQRBQI-AWEZNQCLSA-N 380.536 -0.092 30 20 GBED C=CCn1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)nn1 424909210 SFLOPMRUKFOLAT-LLVKDONJSA-N 381.462 -0.202 30 20 GBED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)CC1 431703850 ITZWRLONCKCZKJ-UHFFFAOYSA-N 387.440 -0.288 30 20 GBED COC(=O)CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 444049981 GVDFNZYKMGUYQO-UHFFFAOYSA-N 387.439 -0.185 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](C)CN1CCCC1=O 445769547 RNGBOXGQPBRBRD-CYBMUJFWSA-N 395.423 0.513 30 20 GBED N#Cc1ccc(NCC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 508399990 QLUXHDKPCIKXEK-CVEARBPZSA-N 378.454 -0.728 30 20 GBED C[C@H]1CN(Cc2ccccc2NC(=O)C(=O)NCC(=O)NCC#N)C[C@@H](C)O1 508965385 FMKAJWWOFMNEFL-OKILXGFUSA-N 387.440 -0.010 30 20 GBED COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 514949547 HGFPIRBZHXTPTN-VHSXEESVSA-N 375.428 -0.283 30 20 GBED C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)NC3(C#N)CCC3)CC2)C[C@H](C)O1 527128227 XWOTYSKBHNBINQ-GJZGRUSLSA-N 399.517 -0.480 30 20 GBED C[C@@H](C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1)n1cnc(C#N)n1 538593413 QYUHKEJTHZZQSI-LBPRGKRZSA-N 375.414 -0.361 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(=O)n(C)c1 543805298 LIUVVGKDGLHJPI-GFCCVEGCSA-N 381.396 -0.277 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](CC(N)=O)C2CCOCC2)cc1 576162688 OVTWPNVQGZAQNF-HNNXBMFYSA-N 394.453 -0.377 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)Cc1ccc(C#N)cc1 577416159 LQUFAGBNFMMIDQ-HNNXBMFYSA-N 395.437 -0.232 30 20 GBED CC(C)N(C[C@@H](O)CO)C(=O)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 584118235 OAEFLDPGVIMSGM-TZMCWYRMSA-N 397.453 -0.099 30 20 GBED COC[C@](C)(C#N)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 594315156 UULNGNFAOKNDJH-INWMFGNUSA-N 385.417 -0.006 30 20 GBED C#CCN1CCN(C(=O)CN2CCc3ccc(S(=O)(=O)NC)cc32)CC1 748823580 BMYUGNFNIIFTSG-UHFFFAOYSA-N 376.482 -0.265 30 20 GBED Cc1cc([N+](=O)[O-])ccc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 758129914 SEUOKTNEUZVYRT-UHFFFAOYSA-N 381.370 -0.387 30 20 GBED C#C[C@H](NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)[C@@H]1CCCO1 776234322 LAPRCGLLFFUKPA-KBPBESRZSA-N 376.413 -0.830 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1)[C@@H]1CCCO1 786129220 KXGXQHZLMBFGJP-SJORKVTESA-N 385.468 -0.253 30 20 GBED CCNS(=O)(=O)CCNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 788100610 AABPOMHHZRFXRS-UHFFFAOYSA-N 383.478 -0.629 30 20 GBED NC(=O)[C@@H](O)CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 788210389 VOHMXBYSMDADFO-LBPRGKRZSA-N 382.442 -0.752 30 20 GBED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NC(=O)NC1CC1 791188603 YHXPAZVWTNOLRE-SNVBAGLBSA-N 394.409 -0.244 30 20 GBED CCOc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CNC[C@H]2C#N)cc1OCC 834500114 QHAQNXVDPUDRPE-TZMCWYRMSA-N 396.469 -0.010 30 20 GBED C#CC[C@@H](CCOC)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 863790518 KGJHEZCYPKWMFX-HNNXBMFYSA-N 393.465 -0.035 30 20 GBED C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2c(N)nc(C#N)c2C#N)C1=O 914684620 GTTVTGIOCRMEQT-KRWDZBQOSA-N 378.352 -0.293 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)nn1 973284641 FTDNFNBCJOUUQF-SMSYFYOWSA-N 375.429 -0.107 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCOCC2=O)c1 1005975074 OQTPCGKXEVQSGK-ZACQAIPSSA-N 382.420 -0.217 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 1023528401 MFFIBVHKSBWOIW-HZMVEIRTSA-N 379.457 -0.476 30 20 GBED C=CCOc1cccnc1C(=O)N[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1O 1025741168 USXALWDXBKWCAZ-CFAJVAMVSA-N 391.424 -0.248 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCc2nc(CC(=O)NC)no2)[C@H](C)C1 1082752670 WFQILOSZBIJQAS-SYQHCUMBSA-N 377.445 -0.114 30 20 GBED C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC(=O)NC(C)(C)C 1109069848 SAIPRJGGBNQASQ-ILXRZTDVSA-N 380.489 -0.059 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)C1CCOCC1 1111164110 JMOPTVXRFYOZKB-OAGGEKHMSA-N 378.473 -0.447 30 20 GBED CCS(=O)(=O)CCN(C)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 1117676104 RNPHNMPVYWVIKB-UHFFFAOYSA-N 390.425 -0.029 30 20 GBED CNC(=O)[C@@H](O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1117720960 IAMJNVCYEBTRNF-HNNXBMFYSA-N 394.453 -0.818 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccncc2)C1 1193075239 AXYBQGQNFGXLCP-ZJIFWQFVSA-N 387.440 -0.642 30 20 GBED CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(C#N)c(F)c2)CC1 1261411657 HFKDDIHEPIEPNQ-UHFFFAOYSA-N 389.431 -0.018 30 20 GBED CN1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 1324039622 QWXUJBDZVPUVNF-CABCVRRESA-N 383.408 -0.483 30 20 GBED CCN(C(=O)C(=O)N1CCN(c2snc(C)c2C#N)CC1)[C@H]1CCNC1=O 1325958307 AOLKIONXHSIDOY-ZDUSSCGKSA-N 390.469 -0.291 30 20 GBED C#Cc1cccc(Cn2nnnc2N2CCCN(C(=O)CNC(C)=O)CC2)c1 1355781611 VHCCDIZBLBGMHJ-UHFFFAOYSA-N 381.440 -0.123 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573309800 ORFWBZYSOWBDPU-SJKOYZFVSA-N 391.432 -0.587 30 20 GBED C#CCN(CC#C)C(=O)C(=O)Nc1nn(-c2ccc(-c3nn[nH]n3)cn2)cc1C 1588349668 JNRAHOOXQCSQCS-UHFFFAOYSA-N 389.379 -0.211 30 20 GBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC[C@@H]21 1588354044 DWJZFRVSCOWBBB-DOMZBBRYSA-N 382.428 -0.519 30 20 GBED C=CCn1cc(C(=O)N2CCN(c3c(-c4nn[nH]n4)c(C)nn3C)CC2)nn1 1588710831 DYMLFCGSQFCFSP-UHFFFAOYSA-N 383.420 -0.351 30 20 GBED C[C@@]1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCN(CC(=O)NCC#N)C1 1590131408 KPJLGAYTGAHROM-KRWDZBQOSA-N 385.432 -0.334 30 20 GBED N#C[C@]12CN(S(=O)(=O)[C@H]3CCCC[C@@H]3C(=O)O)C[C@H]1CS(=O)(=O)C2 1601079431 CLMHDBABUCKEPI-ZJQBRPOHSA-N 376.456 -0.170 30 20 GBED C#CCN1CCN([C@@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C(=O)C1 1602722522 WCLBDEVXUYVVHW-CQSZACIVSA-N 382.428 -0.423 30 20 GBED C=CCn1cc(C(=O)NCC2(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)nn1 1602882788 TXAWCMDCMJPORN-UHFFFAOYSA-N 382.388 -0.335 30 20 GBED CC#CC[C@@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1602889915 OZGNOFRSPYKTJM-AAEUAGOBSA-N 392.441 -0.576 30 20 GBED C[C@H](CC(=O)N1CCC[C@H](O)[C@H]1C(=O)O)/N=C1/NS(=O)(=O)c2ccccc21 1604064715 JLNAZJDTQNGXQH-GMXABZIVSA-N 395.437 -0.060 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1CCC[C@@H](C(=O)O)C1=O 1604815380 RGNSVPXKSMCJDZ-QWHCGFSZSA-N 386.412 -0.291 30 20 GBED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H](O)[C@H](CO)C2)CC1 1646102258 WNVKTNGAVMNKTO-CGTJXYLNSA-N 376.432 -0.180 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c1 1780249018 GBQCDIAGCIIBIO-SFHVURJKSA-N 382.380 -0.273 30 20 GBED C[C@@H](NC=O)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1781245785 VERZQKAMPBQVTK-KDOFPFPSSA-N 379.461 -0.767 30 20 GBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCNC3=O)C2 1781694367 SHUCQISECQDBAL-DNVCBOLYSA-N 385.424 -0.613 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1783557830 RCZNHNSRSMTJEU-LJQANCHMSA-N 391.424 -0.693 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784591185 AGSLDXCLTSOQCV-VBQJREDUSA-N 378.433 -0.345 30 20 GBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCN(C(C)=O)CC1)CCO2 1785426011 DQIQWRAFGXXWLL-FQEVSTJZSA-N 390.484 -0.606 30 20 GBED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1786369197 WMHMJMOSZTWKHN-DCAQKATOSA-N 376.335 -0.442 30 20 GBED CN(C)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1786477327 DEMZCHQCNVZCLN-JYJNAYRXSA-N 379.505 -0.190 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cscn3)[C@H]2C1 1787041107 DWHIVZJDQWTKQJ-UBHSHLNASA-N 377.422 -0.247 30 20 GBED Cc1cc(C(=O)NCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)no1 1788669511 MZUVRBJWFUSQRL-YDHLFZDLSA-N 389.412 -0.394 30 20 GBED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1789958796 YSHXADGSEZIZMI-NQCBRMCBSA-N 396.488 -0.510 30 20 GBED CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1790569077 NQNXXPKWWVLAGA-IHRRRGAJSA-N 395.529 0.000 30 20 GBED CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)S)C[C@@H]21 1790572290 RCDNXTHFHKFBAM-CYDGBPFRSA-N 388.559 -0.232 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/c3cnccn3)C[C@@H]21 1791079580 SXLDSJUHVFUPGT-AYSVTEITSA-N 384.392 -0.443 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CS(=O)(=O)CC)C2 1792562076 MYAGHECHBRDQSA-MQRSDUHLSA-N 397.497 -0.082 30 20 GBED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1793263344 YFDFUUYWRMAQBH-JJLQDPRZSA-N 387.358 -0.332 30 20 GBED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CNC1=O)C2 1793562974 YKQJRAAXQIRVNA-FQUUOJAGSA-N 376.413 -0.785 30 20 GBED Cc1cc(NC(=O)CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)no1 1796415736 LRTKEXMWJPWRJE-DPIQGUFMSA-N 375.385 -0.185 30 20 GBED C#CC(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1812525631 BYQVLHYYTZSOQK-RDTXWAMCSA-N 392.419 -0.026 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCNC(=O)C1)CC2 1825674767 OSOJLFNIYVORNF-VHSXEESVSA-N 390.421 -0.331 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCCO1)CCO2 1829926923 VLFXLRMHCUHDTE-RDTXWAMCSA-N 380.397 -0.900 30 20 GBED O=C1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CN1 1829946525 PFQGBLSSZQXCRK-OXJNMPFZSA-N 389.452 -0.618 30 20 GBED CC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834604257 KGANCUAVQWNHDV-UHFFFAOYSA-N 375.473 -0.002 30 20 GBED N#CCCC(=O)NC1CCN(C2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1834607265 WBVGJQOIWIPOJR-IRXDYDNUSA-N 377.489 -0.415 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836206525 QOHPGNPVNHYCSA-CRAIPNDOSA-N 393.444 -0.674 30 20 GBED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)Cn4cnnn4)CC3)CC2)CC1 1837790948 SMJJBQRFEFUWFF-UHFFFAOYSA-N 387.444 -0.025 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1840841166 GRKFZDCCJIRQJT-LJQANCHMSA-N 389.408 -0.431 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1840844120 DVNYGIOIKQNNRB-CRAIPNDOSA-N 375.429 -0.291 30 20 GBED CN(CC(=O)N1CC2(CCCN2C(=O)Cc2ccc(C#N)cc2)C1)C(=O)C(=O)O 1841101132 SSKDBHVFEATQGM-UHFFFAOYSA-N 398.419 -0.153 30 20 GBED C[C@@](C#N)(NC(=O)CN1CCN(S(=O)(=O)Cc2ccon2)CC1)C1CC1 266575454 FZRLIMCETYDOGJ-INIZCTEOSA-N 381.458 -0.070 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CN2CCN1CC2 269473468 DBQWZJLLGDAZGZ-DZGCQCFKSA-N 377.470 -0.659 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C[C@@H](C)O)CC1 275401980 FEFYMQIGBLSFNV-KGLIPLIRSA-N 380.470 -0.250 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C1=O 286909122 GNCLTGYGQDOUPR-QWRGUYRKSA-N 390.362 -0.489 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@@H]3CC(C(N)=O)=NO3)C2=O)cc1 297290827 LQUXTJMGLJVAJZ-UONOGXRCSA-N 384.396 -0.017 30 20 GBED CN1C(=O)[C@]2(CCN(/C(O)=N/[C@H]3CCCN(c4ccn(C)n4)C3=O)C2)N=C1O 329572324 UYXCAUWOTZYXLT-APPDUMDISA-N 389.416 -0.340 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CC(=O)NCC1(C)C 349616519 LYHAKZYOVFROJN-LBPRGKRZSA-N 394.519 -0.520 30 20 GBED COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN2C(=O)C(=O)NC[C@@H]2C1 370619983 IWNDYPOMTWEGKB-LSDHHAIUSA-N 399.451 -0.027 30 20 GBED C=CCOC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C)C(=O)OC 435141407 OJDVNXXSAMZRKT-CMPLNLGQSA-N 389.430 -0.181 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1=O 440264717 JCFDVQPTHHSFRP-CYBMUJFWSA-N 394.453 -0.174 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCN1C(=O)CNC1=O 464946745 ZJLUWVPTXNBRNF-GFCCVEGCSA-N 386.416 -0.490 30 20 GBED C=CCNC(=O)CNC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 540757224 IVMCRJGQYARKRO-CYBMUJFWSA-N 386.408 -0.005 30 20 GBED COCCN1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1=O 548930593 OHYJMHPJYSOZBA-UHFFFAOYSA-N 376.417 -0.749 30 20 GBED C=CCN(C(=O)C(=O)Nc1ncn(C)n1)[C@H](C)c1cccc(-n2cnnn2)c1 555919587 CUNXUVRIHNQYKZ-GFCCVEGCSA-N 381.400 0.505 30 20 GBED C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 571212963 CJCOKDPEIIXYEB-RYUDHWBXSA-N 385.467 -0.129 30 20 GBED COCCN(C(=O)Cn1cc2c(c(C#N)c1=O)CCC2)[C@@H]1CCS(=O)(=O)C1 581231142 RRFCGBJZALWHQS-CQSZACIVSA-N 393.465 -0.129 30 20 GBED COc1cncc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n1 581314777 DZEIYIKIHJYVDV-NSHDSACASA-N 382.384 -0.177 30 20 GBED C[C@H](N)[C@H]1CN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCO1 591570929 XKIMWSCLOMDVGR-MAUKXSAKSA-N 385.468 -0.223 30 20 GBED COC(=O)[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 594539079 KUKFMPNUWAXOSN-JTQLQIEISA-N 375.428 -0.330 30 20 GBED C=CC[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)NCCOC)CC2)C1 658812077 VBCLGWXSRWBTQB-INIZCTEOSA-N 380.489 -0.292 30 20 GBED N#C[C@H]1COCCN1CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O 737684250 OFSYZSJXWFTKQB-AWEZNQCLSA-N 382.384 -0.187 30 20 GBED N#Cc1cccc(OCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 750657635 UYFGGDNNDQNZOD-HZPDHXFCSA-N 379.438 -0.449 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccncc2)c1=O 758076148 MWRJWLLNNNLMBY-UHFFFAOYSA-N 382.445 -0.406 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCCO1 775109945 VSCMZBLBTQHKAH-ZIAGYGMSSA-N 390.440 -0.346 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 783013553 KGJORBWYRNPUHE-UHFFFAOYSA-N 396.535 -0.499 30 20 GBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 799288284 YDYSPLQLWQOLLP-CYBMUJFWSA-N 397.453 -0.226 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)n1ncc(-c2nn[nH]n2)c1N 820444841 MGHNUODMDSQMHR-MRVPVSSYSA-N 387.385 -0.476 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)c1ccccc1 832668818 XANSBPDQCDXMDG-KRWDZBQOSA-N 396.451 -0.010 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c1=O 836010375 LKEXMKXSPTWNNS-AWEZNQCLSA-N 396.469 -0.847 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 846085861 REVFVFMGOZGILM-LBPRGKRZSA-N 383.401 -0.074 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2sccc2OC)CC1 872514895 COSLKIKCDQFGGF-UHFFFAOYSA-N 379.485 -0.469 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2c(C)nn(CC)c2C)CC1 892706175 YUUTZFIPLKQBRE-UHFFFAOYSA-N 382.490 -0.185 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2CCOCC2=O)cn1 1003511150 NJXRLYLDYGXMRK-ZACQAIPSSA-N 382.420 -0.217 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCNC(=O)C1 1004923654 PCLMWOMKWKYLMF-MTSZKFMLSA-N 390.484 -0.353 30 20 GBED C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]2n2ccnn2)CCN1C 1051472524 NVVDUHRYQCHDAT-MIGQKNRLSA-N 381.444 -0.174 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)C1CC1 1108979902 MXNPMPCMZHZYJA-PMPSAXMXSA-N 375.473 -0.004 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CC(C)(C)C1=O 1110568391 SYKQEMRNGCGMEP-MCIONIFRSA-N 376.457 -0.205 30 20 GBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H]2c2ccccc2)C1 1220387925 VQHIKWYUAVPKAK-HCXYKTFWSA-N 386.496 -0.205 30 20 GBED COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1318069241 ODQQVVZCIIFKBJ-ZFWWWQNUSA-N 384.392 -0.199 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(CC(=O)N2CCCC2)CC1 1318816170 WEAIMVWALIOMEF-HNENSFHCSA-N 389.456 -0.331 30 20 GBED COC[C@@](C)(C#N)NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 1319508324 HFSQJHAESFAPOK-CQSZACIVSA-N 388.471 -0.293 30 20 GBED O=C(NC1CC1)N[C@@H]1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1320303470 TVYXDYFCGURRQX-DKASORFFSA-N 376.417 -0.242 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC1CCN(C(=O)OCC)CC1 1321352525 MYMBTSXATCYGKO-UHFFFAOYSA-N 375.447 -0.560 30 20 GBED COC(=O)C[C@H]1CCCN1C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1323419633 INPKAXZXLCVCKH-PHIZWAGYSA-N 378.385 -0.817 30 20 GBED COC[C@H](CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)OC 1324422267 HUEOKZORAVGELU-ZDUSSCGKSA-N 391.428 -0.150 30 20 GBED CCN(C(=O)C(=O)N1CCN(c2snc(C)c2C#N)CC1)[C@@H]1CCNC1=O 1325958306 AOLKIONXHSIDOY-CYBMUJFWSA-N 390.469 -0.291 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)nn1 1325965564 TZTNVFBDZSQREN-HOTGVXAUSA-N 376.461 -0.160 30 20 GBED C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCO[C@H](C#N)C1 1326661471 SOWFEZSVFAMYQM-HZPDHXFCSA-N 386.456 -0.541 30 20 GBED CO[C@]1(C)C[C@@H](NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1(C)C 1328818541 YBFUAKHSAUUAPG-BKOXEGPCSA-N 378.429 -0.051 30 20 GBED COC[C@H]1CN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CCO1 1331226882 LJRTZTQYXORMBW-UONOGXRCSA-N 388.428 -0.741 30 20 GBED C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)C1 1333677557 LZQIXRGHIKGDSI-INIZCTEOSA-N 385.534 -0.002 30 20 GBED CC(C)CN1CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1342100593 SECXIDYRTQRBGS-NXVVXOECSA-N 377.445 -0.571 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N1CCN(CC(=O)N(C)C)CC1 1346213182 VSBSVWKZQPXSKQ-UHFFFAOYSA-N 386.452 -0.453 30 20 GBED C#CCN1CCC(C(=O)NCCN(CC)c2ccc(-c3nn[nH]n3)nn2)CC1 1588352262 XDKSNJAPRAPYSC-UHFFFAOYSA-N 383.460 -0.056 30 20 GBED C=CCOCCCC(=O)NC[C@H]1COCCN1c1ccc(-c2nn[nH]n2)nn1 1588682936 UYHCLDWPQGHDBJ-ZDUSSCGKSA-N 388.432 -0.039 30 20 GBED CC[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[C@@H]1NCC(=O)NCC#N 1590521868 SODSZFFLVOFCPY-RYUDHWBXSA-N 385.432 -0.335 30 20 GBED COCCN(CCC#N)C(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1591422428 JKWGKXJINACGDD-UHFFFAOYSA-N 393.429 -0.466 30 20 GBED N#CCSCC(=O)N[C@]1(CO)CCCN(c2nccnc2-c2nn[nH]n2)C1 1592679563 UWCDYVNQAYWHLI-OAHLLOKOSA-N 389.445 -0.639 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C(=O)O 1598808230 DKZWHBNKLHJUIS-GHMZBOCLSA-N 395.393 -0.943 30 20 GBED C=CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(CC(=O)O)c2)CC1 1609399004 WHMDKUPANNXEJK-UHFFFAOYSA-N 381.454 -0.078 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1778794801 ZOPPFKYAAGDKCC-UGSOOPFHSA-N 394.428 -0.425 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1781400617 OBNPXLAVSPCPFS-KDOFPFPSSA-N 394.476 -0.543 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncon3)C[C@@H]21 1783531761 USGNVNOIKGJCJY-JJVDHKILSA-N 389.412 -0.479 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1783554735 FCHPYVRVUSXXGL-QGZVFWFLSA-N 379.319 -0.109 30 20 GBED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]32)CCC1 1792139149 PUZVOCCGSKBJPK-AJNGGQMLSA-N 391.472 -0.747 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)CC(=O)N2 1797331691 RLYBYBMNSLVNJG-HBCWATKFSA-N 397.387 -0.528 30 20 GBED CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)S)CC1 1800985415 GSTJDERYWDOUDR-JJAZEVLHSA-N 398.529 -0.942 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2ccc(O)nn2)[C@@H]1c1cccnc1 1805271011 SRQDBQVTMUYKBM-UGSOOPFHSA-N 395.375 -0.015 30 20 GBED C[C@H](S)C(=O)N[C@@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1 1815067505 BJZJWWDBGBOXOH-YIZRAAEISA-N 385.515 -0.034 30 20 GBED N#CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817814249 JXBUXOCHVKIYEE-NSHDSACASA-N 396.371 -0.245 30 20 GBED CS(=O)(=O)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1826629744 INKMZTVTAUPTQU-CQSZACIVSA-N 384.454 -0.261 30 20 GBED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1831209405 LRTJFEWURUEQGO-FQEVSTJZSA-N 384.436 -0.111 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441851 HHADOULQLHAVJC-TYJAPOHBSA-N 377.445 -0.172 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(CO)on4)CCO3)C2)CC1 1838801711 JVBCOWXUPVOSRG-SFHVURJKSA-N 390.396 -0.459 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1839807459 BJLZKXMFTJEUJL-YOEHRIQHSA-N 378.454 -0.898 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1840172082 PXNNVAGUIMSWLM-GOSISDBHSA-N 390.396 -0.179 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)C=CC1=O)C2 1845256138 JZDABNOLVVIZMJ-CYBMUJFWSA-N 376.413 -0.084 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCCN2C(=O)CCC2=O)cc1 264313124 NXYHWLWLBUISEM-UHFFFAOYSA-N 377.422 -0.133 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCC(=O)N1CCOCC1 268156789 PPAVKYBIPXKHOS-AWEZNQCLSA-N 387.444 -0.183 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)c1 270033287 XQRQCAUJWALLNK-CQSZACIVSA-N 399.494 -0.248 30 20 GBED C#CCNc1nc(NC[C@H]2CC[C@@H](CO)O2)nc(NC[C@H]2CC[C@@H](CO)O2)n1 292883188 ZDSMLVFRWPPIMJ-KBXIAJHMSA-N 392.460 -0.180 30 20 GBED C=CCn1c(=O)/c(=C/c2cnn(C)c2)s/c1=C(\C#N)C(=O)N[C@@H](C)COC 296957847 NPHMPFQBMRUTLJ-RRFJUJEFSA-N 387.465 -0.517 30 20 GBED O=S1(=O)CCCC[C@@H]1CN/C(O)=N/CCS(=O)(=O)N1CCSCC1 329662837 POXOIZVGLIPQOP-GFCCVEGCSA-N 399.560 -0.164 30 20 GBED CN([C@@H]1COC[C@H]1O)S(=O)(=O)CCCS(=O)(=O)N(C)C1(C#N)CCC1 349467409 SCVQAOAGPCMDCD-CHWSQXEVSA-N 395.503 -0.894 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 349473672 YTZRFDGKNBTWIX-HZSPNIEDSA-N 378.520 -0.484 30 20 GBED N#C[C@@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)N=c2cc[nH]cc2)C1 349492029 IFLLSPJZFRXHJF-ZDUSSCGKSA-N 376.435 -0.097 30 20 GBED N#CC1CN(S(=O)(=O)CCCCS(=O)(=O)N2CCCn3ncnc32)C1 349605725 VUYXBNDGHOQXRT-UHFFFAOYSA-N 388.475 -0.617 30 20 GBED CC[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1cccc(S(N)(=O)=O)c1 410144036 UYMIYPMTHDKIIA-GXTWGEPZSA-N 388.471 -0.156 30 20 GBED C[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)S(N)(=O)=O 442359824 DJWDGYIIXRLGBY-SSDOTTSWSA-N 376.341 -0.109 30 20 GBED CN(CC(=O)NC[C@@H](CO)[C@@H]1CCOC1)S(=O)(=O)c1ccc(C#N)cc1 482668806 KGIDBRFNCVRDDN-CABCVRRESA-N 381.454 -0.060 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCc4c[nH]nc4C3)CC2)c1 520270220 ZMHAWDLPSAVCRQ-HNNXBMFYSA-N 379.424 -0.001 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1 537383435 JITJJINXDTVKBZ-NSHDSACASA-N 382.446 -0.234 30 20 GBED N#Cc1ncn(CCNC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)n1 557640397 RFSVPWMYYLXQJU-UHFFFAOYSA-N 396.454 -0.338 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NCCS(=O)(=O)N(C)C)c1 564402680 BRECRRZOMFUFRE-UHFFFAOYSA-N 375.472 -0.228 30 20 GBED COCCOCCN(C)C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 576979300 MIACTLHKCHGCEQ-UHFFFAOYSA-N 386.412 0.507 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCC(=O)N=c2cc[nH]cc2)cc1 580262299 SQSDTZOGVPHLRJ-UHFFFAOYSA-N 387.421 -0.202 30 20 GBED CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 601422224 QGEGVTSYFBXEFK-UHFFFAOYSA-N 392.504 -0.943 30 20 GBED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(CCC#N)CC1 602210888 VAEDSPWWKUESLW-UHFFFAOYSA-N 395.485 -0.283 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC1 728531907 KZZSHAOIIHNJFM-UHFFFAOYSA-N 397.435 -0.648 30 20 GBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)NC(=O)NCc2ccccc2)CC1 728573533 ZFZRKQZXXHPGRV-MRXNPFEDSA-N 385.468 -0.232 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)C2CCN(C(=O)N(C)C)CC2)CC1 729282047 WJFVUGUAGATAEM-UHFFFAOYSA-N 377.489 -0.336 30 20 GBED N#Cc1cccc(CNC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 745482129 NXMGGOQZKQVENY-DTDBQYNISA-N 397.387 -0.120 30 20 GBED C#CCNC(=O)C1CCN(CN2C(=O)N[C@](CC)(c3cnn(C)c3)C2=O)CC1 755729440 CDLYGYMVQXUIDW-LJQANCHMSA-N 386.456 -0.004 30 20 GBED NC(=O)[C@@H]1CC[C@@H](CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)O1 759851616 ATBJJLPYCZOOTN-JQWIXIFHSA-N 380.426 -0.736 30 20 GBED C[C@]1(c2ccc(C(=O)Nc3nc(C#N)c(-c4nn[nH]n4)[nH]3)cc2)NC(=O)NC1=O 820628794 NWQLEULJLPNUPI-MRXNPFEDSA-N 392.339 -0.232 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)CCOCc2ccccc2)CC1 830382905 BVAZOEMPWHUUGI-UHFFFAOYSA-N 379.482 -0.100 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c[nH]c(C(=O)O)c2)c1=O 833367880 ADFHOICKJTVOJT-UHFFFAOYSA-N 384.417 -0.403 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 872515923 YAGXLWTYWYAKJP-UHFFFAOYSA-N 383.495 -0.051 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCCC1=O 960015897 VPPBGJQATHFMBS-FXUDXRNXSA-N 377.441 -0.362 30 20 GBED C=CC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)C(=O)N(C)C1=O 1006534926 RKHIKRIMMARGBN-UTUOFQBUSA-N 376.413 -0.133 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1nonc1C 1111209898 NPAROHPWVWBVTG-BNOWGMLFSA-N 376.417 -0.346 30 20 GBED O=C(CN1C[C@H](O)[C@H](NC(=O)[C@@]23COC[C@@H]2C3)C1)NCC#Cc1ccccc1 1219663297 XUHYIXJSVNOXFU-NYUBLWNDSA-N 383.448 -0.648 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)N3CC[C@@H](S(N)(=O)=O)C3)CC2)nc1 1321214162 UCSUYDHLONMCRT-CQSZACIVSA-N 378.458 -0.006 30 20 GBED CC(C)c1nc([C@H]2COCCN2C(=O)C(=O)N2CC[C@](O)(CC#N)C2)no1 1326543753 AZGGFJAUFHNRTM-SJKOYZFVSA-N 377.401 -0.030 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1c1nc(C)ccc1-c1nn[nH]n1 1573286582 FJUUUPKUBBLJCI-UONOGXRCSA-N 385.428 -0.070 30 20 GBED C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573286861 JFHCEZNVHKWCQG-LBPRGKRZSA-N 387.400 -0.808 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(c2cc(C)ncc2-c2nn[nH]n2)CCO1 1573286969 JPJPFUZGWGJACF-KGLIPLIRSA-N 385.428 -0.070 30 20 GBED C#CCCN1CCC(N(Cc2cnn[nH]2)C(=O)CN2CCC(=O)NC2=O)CC1 1574883441 WSGKIVDZIVLPGP-UHFFFAOYSA-N 387.444 -0.437 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)CCOCc1cnn[nH]1 1575012745 GQEXIDREKAJSSA-BMFZPTHFSA-N 375.429 -0.049 30 20 GBED C#Cc1cncc(C(=O)NC[C@H](C)N(C)C(=O)CC(=O)NCc2cnn[nH]2)c1 1575032707 JLAMWEARCJQQLR-LBPRGKRZSA-N 383.412 -0.536 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)N1CCCO[C@H](CNCc2cnn[nH]2)C1 1575109400 YTDIGLCJKGHOOQ-CQSZACIVSA-N 379.465 -0.224 30 20 GBED COCCN(C)CCN1C[C@@H](Nc2cnc(-c3nn[nH]n3)c(C#N)n2)CC1=O 1579791445 RKDUXJBLLYLHQR-NSHDSACASA-N 386.420 -0.881 30 20 GBED Cn1c(=O)[nH]c(N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c(C#N)c1=O 1581747935 KTPNVWSZQDMDFM-ZDUSSCGKSA-N 380.368 -0.297 30 20 GBED C#CCOCCC(=O)NC1(CCO)CN(Cc2cccc(-c3nn[nH]n3)c2)C1 1588358761 ATZIFLPCOXBJCH-UHFFFAOYSA-N 384.440 -0.040 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)O)c(Cl)o2)CC1 1588484268 XYCLUSSIRNRJTI-UHFFFAOYSA-N 389.817 -0.313 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 1588500990 HRARTSTUPQHUFC-SJKOYZFVSA-N 378.408 -0.100 30 20 GBED C=CCOCC(=O)NCC1(O)CN(Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 1588673843 BNGSATCEDUHRLO-UHFFFAOYSA-N 388.428 -0.259 30 20 GBED C=CCOCC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1602868256 KHPSZIQLTKUHIG-LLVKDONJSA-N 375.389 -0.645 30 20 GBED N#CCC(=O)N1CCN(S(=O)(=O)Cc2ccc(F)cc2-c2nn[nH]n2)CC1 1606345405 IYGPJEZSVLXDRX-UHFFFAOYSA-N 393.404 -0.107 30 20 GBED Cc1occc1-c1nnc(SCC(=O)O)n1N=Cc1cn(CC(N)=O)nn1 1776027094 XXIKNPRLFUONAB-UHFFFAOYSA-N 390.385 -0.018 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1778967677 IEBOYIKKJOXOKN-IFXJQAMLSA-N 395.456 -0.158 30 20 GBED C[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)C=CC2=O)C1 1782317825 YPDIYIQSCUOBKA-VEVIJQCQSA-N 395.481 -0.256 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2ccccc2n1 1796829886 XRIHGXKRCHNNMH-IVWMJMPLSA-N 382.376 -0.375 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1 1802917612 WRJCLFWKOXABTN-CABCVRRESA-N 389.456 -0.320 30 20 GBED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1831183177 PWYWWHHYTQAAOF-KDOFPFPSSA-N 380.445 -0.339 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)COC)C2)C1 1831387400 HBWIHTUMJOBWAJ-GPMSIDNRSA-N 382.457 -0.236 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1831388421 SHBUKVBZIZRTJG-YHRBYZFPSA-N 380.441 -0.748 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1831434373 WUEAVTBXMRKZBJ-CLCXKQKWSA-N 395.456 -0.830 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)[C@H](C)CC)CCO2)C1 1831501326 JMNWYVDRKDYEOO-WWNBULGVSA-N 396.484 -0.112 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1832460976 MUPDGBKRTNABAV-KDOFPFPSSA-N 399.513 -0.113 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnsn3)CCO2)C1 1833522865 GIWOOVZDUYXKBB-CXAGYDPISA-N 394.453 -0.354 30 20 GBED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)CNC(=N)N)CC3)CC2)CC1 1834599580 GCBMBMCXMGJALE-UHFFFAOYSA-N 375.477 -0.655 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)OCC)CCO2)C1 1834777063 QTASRJKUXKCVIP-UCFODXPJSA-N 378.425 -0.025 30 20 GBED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836361447 REQVKCVHUUOCPJ-KCXAZCMYSA-N 384.546 -0.401 30 20 GBED N#CCC(=O)N1CCC(OC2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1837634305 JGTREAWOMGLMCW-OAHLLOKOSA-N 379.461 -0.509 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4CNC(=O)C4)CCO3)C2)CCC1 1839874164 AERZCBSCPXWFMQ-KUHUBIRLSA-N 390.440 -0.727 30 20 GBED CSCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039839 IPBBAUUFXNGHIC-SFHVURJKSA-N 398.481 -0.080 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1840167406 ORCVMBNVHCMDCW-BEFAXECRSA-N 377.441 -0.475 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1840842652 SPAOBFPQFQHGSL-LJQANCHMSA-N 393.440 -0.302 30 20 GBED C/N=C(/NCc1cnc(N(C)C)n1C)N1CCN(C(=O)[C@H]2CCCO2)CC1 87157379 GNMMDAYRMUXLJY-OAHLLOKOSA-N 377.493 -0.115 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)C1=O 264296335 SXTYUOTYHXYAQE-SNVBAGLBSA-N 397.334 -0.203 30 20 GBED N#Cc1ccc(O[C@H]2CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)C2)nc1 292502390 XLCYMGJRRXHBLR-AWEZNQCLSA-N 379.442 -0.152 30 20 GBED CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 292982113 HQTVKTPZJQAORM-UHFFFAOYSA-N 389.231 -0.075 30 20 GBED C=CCn1nnnc1SCC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 299071368 XPPNTCMGLKQTFO-NSHDSACASA-N 375.476 -0.387 30 20 GBED CN1CCO[C@@H]2CN(/C(O)=N/CCS(=O)(=O)N3CCSCC3)C[C@@H]21 329978194 HCPMBAUEWYLHMH-QWHCGFSZSA-N 378.520 -0.706 30 20 GBED COCC1(O)CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)C1 349459019 UTIYZSXQZFIORO-UHFFFAOYSA-N 389.455 -0.788 30 20 GBED CN1C[C@H]2CN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)C[C@H]2C1 349493573 MTMIPFWTKIQGLK-OKILXGFUSA-N 392.547 -0.237 30 20 GBED CN1CC[C@]2(CCN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)C2)C1 349504746 RHRJTUJOIZRELI-AWEZNQCLSA-N 378.520 -0.481 30 20 GBED COCCC(=O)N1CCC(NS(=O)(=O)N(CCC#N)CCOC)CC1 409518570 NEMKDHAKRHXUJL-UHFFFAOYSA-N 376.479 -0.290 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CNCCCO3)CC2)c(F)c1 420182560 FOLRMITYWYTKHF-HNNXBMFYSA-N 389.431 -0.159 30 20 GBED C=CCC[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(=O)OCC 456619102 BFPMBIZYLPFJEY-LLVKDONJSA-N 377.401 -0.552 30 20 GBED C=CCSCCNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 513640136 KCNHPFMCNSRCFC-UHFFFAOYSA-N 381.458 -0.284 30 20 GBED C=CCNC(=O)CNC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 539694391 ICRBYLZZOVMHND-UHFFFAOYSA-N 384.458 -0.703 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)C(=O)NCCN(C)C 570738938 OJZZKSNOTZKNPD-OLZOCXBDSA-N 395.485 -0.592 30 20 GBED CC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1 570865483 BZOLMKBRGIZGRO-LBPRGKRZSA-N 386.455 -0.612 30 20 GBED N#CCC1(O)CN(S(=O)(=O)c2ccc(S(=O)(=O)Nc3cn[nH]c3)cc2)C1 582856707 SDMFELMLPVCESU-UHFFFAOYSA-N 397.438 -0.140 30 20 GBED CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588128121 ZJKIDCKYQPLPNH-UHFFFAOYSA-N 392.504 -0.897 30 20 GBED C=CCNC(=O)[C@@H](C#N)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727234181 YOLIOBUDBJFUEF-QMMMGPOBSA-N 393.201 -0.096 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccs2)CC1 728532657 GLOJNEAXUSAHJF-CYBMUJFWSA-N 398.510 -0.692 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C2=NN(CCO)C(=O)CC2)C1 756920047 MFVFBHBDGIQKON-YPMHNXCESA-N 379.417 -0.168 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)NN=Cc2cn(C)c(=O)n(C)c2=O)cc1 767796075 NRTAKCMIPUXTFU-UHFFFAOYSA-N 394.409 -0.427 30 20 GBED C#CCNc1nc(N[C@@H]2CCCN(C)C2=O)nc(N[C@@H]2CCCN(C)C2=O)n1 804533029 SHDUJVYPKRVKIG-CHWSQXEVSA-N 386.460 -0.018 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)Cn2c(N)nc(C#N)c2-c2nn[nH]n2)CC1 824185388 YEEUYNCGGHOKFX-LBPRGKRZSA-N 383.420 -0.791 30 20 GBED N#Cc1ncn(Cn2nnc3c(cnn3-c3ccccc3)c2=O)c1-c1nn[nH]n1 826388414 XLMNYUIKLHAHEY-UHFFFAOYSA-N 386.339 -0.269 30 20 GBED C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 848942773 XASAMEXICGNAPC-QWHCGFSZSA-N 385.467 -0.070 30 20 GBED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCNC2)c1 861545301 VACCTQDPTNQCLP-QQJFDMGQSA-N 393.469 -0.084 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cccc(=O)n2C)[C@H](OC)C1 946647032 DUKYWXDIWOBJPL-LUYZLQTOSA-N 375.425 -0.068 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2F)C[C@@H]1n1ccnn1 990964053 XKKNHGUNXBFTLI-ZZVYKPCYSA-N 389.391 -0.087 30 20 GBED N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCS(=O)(=O)N2)c[nH]1 996120695 AEDGTLJVIPJZEQ-MQYQWHSLSA-N 377.426 -0.560 30 20 GBED C=CCN1CC[C@H](N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CCNC(=O)COC)C1=O 1110624933 XAMYHFDIAQYLGP-WCVJEAGWSA-N 378.473 -0.353 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1CC2(C1)CS(=O)(=O)C2 1110715136 QFYPUKMBFMFQEV-KFWWJZLASA-N 379.482 -0.718 30 20 GBED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 1117137074 UHIWBARXSOXIDF-GFCCVEGCSA-N 395.503 -0.235 30 20 GBED CNS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 1117352695 YSBHELFFQSMGFG-GJZGRUSLSA-N 378.454 -0.050 30 20 GBED C[C@]1(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCC(=O)N1 1118102019 ONGYTESHUSERDX-HXUWFJFHSA-N 383.452 -0.013 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2CCCc2ccccc2)CC1 1120108258 VQYWOECDSMIUHW-UHFFFAOYSA-N 389.485 -0.105 30 20 GBED COCC#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C[C@@H]1n1ccnn1 1130015217 NBJFRVPCYNBNQY-MLHJIOFPSA-N 383.456 -0.193 30 20 GBED COc1ccc([C@@H]2C[C@H]2CC(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)cc1 1193875252 KYRXLLVKPWZMSP-DZJNRPSUSA-N 386.452 -0.010 30 20 GBED CNS(=O)(=O)c1ccc(Br)c(C(=O)NCC(=O)NCC#N)c1 1258173650 VZNYNXPNXGWLFZ-UHFFFAOYSA-N 389.231 -0.273 30 20 GBED C#CCN1CCC[C@@H](NC(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)C1 1262041190 PFMXNQHOZMGRJE-QZTJIDSGSA-N 393.532 -0.048 30 20 GBED C=C(C)Cn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1[C@]1(O)CCOC1 1263279609 LXZUSRUONNSFOV-IBGZPJMESA-N 390.488 -0.137 30 20 GBED C#CCCN1CCC(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 1318659951 AVPIWLIWWNGALA-OAHLLOKOSA-N 394.497 -0.244 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)CC2)nc1 1322491653 RNPBXTCHBZUDMZ-OAHLLOKOSA-N 397.439 -0.726 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CC[C@@H](F)C3)CC2)cc1 1328269479 BPBZCXBJOZEFAM-CQSZACIVSA-N 394.428 -0.038 30 20 GBED C#CCCCNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 1328846691 YWAFSAKGRQVPNK-UHFFFAOYSA-N 381.454 -0.555 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCCNC(=O)c2ccccc2F)CCN1C1CC1 1329961202 IYZSJAGMTBESMX-CQSZACIVSA-N 387.415 -0.130 30 20 GBED C=CCn1c(-c2cn(CCO)nn2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1340783443 PNCHJBCIFMTUDI-HNNXBMFYSA-N 388.476 -0.127 30 20 GBED N#CCN1CCC(NC(=O)C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC1 1341933587 HOQBLYDLHPGIET-IBGZPJMESA-N 399.495 -0.026 30 20 GBED CO[C@@]1(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CCOC1 1343352447 BGWRSAGXDYMEQG-GOSISDBHSA-N 390.444 -0.830 30 20 GBED C#CCN1CCN(c2nnc(-c3ccc4c(=O)n(C)c(=O)n(C)c4n3)n2C)CC1 1350441767 LCENNKUHTLOQCW-UHFFFAOYSA-N 394.439 -0.817 30 20 GBED N#C[C@@H](C(=O)NC1CCCC1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1524677668 LWOBPKWJCKJRKD-QWHCGFSZSA-N 394.453 -0.080 30 20 GBED C#CCNC(=O)CC(=O)N(C)CCCNC(=O)c1ccc(-c2cnn[nH]2)nc1 1575004597 GQOLBMWFPGLLJC-UHFFFAOYSA-N 383.412 -0.416 30 20 GBED C#CCOCCC(=O)N(C)C1CCC(NCC(=O)NCc2cnn[nH]2)CC1 1575013487 PTQNCTXYRPIIKK-UHFFFAOYSA-N 376.461 -0.180 30 20 GBED C#Cc1ccc(C(=O)N(C)C[C@@H](O)CNC(=O)CCOCc2cnn[nH]2)cn1 1575021916 KVQKYHXVJLXDKD-INIZCTEOSA-N 386.412 -0.663 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)CCCc3cnn[nH]3)C[C@H]2O)nn1 1575100706 VFSZAQOSLYODEH-UKRRQHHQSA-N 388.432 -0.703 30 20 GBED N#CCNC(=O)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1581858044 OGFIGBVDQPUWLR-KGLIPLIRSA-N 383.416 -0.487 30 20 GBED N#Cc1cc(C(=O)NC[C@H]2[C@@H]3CN(c4nccnc4-c4nn[nH]n4)C[C@H]23)c[nH]1 1581865212 FRTYDDLDZAUHKW-XYYAHUGASA-N 376.384 -0.031 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@]1(O)CCN(c2nc(C)cc(-c3nn[nH]n3)n2)C1 1588504106 IZBHBYGVUFCNQU-DLBZAZTESA-N 388.432 -0.650 30 20 GBED C=CCCn1cc(C(=O)NC[C@@H](CO)Nc2ncccc2-c2nn[nH]n2)nn1 1588620928 MXPGYJDCNDAFES-NSHDSACASA-N 384.404 -0.368 30 20 GBED C#Cc1ccc(C(=O)NC[C@H](O)CNc2nc(C)cc(-c3nn[nH]n3)n2)cn1 1602736997 KPBGIHDTYDOJJF-ZDUSSCGKSA-N 379.384 -0.456 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](CNc2nccnc2-c2nn[nH]n2)C1 1602885308 AFIRHGSFILWKAJ-UPJWGTAASA-N 386.416 -0.113 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCn3ccnn3)C2)C1 1784531130 PBWRGWGGTUIOGN-CRAIPNDOSA-N 375.429 -0.464 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784592562 PGIWJLLWEKXFPJ-CZUORRHYSA-N 380.474 -0.017 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cnnn4)[C@H]3C2)cc1 1787092191 DFTDKVTUTZGSCY-ULQDDVLXSA-N 395.423 -0.162 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CO)o3)C[C@@H]21 1791076593 AKPYVLBZZDSYEN-WHOFXGATSA-N 376.365 -0.547 30 20 GBED CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795411077 PCDAKZAZUJMIDK-FQUUOJAGSA-N 377.445 -0.413 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1807610328 RHTGMCQSQHQDPI-HFTRVMKXSA-N 397.439 -0.188 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CC)CCO2)C1 1830521990 YZDMQIXIILSUFX-VCBZYWHSSA-N 384.473 -0.213 30 20 GBED CC(C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1832316841 DIJGHGUTFBJSSN-GOSISDBHSA-N 382.413 -0.654 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1832453375 XXZIHEMJRLTYEL-MRXNPFEDSA-N 381.458 -0.206 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4CCC(=O)N4)CCO3)C2)CCC1 1835126788 DUEJBINLJMQBIS-LIRRHRJNSA-N 390.440 -0.585 30 20 GBED C[C@]1(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)CCCN1 1836384658 CEXBAYFQEHJXCD-HXUWFJFHSA-N 390.484 -0.212 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1836476596 DJWWGEAKRCACNJ-JTDSTZFVSA-N 379.457 -0.438 30 20 GBED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)nn1 1840161907 FHQLLXWDABLPSS-YVEFUNNKSA-N 396.469 -0.127 30 20 GBED CS(=O)(=O)CC(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282464 UBJSAHGNGGTRNF-UHFFFAOYSA-N 382.482 -0.067 30 20 GBED C[C@@H](C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)[C@H]1SC(=N)NC1=O 1846195379 KBESKQKWXZJDIU-BXKDBHETSA-N 378.410 -0.920 30 20 GBED CN(C)CCCN(CCC#N)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 69576438 UIHIOFSXGGVOBW-LSDHHAIUSA-N 384.502 -0.284 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@H](C)CS(C)(=O)=O)CC2)o1 69863553 CAEQUUAWBSRADR-GFCCVEGCSA-N 383.474 -0.132 30 20 GBED CCNC(=O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 91515719 ZXWMJDKYRVVENO-KRWDZBQOSA-N 378.521 -0.568 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CN(C)c2ncnc3nc[nH]c23)CC1 264879451 HUKFVCIWXIVMPR-UHFFFAOYSA-N 384.444 -0.927 30 20 GBED C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H](C(N)=O)O1 277281933 SHRSILUGWYUSFR-DAXOMENPSA-N 385.424 -0.057 30 20 GBED N#Cc1ncn(CCNC(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1 287166178 QQPPKQKFLLOKEW-MRXNPFEDSA-N 382.428 -0.296 30 20 GBED CCS(=O)(=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 298795594 DQUGYOQMBNRIMG-UHFFFAOYSA-N 385.467 -0.174 30 20 GBED CCC(=O)N1CC[C@@H](N/C(O)=N/CCS(=O)(=O)N2CCSCC2)C1 329999933 VPOKKSLWWJNYBN-GFCCVEGCSA-N 378.520 -0.121 30 20 GBED CC/N=C(/O)N1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 330042449 GTJIOWSNGVHEHK-UHFFFAOYSA-N 396.535 -0.461 30 20 GBED O=C(CN1CCOCC1)N1CCN(/C(O)=N/[C@H]2CC(=O)N(C3CC3)C2)CC1 330268203 IMUWXQNPWMBUIK-AWEZNQCLSA-N 379.461 -0.860 30 20 GBED C[C@H]1NC(=O)N(CCN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 332314601 UKHUSSIRONIKFJ-CYBMUJFWSA-N 391.453 -0.195 30 20 GBED CCc1nnc(NS(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)o1 348338902 FUJJLPOHOQLPIX-UHFFFAOYSA-N 393.447 -0.946 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[S@@](=O)CC[C@H]1C 349461518 QVPWVOFIXNMGHK-DMZKTXOQSA-N 399.560 -0.276 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2C[C@H]3[C@H]4CC[C@@H](O4)[C@H]3C2)CC1 349477786 QYHVPZTXRHYUAD-XJFOESAGSA-N 389.499 -0.209 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCS[C@H]2COCC[C@H]21 349486264 BYOIVVMSZXGVRP-OLZOCXBDSA-N 397.544 -0.302 30 20 GBED CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]1C(N)=O 349530983 FZKJTXZFTXNITQ-SMDDNHRTSA-N 392.503 -0.732 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCOC2)c1C#N 349555966 VTLZOWXBJAZVAE-SNVBAGLBSA-N 377.448 -0.570 30 20 GBED COC(=O)[C@H]1[C@H](O)CCCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 368723522 DZGGFVPSIDOBKS-GDBMZVCRSA-N 380.422 -0.002 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCO[C@@H](CN)C3)C2)c(F)c1 418857788 UCCFHVKBNMQSCB-CABCVRRESA-N 389.431 -0.032 30 20 GBED Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)NCC(=O)NCC#N 568640326 YWCYJERQSGHMJQ-UHFFFAOYSA-N 395.485 -0.405 30 20 GBED C[C@H]1OCC[C@]1(O)CNS(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 578143239 GSZVYNVQAVNSMR-RISCZKNCSA-N 389.455 -0.693 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2COC[C@H]2OC)cc1 578505298 PKIABMCGEUPNJN-HUUCEWRRSA-N 397.453 -0.038 30 20 GBED CN(C)S(=O)(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 597487327 LYBXQIVBABACTC-CQSZACIVSA-N 379.442 -0.434 30 20 GBED COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 609534519 JPCAJKGAANFDHG-UKRRQHHQSA-N 395.437 -0.032 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1ccc(-n2cnnn2)cc1 735080548 JAHHJWDWZGTYKJ-PFONDFGASA-N 389.397 -0.533 30 20 GBED C[C@H](CC(=O)O[C@H](C)C(=O)NC(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 745495344 HICYLCFHOCNRRD-RKDXNWHRSA-N 382.398 -0.370 30 20 GBED C#CCNC(=O)C1CCN([C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CC1 747969225 WAKXKYVBFLWUMW-HOCLYGCPSA-N 383.514 -0.128 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2C#N)CC1 758074930 CBPBNQFOGFBRBA-UHFFFAOYSA-N 387.487 -0.154 30 20 GBED CCOC(=O)CON=C(C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1cc[nH]n1 770812945 ALRMWCVYSZTYSE-UHFFFAOYSA-N 395.397 -0.020 30 20 GBED COC(=O)c1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 771898765 RDEOSDOBVBGJMS-UHFFFAOYSA-N 380.382 -0.817 30 20 GBED Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)NC2(C#N)CCC2)cn1C 784212547 GNTWBYQPOYLUQX-UHFFFAOYSA-N 383.430 -0.497 30 20 GBED C[C@](C#N)(NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C1CC1 786365356 NDMCFFCJGJCYIC-JUMYGPENSA-N 389.408 -0.109 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 786994610 DNZNBCKKBHCCJF-CQSZACIVSA-N 396.444 -0.745 30 20 GBED C#CCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 792305863 LEQIRPIKERPSLH-UHFFFAOYSA-N 393.465 -0.144 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 825369908 JELWQQDDOATRKX-QGZVFWFLSA-N 390.400 -0.969 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)C2(CC(=O)OCC)CC2)CC1 830558166 NIUDQEXXSMGVKC-UHFFFAOYSA-N 385.486 -0.441 30 20 GBED C#CC(C)(C)N(C)S(=O)(=O)CCCCS(=O)(=O)N=c1nc(C)[nH]n1C 848969538 REFBKFFAJJFNPV-UHFFFAOYSA-N 391.519 -0.259 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C 959634902 HFJDRUHCIVMYRW-TUVASFSCSA-N 392.456 -0.127 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1O 1023916403 WTIRBMBXDWVTOK-CFAJVAMVSA-N 393.440 -0.902 30 20 GBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1O 1024956192 ROMABRKLIXQJMC-WXRGLTTHSA-N 398.459 -0.050 30 20 GBED CN1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(C#N)cn2)S1(=O)=O 1055223811 VSYUSMAZPFHTJI-ZOBORPQBSA-N 376.442 -0.392 30 20 GBED CCc1nc(C#N)cc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CS(=O)(=O)NC)n1 1092840839 MPDNWZAORTUACD-AGIUHOORSA-N 378.458 -0.314 30 20 GBED C#CCNC(=O)CN1CC2(C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)c3nccn32)C1 1101633858 HQVILGYVXHDDTE-ZHHZMWCQSA-N 395.463 -0.372 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnn(CC)n1 1109231597 UEDFZCMAXLDYIY-DYEKYZERSA-N 375.433 -0.355 30 20 GBED N#C[C@H]1CNC[C@@H]1NC(=O)c1cc(S(N)(=O)=O)c(Br)s1 1118270074 UJMMJUVSEFNSRH-WDSKDSINSA-N 379.261 -0.001 30 20 GBED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H](CO)[C@H](CO)C2)cc1 1118934440 BWYCSKBZFNCUAJ-STQMWFEESA-N 376.413 -0.008 30 20 GBED N#Cc1cn(CC(=O)N2CCc3c(nnn3-c3ccccc3)C2)c(=O)nc1O 1298324015 JCIBLNOAKYRXHB-UHFFFAOYSA-N 377.364 -0.014 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1 1325138909 BWRMOEQWSUWPHL-AWEZNQCLSA-N 395.485 -0.643 30 20 GBED CN1C(=O)c2ccc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cc2C1=O 1341885456 MJTIJWBQHQVSIB-CYBMUJFWSA-N 389.389 -0.508 30 20 GBED N#Cc1cccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)n1 1343518984 XFRNLFPMDXJNRG-CQSZACIVSA-N 391.453 -0.986 30 20 GBED C[C@H](O)C[C@@H]1CCCCN1C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1346276592 LJBGVRNYACQTGR-CRQJOFGKSA-N 378.429 -0.219 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O 1573300899 WIEZCMIODQCFLO-ZWNOBZJWSA-N 375.389 -0.384 30 20 GBED C=C[C@@](C)(O)CC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573309592 LIOYULWEFHGFPY-SJORKVTESA-N 389.416 -0.785 30 20 GBED C[C@@H](C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 1573571149 ZSTTVUBGDPNHNT-APPDUMDISA-N 384.400 -0.202 30 20 GBED C#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3cnn[nH]3)nc2)nc1 1575022396 PATZYYUDDOVSQA-CQSZACIVSA-N 391.391 -0.236 30 20 GBED N#Cc1cn(CCC(=O)N2CCc3ccc(-c4nn[nH]n4)cc32)c(=O)nc1O 1581876732 FHOJVFCHEOASCV-UHFFFAOYSA-N 378.352 -0.020 30 20 GBED C#CCNC(=O)CN1C[C@@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 1588354783 ZCZCVDFPUISECB-SWLSCSKDSA-N 382.428 -0.519 30 20 GBED C#CCOCCC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[nH]n3)c(C)n2)C1 1588361831 TVXQCCVZSCVRSV-SFHVURJKSA-N 385.428 -0.333 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1602867021 RZHUPWGZWAKJOW-APPDUMDISA-N 389.416 -0.521 30 20 GBED C=CCn1cc(C(=O)NC2CCN(c3cnc(-c4nn[nH]n4)cn3)CC2)nn1 1602882250 DVNUKQVSJBOEAW-UHFFFAOYSA-N 381.404 -0.167 30 20 GBED C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1648799874 UMQMBCZZOJOCEZ-NJZAAPMLSA-N 398.510 -0.025 30 20 GBED CCO[C@@H]1C[C@@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)[C@]12CCCO2 1686065444 YONOSWHTRMZFSN-PBFPGSCMSA-N 377.401 -0.154 30 20 GBED C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1706790864 KYEVNSRECKJPHS-RBSFLKMASA-N 389.460 -0.321 30 20 GBED CN1CC[C@](O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)C1 1729597908 SKPRGKCSRFNIAE-GDZNZVCISA-N 375.433 -0.975 30 20 GBED CC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1783139934 HVKXJJILHLPXLD-HXUWFJFHSA-N 391.468 -0.349 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(C)=O)C2)C1 1783189570 TYUUTNUBPWRSPI-LJQANCHMSA-N 395.456 -0.148 30 20 GBED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1784533777 NPMAKIXGJXBQMG-ABHRYQDASA-N 382.490 -0.393 30 20 GBED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC=O)C[C@@H]21 1789958849 ZYADFFBUYWKQTC-OWYFMNJBSA-N 382.461 -0.099 30 20 GBED CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1)C2 1795361297 XFBDOOQDFVYCEE-SCAQPMJSSA-N 391.449 -0.194 30 20 GBED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O)C(F)(F)F 1795361639 XOMASTBHYNINBA-PEGIJTEDSA-N 384.376 -0.261 30 20 GBED CN1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)CC1 1797238904 IBQVJFHYYIVBSJ-ALXJQNPVSA-N 389.500 -0.483 30 20 GBED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2 1797784456 XLFGGLKGFKTHIL-MIFYACCESA-N 388.424 -0.029 30 20 GBED C=CCC(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1813060096 BCLMVBHZJXTUCA-FXAWDEMLSA-N 390.484 -0.050 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCCC1=O)CC2 1825664430 GWFADVFNOJYWCE-JTQLQIEISA-N 390.421 -0.235 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCNC4=N)C3)C2)C1 1829667041 RJSXOFWGESYLAU-IBGZPJMESA-N 391.472 -0.751 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)OC)C2)C1 1829773180 CRQBPSYRGBJYHR-YLRDJVGTSA-N 395.456 -0.664 30 20 GBED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834767011 KCYOYFMAINXBQH-DYVFJYSZSA-N 383.401 -0.082 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1835707879 SVPTZGLNNKNQHX-DHSIGJKJSA-N 394.497 -0.144 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1835763597 KSHBZQRNVGYMGM-QMTMVMCOSA-N 397.472 -0.282 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1 1839192364 WWMLENQKQCKHON-QAPCUYQASA-N 386.445 -0.957 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1839808367 OUIXOCQQUDDGHN-HXUWFJFHSA-N 398.419 -0.242 30 20 GBED CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1839857235 UFHAVBBIRYBNOJ-RDJZCZTQSA-N 387.502 -0.467 30 20 GBED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840157238 ISHZWBUJKYNRAJ-IGCXYCKISA-N 387.502 -0.324 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1840172744 GONKPLLLIKVFDQ-IBGZPJMESA-N 375.425 -0.119 30 20 GBED O=C1CC(C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@@H]3CCCCO3)C2)=NN1 1844301037 OWVIIMOLAUHQDS-QANDDYDISA-N 377.401 -0.405 30 20 GBED C=CCCO[C@H](C)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 66318633 HSEMLWVUHVHSGN-KGLIPLIRSA-N 394.515 -0.371 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(CC(N)=O)CC2)c1 149837937 WFMDKZKKDHPCQJ-UHFFFAOYSA-N 378.454 -0.769 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)CCOC(C)C)CC1 267039426 OOPQTCRWJMGNGY-CQSZACIVSA-N 390.506 -0.241 30 20 GBED C=CC[C@H](CO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 273457962 HKYDZGSWJCMJRJ-DYEKYZERSA-N 399.425 -0.228 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)OC)cc1 275671837 WDZVGNZGKWDJFW-HUUCEWRRSA-N 380.422 -0.263 30 20 GBED CC/N=C(/O)CN1CCN(C(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 329645740 ZPISKAZYOXTNJN-BQGCOEIASA-N 392.456 -0.341 30 20 GBED N#Cc1ccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 331929456 NXZBCLJDAVHSRQ-MRXNPFEDSA-N 390.465 -0.381 30 20 GBED CN(c1ccc(C#N)nc1)S(=O)(=O)CCCS(=O)(=O)N1CC(C)(O)C1 349458226 GELJHDZQGBZNPC-UHFFFAOYSA-N 388.471 -0.494 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN2C(=O)OC[C@H]2C1 366301429 XOAWPDWNXLTRDB-DGCLKSJQSA-N 378.410 -0.112 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 374060531 CKVVOWOLVSELQN-KCPJHIHWSA-N 376.438 -0.038 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C[C@@H](CO)O1 459863375 JQTUNJXWHBYJKE-QAPCUYQASA-N 386.452 -0.189 30 20 GBED COC(=O)[C@H]1C[C@H](O)CN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 473191301 MOCRXAZNIKFCRG-GXTWGEPZSA-N 377.401 -0.889 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)NC(C)(C)C)CC2)C1=O 476271788 KSSBWLKVYSYMFO-UHFFFAOYSA-N 379.417 -0.385 30 20 GBED Cc1cc(NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)nn1CCC#N 504107486 CSUIGWMKNMXOQB-UHFFFAOYSA-N 384.462 -0.122 30 20 GBED N#Cc1ncn(CCNS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)n1 511360079 MVGCRDFVUNHABZ-UHFFFAOYSA-N 396.454 -0.431 30 20 GBED CC(C)(O)CN1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 555028261 CWTLBRKFJZJJBG-UHFFFAOYSA-N 380.470 -0.248 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN(C)S(=O)(=O)N(C)C 580572813 AQKKXOCEBYVTFY-GFCCVEGCSA-N 381.462 -0.876 30 20 GBED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 588123869 NAPAFKFSDQTGNH-LSDHHAIUSA-N 393.488 -0.520 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1 592302951 YATHOSNJEFWHCQ-KRWDZBQOSA-N 392.437 -0.057 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 592845519 OONWDBDGZWOBBF-YVEFUNNKSA-N 392.437 -0.436 30 20 GBED C[C@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(CC#N)CC#N)c2)C[C@@H]1O 594631992 VLQJQONYEXXANA-WFASDCNBSA-N 398.466 -0.274 30 20 GBED CC1(CNS(=O)(=O)CCCS(=O)(=O)Nc2ncc(C#N)s2)COC1 594637535 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CCOC(=O)c1ccc(S(=O)(=O)NC(=O)[C@@H](C)n2cnc(C#N)n2)nc1 798847481 ZZLMAHPSTOQXCQ-SECBINFHSA-N 378.370 -0.212 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 800109630 ZWPAFGIDPRARQE-XQQFMLRXSA-N 385.446 -0.196 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CC1 831556160 IZPPXCJFKPRAGH-CQSZACIVSA-N 394.428 -0.137 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)CC1 872515924 YAUMRFUGSAFPHK-UHFFFAOYSA-N 399.494 -0.215 30 20 GBED C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)C1 891606948 KBUJYZHHXJDJMJ-MRXNPFEDSA-N 383.452 -0.225 30 20 GBED CN(CC(N)=O)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918445535 DOXVMBGQEZFHDK-XMHGGMMESA-N 395.441 -0.618 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)C1 965495014 CTBAWQCVZUWKTG-FZKCQIBNSA-N 391.468 -0.081 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CS(=O)(=O)C1 996766639 UHXYBZOHJHWOIY-UGUYLWEFSA-N 379.482 -0.623 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 1115822237 XZVFSWDSTRGABN-UHFFFAOYSA-N 390.421 -0.588 30 20 GBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1121377061 OLQZEEFYAKNGLV-UONOGXRCSA-N 387.488 -0.143 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2C[C@H]2CC)C1 1129271448 FQXGCNIIWNRYEY-TUVASFSCSA-N 389.460 -0.323 30 20 GBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 1193075277 BUOIZDSDSBVUBS-NCXUSEDFSA-N 385.464 -0.283 30 20 GBED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1CCC[C@]12CCOC2=O 1261566629 SOYHPTMPOUFZSK-CYBMUJFWSA-N 379.460 -0.679 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCCC(=O)N(C)C 1321917702 OUAGNEABKKLEPX-CYBMUJFWSA-N 387.444 -0.630 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CC[C@@H]2OCCC[C@H]2C1 1323420568 NJQUMVCSXLNABO-JQQGEINESA-N 376.413 -0.344 30 20 GBED C[C@]1(C#N)CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)C1 1326036274 OQIFCUWDNZBQBI-HNAYVOBHSA-N 375.473 -0.191 30 20 GBED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccc(C#N)c(F)c2)CC1 1327829559 GGBBERXEZSCFIC-UHFFFAOYSA-N 397.432 -0.736 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1329618641 LWVWLTADGRKPPT-JKSUJKDBSA-N 380.489 -0.151 30 20 GBED CN(C)S(=O)(=O)N1CCN(c2nnc(C3(C#N)CCOCC3)n2C)CC1 1345096195 OHWZKCPKJLDZPS-UHFFFAOYSA-N 383.478 -0.685 30 20 GBED CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)N1CC[C@@](F)(C#N)C1 1348366029 LFXLOPLHAUGVCT-MRXNPFEDSA-N 398.416 -0.365 30 20 GBED CN1C(=O)CC[C@@H](NC(=O)C(=O)N2CCCN(c3ccccc3C#N)CC2)C1=O 1349047989 PENSSARIALVBBB-OAHLLOKOSA-N 397.435 -0.139 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2O)nc1 1573287519 JGWUFDDTSIATBW-GXTWGEPZSA-N 391.395 -0.597 30 20 GBED C#CCNC(=O)[C@@H](C)N1CCC[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353315 NRTIFRDQNLAXNX-CHWSQXEVSA-N 384.444 -0.226 30 20 GBED C=CCCOCC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1588615730 FTCDQQVDMASQDN-GFCCVEGCSA-N 389.416 -0.255 30 20 GBED C=CCNC(=O)[C@@H](C)N1CCO[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588657021 FHQBVDCIBTZUIF-DGCLKSJQSA-N 388.432 -0.684 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CNc1cc(-c2nn[nH]n2)nc(CC)n1 1588722899 DNKGZEPFHKZTPL-LOWVWBTDSA-N 388.432 -0.301 30 20 GBED CC1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCN(CC(=O)NCC#N)CC1 1590132152 YNDWQZMGUXSGPP-UHFFFAOYSA-N 385.432 -0.334 30 20 GBED C[C@H](CC(=O)N[C@]1(C(=O)O)C[C@H](O)C1)/N=C1/NS(=O)(=O)c2ccccc21 1592262518 VSKXPNLSPNURIH-LYGAQUJYSA-N 381.410 -0.402 30 20 GBED N#CCNC(=O)CN[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C12CCC2 1592678071 NUKRUWNNFPZGSA-OLZOCXBDSA-N 383.416 -0.535 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc(-c2nn[nH]n2)ccn1 1592871240 GJZIYYJMBFDKNZ-UHFFFAOYSA-N 384.381 -0.061 30 20 GBED O=C(N[C@H]1CCN(O)C1=O)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2F)C1 1592988560 LKLNXAJVUSUMQW-PWSUYJOCSA-N 375.364 -0.062 30 20 GBED COC(=O)C1(NS(=O)(=O)N2CCO[C@@H](C#N)C2)CCC(C(=O)O)CC1 1598723752 CKROLHRQVUNBSD-CVZZAPKMSA-N 375.403 -0.768 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)NCCNc1ncccc1-c1nn[nH]n1 1604274118 IVAHUUXQAIZYQD-LLVKDONJSA-N 379.450 -0.010 30 20 GBED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)O)C1 1604584634 WUUIZCJJTFFVIW-DOMZBBRYSA-N 375.447 -0.110 30 20 GBED COc1cc(CNC(=O)C(=O)Nc2cnn(CC#N)c2)ccc1-c1nn[nH]n1 1605210578 KPDDPJXDHXANFW-UHFFFAOYSA-N 381.356 -0.150 30 20 GBED N#Cc1ncn(CC(=O)NC2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)n1 1609501369 RCEFNEULWUNFEH-UHFFFAOYSA-N 379.388 -0.490 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1778970244 ASHKSZYIBXLBPT-FZKQIMNGSA-N 378.429 -0.735 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779384571 XVPROENGVGSWFM-PXAZEXFGSA-N 391.384 -0.200 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1781271905 RIRMHNXNFNXCKZ-SFHVURJKSA-N 397.428 -0.318 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1781400373 LGALDHLHLMLZMC-WMLDXEAASA-N 378.433 -0.091 30 20 GBED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CS(C)(=O)=O)[C@H]2C1 1784524935 UDNHQEJKDMYMEN-QMVSFRDZSA-N 392.543 -0.035 30 20 GBED NC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1785628772 BWQOJRAJTLVYAC-RZWALYHJSA-N 377.401 -0.803 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1 1788554609 JJVRGHDAKQZHTC-JURCDPSOSA-N 392.456 -0.585 30 20 GBED CNC(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)ON=C(C)C)[C@H]2C1 1789952963 YOEBWJAAQCPAAW-QPSCCSFWSA-N 382.461 -0.097 30 20 GBED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1793258602 PFRMCKFDXJNSEA-MIFYACCESA-N 380.408 -0.259 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(O)cn1)C2 1793346508 DJSIVXVWGNOHSG-ZTENYAIWSA-N 387.436 -0.042 30 20 GBED C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795407891 FUCMFEHQSZUUCS-FQUUOJAGSA-N 383.470 -0.440 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1 1795441001 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MCKNYLLVQAGJOD-WFASDCNBSA-N 394.515 -0.804 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1)CCO2 1840581299 SPOMYIJVEBKJJJ-SUMWQHHRSA-N 382.438 -0.574 30 20 GBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NS(=O)(=O)CC)C1 1841580524 RNUDMRJKUVZLNS-UONOGXRCSA-N 385.486 -0.444 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)CC[C@H](N)C(N)=O)C1 1842944708 MBAQMZDJOHFYKA-ZDUSSCGKSA-N 378.477 -0.936 30 20 GBED C/N=C(/NCCS(=O)(=O)N1CCSCC1)N[C@@H]1CCN(C2CC2)C1 262805329 SKYVROOIPDHGHY-CYBMUJFWSA-N 375.564 -0.233 30 20 GBED C=CCS(=O)(=O)CCNC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 273138685 WITGETAFAIBLCX-LLVKDONJSA-N 392.503 -0.579 30 20 GBED N#CCNC(=O)CNC(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 377030891 ILDFBHIVKAXEDT-UHFFFAOYSA-N 379.442 -0.268 30 20 GBED Cn1cc(N2CC[C@@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)cn1 377951925 WCBDTNLAOVPSAU-CQSZACIVSA-N 388.453 -0.035 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCSC[C@H]3CO)n2)cc1 440673799 QGBDCBYQNDSTKK-CQSZACIVSA-N 386.437 0.073 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(S(=O)(=O)C3CC3)CC2)CC1 528614993 QHNWRVSVMOTKEA-KRWDZBQOSA-N 397.545 -0.211 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)nn1CCC#N 546088496 RNVYNDHMMOCTFC-UHFFFAOYSA-N 386.391 0.322 30 20 GBED COCCN(CCOC)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 568252304 OAOXHDGKWRFBSK-UHFFFAOYSA-N 391.471 -0.228 30 20 GBED CCn1ncnc1CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 573459039 PDQNZPCVSLAXFV-NSHDSACASA-N 398.470 -0.033 30 20 GBED N#CCNC(=O)CNC(=O)NCCNC(=O)c1ccc(Br)cn1 595706261 XXSWXSRTBLSGEL-UHFFFAOYSA-N 383.206 -0.487 30 20 GBED CC(C)[C@@H](C#N)N1CCN([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 599181664 PYKJSJDVDWIDME-CHWSQXEVSA-N 376.461 -0.597 30 20 GBED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(CCO)CCOCCO 600114697 ABXXBKPWBYSMSG-UHFFFAOYSA-N 375.429 -0.020 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2C[C@H](C(N)=O)C2)cc1 600762115 CYEVQRBIRMGNOQ-DCAQKATOSA-N 386.455 -0.581 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccc(C(=O)O)cc2)CC1 736076143 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381.454 -0.151 30 20 GBED C[C@@]1(CO)CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@]1(C)CO 863000094 RQUGAKBKUFWKNR-CALCHBBNSA-N 381.454 -0.436 30 20 GBED C#CC[C@H](CCOC)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 863786226 VNTHPZUDNVIKSG-GXTWGEPZSA-N 381.454 -0.003 30 20 GBED CCN1CCN(CC(=O)[C@H](C#N)C(=O)NCc2ccc(OC)cc2)C(=O)C1=O 917038341 MHTCHKZFHDMLSV-HNNXBMFYSA-N 386.408 -0.289 30 20 GBED C#CCN1CCC(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCO[C@H]3CC)C2)CC1 969618480 CLIRNHNOKNJYQO-BDXSIMOUSA-N 377.485 -0.165 30 20 GBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 1025676743 LZVPDQFFLLOODY-WCXIOVBPSA-N 389.452 -0.742 30 20 GBED CO[C@@H]1CN(c2ncccc2C#N)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1042979137 LZWBUBHGHYOWBN-LVQVYYBASA-N 387.440 -0.091 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1057733338 JREOXWSCWPUNAW-IECFSIQFSA-N 396.484 -0.044 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 1111870760 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397.501 -0.347 30 20 GBED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)CC1 1539775713 OYJQFGDTVXMSSP-JTQLQIEISA-N 376.870 -0.033 30 20 GBED C#CCNC(=O)[C@@H](C)N1CCC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1573285772 NHLYFFJZHZCNPH-GFCCVEGCSA-N 384.444 -0.226 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(C(=O)C2(Cc3cnn[nH]3)CCC2)CCO1 1575012734 GPDLNLVFWJEXEZ-HOCLYGCPSA-N 389.456 -0.101 30 20 GBED CC#CCN(Cc1cnn[nH]1)c1nnc(CC)n1C[C@@]1(O)CCS(=O)(=O)C1 1575122468 YFZAFEUBIHXTLO-INIZCTEOSA-N 393.473 -0.462 30 20 GBED COCCN(C)CCN1C[C@@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)CC1=O 1579791069 OAAALMKEUBEOLM-NSHDSACASA-N 386.420 -0.881 30 20 GBED Cn1c(=O)[nH]c(N2CC[C@H](Oc3ccc(-c4nn[nH]n4)cn3)C2)c(C#N)c1=O 1581746824 NPRKHXCNHJFSMA-JTQLQIEISA-N 381.356 -0.822 30 20 GBED N#Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cn3)C[C@H]2O)c[nH]1 1581865476 KHTONRLXOYGUPM-ZIAGYGMSSA-N 379.384 -0.169 30 20 GBED C#CCNC(=O)[C@H](C)N1CCC[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588353042 DTOWDSZRQYYTOZ-QWHCGFSZSA-N 384.444 -0.226 30 20 GBED N#CCSCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O 1592679615 WFAVTMQMENCJHR-CMPLNLGQSA-N 390.429 -0.857 30 20 GBED N#CCSCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[nH]n3)nn2)C1 1592679703 ZXKDUIHDGQJPMO-HNNXBMFYSA-N 389.445 -0.639 30 20 GBED COC(=O)[C@@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C[C@H]1C(=O)O 1598810449 KUQZCGZCFCFPMD-ZIAGYGMSSA-N 394.405 -0.195 30 20 GBED C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccsc1-c1nn[nH]n1 1602720301 TXBLERYRGUSMGV-SECBINFHSA-N 387.468 -0.261 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3cc(C)ncc3-c3nn[nH]n3)C[C@H]2O)cn1 1602740068 XODOBRNNGCHDJU-NVXWUHKLSA-N 390.407 -0.074 30 20 GBED C=CCCOCC(=O)NC[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)CCO1 1602844187 LIOFSVKBFLZIJM-CYBMUJFWSA-N 388.432 -0.121 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1CCC[C@H](C(=O)O)C1=O 1604815379 RGNSVPXKSMCJDZ-OLZOCXBDSA-N 386.412 -0.291 30 20 GBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN(CCC#N)CC1 1648963339 WGCRDKWJDCNFQF-CYBMUJFWSA-N 382.490 -0.238 30 20 GBED CC(C)N(C)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782741522 ZBPCESCDMDZOLR-DNVCBOLYSA-N 379.457 -0.072 30 20 GBED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 1788601730 USMBOXYDXWSULC-ZXVINEMTSA-N 389.460 -0.130 30 20 GBED CCc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)no1 1788988794 MYEKXCMLSUOJQH-WHOFXGATSA-N 375.381 -0.082 30 20 GBED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)NC(=O)OCC)C3)C1 1792441059 IKQNTYOIEWIRAD-HLPPOEQASA-N 381.429 -0.393 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)[C@@H](C)CC)C2 1792484841 WXFNKXIUHJAPNK-GOTYEFTJSA-N 393.484 -0.159 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1O)C2 1797712096 QMHQBBLNWMPDBQ-NEBZKDRISA-N 390.440 -0.042 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2 1799391894 SZUHZEGUCOTRBN-XPCVCDNBSA-N 389.474 -0.579 30 20 GBED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O 1801528744 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IWIXYVJWQDVKNY-QGZVFWFLSA-N 378.385 0.000 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C)C2)C1 1839224019 LPRDRMHITAIZIM-YJBOKZPZSA-N 384.477 -0.195 30 20 GBED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839238024 PCJFCBVZNVERQE-MRXNPFEDSA-N 399.398 -0.054 30 20 GBED CN(CC(=O)N1CCCC12CN(C(=O)c1cccc(C#N)c1)C2)C(=O)C(=O)O 1845810081 CEMWEGXMIJABQC-UHFFFAOYSA-N 384.392 -0.082 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2ccccc2OC)CC1 274483508 CTKNUODHGGPHHO-UHFFFAOYSA-N 386.452 -0.291 30 20 GBED C[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C(N)=O)O1 277281934 SHRSILUGWYUSFR-KCXAZCMYSA-N 385.424 -0.057 30 20 GBED CCn1c(=O)/c(=C/c2ccnn2C)s/c1=C(\C#N)C(=O)NC[C@@H]1CCCO1 298306869 NLPCUYDRJVRHFR-VLAQDIPGSA-N 387.465 -0.539 30 20 GBED C[C@H](/N=C(/O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)c1ncnn1C 329924577 JEROTLNBMOJTTG-QWHCGFSZSA-N 386.478 -0.084 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2C[C@@H](O)[C@H](C)C2)c1C#N 349530797 ZEIYLODOPUGGDN-BXKDBHETSA-N 391.475 -0.636 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 568306967 JFTFFRLIJAAYGI-JYJNAYRXSA-N 380.489 -0.213 30 20 GBED C[C@H]1CCCN(CCNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 570065571 ZSPCEZCOKQWJFH-ZDUSSCGKSA-N 375.477 0.103 30 20 GBED C=CCSCCNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 572252067 IIUCVIUCHLFFMZ-OAHLLOKOSA-N 398.529 -0.587 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCCN1CCCS1(=O)=O 611577667 KWLNAURCYCOSBA-UHFFFAOYSA-N 383.478 -0.137 30 20 GBED Cn1c(=O)c2cc(C(=O)O[C@@H](C(N)=O)c3ccc(C#N)cc3)cnc2n(C)c1=O 746943303 UBZCSQHRBSXGQU-CQSZACIVSA-N 393.359 -0.113 30 20 GBED CN(C)C(=O)Cn1cc(C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)nn1 750420382 GAPWUBPESOKNGE-UHFFFAOYSA-N 376.398 -0.502 30 20 GBED Cc1nc2c(s1)C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCC2 771890298 FUVPUIJBAVTGCP-UHFFFAOYSA-N 383.455 -0.132 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(F)c(S(C)(=O)=O)c2)CC1 786084050 YLXPCQYTCWRIRL-UHFFFAOYSA-N 381.429 -0.264 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 787778644 PXFBVVPOPZREDB-NSHDSACASA-N 398.345 -0.239 30 20 GBED C#CCCS(=O)(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O 810779210 CVMLAFBDMJXODL-KRWDZBQOSA-N 393.421 -0.069 30 20 GBED C[C@H](CC(=O)N1CC(S(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 837151858 JHVPGVPDTNTYPS-SNVBAGLBSA-N 385.467 -0.241 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccc(O)nc2)C[C@@H]1O 964502619 AMQFTYGNNGDCPG-KRXQYRFLSA-N 375.425 -0.001 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc(OC)nc2)C1 970290508 FVGVHZWPCYZYQA-XGUBFFRZSA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)[C@@H]1C 988312236 YEFDDXXYQWGEAW-KBXIAJHMSA-N 392.456 -0.033 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2ncc[nH]2)C1 990938843 FWXSWYYCOCMDHZ-KBXIAJHMSA-N 385.428 -0.297 30 20 GBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C[C@@H]2CC(=O)NC2=O)c1 1003981771 RDCPGSBEUYLRDG-MIGQKNRLSA-N 380.404 -0.023 30 20 GBED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 1093056031 FMJGOCLGOHUGQQ-ZRJCITRHSA-N 378.458 -0.098 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)nn1 1118178668 SZOMQCAIRGWAKZ-CVEARBPZSA-N 387.444 -0.072 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 1118676878 SOVOIUSHPLKSCV-ZFWWWQNUSA-N 380.422 -0.757 30 20 GBED CN1CCC(N(C)CCN(C)C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1118925308 ZAZIHVGGPUNIHT-SFHVURJKSA-N 390.532 -0.330 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 1261461208 CZVXIXNEILBOMA-IBGZPJMESA-N 386.408 -0.025 30 20 GBED CN(C)S(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1 1298101912 OGJGXWDATOYTQH-LBPRGKRZSA-N 392.445 -0.645 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2ccccc2N2CCCC2)c(=O)n(C)c1=O 1319404425 VDOIXKSIDOKIBY-UHFFFAOYSA-N 391.453 -0.003 30 20 GBED C#CCNC(=O)C1CCN(C(=O)NC2CCN(S(=O)(=O)CC)CC2)CC1 1321311108 XZDVWHDAFHVCOJ-UHFFFAOYSA-N 384.502 -0.029 30 20 GBED CCO[C@H](C)c1noc(CN2CCN(C(=O)NCC(=O)NCC#N)CC2)n1 1325034571 UVBLEZVXBONQRM-GFCCVEGCSA-N 379.421 -0.366 30 20 GBED CCOC(=O)C[C@@H]1CCCN1C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1326598277 XAYKTYIJHKMYNQ-SUQMRRJOSA-N 392.412 -0.427 30 20 GBED C[C@H]1CN(CCCNC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCCO1 1330001639 GBENVRNPZOKWQC-RDJZCZTQSA-N 377.489 -0.198 30 20 GBED CCN1C(=O)[C@@H]2CN(C(=O)C(=O)NCc3ccc(C#N)c(F)c3)CCN2C1=O 1331741376 NAKJUTGFGBLWBJ-AWEZNQCLSA-N 387.371 -0.192 30 20 GBED CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1342101563 WBUNGKFALHCPTE-TZFAWSOVSA-N 391.428 -0.902 30 20 GBED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)NCC2CCC(C#N)CC2)CC1 1350580252 UCOVSBBNRDPYHV-UHFFFAOYSA-N 385.490 -0.617 30 20 GBED C#CCCCC(=O)N1CCN(CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1573284642 IKLBBKHRLMZHEG-UHFFFAOYSA-N 384.444 -0.128 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C1 1573285166 DTWCQYHBRKSKSR-LALPHHSUSA-N 383.412 -0.094 30 20 GBED C=CCCn1cc(C(=O)N2CC(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 1573341730 POKXWYIUNPYMLJ-UHFFFAOYSA-N 382.388 -0.383 30 20 GBED C#CCNC(=O)[C@@H](C)N1CC(NC(=O)c2ccc(OCc3cnn[nH]3)cc2)C1 1574985447 CQQCBMVQEBGSDU-CYBMUJFWSA-N 382.424 -0.064 30 20 GBED C#CCNC(=O)[C@@H](C)N(C)C[C@@H](C)NC(=O)C1CCN(Cc2cnn[nH]2)CC1 1574986181 UNUQJNJXECYJMO-HUUCEWRRSA-N 389.504 -0.409 30 20 GBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2cnn[nH]2)nc1 1575004930 PYGCXXWKQDVRMO-TZMCWYRMSA-N 386.412 -0.546 30 20 GBED CCN(CCC#N)C(=O)CN[C@H]1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1577909427 QJWZWRCGBVQHSN-JOCQHMNTSA-N 385.432 -0.193 30 20 GBED CS(=O)(=O)N1CC[C@H](NC(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 1591680256 KVOYZZOTUCMRNI-KGLIPLIRSA-N 389.441 -0.301 30 20 GBED N#CCSCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O 1592679616 WFAVTMQMENCJHR-JQWIXIFHSA-N 390.429 -0.857 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)CCO1 1602887021 ZLEDDUUEONWNCK-BZPMIXESSA-N 386.416 -0.431 30 20 GBED C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ccc(C#N)cc1C(=O)O 1604620724 BTCKNNZADFUTSK-LLVKDONJSA-N 380.426 -0.003 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)C[C@@]3(O)CCOC3)CC2)cc1 1642226259 DMZNIHFXEMSERV-AEFFLSMTSA-N 395.481 -0.233 30 20 GBED CS(=O)(=O)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CC1 1750191824 VPXYSOVOCULCEY-NWDGAFQWSA-N 394.457 -0.465 30 20 GBED C=CCNC(=O)NC(=O)CN1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1753654056 NHTMRRYEKAQOOH-BARDWOONSA-N 380.445 -0.617 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779529269 YSBWOBQJCWORBT-QLJPJBMISA-N 380.426 -0.063 30 20 GBED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1nc[nH]n1 1796029922 VJLPKXYIWNMGPE-GGJNZBAQSA-N 392.416 -0.463 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1 1801435575 RIFPTZIEMZRXBZ-XPCVCDNBSA-N 380.474 -0.257 30 20 GBED CN[C@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2)C(=O)O 1815086498 MJRPHHFYNNLRFG-WCBMZHEXSA-N 394.409 -0.794 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](N)CN)CC1 1827581133 IWQHVUFACYUNMJ-QVOWHETESA-N 391.516 -0.250 30 20 GBED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1831209140 IMPLAHWALZHTER-LJQANCHMSA-N 386.408 -0.334 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1831424441 JGTJFMAMIDAVFF-RDTXWAMCSA-N 383.445 -0.878 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1831499424 SJKIURZASIVXMK-BBRMVZONSA-N 388.490 -0.935 30 20 GBED C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1831597141 FCYQMOWGMJIQKD-AUUYWEPGSA-N 377.441 -0.632 30 20 GBED N#CCCC(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)CC1 1834607507 UNBMKFYUWWCOFK-AWEZNQCLSA-N 375.473 -0.002 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1834760697 QXRGHVGPJYOKDU-SFHVURJKSA-N 380.445 -0.921 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1834765696 SOSSVQWDIPXCGI-SFHVURJKSA-N 391.380 -0.213 30 20 GBED C[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840025174 YNAJAOFOODECGM-UZLBHIALSA-N 394.468 -0.478 30 20 GBED Cn1ncnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813171 IZZCGHCRKWUIGV-GOSISDBHSA-N 388.428 -0.421 30 20 GBED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(N)=O)CCO2 1840922298 NEMISSVFRFTRBI-SFHVURJKSA-N 380.445 -0.695 30 20 GBED CS(=O)(=O)CC(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1842778902 BZCKVYUXVNREKH-ZUZCKIMGSA-N 387.458 -0.237 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2 1844236174 WIIMTPNNNPCDCF-GFCCVEGCSA-N 389.389 -0.512 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@H]2NC(=O)NC2=O)cc1 1848128913 KUZWPJWBTRXHNM-ILXRZTDVSA-N 381.392 -0.028 30 20 GBED CN(C)C(=O)CN/C(=N/C[C@@H]1CCOC1)N1CCN(c2cnn(C)c2)C(=O)C1 262318055 RFMYSORWQBKJES-AWEZNQCLSA-N 391.476 -0.861 30 20 GBED N#Cc1cc(F)ccc1S(=O)(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 269632578 ACBIXDPDHVCHTA-LBPRGKRZSA-N 389.430 -0.331 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(C(=O)[C@H](C)O)CC1 270926916 VCMCZZQWSJTJGE-LBPRGKRZSA-N 377.372 -0.172 30 20 GBED C=CCc1ccc(OC[C@@H](O)CN2CCN(S(N)(=O)=O)CC2)c(OC)c1 299111492 YXEWREBUQISOOD-HNNXBMFYSA-N 385.486 -0.016 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccnc(N3CCOCC3)c2)C1=O 299476974 FVHZOISUDHJQPH-UHFFFAOYSA-N 387.396 -0.489 30 20 GBED Cc1ncccc1NS(=O)(=O)CCCS(=O)(=O)N1CC(O)(CC#N)C1 349466571 ZXVNFZWBRIGYEJ-UHFFFAOYSA-N 388.471 -0.188 30 20 GBED C[C@@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc(C#N)ccn1 349488382 ZLFINAUXLGFLEN-LLVKDONJSA-N 376.460 -0.273 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@](C)(C(N)=O)C1 349490910 HGQUKURXUAXEDM-AAEUAGOBSA-N 380.492 -0.923 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCC2(CCOCC2)C1 349506741 VBICUUDQXNKQIP-UHFFFAOYSA-N 379.504 -0.006 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(C#N)cn2)C[C@H]1O 349519953 IUFICZPAFBLMKU-WCQYABFASA-N 388.471 -0.273 30 20 GBED N#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@H](C1)C2(F)F 349522616 KMBVJZSEPXVKEH-PHIMTYICSA-N 382.414 -0.418 30 20 GBED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C[C@@H](C)O1 408329390 MQIAYCOXDYNXMH-BETUJISGSA-N 381.458 -0.002 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 418827686 LXKYVXBFCUIXNX-UXLLHSPISA-N 378.473 -0.493 30 20 GBED N#CCCn1ccc(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)n1 438322888 VFPQMMJMODOJGJ-UHFFFAOYSA-N 375.433 -0.195 30 20 GBED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H](O)COc1ccc(C#N)cc1 514317400 JGZYGVDLDOBRLV-CVEARBPZSA-N 395.481 -0.077 30 20 GBED COC(=O)C(C)(C)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 517757606 UFMOCNKXHYIVAG-UHFFFAOYSA-N 375.428 -0.282 30 20 GBED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@](C)(O)CN1CCOCC1 546708896 KUNRSPOZRJQAFU-GOSISDBHSA-N 376.413 -0.295 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@H]3COCCO3)C2=O)cc1 560240831 IQIZTBVDEATJOE-JKSUJKDBSA-N 386.408 -0.693 30 20 GBED COC(=O)[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 564739745 HGFPIRBZHXTPTN-UWVGGRQHSA-N 375.428 -0.283 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 591932727 CLYTZCNWAPZKGF-OAHLLOKOSA-N 397.413 -0.067 30 20 GBED CC(C)(CC#N)CNC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)O)CC2=O)CC1 593778813 RMBZWMDVKXJHOY-LBPRGKRZSA-N 378.429 -0.033 30 20 GBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(C#N)cc1 611952380 YLDSTHHCSFFHSJ-AWEZNQCLSA-N 385.467 -0.377 30 20 GBED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccc(F)cc2)c1=O 727162953 CSXYSNANWPYCKH-UHFFFAOYSA-N 392.437 -0.375 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H]2CCN(c3cnn(C)c3)C2=O)C1=O 732336004 QLJYUESUHJIPFN-NSHDSACASA-N 375.341 -0.955 30 20 GBED O=C(COc1ccc(-c2nn[nH]n2)cc1)NCCN/C(O)=C1\N=CC=CC1=O 737919062 JGMKSGPPLAJMGW-BMRADRMJSA-N 383.368 -0.112 30 20 GBED COC(=O)[C@H](OC(=O)Cn1cc(S(N)(=O)=O)cn1)c1ccc(C#N)cc1 740238970 ZBDREGHPZSKJAS-CQSZACIVSA-N 378.366 -0.140 30 20 GBED C[C@H](CC(=O)Nc1ccn(CC(N)=O)n1)/N=C1/NS(=O)(=O)c2ccccc21 742571643 USZRYIPWYDLKLK-SNVBAGLBSA-N 390.425 -0.176 30 20 GBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCNc1ccc(C#N)cn1 755155204 QFDAHNOJOIQBGF-NSHDSACASA-N 377.430 -0.418 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)NCc2ccccc2OC)CC1 761033160 STJYDMOYHKUWNA-OAHLLOKOSA-N 394.497 -0.215 30 20 GBED C=CCNC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762936320 IALNNWPAHMSUIY-WDEREUQCSA-N 383.426 -0.314 30 20 GBED C#C[C@H](Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[C@H]1CCCO1 804621992 NEZIRYPMVDBLLF-BRZDOZMNSA-N 375.385 -0.970 30 20 GBED N#Cc1cnn(C(=O)[C@@H]2CCC[C@@H]2C(=O)n2ncc(-c3nn[nH]n3)c2N)c1N 826387536 AGTFLTGDTVWVFJ-BDAKNGLRSA-N 381.360 -0.307 30 20 GBED O=C(N[C@@H]1CCCN(O)C1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 848138729 SZHWQKKETMKLLD-CQSZACIVSA-N 383.426 -0.183 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@](C)(O)CC1 848958984 QOYKPQSWFZHKKJ-OAHLLOKOSA-N 391.515 -0.268 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1C(=O)OCC1(C)C 848964424 QOXZHHPCRORWNU-QWRGUYRKSA-N 381.476 -0.579 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)CN2CCC(C)CC2)CC1 895816240 WIYATAJTOJIFOQ-MRXNPFEDSA-N 385.534 -0.098 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(NC(=O)COC)CC2)c1 915705418 JBPBZXSVRGYZKU-UHFFFAOYSA-N 393.465 -0.035 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1C 951789725 JRRPLMRIDIIVMI-NGFQHRJXSA-N 377.441 -0.017 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn3c2OCCC3)C1 1024755147 UENZFGZUHLMJTF-NGFQHRJXSA-N 376.413 -0.442 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(CC(=O)N3CCNC(=O)C3)C[C@H]21 1084672569 ANHXNWJJVDAIOJ-FPCVCCKLSA-N 376.457 -0.931 30 20 GBED CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 1093005889 ZHDONXJSWKEVJU-MCIONIFRSA-N 378.458 -0.144 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COC1CCN(C)CC1 1109900203 DBMGRSBHCKMCHR-LMSBXDPUSA-N 376.501 -0.043 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCN(CC(F)(F)F)C1=O 1116043323 JYNQXEIEHAOSDB-QZOQKNACSA-N 389.334 -0.025 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 1158084865 QAOVLHDYKIFRDM-TZMCWYRMSA-N 397.478 -0.097 30 20 GBED N#Cc1ccc(CS(=O)(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1248644308 LUNVEKSWIZFIAJ-CQSZACIVSA-N 385.467 -0.329 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC(C(=O)N2CCOCC2)CC1)[C@H]1CCCO1 1261154662 QAWYSRDUYIUPBH-JKSUJKDBSA-N 377.441 -0.619 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 1323746944 CLKSUROCHTXFNO-UHFFFAOYSA-N 393.509 -0.081 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)NC)s1)[C@@H]1CCCO1 1325472951 DFKVSXKJQSYLRT-NEPJUHHUSA-N 385.467 -0.431 30 20 GBED C=C(C)Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@](C)(O)COC 1342949299 AKFRFWDKHJQGFE-GOSISDBHSA-N 380.493 -0.034 30 20 GBED CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)NCCNc1ncccc1C#N 1345022656 PZZGJNYFSJSEJD-LBPRGKRZSA-N 381.458 -0.237 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 1347567454 MJGAIPMRGJJYRY-OLZOCXBDSA-N 378.429 -0.373 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2CC[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 1352676521 MGSHSXXJBTVGRA-HRCADAONSA-N 391.501 -0.135 30 20 GBED C#CCCCn1c([C@H]2COCCN2)nnc1N1CCN(CCOC)C(=O)C1 1574583249 WZWLWSBYKLEBQK-OAHLLOKOSA-N 376.461 -0.353 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(C(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575111479 FGHRYSRMNXCELI-IKGGRYGDSA-N 388.472 -0.065 30 20 GBED CCO[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1CNCC(=O)NCc1cnn[nH]1 1576586381 PGYJRWJQGYGVMD-GDBMZVCRSA-N 390.488 -0.077 30 20 GBED Cc1c(-c2nn[nH]n2)c(=O)n(CCOc2cccc(C#N)c2)c(=O)n1CCO 1580521906 CKXNNVFSMYEKCX-UHFFFAOYSA-N 383.368 -0.559 30 20 GBED N#C[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 1581856771 CJENWSZAKABXTH-NSHDSACASA-N 375.414 -0.093 30 20 GBED N#Cc1cn(C2CN(C(=O)c3cc(-c4nn[nH]n4)ccc3F)C2)c(=O)nc1O 1581876709 DEIIXHXHVFHRNN-UHFFFAOYSA-N 382.315 -0.163 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 1588351000 CCNFVSLGCDGHGR-QPSCCSFWSA-N 393.455 -0.020 30 20 GBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 1588353649 ZXXUNZYPNOKURA-GFCCVEGCSA-N 382.428 -0.519 30 20 GBED C#CCNC(=O)CN1CC2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 1588354677 VMHDYLDQYQGBJY-UHFFFAOYSA-N 382.428 -0.518 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 1588363454 HAKPHCYNWXTLTC-UHFFFAOYSA-N 397.439 -0.329 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nn[nH]n1 1588718383 KWGDOHLKNGOGIK-UPJWGTAASA-N 388.432 -0.497 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2O)cn1 1602736813 HGSDPTCBMVCDGZ-KGLIPLIRSA-N 391.395 -0.597 30 20 GBED N#C[C@]12CN(CC(=O)Nc3sccc3-c3nn[nH]n3)C[C@H]1CS(=O)(=O)C2 1606354660 ODPJKYGYUSPZFD-LKFCYVNXSA-N 393.454 -0.263 30 20 GBED CC[S@](=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1617443301 LHYUPUWBGFWWFH-SRGMZFCMSA-N 380.474 -0.102 30 20 GBED Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)on1 1693543467 RIJUWYLEHKVDHN-WCQYABFASA-N 395.445 -0.038 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778846521 LCAJJZGBLHKXFU-SCLBCKFNSA-N 392.460 -0.260 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1780432373 QRIVAINFOVMWOI-IFXJQAMLSA-N 390.440 -0.090 30 20 GBED COC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1781400537 SJPARKOTKVGHMB-DYVFJYSZSA-N 384.433 -0.027 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784335874 MFSAOBIYXFTPMC-YJBOKZPZSA-N 375.429 -0.464 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NC(C)=O)[C@H]2C1 1784523233 AICPLBICIVBQBC-HJWJTTGWSA-N 393.484 -0.081 30 20 GBED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1 1785153411 DNTRIUNSWXHGGN-XQLPTFJDSA-N 390.440 -0.632 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCCCC1 1795294227 MWUSVHRVTUTAFG-CCWDJLKJSA-N 377.441 -0.460 30 20 GBED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCNC2=N)cc1 1795581206 ZHZRLOLHOUNGFT-ALXJQNPVSA-N 396.451 -0.399 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)N1CCOCC1 1798490021 JSCANZXQFQEEFB-JJTUDDRGSA-N 395.500 -0.152 30 20 GBED CC(C)c1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)no1 1800773816 UNRNDWFDUOWLQK-DPIQGUFMSA-N 390.396 -0.587 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1803567537 QERKMNWSJKWYSE-MXASKKJJSA-N 375.473 -0.036 30 20 GBED N#CCCC(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804187815 SYLXEFCPACSEJI-KDOFPFPSSA-N 398.423 -0.057 30 20 GBED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@H](O)CN2)CC1 1831673202 IIEABSSQGZFHLL-JYJNAYRXSA-N 377.441 -0.583 30 20 GBED NC[C@H](N)C(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccccc3)CC2)CC1 1834518343 UJKLSAASBVKMQW-FQEVSTJZSA-N 397.523 -0.104 30 20 GBED CNC(=O)CC(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834599788 XUZQLCYSDZOOMT-UHFFFAOYSA-N 375.473 -0.002 30 20 GBED C[C@H](CC(N)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338664 PRTDVENROMKNGJ-FZKQIMNGSA-N 378.429 -0.742 30 20 GBED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN)CCO3)C2)c1 1835551370 YYFZWIKJHUOIMG-LJQANCHMSA-N 388.424 -0.404 30 20 GBED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1836903798 QLXULCBJZGVKJK-AWEZNQCLSA-N 393.396 -0.819 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)NC(=O)OCC)CCO2 1837211022 DLNKHZLWJLUWLN-WMLDXEAASA-N 385.417 -0.917 30 20 GBED Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)o1 1840044298 SUHUMVHBFMWFPC-LJQANCHMSA-N 390.392 -0.325 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840194163 CKPIMRQHKJWHFZ-NHYWBVRUSA-N 392.499 -0.421 30 20 GBED CNS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 276058187 FRLDZUQEIBCEEJ-UHFFFAOYSA-N 376.341 -0.236 30 20 GBED C=CCN(C(=O)/C(=N/OCC(=O)OCC)c1cc[nH]n1)[C@@H]1CCS(=O)(=O)C1 276504804 ACTZGYSRDZXCAM-WGBIJJAVSA-N 398.441 -0.105 30 20 GBED CCn1c(=O)/c(=C/c2c(C)cnn2C)s/c1=C(/C#N)C(=O)NCCOC 285175956 NOTZHPRSWXACBR-KGFOCYEDSA-N 375.454 -0.763 30 20 GBED CC(C)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1=O 286966546 KLHKENAWXWKQIU-OAHLLOKOSA-N 384.440 -0.273 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 288325145 SCEBJGIURYSJTM-OAHLLOKOSA-N 388.472 -0.283 30 20 GBED C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCS(=O)(=O)C1 290434693 NHTMCXQRTRCJRB-LBPRGKRZSA-N 385.467 -0.270 30 20 GBED C#CCOc1ccc(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 296911222 HRCXKLWFIIDKJS-UHFFFAOYSA-N 381.392 -0.238 30 20 GBED CC[C@@H](/N=C(/O)N1CCN(CC(=O)NC(C)C)CC1)C(=O)N1CCOCC1 331258501 FQHNCNOKIMVJEI-OAHLLOKOSA-N 383.493 -0.320 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)CN3CCCC3=O)CC2)cc1 333194425 WSJZTGJNKWIDIN-MRXNPFEDSA-N 392.481 -0.152 30 20 GBED C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1nc(C)n(C)n1 348384363 MDZCFNPJIGGXAX-NEPJUHHUSA-N 393.491 -0.482 30 20 GBED CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1C(N)=O 349499696 FZKJTXZFTXNITQ-RISCZKNCSA-N 392.503 -0.732 30 20 GBED CN(CC(C)(C)O)S(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 349503644 PLCGJQWRPWNNSS-UHFFFAOYSA-N 393.491 -0.544 30 20 GBED COCC[C@H](CO)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 374187612 LXLYDHNUAQVTEK-GFCCVEGCSA-N 375.360 0.335 30 20 GBED N#Cc1cc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)ccc1Cl 424435852 GUUCHDWAAJLADQ-NSHDSACASA-N 385.785 -0.140 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)NCC)C2)CC1 514927710 LYKJSVPTVHFGIV-HNNXBMFYSA-N 386.518 -0.317 30 20 GBED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(N)=O 525778072 CLBOMFXJCPVBRY-UHFFFAOYSA-N 384.417 -0.022 30 20 GBED COCCN(CC(=O)NCC#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 533356782 XXDNYTBRHSNEJY-UHFFFAOYSA-N 386.412 -0.328 30 20 GBED CC(C)N1CCN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1=O 569934728 YSBJCKRPUIVWKS-UHFFFAOYSA-N 375.433 -0.666 30 20 GBED COCCN(CCO)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 583823389 VSNGHPPTUFEODB-UHFFFAOYSA-N 377.444 -0.882 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)NC1(C(N)=O)CCC1 594633765 HLRUZXTVQNLIBV-JTQLQIEISA-N 386.455 -0.437 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)C[C@]1(C)CO 595963454 SHVVYULLPCRJIZ-QWHCGFSZSA-N 379.504 -0.368 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 610425142 BLNDVEUTOQPRBO-AWEZNQCLSA-N 396.473 -0.916 30 20 GBED CNS(=O)(=O)[C@@H]1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1 749792790 OTKDSISCSPEMRI-OAHLLOKOSA-N 391.453 -0.097 30 20 GBED CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767678839 YKCCWPAXIHNJMN-VHSXEESVSA-N 382.398 -0.388 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2COc3ccc(OC)cc3C2)CC1 831556359 LYLJEZQVYKNBHU-HNNXBMFYSA-N 393.465 -0.142 30 20 GBED COC[C@](C)(CC(=O)O)NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 831573959 YZDJLIZOLNBVLA-KRWDZBQOSA-N 379.417 -0.027 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@](F)(C#N)C1 848958411 NKXHFZXKSYTYOL-ZDUSSCGKSA-N 376.435 -0.568 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NCC(=O)OC)cc1 858005531 PGXGHGGXECZEBR-NSHDSACASA-N 382.394 -0.567 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2COc3cc(F)ccc3C2)CC1 895801542 KLFISUCMPSMQOX-HNNXBMFYSA-N 396.444 -0.076 30 20 GBED CCNC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 918586879 OOFHRNWXLUXPLJ-UHFFFAOYSA-N 382.398 -0.119 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2OC)cc1 944337219 NLHZUJNRBHTQHE-YYIAUSFCSA-N 385.420 -0.344 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](OCC)[C@H](CNC(=O)c2cnnn2C)C1 983336374 XNYYOFZJBZMQPJ-LUYZLQTOSA-N 377.445 -0.001 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1C(=O)CNC1=O 996983357 PSERGXSBVPSZHN-MRLBHPIUSA-N 390.440 -0.233 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1O 1023942326 UTTJCPXWDQMGMP-CFAJVAMVSA-N 391.424 -0.410 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COc2c(C)occc2=O)C[C@H]1O 1025709742 YORSTIONGBGVMI-XOUADPBQSA-N 392.408 -0.394 30 20 GBED C#CCC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1043354418 XWRGUCXDFNANEW-ALYAQQCSSA-N 388.464 -0.081 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)Nc2c(C)n[nH]c2C)C[C@H]1O 1077699120 RIOQDGPFAIAWJF-TUVASFSCSA-N 377.445 -0.283 30 20 GBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCc1nncn1C 1111212157 LJNQTLVBUMAFLF-YJNKXOJESA-N 376.461 -0.256 30 20 GBED COc1ccc(CNC(=O)C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cc1C#N 1119482125 PCGQEOPKCIZVIA-UHFFFAOYSA-N 399.407 -0.274 30 20 GBED C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 1254130223 LOFJVRCLGZPEDT-GFCCVEGCSA-N 394.457 -0.622 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCc1ccc(C#N)c(Cl)c1 1261716977 WYMUMIQVYLJRJJ-QWHCGFSZSA-N 385.829 -0.244 30 20 GBED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN2C(=O)CNC2=O)cc1 1317956478 ZHKSAKBZPXOWSB-UYRXBGFRSA-N 393.425 -0.010 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)CN2CCCC2=O)cc1 1318146113 MWKYQHNEJAEDBV-HNNXBMFYSA-N 388.424 -0.360 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CN(C)CCN1C 1320045468 REWAEOQFYMRANL-HNNXBMFYSA-N 389.456 -0.116 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 1321608582 ZVSHFCSHPLNUAD-TZMCWYRMSA-N 384.458 -0.036 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCOC2(CCCC2)C1 1322696135 UBTBXROMXDOLKA-CCEZHUSRSA-N 376.413 -0.199 30 20 GBED CNS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1322935957 XKFSPQYXQKYBTC-UHFFFAOYSA-N 397.432 -0.989 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2nccnc2C)CC1 1325695052 AIBVIVCBNIHYAI-UHFFFAOYSA-N 381.458 -0.849 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)C1=O 1340885929 CQHQACOWBZTQCG-HNNXBMFYSA-N 398.419 -0.356 30 20 GBED N#Cc1ccc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)CCO2)[nH]1 1571153902 UYWRASJPGIGDRL-LLVKDONJSA-N 380.372 -0.508 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC[C@H](CCNCC(=O)NCc2cnn[nH]2)C1 1575013859 UYFJIZBQUXYLPB-HUUCEWRRSA-N 376.461 -0.323 30 20 GBED C=CCCO[C@H](C)C(=O)N1CCO[C@H](CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1588609071 UCNWHVQQIPNYAX-CHWSQXEVSA-N 388.432 -0.301 30 20 GBED C#Cc1cncc(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[nH]n4)nn3)C2)c1 1602743340 VMSQLBPYYPBSDO-AWEZNQCLSA-N 391.395 -0.014 30 20 GBED O=C(O)[C@@H]1[C@H](O)CCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1610733660 VXCXLRINRBRNJD-DOMZBBRYSA-N 395.437 -0.058 30 20 GBED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCS(C)(=O)=O 1730760137 OPSRJKXFSBDFEI-UHFFFAOYSA-N 398.489 -0.075 30 20 GBED COC(OC)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779099432 GNHMPFLXNQCXPY-INPMHVJESA-N 399.444 -0.036 30 20 GBED CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010325 KNMJUSTWLPRAJX-BDEJMISXSA-N 379.457 -0.038 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21 1790791515 ATMGQTDPHXCWRI-KKUMJFAQSA-N 383.470 -0.975 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)S)[C@H]2C1 1791261877 ICHUMVYQNIVDMJ-CUOUOBHDSA-N 389.474 -0.651 30 20 GBED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCN(C)CC2)C3)C1 1792441284 UDLXWTZJSLJWCK-IZZQQSIFSA-N 376.501 -0.210 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1793346779 MBTCVCNENOPMNX-QJZXKKCJSA-N 396.440 -0.770 30 20 GBED Cc1cnc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)cnn2c1 1797419843 XVTBHOBWHWVITC-FVCICTRLSA-N 397.391 -0.671 30 20 GBED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=S)NC 1797760115 XZHPDIJRUKEMRO-XOIINTDNSA-N 380.514 -0.137 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)ccc1F 1799531958 WUXIUICSYIVEAW-YQYWCBKUSA-N 376.340 -0.178 30 20 GBED C[C@H](Cc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800781207 OFTVJNOAVYBNON-BKEDOTJMSA-N 385.420 -0.062 30 20 GBED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2ccncc2=O)[nH]n1 1822205299 HJYXOBGTBAEQHI-CYBMUJFWSA-N 398.379 -0.253 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)CSCC(=O)O)sc2C1 1826119278 QZVVQSYGQFXLFS-MRVPVSSYSA-N 397.434 -0.039 30 20 GBED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1831183178 PWYWWHHYTQAAOF-KSSFIOAISA-N 380.445 -0.339 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(COC)CC3)C2)C1 1831387800 KXNKALTUEATPQM-OXQOHEQNSA-N 394.468 -0.092 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1831390950 AVEJKDPKCQVRBV-DNVCBOLYSA-N 388.424 -0.415 30 20 GBED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1)n1ccnn1 1839707404 SPXUDWLDRSKEFY-PBHICJAKSA-N 376.417 -0.401 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)OC)C2)C1 1840171362 CLYMTELTRHNQCM-KRWDZBQOSA-N 386.470 -0.075 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1844157476 OIFXYVBEFVLOJI-CYBMUJFWSA-N 395.460 -0.464 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)CNC(=O)N(C)C)C2 1845187249 LQPIHDXEZVGGJZ-UHFFFAOYSA-N 380.445 -0.030 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O 1848129697 HGAGDBONRIBVFX-AVGNSLFASA-N 390.444 -0.932 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)NCCN2CCCS2(=O)=O)c1 61598520 ZPMAWGOWZFJMME-UHFFFAOYSA-N 387.483 -0.084 30 20 GBED C/N=C(/NCc1cnn(C)c1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261847297 XMXVMDZWBROPDL-UHFFFAOYSA-N 381.462 -0.369 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)C1=O 265871328 ZJCWUELJXWOQIY-LBPRGKRZSA-N 398.375 -0.193 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3nn(C)c(=O)cc3C2)c1 266712536 QTQLEJQSSCLKJA-UHFFFAOYSA-N 386.433 -0.110 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 268710904 DQZJGOLLMOBQNT-IAQYHMDHSA-N 385.467 -0.082 30 20 GBED Cc1cc(S(=O)(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1C#N 278095867 WBTOFQDFZDFXPX-CYBMUJFWSA-N 385.467 -0.162 30 20 GBED CN(C)S(=O)(=O)C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)C(F)(F)F 286561180 KUKSIUNJOALEGE-QMMMGPOBSA-N 383.352 -0.810 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC)CNS(C)(=O)=O)cc1 295701540 VOMBWCLFDWMFOS-CYBMUJFWSA-N 387.483 -0.344 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@](COC)(C(=O)OC)C2)C1=O 297648282 AZEZNBFAIVVLFU-SCLBCKFNSA-N 381.429 -0.730 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)NCc1nnn(C(C)(C)C)n1 348338135 INGWGCLGDOMLOD-UHFFFAOYSA-N 393.495 -0.977 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)C1=O 372737652 GDULLBWCMLXBRK-HNNXBMFYSA-N 391.472 -0.410 30 20 GBED COc1cc(N2C[C@@H](C(=O)NCC(=O)NCC#N)CC2=O)cc(OC)c1OC 376199855 WEHLMSDWFPMFHL-NSHDSACASA-N 390.396 -0.179 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CSC[C@H]2C(=O)N2CCSCC2)CCO1 409584962 CTINUCVXQYYQTQ-RYUDHWBXSA-N 392.528 -0.594 30 20 GBED CNS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)CC1 412032351 HFHLGJGHCPVOQO-UHFFFAOYSA-N 379.442 -0.150 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCCO[C@H](CN)C3)C2=O)cc1 418912129 RBFIEZVCXSWGCQ-SJORKVTESA-N 399.451 -0.254 30 20 GBED C[C@H](C(=O)N1C[C@@H](O)[C@H](N(C)CC(=O)OC(C)(C)C)C1)n1cnc(C#N)n1 487664809 BGZNJYOJGDNTLV-JHJVBQTASA-N 378.433 -0.444 30 20 GBED COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)N(C)CCC#N)CC1 507513254 WLUWTJAEUIRZQI-CQSZACIVSA-N 375.495 -0.765 30 20 GBED N#Cc1ccccc1OC[C@@H](O)CNCCNS(=O)(=O)Cc1ccon1 600725439 BZEMEJPLKLIOJR-HNNXBMFYSA-N 380.426 -0.005 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)[C@H](C)Oc3ccccc32)CC1 728532754 IZAABIKRUMWSLN-HNNXBMFYSA-N 384.436 -0.306 30 20 GBED C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)nc1 728859794 GDZFEWIAPJWDCM-AWEZNQCLSA-N 397.478 -0.662 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 784926264 SFDKAEQBMUQYKM-IYBDPMFKSA-N 399.451 -0.058 30 20 GBED CC[C@](C)(C#N)C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 795346239 ORJPYAGJDLJOGR-GXTWGEPZSA-N 377.488 -0.413 30 20 GBED C#CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 808281305 CXIGHBJGJXZCLD-UHFFFAOYSA-N 375.428 -0.962 30 20 GBED COC[C@@](C)(CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)c1ccc(C#N)[nH]1 826148966 VLYPHEZWURJDDC-QGZVFWFLSA-N 397.399 -0.041 30 20 GBED N#C[C@@H]1CNC[C@H]1NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 843460074 LKMRNWHFEKLFDP-DGCLKSJQSA-N 380.426 -0.646 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N[C@H]1C(=O)OCC1(C)C 848964494 SVSKTXXHJHCQOR-NSHDSACASA-N 395.503 -0.189 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCCC12OCCO2 848964659 VLXMHSMCHLEPAF-STQMWFEESA-N 395.503 -0.187 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2nc(C)c(C)[nH]c2=O)[C@H](OC)C1 942417161 JYRNQFAWXYDEJZ-APIJFGDWSA-N 390.440 -0.067 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(=O)Nc2cc(C)on2)C[C@@H]1O 970707608 SXAYPMYKRVAYMC-NDBYEHHHSA-N 378.385 -0.799 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H]1C 989038348 CMRANGYAEOVBOL-KBXIAJHMSA-N 392.456 -0.033 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(c2ncccn2)[C@H]2CS(=O)(=O)C[C@H]21 1054788437 XYINASROLBBMIY-KBXIAJHMSA-N 378.454 -0.118 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(CCO)c3)CC2)cc1 1141413965 NVURWHJZJADDKA-UHFFFAOYSA-N 389.437 -0.106 30 20 GBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2CC[C@H](C(F)(F)F)O2)C1 1193912056 QECQSJAXDIZCAU-UMSGYPCISA-N 392.378 -0.322 30 20 GBED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 1253370619 XSYYMAWUKFVMOA-GFCCVEGCSA-N 382.446 -0.416 30 20 GBED CNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1299252894 YYFQRZXOYJPJFK-RYUDHWBXSA-N 382.446 -0.955 30 20 GBED CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1326265243 ZEONUWXTKXUZDJ-MSOLQXFVSA-N 381.429 -0.318 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1329099487 PVFQYNRLIMRABF-UHFFFAOYSA-N 397.435 -0.254 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCCC4(C3)OCCO4)CC2)cn1 1330753448 ULVKSXKBFAUPMI-UHFFFAOYSA-N 385.424 -0.033 30 20 GBED O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cccc(C#CCO)c1 1331909410 GGRYGPRJFBASPG-SJORKVTESA-N 378.450 -0.742 30 20 GBED CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3CCN(CCC#N)CC3)CCN2C1=O 1332061544 ZJCDUGRNTWANEF-INIZCTEOSA-N 390.488 -0.351 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)CC1 1332384109 NLALXSCFFQNZSW-UHFFFAOYSA-N 379.364 -0.486 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2Cc2ccccc2CC)CC1 1334137125 VIBFJXBISIUWCV-UHFFFAOYSA-N 389.485 -0.127 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCC[C@H]3C3OCCO3)CC2)cn1 1356404275 SLPOKJRAYNVQQD-INIZCTEOSA-N 385.424 -0.034 30 20 GBED C#CCN1CCN(c2nnc(-c3c[nH]c4ccnn4c3=O)n2CCOC)CC1 1358141240 BNNPXZKQFVVOKB-UHFFFAOYSA-N 382.428 -0.317 30 20 GBED C#CCNC(=O)CC(=O)NCCC[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1573285420 HTCXJWNZNZBGSI-NSHDSACASA-N 386.416 -0.651 30 20 GBED C#CCCCn1c([C@@H]2COCCN2)nnc1N1CCN(CCOC)C(=O)C1 1574583248 WZWLWSBYKLEBQK-HNNXBMFYSA-N 376.461 -0.353 30 20 GBED C#CCOCCC(=O)N(C)C1CCN([C@@H](C)C(=O)NCc2cnn[nH]2)CC1 1575012449 AVVCGDOQBRZXMF-AWEZNQCLSA-N 376.461 -0.228 30 20 GBED O=C(C#CC1CC1)N1CC[C@H](N2C(=O)O[C@H]3CN(CCc4cnn[nH]4)C[C@H]32)C1 1577743543 ZOCZPUZLWDPKOV-BBWFWOEESA-N 384.440 -0.134 30 20 GBED N#Cc1cn(CCC(=O)N2Cc3cccc(-c4nn[nH]n4)c3C2)c(=O)nc1O 1581876965 MYKWRYKHZDQYBB-UHFFFAOYSA-N 378.352 -0.067 30 20 GBED C#CCNC(=O)[C@@H](C)N1CCC[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588353040 DTOWDSZRQYYTOZ-CHWSQXEVSA-N 384.444 -0.226 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588665572 MVGNSGRQKZMPLG-BIMULSAOSA-N 375.389 -0.913 30 20 GBED C#CC[C@H](NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O)C(=O)O 1602693616 ZPMRRZYZYYUCSY-LBPRGKRZSA-N 387.435 -0.289 30 20 GBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O 1602729476 TYNVWSKYKJRNEI-CVEARBPZSA-N 388.403 -0.293 30 20 GBED C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)O)C1 1602901436 KSJIJXGEHAOUSZ-DGCLKSJQSA-N 389.416 -0.747 30 20 GBED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1779073961 KXFJITDVYQBRKY-WMLDXEAASA-N 381.385 -0.775 30 20 GBED C[C@@H](Nc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779331887 RWIZLDZNWWRSBM-AUUYWEPGSA-N 386.408 -0.200 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782011269 SMHAOWIHTIFUQC-QMTMVMCOSA-N 376.409 -0.373 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782955142 WYVNAVHUEOBDRM-SUMWQHHRSA-N 383.470 -0.057 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)c3ccco3)C[C@@H]21 1791073215 RZDVEFAUWKXJDU-GWIFVGGISA-N 376.365 -0.619 30 20 GBED Cc1nc(F)ccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1798317070 ONWAPPSKFXUILJ-DPIQGUFMSA-N 375.356 -0.180 30 20 GBED O=C(C#CC1CC1)N1CCCC2(CCN(C(=O)CN(CCO)CCO)CC2)C1 1805890720 XYDDDBWMAZGSQR-UHFFFAOYSA-N 391.512 -0.082 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)C)C2)C1 1829765189 LNBUHTDFGBVBAP-VOFKWLDRSA-N 379.457 -0.043 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1838808508 APLUNUWWCNARKA-SFHVURJKSA-N 377.397 -0.350 30 20 GBED Cn1nc2c(c1C(=O)N1CCO[C@@]3(COCCN(C(=O)CC#N)C3)C1)CCC2 1839582181 MYWBMULSBNKYMM-LJQANCHMSA-N 387.440 -0.108 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839876968 FERDBRDEQZQGKL-UGSOOPFHSA-N 378.429 -0.729 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCO3)C2)C1 1840040725 VMWUUXGEGXGBBI-KSSFIOAISA-N 380.397 -0.900 30 20 GBED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1845770817 MBRJQIZYDYXXIB-ZDUSSCGKSA-N 384.392 -0.509 30 20 GBED C/N=C(/NCc1ccc(S(N)(=O)=O)s1)N1CCS(=O)(=O)C(C)(C)C1 261982003 PAPRGSSUIIBDFO-UHFFFAOYSA-N 394.544 -0.020 30 20 GBED N#Cc1ccccc1OCC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 267031617 ALUDGJLEZLAGJJ-HUUCEWRRSA-N 379.438 -0.761 30 20 GBED Cc1cc(C(=O)NC[C@H]2CCCN(CC#N)C2)nc2c1c(=O)n(C)c(=O)n2C 267228527 VOMIAHUBLHEEIC-CYBMUJFWSA-N 384.440 -0.094 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N(C)Cc1nc(CCOC)no1)c1cc[nH]n1 278716835 RBBXIKDSGPLPPI-RCCKNPSSSA-N 394.388 -0.076 30 20 GBED C[C@H](NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccc(C#N)cc1 283506679 BFNSBDVJFJYVHO-ZDUSSCGKSA-N 396.411 -0.907 30 20 GBED C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1cc(C#N)ccn1 349471237 UJTDMQNVWPJQOL-DGCLKSJQSA-N 388.471 -0.130 30 20 GBED CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](CO)C1 349523217 LJUZUPSKWRJKES-OCCSQVGLSA-N 379.504 -0.368 30 20 GBED Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC(=O)NCC#N)cc1C 367817445 YKYCXKLPTYNLOD-ZFWWWQNUSA-N 394.453 -0.817 30 20 GBED CCC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 441584448 JEAIJIRMWRJKBL-AWEZNQCLSA-N 395.423 0.513 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F 537488555 XHZFGRBDQRNYDJ-UHFFFAOYSA-N 398.416 -0.278 30 20 GBED CN(CC(=O)N1CCc2nc(N)ncc2C1)S(=O)(=O)c1ccc(C#N)cc1 567451325 CHBFTBDTZLGHPE-UHFFFAOYSA-N 386.437 0.136 30 20 GBED C=CCOC[C@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)C(=O)OC 577392365 BLDHNDKBJQOIPB-HNNXBMFYSA-N 398.437 -0.145 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)C[C@H]1N(C)C 577867432 ZQSOJOVHFVDIMZ-CHWSQXEVSA-N 380.536 -0.190 30 20 GBED CN(C)S(=O)(=O)NCCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 596614573 TZEGMHYOCMBYJL-UHFFFAOYSA-N 395.489 -0.383 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(C(=O)N(C)C)C(F)(F)F)C1=O 622897486 ULQRFVZAZLOLHD-ZDUSSCGKSA-N 378.307 -0.511 30 20 GBED C#CCNC(=O)CN1CCN(C[C@H](O)COc2ccc(NC(C)=O)cc2)CC1 728570568 FKXXHNZXQTUALL-SFHVURJKSA-N 388.468 -0.248 30 20 GBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 735415891 ALBASIYTSAJJGO-SNVBAGLBSA-N 384.443 -0.375 30 20 GBED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C#N)o2)c1=O 758066711 BWZRVURBGOWLIS-UHFFFAOYSA-N 394.412 -0.630 30 20 GBED COC[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(N)=O 760085308 VVXQSVKEFIQXKH-CYBMUJFWSA-N 396.469 -0.098 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN4C(=O)OC[C@H]4C3)n2)cc1 764294873 PTBNPJGRAIMVMU-CQSZACIVSA-N 395.379 -0.200 30 20 GBED COC(=O)c1cncc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 788623604 XGEMTXIDOHWYKP-BUHFOSPRSA-N 380.382 -0.327 30 20 GBED CCOC(=O)c1cnn(C)c1NC(=O)COC(=O)[C@@H](C)n1cnc(C#N)n1 798746039 NUQIEHIJKCSIMX-SECBINFHSA-N 375.345 -0.197 30 20 GBED Cn1[nH]cc2c(=NC(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)ccnc1-2 815718590 GGZSKBLWDDFHSS-UHFFFAOYSA-N 390.407 -0.104 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@]23C(=O)Nc2ccccc23)CC1 828757843 BZCAXKYATXIDIC-KSSFIOAISA-N 388.449 -0.492 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)O)C1=O 833375790 GABIGMOHXSAPOV-LBPRGKRZSA-N 393.327 -0.249 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 875193027 LFHYZJLXZXWMSF-OAHLLOKOSA-N 380.489 -0.410 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)[C@H](OC)C1 942091760 LDXMRWRGSQYEMI-YIYPIFLZSA-N 392.460 -0.025 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc3[nH]c(O)nc3c2)C1 968523875 CQJKFSAZFZRTIA-ZZVYKPCYSA-N 387.396 -0.444 30 20 GBED C[C@@H]1CCO[C@@H]1C(=O)N1CCN(C(=O)C#CC2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 995445541 NPQWXZXEDUMMSX-UTXMOHQDSA-N 380.466 -0.339 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)Nc2cc(C)nn2C)C[C@H]1O 1077699131 RSLVZAAMCJJPRY-TUVASFSCSA-N 377.445 -0.581 30 20 GBED CN(C)S(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1C#N 1093053233 URQXHODXJNUXLG-MCIONIFRSA-N 378.458 -0.425 30 20 GBED C=CCN1CC[C@@H](N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CCNC(=O)COC)C1=O 1110624932 XAMYHFDIAQYLGP-LVQVYYBASA-N 378.473 -0.353 30 20 GBED C=C(C)CN(CC)C(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 1117871522 ILDYNKIJBLXQPR-UHFFFAOYSA-N 375.491 -0.079 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)n1 1325175798 GYNDHQVDTKYJOP-UHFFFAOYSA-N 375.473 -0.220 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCCN(c3nc(C)ns3)CC2)nn1 1326719409 VREBZXODWGGROL-UHFFFAOYSA-N 390.473 -0.021 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCC1(CC(=O)NC)CCCCC1 1328478428 YJYOBFDXVINZSB-UHFFFAOYSA-N 387.502 -0.094 30 20 GBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1341315599 BFMKRQVFSADQPJ-LBPRGKRZSA-N 382.490 -0.072 30 20 GBED CN1CCN(C[C@@H](NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)c2ccccc2)CC1 1345839978 KWZNDDQAAPDVJO-NQIIRXRSSA-N 399.495 -0.032 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H](Cc2nccn2C)C1 1347198596 CLRSAIZDHOHLJZ-CQSZACIVSA-N 382.486 -0.082 30 20 GBED C=CCn1c([C@H]2CCCCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1355928027 BETLNYCOWRRBSA-QWHCGFSZSA-N 387.444 -0.658 30 20 GBED C[C@H](C#N)C(=O)N1CC[C@H](N2CCN(c3ccc(-c4nn[nH]n4)nn3)CC2)C1 1573565559 RZFJKEMAZNPDQW-OLZOCXBDSA-N 382.432 -0.461 30 20 GBED N#Cc1nccnc1N1CC[C@@H](NC(=O)c2ccc(-c3cnn[nH]3)cn2)[C@@H](O)C1 1577719738 YMCWKMBGGSLYCN-WBMJQRKESA-N 391.395 -0.102 30 20 GBED N#Cc1ccc(C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)[nH]1 1581867453 IVEGLSMOVRWFGL-LLVKDONJSA-N 380.372 -0.508 30 20 GBED C#CCNC(=O)CN[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588354776 ZAROAGUXFNBRRW-DOMZBBRYSA-N 384.444 -0.083 30 20 GBED CCOC(=O)C1CCN(C(=O)CN(C)c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1590758137 RKSHSYNYEXAKNV-UHFFFAOYSA-N 399.415 -0.234 30 20 GBED N#Cc1ccc(CNC(=O)C(=O)NCCNc2ncccc2-c2nn[nH]n2)cc1 1592692883 LQRUXTSGDDXASU-UHFFFAOYSA-N 391.395 -0.022 30 20 GBED C[C@@]1(CNC(=O)CSCC#N)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 1603802437 LRGMOCBZTVBMDL-OAHLLOKOSA-N 389.445 -0.375 30 20 GBED Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)N[C@@H]1CCCN(O)C1=O 1609454606 OMNAHTIWLUFESZ-CYBMUJFWSA-N 399.415 -0.045 30 20 GBED CC(C)NC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1692563831 OFDNMRPMVIGTIP-CHWSQXEVSA-N 396.473 -0.566 30 20 GBED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)N2CCOCC2)C1 1779419047 YHAWZUKTTCXPGU-AYOQOUSVSA-N 381.473 -0.273 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)c1 1780597254 NZJQESMPKCVKTJ-IBGZPJMESA-N 381.392 -0.122 30 20 GBED C[C@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1781247028 KEAKQOBVVRRAJZ-SENNIOROSA-N 376.413 -0.337 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782679041 GKIBPKJFIHGNJA-BZNIZROVSA-N 382.442 -0.291 30 20 GBED Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)c(=O)[nH]c1C 1794310140 OIBXEYQZGMTPLS-BTTYYORXSA-N 385.424 -0.106 30 20 GBED C[C@@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797784417 DJYSCORJAUHUNK-XLMAVXFVSA-N 391.468 -0.591 30 20 GBED CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1799374187 YQODBGMCJUHNGN-YXPYIKCWSA-N 385.424 -0.290 30 20 GBED C#CC(=O)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806700849 MISLGEWCXUJWHE-UHFFFAOYSA-N 381.498 -0.419 30 20 GBED CC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064747 PDZNITNAMHNDHM-SFHVURJKSA-N 380.445 -0.481 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnn3)C2)C1 1831396916 SXSQNQGOUGOHPZ-KXBFYZLASA-N 388.424 -0.415 30 20 GBED CC(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835101751 FLSISXHGSLAWRT-OAQYLSRUSA-N 399.447 -0.369 30 20 GBED Cc1noc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)n1 1840159737 MFYDAFJWOTYQQP-BZNIZROVSA-N 384.458 -0.305 30 20 GBED CN(CCCc1n[nH]c(N)c1C#N)CC(=O)NCC(C)(C)N1CCOCC1 153312230 BZGAJADMXRATHU-UHFFFAOYSA-N 377.493 -0.045 30 20 GBED C#CCNc1nc(N[C@@H](C)C(=O)NCCF)nc(N[C@H](C)C(=O)NCCF)n1 286415864 KTYCRODBGKSTHG-PHIMTYICSA-N 398.418 -0.311 30 20 GBED CN1C[C@H](/N=C(/O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CCC1=O 329337073 MHVBTDYIKUODSR-KGLIPLIRSA-N 388.490 -0.352 30 20 GBED COc1cnc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)nc1 348472206 MHPZNOFXOPANHX-UHFFFAOYSA-N 389.459 -0.208 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(C#N)cn2)C[C@@H]1O 349519954 IUFICZPAFBLMKU-YPMHNXCESA-N 388.471 -0.273 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC2)cs1 410495400 XAZLRPUPCXNNJW-NSHDSACASA-N 399.498 -0.098 30 20 GBED CN(C)S(=O)(=O)N[C@@H](CNC(=O)CNc1ccc(C#N)cn1)C1CCCC1 457862745 ISCKDUIKJZJWHQ-HNNXBMFYSA-N 394.501 0.436 30 20 GBED COC(=O)CN(CC#N)C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 469222692 OLJYLHURFWWMBU-LLVKDONJSA-N 394.409 -0.788 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)n1 492228274 VBLKXQAGBXVXGA-CYBMUJFWSA-N 394.457 -0.238 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(c3nc(N)ns3)CC2)CC1 538149097 YPFGWGGHSJOUSE-AWEZNQCLSA-N 392.533 -0.065 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCn2cccnc2=O)c1 575132810 ODUVXUIJLLRBPV-UHFFFAOYSA-N 375.410 -0.400 30 20 GBED C=CCNC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 578643413 YQNQJOTUKJXXTA-UHFFFAOYSA-N 386.455 -0.589 30 20 GBED Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)ncc1C#N 594296062 YYMXECGOGRCJDM-UHFFFAOYSA-N 397.482 -0.305 30 20 GBED CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 594637843 AGZFBVATPOOCSA-JLNYLFASSA-N 391.515 -0.512 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3ccncc3)CC2)c1=O 732469372 GWJQYNPRMVLSIP-UHFFFAOYSA-N 398.467 -0.286 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1N(C)C 769583622 FAVOCVCDZROLPP-UHFFFAOYSA-N 379.442 -0.148 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 782340584 YRRJZJMOQWWREO-KYOSRNDESA-N 398.412 -0.369 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)C1=O 787119805 YKMYOSDUYNENRL-DLBZAZTESA-N 392.500 -0.009 30 20 GBED C#CCOCCNC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O 823856219 MYNYFNAOZVTIRR-CQSZACIVSA-N 397.395 -0.162 30 20 GBED C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)N=c1nc(C)[nH]n1C 848960380 FKCDRYMAQGZEOC-UHFFFAOYSA-N 377.492 -0.649 30 20 GBED COC(=O)C[C@@H](O)CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 863016369 QHFLGGNDCMTLIU-LLVKDONJSA-N 383.426 -0.455 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2nnn(C)n2)[C@H](OC)C1 945293338 OVAMPZHCELAWDH-DGAVXFQQSA-N 378.433 -0.463 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 977192575 YBTSDMWVZWJXJM-UARVYYKOSA-N 377.441 -0.427 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1OCC 982622645 RKOUWOFMYOQOFF-LVQVYYBASA-N 392.460 -0.366 30 20 GBED C#CCO[C@H](C)C(=O)N1CCN(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1073573159 YIPHFOOAYMCKEV-MATIZBOZSA-N 387.480 -0.197 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)N2CCNC(=O)C2)[C@@H]1CC 1087732410 UVERRVAVSIQIBC-QXSJWSMHSA-N 378.473 -0.495 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn2nc(C)cc2[nH]c1=O 1109839008 XCRMFUBJOLZBHZ-SNPRPXQTSA-N 382.424 -0.584 30 20 GBED N#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 1129271633 KYMPINLUEGAZJJ-TUVASFSCSA-N 383.412 -0.344 30 20 GBED C[C@@H]1CN(C[C@H]2CCCN2C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H](C)O1 1142372029 ZZVDYJBTPPKVEJ-UMVBOHGHSA-N 375.429 -0.079 30 20 GBED O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCS(=O)(=O)NCC1CCC1 1318842775 LLDSSNRMWOOIRD-NXVVXOECSA-N 384.458 -0.261 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)O1 1319798746 NKCKZUGPILLPGR-VKLZKGDYSA-N 379.417 -0.552 30 20 GBED C#CCCCCNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1322231279 USXUPUQVAMQKEM-UHFFFAOYSA-N 386.456 -0.449 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(NC(N)=O)CC3)CC2)o1 1324244093 HHKKQKDGMKFIDO-UHFFFAOYSA-N 375.433 -0.364 30 20 GBED CC#CCN(C)C(=O)C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 1325093359 NRJDMQHIFAOPNS-CQSZACIVSA-N 383.404 -0.008 30 20 GBED C=CCn1c([C@H]2SCCNC2=O)nnc1N(C)CC(=O)N1CCOCC1 1340235832 VQLYDAWJHTVGDU-CYBMUJFWSA-N 380.474 -0.337 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CCN1C1CC1 1352356168 MNJSRRUUKOGNNE-IRXDYDNUSA-N 375.473 -0.445 30 20 GBED CNC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1517596460 XSTDQAYZWAHVMW-OAHLLOKOSA-N 383.460 -0.009 30 20 GBED C[C@@H](C(=O)N1CCCC1)N1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1573627469 BWEUVGAIRJPPHL-LBPRGKRZSA-N 382.432 -0.339 30 20 GBED CN(C[C@H](O)CN(C)c1cnc(-c2nn[nH]n2)cn1)C(=O)c1ccc(C#N)[nH]1 1579028357 NBQWWRZSFDDSJN-LLVKDONJSA-N 382.388 -0.574 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CC(Oc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CCCO1 1588328004 WVCPBVYZCCMQDA-HZPDHXFCSA-N 396.407 -0.247 30 20 GBED C=CCn1cc(C(=O)NC[C@H](O)CNCc2ccc(-c3nn[nH]n3)cc2)nn1 1588712643 ATBXIKUVKWGHHZ-CQSZACIVSA-N 383.416 -0.475 30 20 GBED C=C[C@H](CO)NC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O 1588727730 HQXULBCLFNFSJG-DGCLKSJQSA-N 385.384 -0.265 30 20 GBED C=CCCO[C@@H](C)C(=O)NC[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCO1 1602841470 YGQRTMYOPPXRLS-QWHCGFSZSA-N 388.432 -0.041 30 20 GBED O=C(O)CN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1608749205 RZQHGECGQBGQTK-UHFFFAOYSA-N 380.426 -0.656 30 20 GBED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCOC2)CCOC1 1728817382 LYHUTQUYZFICHZ-BMGDILEWSA-N 393.444 -0.190 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779086952 GRWQYDFJVVUKKC-HHXXYDBFSA-N 397.472 -0.942 30 20 GBED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1779315549 DHFASPIYDRQPCF-RDTXWAMCSA-N 378.429 -0.729 30 20 GBED C=CC[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1783108433 QYDCYUUZXNUFRO-FZKQIMNGSA-N 378.429 -0.420 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1783563634 VNBDZCFMYZYYCM-LJQANCHMSA-N 382.376 -0.134 30 20 GBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)n4[nH]cnc4n3)[C@H]2C1 1786978677 JXYSBTFNYKXPHS-YDHLFZDLSA-N 398.423 -0.576 30 20 GBED COc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791073965 HAEJTUSNGXPGRH-QEJZJMRPSA-N 387.392 -0.229 30 20 GBED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc(C)c(O)nc3=O)C[C@@H]21 1791279595 PIIRJJCSCISEQQ-KKUMJFAQSA-N 390.440 -0.187 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(C)C)C2)C1 1831388300 PZSDUAWFNOOYDE-VQIMIIECSA-N 382.457 -0.094 30 20 GBED C=CCC(=O)N1CCC(N2CCC(NC(=O)CN3C(=O)CNC3=O)CC2)CC1 1833678837 DZWODUWAUUJTSI-UHFFFAOYSA-N 391.472 -0.314 30 20 GBED C[C@@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1835527139 ADRCOMQOCOVBFH-NDXPISSFSA-N 392.456 -0.250 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1837403230 PNCJBMNGQMAOEB-OXQOHEQNSA-N 395.500 -0.423 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1839229108 ZGUMNHGPAIXDNF-HNAYVOBHSA-N 396.488 -0.195 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C\C(=O)NCC=C)C2)C1 1840839767 FOGXNZLUHWCEQS-AQWUKCDYSA-N 389.452 -0.285 30 20 GBED C#CCCN1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)nc(O)n3C)CC1 264149906 ZTWTWPJYQIXXLG-UHFFFAOYSA-N 377.426 -0.636 30 20 GBED N#C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCO1 269457515 RFHUZQBGSZUBET-OAHLLOKOSA-N 378.454 -0.256 30 20 GBED C#CCN(Cc1ccccc1)C(=O)CNS(=O)(=O)[C@H]1CCS(=O)(=O)C1 290933534 PEDYTIMVHYQPIC-HNNXBMFYSA-N 384.479 -0.245 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCCOC)C2CCN(C)CC2)C1=O 291326815 VUSXFDXKHJXGGD-UHFFFAOYSA-N 380.445 -0.078 30 20 GBED CCN1CCN(C(=O)/C(C#N)=c2/s/c(=C/c3ccccn3)c(=O)n2C)CC1 298662406 HCCAYZBBJNEDET-KATGWBAQSA-N 383.477 -0.491 30 20 GBED COCc1nc2n(n1)C[C@H](/N=C(/O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1)CC2 330199174 UZKVDSWCEZGGCX-VXGBXAGGSA-N 386.478 -0.381 30 20 GBED CN(c1cccnn1)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@](F)(C#N)C1 349485381 AJIZJONZCPZJHK-CYBMUJFWSA-N 391.450 -0.100 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](n2cccn2)C1 349490197 GNFXLWHMRSKUEE-CYBMUJFWSA-N 375.476 -0.365 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@]2(CCOC2)C1 349496358 MVCOLMXCEATSLC-ZIAGYGMSSA-N 379.504 -0.008 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)c2cnc3nc(O)nc(O)c3c2)CCN1C1CC1 378059729 ONRQAMSVEDTICH-SNVBAGLBSA-N 376.398 -0.203 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C1=O 467665917 KQIILBOECGXVME-CYBMUJFWSA-N 388.490 -0.934 30 20 GBED COc1ncncc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472888543 OYRQDGVVGZFDNO-UHFFFAOYSA-N 384.400 -0.314 30 20 GBED Cc1nc(S(=O)(=O)NCCC(=O)NC[C@@H]2CCCN(CC#N)C2)cn1C 479897554 DIDZCEYCKJMTAD-AWEZNQCLSA-N 382.490 -0.251 30 20 GBED CN(CC(=O)N[C@H]1COC[C@H]1n1ccnn1)S(=O)(=O)c1ccc(C#N)cc1 499728890 FCOXQAKNDJGTBF-LSDHHAIUSA-N 390.425 -0.473 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CC(CC(N)=O)C2)cc1 565231539 PNPKCJKNFZCOTM-UHFFFAOYSA-N 386.455 -0.673 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C 575831555 RAKAFWOOFWZJGM-ZIAGYGMSSA-N 395.551 -0.037 30 20 GBED Cn1cc(C#N)c(=O)n(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1=O 590709559 CXYUSXWWILEBFE-UHFFFAOYSA-N 377.307 -0.548 30 20 GBED CN(C)CCN(CC(=O)N(C)C)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 598187044 OUHGTNRPROZMGL-UHFFFAOYSA-N 394.497 -0.049 30 20 GBED N#Cc1ccc(NC(=O)CN2C(=O)N[C@@H](CC(=O)N3CCOCC3)C2=O)cc1 603561806 DITUMAZTOAGCFT-AWEZNQCLSA-N 385.380 -0.334 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccc(CC#N)c1 619495259 GNFKIDPBAUGOQB-HNNXBMFYSA-N 395.437 -0.179 30 20 GBED C=CCn1c([C@@H]2CCO[C@@H]2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 647370580 ZHNLPDWGWJMZGX-ZIAGYGMSSA-N 387.448 -0.308 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)Oc2ccccc2-c2nn[nH]n2)CC1 735380180 DOYQNWGUJACOKJ-CQSZACIVSA-N 397.439 -0.472 30 20 GBED O=C(O)[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 738547776 VIZBZYACUBARMM-LBPRGKRZSA-N 381.410 -0.183 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)CC1CC1 765708068 PODMQTMJSIXJED-UHFFFAOYSA-N 385.467 -0.334 30 20 GBED CCOC(=O)CN(C)C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 782606260 VZKPIANAIRXMTO-UHFFFAOYSA-N 397.409 -0.599 30 20 GBED CN(C)S(=O)(=O)CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 812196441 QIJIGBJTDHOHOO-VXGBXAGGSA-N 389.478 -0.064 30 20 GBED C#CCN(CC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 855494347 HSMDBLIZARCPSD-UHFFFAOYSA-N 398.441 -0.805 30 20 GBED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccco2)c1=O 916200088 TXZFBNVUVSICHX-UHFFFAOYSA-N 389.433 -0.489 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)CN3C(=O)CCC3=O)C[C@@H]21 960974189 DKOLXICFRYTTKR-CBBWQLFWSA-N 391.424 -0.835 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]21 972393866 KROBZYLIYYPHAA-OLMMMNRUSA-N 391.468 -0.114 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 982154627 QQHIAGXQMXWADG-YJNKXOJESA-N 392.456 -0.127 30 20 GBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2nnc(O)nc2O)c1 998813011 IOFZZHILJZTVOZ-AGIUHOORSA-N 380.364 -0.165 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)nn1 1002758006 CWKIHOOMMYUESQ-NKQKNBIVSA-N 388.428 -0.641 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1O 1023939747 OGLLKHBLJGGPOV-NHIYQJMISA-N 380.445 -0.929 30 20 GBED N#Cc1cncc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C2)n1 1044660129 BYKIVDQUYJICCD-JJAZEVLHSA-N 383.412 -0.684 30 20 GBED N#Cc1cncc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@@H]2Cc3cncn3C(=O)N2)n1 1055487993 MDBNAOKKZFYCIL-RZFFKMDDSA-N 378.396 -0.047 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@]1(C)CNC(=O)C1 1109545824 OHAMNQCZUUBLQA-QZNHQWIBSA-N 375.473 -0.004 30 20 GBED C[C@@H](NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CSCC#N)C(=O)N(C)C 1110304235 TWGCPLIYKPKHFP-SYQHCUMBSA-N 381.502 -0.442 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1110832756 NRXSFOMZSNOMAM-SUJAAXHWSA-N 378.473 -0.177 30 20 GBED C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1 1117888274 HQEJPAPPHDCVKL-DNVCBOLYSA-N 393.463 -0.004 30 20 GBED C=C(C)Cn1c(Cn2cc(CCO)nn2)nnc1N1CCN2CCOC[C@@H]2C1 1122394824 IFSUUJCDCZABHL-INIZCTEOSA-N 388.476 -0.450 30 20 GBED CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NS(=O)(=O)N1CCO[C@@H](C#N)C1)C2 1257433155 ZOTUEDGUHOXORB-KKUMJFAQSA-N 385.490 -0.871 30 20 GBED CC(=O)N1CCN(c2ccccc2CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1257617185 CDNXULJCYZLTRJ-KRWDZBQOSA-N 399.451 -0.278 30 20 GBED C[C@@H]1C[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C(=O)N1c1cnn(C)c1 1322236760 RZNSBAUNBGWNQG-QPVORFQCSA-N 386.412 -0.053 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)CCO1 1324148298 LCHWJHDEBSZJAL-HNNXBMFYSA-N 392.437 -0.406 30 20 GBED CS(=O)(=O)CCn1cccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)c1=O 1324394004 BEVSTWNCZJQJCR-OAHLLOKOSA-N 384.389 -0.704 30 20 GBED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCOCCO)cc1 1327296542 IPDBBTPOEXITOX-GFCCVEGCSA-N 383.426 -0.222 30 20 GBED C=CCN(C(=O)C(=O)NC1CCN(S(=O)(=O)CC)CC1)[C@H](C)COC 1327868705 CHDUKVMLCJNXSS-CYBMUJFWSA-N 375.491 -0.034 30 20 GBED CO[C@]1(C)C[C@@H](NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1(C)C 1328818542 YBFUAKHSAUUAPG-GALBDEDHSA-N 378.429 -0.051 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H](N)CCO3)C2)CCN1C1CC1 1329830036 AYQGNURKPUWGFE-CWLKWCNXSA-N 389.500 -0.070 30 20 GBED CC(C)CN1C[C@H]2CN(C(=O)C(=O)N3CCN(CCC#N)CC3)CCN2C1=O 1332061555 ZJCDUGRNTWANEF-MRXNPFEDSA-N 390.488 -0.351 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1C[C@H](C)O[C@@H](COC)C1 1339511445 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IPHYOBBQXMUTPZ-CVEARBPZSA-N 376.380 -0.383 30 20 GBED C=CCn1cc(C(=O)N2C[C@H](C)[C@@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)C2)nn1 1588711332 OPXIOSRDYKJUGY-QWRGUYRKSA-N 381.404 -0.571 30 20 GBED Cc1nc(-c2nn[nH]n2)c(C#N)n1CC(=O)NC[C@H]1CN(CC(C)C)CCO1 1592334963 JJWFGYABSYWUGD-ZDUSSCGKSA-N 387.448 -0.284 30 20 GBED N#CCSCC(=O)NC[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCO1 1592679415 PTWBCLPEJIEDCH-SNVBAGLBSA-N 375.418 -0.765 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCOC1)C2 1792491206 BINVXAZBADAFIF-PRARKCSGSA-N 377.441 -0.529 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1793088259 YKUBGEVARGLSIG-HLPPOEQASA-N 395.456 -0.515 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cccnc3n1)C2 1793345191 YMKOMNFKTFMUOJ-MPTYRVRUSA-N 397.435 -0.029 30 20 GBED C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CC(=O)NC1=O)C2 1793579033 FGAZTAXCIXYVOQ-FQUUOJAGSA-N 378.429 -0.233 30 20 GBED C[C@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797811277 JSCGNMLVIKPILB-SYQRYTFTSA-N 382.461 -0.300 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3[nH]ncc13)C2 1800775655 AHVCRSXUTJPOJH-KSPBDQMDSA-N 382.376 -0.146 30 20 GBED COC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1801203532 QHBJQKZDVAPUOB-UADDQELFSA-N 392.412 -0.356 30 20 GBED N#CCC(=O)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1806280786 OOBSPGBWYMPKLW-CXAGYDPISA-N 384.396 -0.447 30 20 GBED N#CC1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CC[C@H](N)C(N)=O)CC3)CC1 1814468529 YPXVUHYKVYWTIM-ZJUUUORDSA-N 390.469 -0.048 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]3F)C2)C1 1829762256 AXUTXNILHFVKDG-NUCSDZMGSA-N 395.431 -0.341 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CC)CCO2 1830527072 ZPMIVUYOLJESHV-DNVCBOLYSA-N 398.456 -0.277 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1831487970 UEUPBUSBNPBWKV-CXAGYDPISA-N 387.502 -0.515 30 20 GBED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1831690774 PVVQGVFRMATJIR-SFHVURJKSA-N 380.445 -0.481 30 20 GBED C[C@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)C(F)(F)F 1832154963 LSHHNHRCRASCER-UONOGXRCSA-N 379.335 -0.330 30 20 GBED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1833429025 VTUIUOLUVKRCOQ-OALUTQOASA-N 388.512 -0.306 30 20 GBED C[C@@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1835523707 VEGRMVQFLSLKGX-KXBFYZLASA-N 395.504 -0.681 30 20 GBED Cc1ccn(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1838822180 DFOKFZZXPOJPMM-LJQANCHMSA-N 389.408 -0.508 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)CCC1 1840816509 XIDWLBWEAUGWSU-LIRRHRJNSA-N 390.440 -0.727 30 20 GBED O=C1NC(=O)[C@@H](CC(=O)N2CCCC23CN(C(=O)C/N=C/c2ccco2)C3)N1 1841960341 SKPQYZWYHRTZLV-KMDAILJESA-N 387.396 -0.500 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)C[C@H](NC)C(=O)O)C1 1842948724 FTVICCUIRBKDPV-SZZPACECSA-N 378.429 -0.889 30 20 GBED C/N=C(/NC[C@H](C)N1CCN(C)CC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 261673880 CKISPABXVRDTLO-LIRRHRJNSA-N 393.536 -0.492 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 270926914 VCMCZZQWSJTJGE-GFCCVEGCSA-N 377.372 -0.172 30 20 GBED N#Cc1ccc(Cl)c(S(=O)(=O)N2CCN(CCS(N)(=O)=O)CC2)c1 274860415 JOYSCKZJMYNODN-UHFFFAOYSA-N 392.890 -0.194 30 20 GBED Cc1nc(S(=O)(=O)NC/C(O)=N/CCC(=O)N2CCN(C)CC2)cn1C 329094729 BCMCQRFZZFLGKJ-UHFFFAOYSA-N 386.478 -0.873 30 20 GBED C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 348365428 BEKNQNPFNUFMHW-MNOVXSKESA-N 379.464 -0.411 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C[C@@H]1C 349511245 RITIKEWRHBTMHY-LBPRGKRZSA-N 380.492 -0.908 30 20 GBED N#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cccnc2)CC1 349520742 KUPZZZLNYZYEEH-UHFFFAOYSA-N 387.487 -0.316 30 20 GBED C[C@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N 349523240 NUCGVSBFPGGYPB-NSHDSACASA-N 380.492 -0.910 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 374455572 BAGBRLSHIBNRPU-HNNXBMFYSA-N 387.506 -0.668 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCN2CCCO)cc1 452355014 WXEQRPCJSJWXAQ-HNNXBMFYSA-N 380.470 -0.200 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(N)=O 531370682 VDVQHYUZIPZZIV-UHFFFAOYSA-N 399.457 -0.866 30 20 GBED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1ccc(C#N)nc1 544709962 MJEXLMOHYYYRCQ-UHFFFAOYSA-N 381.458 -0.636 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1=O 551472120 NRHCHGJHTLSMSA-CVEARBPZSA-N 379.505 -0.769 30 20 GBED N#Cc1cccc(CCNC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)c1 574299590 VOIZANDNJRCVKQ-UHFFFAOYSA-N 377.470 -0.270 30 20 GBED CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)NC(C)(C)C#N)c1 579140976 VGHZQJGXOXIXFV-SNVBAGLBSA-N 388.471 -0.320 30 20 GBED C=CCCn1cc(C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)nn1 581007279 KVHITRWYRRRCAE-OAHLLOKOSA-N 376.461 -0.141 30 20 GBED CC(=O)N1CC(NS(=O)(=O)c2cccc(S(=O)(=O)NC3(C#N)CC3)c2)C1 583945253 NRAFNLSMBPTVSE-UHFFFAOYSA-N 398.466 -0.470 30 20 GBED C[C@H](C#N)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611643492 PSGOEVRDSZWLLL-WZRBSPASSA-N 382.398 -0.005 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCC[C@H]2CC(=O)OC)c1=O 726588306 NJCXZSPXIFPTPZ-AWEZNQCLSA-N 378.429 -0.081 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 728533367 HDOBLMQIMPOQHJ-MRXNPFEDSA-N 398.463 -0.058 30 20 GBED C#CCNC(=O)CN1CCN(C[C@H](O)COc2ccc(C(=O)OC)cc2)CC1 728572305 AGSOLXLAECGVKM-KRWDZBQOSA-N 389.452 -0.420 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1Cn1cncn1 783349782 BQUVVPBQEWEGOS-UHFFFAOYSA-N 377.426 -0.018 30 20 GBED C#CCC[C@@H](O)CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 799074303 FRIOPYZZCCSFRM-CQSZACIVSA-N 379.438 -0.689 30 20 GBED C#CCN(CC#N)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 799201328 XDQVMHHKQFLMJR-UHFFFAOYSA-N 390.465 -0.218 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)NC1COC(C)(C)OC1 848964766 DISLUAOJEYPPKS-LLVKDONJSA-N 383.492 -0.379 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cc(C)nn2C)C[C@@H]1O 964615544 YFGGSWZWQIXSAI-NCOADZHNSA-N 376.457 -0.060 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C(C)(C)c2cnn(C)c2)C1 970252435 HEKMBSZCTNMWQU-WCVJEAGWSA-N 376.457 -0.023 30 20 GBED N#Cc1cc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]32)c[nH]1 976022683 ZUIWABGCLWBUEB-VCOSZWKGSA-N 385.424 -0.018 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCNC(=O)CCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1001750929 VCWOIRIUGBXFJA-QOIOWGMHSA-N 391.468 -0.209 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cccc(C)c2=O)C[C@H]1O 1023958320 KKBWGPYXQDOTBK-VQHPVUNQSA-N 389.452 -0.174 30 20 GBED C=CCCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1044650626 AAALDLHHJZAXSA-YHUYYLMFSA-N 382.457 -0.291 30 20 GBED C=CCNC(=O)CN(CCO)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1098432087 KMKVZTWXBSXREJ-BCDMZGRMSA-N 377.485 -0.003 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2cnc([C@H]3CCCO3)s2)c(=O)n(C)c1=O 1116378919 HCDNYVTWXWVISE-SNVBAGLBSA-N 399.454 -0.296 30 20 GBED COC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCO1 1117886790 MCXMABWQYDWMIK-CQSZACIVSA-N 387.396 -0.998 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@H](C)S(=O)(=O)[C@H](CC)C2)C1=O 1117902765 TVXWMFPMUZNISU-MJBXVCDLSA-N 385.486 -0.344 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3CCC(O)(CO)CC3)CC2)c1C#N 1118532994 INATZLYYLKQHTD-UHFFFAOYSA-N 393.469 -0.682 30 20 GBED N#CC1(OCCOC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCOCC1 1122872105 ZMLOUFWHKPVZEQ-GBOPCIDUSA-N 378.381 -0.219 30 20 GBED COc1cc(CNC(=O)C(=O)N2CC[C@](F)(C#N)C2)ccc1OCC(N)=O 1321898200 DFXHQIAZECYSJK-KRWDZBQOSA-N 378.360 -0.360 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1)[C@@H]1CCCO1 1323588132 RSJUSWHAVSCWAX-DYEKYZERSA-N 375.385 -0.865 30 20 GBED COc1cccc(C(=O)N2CCN(C(=O)C(=O)N3CCO[C@H](C#N)C3)CC2)c1 1325132487 PARFDXXIQPRGBY-MRXNPFEDSA-N 386.408 -0.269 30 20 GBED CCS(=O)(=O)N1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1332719502 ZGSLTWNOFVJQMS-BUHFOSPRSA-N 385.446 -0.810 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NC[C@H]2CC3(CCNCC3)CO2)CCN1C1CC1 1334006756 KABYCRMLRPWHFG-JKSUJKDBSA-N 375.473 -0.540 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@]4(CO)C3)CC2)c1C#N 1344966263 ZVOGGDPZKHVHIM-YVEFUNNKSA-N 375.454 -0.187 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 1347037651 ASZXJBJMMXMODU-STQMWFEESA-N 390.400 -0.313 30 20 GBED CC[C@H](CN1CCOCC1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1471937831 TUHCWFMJXSPYSM-CYBMUJFWSA-N 380.470 -0.048 30 20 GBED Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)F)cn1 1503653548 VAFJTMJOCKGLCA-LLVKDONJSA-N 380.359 -0.211 30 20 GBED C=CCCn1cc(C(=O)N[C@H]2C[C@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)C2)nn1 1573341277 KEMBOHGECYSUAJ-XYPYZODXSA-N 381.404 -0.381 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1577902894 IXWFKWPJTBCMEF-UHFFFAOYSA-N 392.449 -0.763 30 20 GBED N#Cc1cnccc1N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 1581883600 PDEWAWOOLZEQAO-WFASDCNBSA-N 379.384 -0.169 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[C@@H](C)N=c1cc[nH]c(-c2nn[nH]n2)n1 1588404198 FKILODJWDVPLKY-DGCLKSJQSA-N 387.448 -0.144 30 20 GBED C=C[C@H](C(=O)O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1588669260 HOZZUGALDQABPX-OAHLLOKOSA-N 396.469 -0.136 30 20 GBED C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N1CCN([C@H]2CCOC2)CC1 1588699747 MJDJLNPUGXWXRJ-LBPRGKRZSA-N 397.447 -0.055 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 1588724113 VJHVRFKSRWNGLL-HIFRSBDPSA-N 399.459 -0.514 30 20 GBED C#CCOCCC(=O)NC[C@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)CCO1 1602729516 VNWLKCBYWOLNBG-ZDUSSCGKSA-N 386.416 -0.674 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1602883599 DDNZBMVURHZCLQ-OCCSQVGLSA-N 389.416 -0.663 30 20 GBED O=C(CC#Cc1ccccc1)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O 1606488648 QDYIVYMWXXREGY-CVEARBPZSA-N 390.407 -0.236 30 20 GBED C#C[C@@H]1COCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1609020275 WXXJQWGATBLXBT-DGCLKSJQSA-N 390.425 -0.606 30 20 GBED CCOC(=O)CON=C(C(=O)N1CC[C@H](OC)C[C@@H]1C(=O)O)c1cc[nH]n1 1610017350 ANYOIZCOEQCKJJ-CMPLNLGQSA-N 382.373 -0.216 30 20 GBED CN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1617612494 HBHIIRKXQWIVKF-OAHLLOKOSA-N 383.460 -0.057 30 20 GBED CN(C)C(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779064815 OCLMNFAPAGVRKZ-HXUWFJFHSA-N 391.468 -0.397 30 20 GBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781342922 ONNOZNSOZPHKEA-LIRRHRJNSA-N 395.456 -0.275 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)c1ccco1)C2 1782009735 WMJRCXNQOPWUEK-LSBZLQRGSA-N 390.392 -0.085 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1783107151 KKUGFTSTCARWTD-VEVIJQCQSA-N 378.429 -0.373 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1 1786839340 BCZDSBBURPMHJV-UGUYLWEFSA-N 393.488 -0.603 30 20 GBED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC)NC(C)=O)[C@H]2C1 1788776691 GUHVZRHGJNPKQU-XSLAGTTESA-N 393.484 -0.079 30 20 GBED NC(=O)c1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1 1791896993 USJJMXAUSXPSHP-JYJNAYRXSA-N 399.403 -0.533 30 20 GBED O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1793999931 UVJOMVZJALPXCK-ZSBFGKGUSA-N 387.396 -0.206 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2 1795598889 DISCVDGWGGTCFW-CLLJXQQHSA-N 376.417 -0.445 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)c1ccccn1 1795609796 QNKNSDLQNSHVNS-HITLURFISA-N 386.452 -0.291 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn2ccnc2c1 1797448919 RIBTUVHXKXIRKT-ZSBFGKGUSA-N 382.376 -0.375 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@@H]1c1cccnc1 1812877333 GFRWTFYBGBHFKW-SCLBCKFNSA-N 395.375 -0.428 30 20 GBED CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1837239225 TVQSBYLHGCKPKV-CLYVBNDRSA-N 397.497 -0.095 30 20 GBED C[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493609 MZUCCGIYMNPCNZ-JXFKEZNVSA-N 394.468 -0.478 30 20 GBED C[C@H](NC=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839160163 OKLWGJPGSXYJBB-UWJYYQICSA-N 399.447 -0.371 30 20 GBED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)on1 1840041267 AXZJRRDGPKMHLN-KRWDZBQOSA-N 377.353 -0.859 30 20 GBED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1840294847 OXHOTOHFMVKNKH-UZLBHIALSA-N 391.468 -0.228 30 20 GBED Cn1c(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C#N)c(=O)n(C)c1=O 273283106 JHHOMDVTVIGXBP-UHFFFAOYSA-N 393.381 -0.250 30 20 GBED N#Cc1cc(F)c(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)O)c(F)c1 275059776 YOSJOWUPRQDOFC-GFCCVEGCSA-N 375.353 -0.100 30 20 GBED CS(=O)(=O)CCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 284186974 VIIORYOGLJNILA-OAHLLOKOSA-N 378.454 -0.616 30 20 GBED CC(=O)N1CCN(CCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 289709756 CHCNCFWHMCTBQL-UHFFFAOYSA-N 393.469 -0.883 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(CC(=O)NC)CC2)c1 298318557 ROCDCOWNXPXNNI-UHFFFAOYSA-N 392.481 -0.462 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)C1=O 298680462 NMCJTDVSKWTUPF-GFCCVEGCSA-N 385.442 -0.221 30 20 GBED CC1(CNS(=O)(=O)CCCS(=O)(=O)N2CCSC[C@H]2C#N)COC1 349622753 WGKFCRBPIZXLCU-GFCCVEGCSA-N 397.544 -0.397 30 20 GBED CS(=O)(=O)N1CCN(S(=O)(=O)NCc2cc(C#N)ccc2F)CC1 408435309 WHXGQUIXCLVZJK-UHFFFAOYSA-N 376.435 -0.391 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)NC2)cc1 490246877 NHHOVBIUJPPEPI-CYBMUJFWSA-N 394.453 -0.174 30 20 GBED CS(=O)(=O)c1ccc(F)c(CNS(=O)(=O)N2CCO[C@H](C#N)C2)c1 499697482 USZUCKPWSSKZEK-LLVKDONJSA-N 377.419 -0.212 30 20 GBED C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(C#N)cn2)CC1 502664463 GNLNESNYGHXCGQ-HIFRSBDPSA-N 377.470 -0.233 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2cnccn2)cc1 524010889 GAILFLGKMWTNGW-UHFFFAOYSA-N 396.407 -0.123 30 20 GBED CC1=NNC(=O)[C@H]1CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 532494548 KZFSHKCGERPUHF-RISCZKNCSA-N 377.426 -0.147 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CCSC[C@@H]2CCO)CC1 571382377 UIVPBNOIKSFFRF-HNNXBMFYSA-N 389.481 -0.072 30 20 GBED C[S@@](=O)C1(CNS(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)CC1 573816674 IWAFAXUWFRMGRX-JOCHJYFZSA-N 391.496 -0.322 30 20 GBED C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NCC#N 731234150 XSLNFTVJQKUSDH-NOZJJQNGSA-N 389.817 -0.449 30 20 GBED CCN1CCC[C@@H]1CN1C[C@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)CC1=O 736572507 UZBUOTHJWKBCFO-GHMZBOCLSA-N 398.431 -0.267 30 20 GBED CN(CC(=O)OCC(=O)NCCC#N)S(=O)(=O)c1cccc([N+](=O)[O-])c1 738673350 GGADZWKKYNDBQD-UHFFFAOYSA-N 384.370 -0.212 30 20 GBED CNC(=O)CNC(=S)NN=C(C)c1c(C)nn(CCS(C)(=O)=O)c1C 763177258 XLLGSWVOFCODDZ-UHFFFAOYSA-N 388.519 -0.521 30 20 GBED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCS(=O)(=O)C1 766330161 APFOXOMCNXGCGF-NSHDSACASA-N 385.467 -0.191 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 805823451 HTQHJVCRKBPARZ-UHFFFAOYSA-N 384.466 -0.936 30 20 GBED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H]3CCCN(O)C3=O)C2=O)cc1 816753454 IQFDCAWUTASEIW-SCLBCKFNSA-N 390.396 -0.041 30 20 GBED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(-c3nn[nH]n3)o2)c1=O 822590631 KWGRPHBUYMOBME-UHFFFAOYSA-N 383.393 -0.998 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(CC(F)F)C2)CC1 831574462 HPHUHMSVCWGNCF-CYBMUJFWSA-N 378.445 -0.425 30 20 GBED CC1(C)COC(=O)[C@H]1NS(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 848954244 ASUBQBMYFALAQX-GFCCVEGCSA-N 387.439 -0.282 30 20 GBED O=C1CC[C@@H]2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC[C@H]2N1 855678284 XGOJAIXBHKIKAJ-DGCLKSJQSA-N 376.438 -0.148 30 20 GBED C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)C1 923589238 PKVCJUNGMCLTIC-OAHLLOKOSA-N 394.497 -0.127 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@H](OC)C2)cn1 942533657 IWMSSGOGLMTCOZ-BNEJOLLZSA-N 386.452 -0.262 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CN2CCOCC2)C1 962377058 RUNOSZRHZZWHHG-DFGXFYAUSA-N 381.473 -0.622 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 970740398 QZXRZHWGEKQWOR-GUSZCTEKSA-N 390.440 -0.547 30 20 GBED C=CCn1cc(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1 1039752628 ABRZRPQLQLRSDZ-ACXGAUJLSA-N 375.429 -0.275 30 20 GBED N#Cc1ccc(CN[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)cc1 1070275294 FAISUHNKXNOULH-TWMKSMIVSA-N 379.424 -0.187 30 20 GBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCN1C(=O)CCC1=O 1109499251 OWGXPEZZYRKKIA-KBXIAJHMSA-N 376.457 -0.062 30 20 GBED C=CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC(=O)NC)nn1 1109826412 HEJDGYRXWKVLII-DYEKYZERSA-N 375.433 -0.355 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nc2nc(C)cc(C)n2n1 1111344216 VCKMFXRYXSAGSY-KFWWJZLASA-N 381.440 -0.174 30 20 GBED N#Cc1c(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cccc1S(N)(=O)=O 1116727566 YHJKRRKMORLZJB-LBPRGKRZSA-N 384.483 -0.485 30 20 GBED C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 1116729159 MBIOMIFRSMXLIJ-LBPRGKRZSA-N 394.457 -0.480 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H](C)[C@H](C)N2CCOCC2)CC1 1117271277 USJINBZPHGNJML-CABCVRRESA-N 378.473 -0.800 30 20 GBED C[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCN1CC(C)(C)O 1118947728 JDJNGQDPGYBIRW-HOCLYGCPSA-N 377.489 -0.511 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCCC)C[C@@H]1n1ccnn1 1129266533 MVMYJCJBJAYKQW-WCVJEAGWSA-N 376.461 -0.263 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)NC(=O)c2ccccc2)CC1 1329854726 JJOJXCLEVWHYLM-CQSZACIVSA-N 378.454 -0.583 30 20 GBED C=CCn1c(N2CCN(S(=O)(=O)N(C)C)CC2)nnc1C1(CO)CCC1 1338841075 GFRQTXSULHNTOK-UHFFFAOYSA-N 384.506 -0.194 30 20 GBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)C1 1344630660 DCGVDHOOCLVRFY-IBGZPJMESA-N 393.463 -0.003 30 20 GBED COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCOC1 1555557088 NWGPTXVRMYITQV-CXAGYDPISA-N 378.433 -0.253 30 20 GBED C#CCNC(=O)[C@H](C)N[C@@H](C)CCNC(=O)C1CCN(Cc2cnn[nH]2)CC1 1575005114 VBXFBWJJMQLIHH-GJZGRUSLSA-N 389.504 -0.361 30 20 GBED C[C@@H]1CN(C(=O)CC(=O)NCc2cnn[nH]2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1577153008 OPQMAVYOOGSHQR-QMTHXVAHSA-N 384.400 -0.712 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nn[nH]n2)s1 1588355257 GHUIJVVQVISWMG-YUMQZZPRSA-N 385.837 -0.096 30 20 GBED C#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nc1 1588368044 PJZBQGTYORELRT-NSHDSACASA-N 380.368 -0.908 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnc(C)c(C(=O)O)c2)CC1 1588483565 AXMJGVLNFWOVIO-UHFFFAOYSA-N 394.453 -0.466 30 20 GBED C=CCn1cc(C(=O)NC[C@@H](C)N(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 1588713230 HZCXRTDBLPKAFD-SNVBAGLBSA-N 384.404 -0.137 30 20 GBED O=C(C#CC1CC1)NCc1nc(O)cc(CNc2cnc(-c3nn[nH]n3)cn2)n1 1592768081 ZOBDHOPLXAPTHP-UHFFFAOYSA-N 392.383 -0.206 30 20 GBED Cn1cnc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)n1 1729592176 ZUAARWIZDPAEDB-IAQYHMDHSA-N 394.436 -0.201 30 20 GBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCNC3=O)C1 1778918901 MQCSAAFTDGOBIU-OXQOHEQNSA-N 399.451 -0.223 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1778973423 KLTOHVGCESLOGP-BEFAXECRSA-N 381.473 -0.084 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779088285 RXMNGLCFLNTGDH-WMZOPIPTSA-N 399.513 -0.614 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1784485502 NPDUKBKYJSLRRW-YXWQFLTLSA-N 388.424 -0.599 30 20 GBED COc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1786013469 ZLJUDCFBGUVTTH-QEJZJMRPSA-N 387.392 -0.229 30 20 GBED CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1790570414 BBCXMVYAQDQRIS-IHRRRGAJSA-N 381.502 -0.246 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CC(N)=O 1793430479 KBJJXZJPERTYEH-USRAEIGSSA-N 381.473 -0.339 30 20 GBED Cn1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)n1 1794591292 FVLXALQPORAGOJ-NURKDDNYSA-N 386.412 -0.270 30 20 GBED CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)ON=C(C)C)C2 1796321763 ZLWBXJKPJQCNRL-NIFZNCRKSA-N 397.476 -0.176 30 20 GBED O=C(C#Cc1ccccc1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801732821 QGTIUIDBOMFYKU-ACDBMABISA-N 399.491 -0.037 30 20 GBED C[C@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833524300 RWKXPGMJVVYTJU-CYBMUJFWSA-N 392.456 -0.843 30 20 GBED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)CN3CCNC3=N)CC2)CC1 1834704672 CPCHRHSTQSKEHN-CYBMUJFWSA-N 396.561 -0.284 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1835356980 DYYXWUIMCMMGES-MRXNPFEDSA-N 392.372 -0.308 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)C1 1835632238 GLAVIBMUOVKPAB-IBGZPJMESA-N 391.472 -0.751 30 20 GBED CCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835672745 LAUDIMRAVSYSCI-IBGZPJMESA-N 396.488 -0.239 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(CC)COC1)CCO2 1839775709 QHLCBHSONBUTGI-JXFKEZNVSA-N 394.468 -0.092 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1839899449 YSHOTONXSNJMMH-SFHVURJKSA-N 378.425 -0.191 30 20 GBED Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n1 1840041489 PGXWVRWMZQBVJL-IBGZPJMESA-N 387.392 -0.452 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1840480256 PIHSEDYVUPATQM-RLFYNMQTSA-N 392.460 -0.097 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CC(=O)NC2=O)cc1 1848067829 SLIAIRKOQJQPOF-GJZGRUSLSA-N 381.392 -0.075 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCNC(=O)C2)cc1 11982229 GAAKDTQBTLXVTB-UHFFFAOYSA-N 381.410 -0.734 30 20 GBED C[C@H](OC(=O)CNS(=O)(=O)c1cnn(C)c1)C(=O)NC1(C#N)CCCCC1 108760694 BFZKMGMFZICUKO-LBPRGKRZSA-N 397.457 -0.027 30 20 GBED CS(=O)(=O)CCOCCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 266479708 HMHJHCXVRHSDOK-UHFFFAOYSA-N 381.458 -0.154 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N(CCCO)CC(OC)OC)c1cc[nH]n1 278273504 ATEMUGMLWOELRP-XDJHFCHBSA-N 386.405 -0.477 30 20 GBED C=C[C@@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 290117494 RWRXRIJOPMFSHH-ZDUSSCGKSA-N 396.469 -0.776 30 20 GBED COCCN(CCN(C)C)C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 297514946 AZAVEFVULGGHNM-UHFFFAOYSA-N 388.472 -0.362 30 20 GBED C[C@H](O)CN(C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@@H](C)CO 297616387 BRVWCMSTBHJAFZ-KBPBESRZSA-N 375.429 -0.808 30 20 GBED C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 332767068 CNSNFEPBIAHMCE-UONOGXRCSA-N 384.502 -0.047 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCn2cnnc2[C@@H]1C 349463435 VBFDDYWINNCMSS-RYUDHWBXSA-N 390.491 -0.404 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCn2cnnc2[C@H]1C 349464305 WBZZOBJDWVJWKD-WDEREUQCSA-N 376.464 -0.794 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCCS(=O)(=O)N2CC[C@H](O)C2)c1C#N 349590560 MDAWWJGHWQXSCJ-NSHDSACASA-N 391.475 -0.492 30 20 GBED CNS(=O)(=O)c1ccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)s1 409580218 FDJMPRMVTVLPMI-VIFPVBQESA-N 380.473 -0.785 30 20 GBED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N(C)C[C@H](C)C#N)C1 410890151 PDIGYCSVNVCQPP-ZIAGYGMSSA-N 388.490 -0.497 30 20 GBED CCC[C@H]1CN(C(=O)Cn2cnc(C#N)n2)CCN1C(=O)Cn1cnc(C#N)n1 426877772 ZRFOXQYWSFAMPL-ZDUSSCGKSA-N 396.415 -0.847 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1 440295387 QVCWFYMWDJPVAZ-CYBMUJFWSA-N 380.426 -0.570 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)C1=O 440676386 RNKVGNGHANCWMH-NWDGAFQWSA-N 383.426 -0.469 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@@H]1CC(N)=O 457063024 QHFLGLUCKJTEJY-AAEUAGOBSA-N 380.426 -0.672 30 20 GBED N#Cc1cc(F)c(S(=O)(=O)N2CCN(CCS(N)(=O)=O)CC2)c(F)c1 467147571 MYJLIWGATMRRAC-UHFFFAOYSA-N 394.425 -0.569 30 20 GBED CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCC#N)c1 509018127 VHQSGIXUSRCKIG-NSHDSACASA-N 395.441 -0.542 30 20 GBED CN1C[C@H]2CN(S(=O)(=O)c3ccc(S(=O)(=O)NCC#N)cc3)C[C@H]2C1 516784799 QXVJEJPMHDUTTI-BETUJISGSA-N 384.483 -0.329 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CC(N)=O 524281233 MRUWKKFPVFEPSR-UHFFFAOYSA-N 388.474 -0.430 30 20 GBED Cc1nn2c(SCC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)n[nH]c2nc1=O 537072144 UQAIWMBHALBBMA-LBPRGKRZSA-N 390.473 -0.095 30 20 GBED Cn1cc(N2CC[C@@H](NC(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)C2=O)cn1 557367817 FJSDUZQSHFSXLI-CYBMUJFWSA-N 398.427 0.103 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCc2c[nH]nc2C1 570528725 BQHREWUHPHVIAS-GFCCVEGCSA-N 389.503 -0.202 30 20 GBED COc1cc2ncn(CCCC(=O)NCC(=O)NCC#N)c(=O)c2cc1OC 572193085 IXMCXALHNKPMIL-UHFFFAOYSA-N 387.396 -0.050 30 20 GBED CNC(=O)Cn1cc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cn1 583594319 RXQSYPNZXQVPGX-UHFFFAOYSA-N 376.398 -0.582 30 20 GBED C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CC[C@](O)(CC#N)C1 592149272 LXTWRPJYLGBJPS-SJKOYZFVSA-N 378.454 -0.038 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)CC1 595166166 VCWRQZQMFDFLSK-CQSZACIVSA-N 389.481 -0.189 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 596748286 KWNRCOGIDFCNJK-BFHYXJOUSA-N 380.426 -0.072 30 20 GBED CCS(=O)(=O)C1(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 599099074 RWCDZAAKMYNJFL-UHFFFAOYSA-N 381.414 -0.646 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cc(NS(C)(=O)=O)ccc1OC 646951010 TXCXTDDFWHJRRW-LBPRGKRZSA-N 383.426 -0.104 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)C[C@@H](NC(N)=O)c2cccc(C)c2)CC1 728533882 UQMARAIMZKPNKY-QGZVFWFLSA-N 385.468 -0.012 30 20 GBED C#CCNC(=O)C1CCN([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)CC1 747817997 CNSGZNDTADVUBU-MRXNPFEDSA-N 384.484 -0.025 30 20 GBED CNC(=O)CNC(=S)NN=Cc1cc(OC)c(OCC(=O)O)cc1[N+](=O)[O-] 755719257 BOPHWZLLOJXNLX-UHFFFAOYSA-N 399.385 -0.389 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cnn(C(C)C)c1C 787164113 WIEKDDGNXNVCEM-UHFFFAOYSA-N 382.446 -0.128 30 20 GBED CS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 788390518 CRUDWCFFQOCSOW-CQSZACIVSA-N 392.437 -0.669 30 20 GBED C[C@H](CC(=O)OCC(=O)NCC(=O)O)/N=C1/NS(=O)(=O)c2ccccc21 820088692 CQDXPQAXCFRXJG-SECBINFHSA-N 383.382 -0.752 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@]23CCOC3=O)cc1 848941917 NXHOULIDBBYTMJ-HNNXBMFYSA-N 399.450 -0.041 30 20 GBED C#CCN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2ccncc21 848962097 ZFOZANVSIAMQHZ-UHFFFAOYSA-N 386.499 -0.048 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 875599030 NRFXQAKMIYCQGT-DLBZAZTESA-N 392.500 -0.314 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H](OC)C2)nc1 946759489 JWXNKBJKSYRZFT-QKPAOTATSA-N 386.408 -0.949 30 20 GBED C=CCn1cc(C(=O)NC[C@@H]2COCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)nn1 964198277 YVTHIHRGLIGCKU-SGAAXARDSA-N 387.440 -0.155 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cc(C)nn2C)C[C@@H]1O 964503614 MBIMDHNECJYVRU-DFGXFYAUSA-N 376.457 -0.060 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3oc(O)nc3n2)C[C@@H]1O 970702669 WGWDHJJHXGHTNW-XEZLXBQYSA-N 388.380 -0.179 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1O 1023960703 UDVDFLUGYSIUGF-VQHPVUNQSA-N 393.484 -0.086 30 20 GBED C#CCOc1ncccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1025762592 ZPVVJEIYFFDUID-NHMWIVBRSA-N 385.420 -0.037 30 20 GBED C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](Nc2nccnc2C#N)C1 1039637189 GGFQVSDJXCOSSL-ATGSNQNLSA-N 384.400 -0.392 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CN(C)CCO1 1110417404 XMDIKNDVRBYXMZ-KBXIAJHMSA-N 379.461 -0.950 30 20 GBED CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118208016 YFOBSAKPMKAIKN-KRWDZBQOSA-N 394.453 -0.570 30 20 GBED CN(C)CCN1C[C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CC1=O 1151224843 WCWOFBJZORIDII-LBPRGKRZSA-N 375.433 -0.533 30 20 GBED C=CCN(CC=C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 1194886905 OAGYXYYJEKFGGM-YFHUEUNASA-N 387.484 -0.115 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NC2CCN(C[C@H]3CCOC3)CC2)CCN1C1CC1 1261924631 AYTHFBJSUFTXSN-CRAIPNDOSA-N 389.500 -0.198 30 20 GBED COc1ccc(C#N)cc1NC(=O)C(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 1320561398 JHGXAICLZZOUJA-LBPRGKRZSA-N 381.410 -0.487 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 1325696455 KUBDFGASZNFERC-LBPRGKRZSA-N 389.474 -0.171 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2cccc(O)c2)CC1 1327403472 MEDSKEOHFFTHNU-UHFFFAOYSA-N 381.454 -0.242 30 20 GBED C#CC1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)CC1 1332373569 VMTUTUZDQUGGOS-UHFFFAOYSA-N 399.513 -0.243 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCN(CC(=O)N[C@H](C)CC)CC2)CC1 1334911608 LAROQHZYMRXDHM-MRXNPFEDSA-N 394.516 -0.025 30 20 GBED C#CCSCCn1nnnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1335827666 SDVSPQBJUNQGME-UHFFFAOYSA-N 377.474 -0.690 30 20 GBED CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C(=O)N2CCC[C@@](C)(C#N)C2)C1=O 1347029222 VYQHKDZGMLAITB-IGNZVWTISA-N 375.429 -0.025 30 20 GBED C[C@@H]1C[C@@H]1n1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1543739209 LTOBBMSTWVBGRH-MQYQWHSLSA-N 396.473 -0.079 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[nH]n2)nc1 1573309583 LDRZKSJHNDLDBW-CXAGYDPISA-N 375.433 -0.156 30 20 GBED COC(=O)c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CC[C@@](O)(CC#N)C1 1591285859 QXXRFIJUNOQUEW-HNNXBMFYSA-N 392.397 -0.308 30 20 GBED COCC#CCN(C)CCOCCN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1591362373 UWGYVUGSHJOCMG-UHFFFAOYSA-N 375.433 -0.135 30 20 GBED N#C[C@@]1(NC(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CCSC1 1592670777 NXCRYFRRSCESTA-AWEZNQCLSA-N 393.454 -0.340 30 20 GBED C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)O)C1 1602901855 ZLHHGGHFLNCOIL-NWDGAFQWSA-N 376.417 -0.168 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@]1(O)CCOC1 1761465724 YDSZZDAISKIYRK-TYNCELHUSA-N 386.478 -0.222 30 20 GBED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C 1769845596 OVXPAWXCNHUNBN-CYBMUJFWSA-N 398.489 -0.365 30 20 GBED Cn1cnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)n1 1782011132 RKEGPTOOUWQMHX-SJKOYZFVSA-N 375.385 -0.969 30 20 GBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1783046142 JTCLFQOLDAHHNK-LIRRHRJNSA-N 395.456 -0.275 30 20 GBED C#CCCCCC(=O)N1CCO[C@@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783262393 OFOARZHVICUKON-HXUWFJFHSA-N 395.500 -0.704 30 20 GBED Cc1cn(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)c(=O)nc1O 1785354396 KIDMXHCVDKKZFZ-YVEFUNNKSA-N 396.469 -0.594 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cncn3)[C@H]2C1 1787084988 LMSUJRIJNBRUNQ-VGWMRTNUSA-N 375.429 -0.704 30 20 GBED C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793258459 FQMAQOLAOVJFDS-JJAZEVLHSA-N 382.482 -0.330 30 20 GBED COc1cccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)n1 1793988639 FWDCMEUPBKJKIE-DBWKPXFBSA-N 387.392 -0.690 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCNC1=N 1796022019 UNLGFWNFWUCAPJ-BNHNOLAQSA-N 388.472 -0.677 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2 1798400411 KYAKXZQXLCMOFM-YVSFHVDLSA-N 397.516 -0.516 30 20 GBED C#CC(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807358389 FNMHIVMJOKEBFF-SUMWQHHRSA-N 391.391 -0.235 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cncnc4)CCO3)C2)CC1 1833117019 STWZSDSKXIHVTM-IBGZPJMESA-N 385.424 -0.221 30 20 GBED Cc1noc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834068615 WWBVLXHSPBCYBN-SFHVURJKSA-N 391.380 -0.551 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836213628 FWVKYDOYCJLNDX-MAUKXSAKSA-N 377.445 -0.053 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839875474 NFGCNDVHQQMLAA-SCLBCKFNSA-N 380.445 -0.483 30 20 GBED Cc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)s1 1840042801 OSXNDVARLVJFCB-KRWDZBQOSA-N 393.421 -0.390 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)c3)C2)C1 1840043388 VHVAFWQAQYOPBV-IBGZPJMESA-N 390.367 -0.016 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1840410160 YHSIMWAGAZTVOX-GOSISDBHSA-N 376.413 -0.112 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2 1840802883 KDBGDNMOHILUQA-IBGZPJMESA-N 395.456 -0.009 30 20 GBED CC/N=C(/NCCN1CCOC[C@@H]1C)N1CCN(C(=O)[C@H]2CCCO2)CC1 262521958 FGXAZZCIROWWJB-DLBZAZTESA-N 381.521 -0.004 30 20 GBED CNC(=O)Cn1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cn1 268829537 QMSNBDSTXFKZHK-NSHDSACASA-N 390.425 -0.194 30 20 GBED N#Cc1ccc(C[C@H](C#N)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 280915927 NWPSSMJBURFVCZ-MRXNPFEDSA-N 378.396 -0.402 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 286742713 SEYSEXDSXXTGTC-KRWDZBQOSA-N 392.500 -0.007 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCS(=O)(=O)[C@H]1C 293898259 ZKMLOBCFOKALFW-MJVIPROJSA-N 385.467 -0.083 30 20 GBED CC1(C)C(=O)NCCN1S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 349475213 WQAROQJOKCIFRE-UHFFFAOYSA-N 386.455 -0.612 30 20 GBED COCCN1CCCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1=O 370379731 OIFHKNPFAMXTGE-UHFFFAOYSA-N 376.417 -0.019 30 20 GBED CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 376870730 PKCRSFCFOKUSQX-CYBMUJFWSA-N 384.371 0.559 30 20 GBED C[C@@]1(c2ccc(CNS(=O)(=O)N3CCO[C@H](C#N)C3)cc2)NC(=O)NC1=O 410140522 JBUNTAZHNDUCCT-CJNGLKHVSA-N 393.425 -0.700 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCn3ncnc3C2)CCN1Cc1ccccc1 410596428 ZVDJYHVMGRHGND-INIZCTEOSA-N 379.424 -0.143 30 20 GBED COC(=O)CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1 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30 20 GBED COC(=O)CCNC(=O)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 600071462 WFQPIMLHRBZRKA-UHFFFAOYSA-N 392.416 -0.366 30 20 GBED O=C(NCC#CCNC(=O)[C@@H]1CCCc2nn[nH]c21)[C@H]1CCCc2nn[nH]c21 613395379 QCLRPMRFYFDRJA-TXEJJXNPSA-N 382.428 -0.301 30 20 GBED C#CCNC(=O)CN1CCN(CCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 735381072 LGGLGFBORIXUHL-UHFFFAOYSA-N 396.455 -0.438 30 20 GBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCCn1ncc(C#N)c1N 751839263 KLACOTLBPLUFAG-JTQLQIEISA-N 395.445 -0.402 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC(=O)NCCC#N 762946716 YFFQEARKEBXUON-SNVBAGLBSA-N 382.398 -0.975 30 20 GBED C#C[C@H](NC(=O)C(=O)NC1CCN(CC(=O)NCCC)CC1)[C@@H]1CCCO1 788069722 PSZZTNCJIMXUDQ-HOTGVXAUSA-N 378.473 -0.610 30 20 GBED C#CCNC(=O)CN1CCN(CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 794554084 IXQHSLUXRDNPLT-UHFFFAOYSA-N 393.532 -0.094 30 20 GBED C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccnn2C)c1=O 794646166 VMZFGUBGXBJXFI-CYBMUJFWSA-N 382.445 -0.225 30 20 GBED C#CCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 799200026 VPJTXEXBEKZPDH-UHFFFAOYSA-N 379.442 -0.417 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H](C)CC)C2)CC1 831561049 ORUHAARTDGEJGO-CVEARBPZSA-N 398.529 -0.117 30 20 GBED C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 848960836 KNWOZTWZKVCIRS-CHWSQXEVSA-N 379.529 -0.069 30 20 GBED C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1nc(C)cc(OC)n1 848964604 BLJHIBJYSHGYRX-JTQLQIEISA-N 376.460 -0.133 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](OC)C1 942230677 KTSXOTQEXXDCJN-RJZRQDKASA-N 378.429 -0.730 30 20 GBED C#CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ncnn1 1004722911 QYZHKTSRJJDCDA-YUELXQCFSA-N 381.396 -0.358 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1043246118 CNDRPFXZAHTDSU-XGUBFFRZSA-N 379.457 -0.619 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(Cc2ncccn2)[C@H]2CS(=O)(=O)C[C@H]21 1094660307 CNIUNLUCOVBFGU-QXSJWSMHSA-N 392.481 -0.123 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CC(=O)N(C)C1 1110616838 STXKSODQDVYNQN-DGAVXFQQSA-N 377.445 -0.802 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)C1 1118145852 QWUHIELPIDDNMX-FQEVSTJZSA-N 385.468 -0.198 30 20 GBED C[C@@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)N(C)CCC#N 1317799007 ZFOLZLONBOHACA-NEPJUHHUSA-N 398.441 -0.544 30 20 GBED N#CCn1cc(NC(=O)C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cn1 1319359054 MQVNSESUWUNJJR-AUZPSNTRSA-N 382.380 -0.732 30 20 GBED Cc1ccc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NCC#N 1320738977 XKOYSAUEHWETTH-LBPRGKRZSA-N 385.467 -0.039 30 20 GBED CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1cccc(OCC#N)c1 1321671893 DYKIOQJDNLYKJI-OAHLLOKOSA-N 376.413 -0.321 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 1323129011 MAIVYTMPJVYPQD-UHFFFAOYSA-N 382.424 -0.531 30 20 GBED COC(=O)NC1CN(C(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)C1 1327733653 LVFMOQJBHUOBTK-UHFFFAOYSA-N 377.426 -0.165 30 20 GBED N#Cc1ncn(CC(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)n1 1335298294 ZKRVEDGZZFOOHQ-UHFFFAOYSA-N 388.453 -0.303 30 20 GBED C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)C(=O)N1c1cnn(C)c1 1340170795 MHJBKMBLWTZRLC-DGCLKSJQSA-N 384.400 -0.221 30 20 GBED C=CCCOCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)NC)s1 1342904729 ZYROGRGHGRQNQW-UHFFFAOYSA-N 375.472 -0.019 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H](NC(=O)N(C)C)C2)C1=O 1344923981 GAXHZMOMXOCGKZ-UONOGXRCSA-N 379.461 -0.506 30 20 GBED C=CCn1c(CCCN2CCCC2=O)nnc1N1CCO[C@@H](C(=O)NC)C1 1351740330 GQSXZTUZAIRKMY-CQSZACIVSA-N 376.461 -0.030 30 20 GBED C=CCn1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)nn1 1573351563 SDDZPQQWUPUZNA-MNOVXSKESA-N 381.404 -0.169 30 20 GBED C[C@@H](C#N)C(=O)N1CCC[C@H](N(CCO)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573566922 HPMPRMZKQZPSPP-RYUDHWBXSA-N 386.416 -0.220 30 20 GBED CN(C[C@H](O)CN(C)c1cnc(-c2nn[nH]n2)cn1)C(=O)c1c[nH]c(C#N)c1 1579028456 ODECQRFRAMSXMY-GFCCVEGCSA-N 382.388 -0.574 30 20 GBED Cc1cc(=NC[C@H](O)CN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)c(C#N)c[nH]1 1581016133 ZCJPSRODBUOZNM-ZDUSSCGKSA-N 381.400 -0.263 30 20 GBED C#CC[C@H](CO)NC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O 1588332056 VDZNJEZVXHOQMO-TZMCWYRMSA-N 397.395 -0.428 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nn[nH]n2)s1 1588357602 NRJNHHBDTNLAAF-YUMQZZPRSA-N 385.837 -0.096 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)c(-c3nn[nH]n3)cn2)C1=O 1588655170 XKYWRDSQUXTFBN-LBPRGKRZSA-N 384.400 -0.246 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](C)c1ncc(C(=O)O)s1 1588878565 DJTDTNFXEBYEGU-MRVPVSSYSA-N 375.428 -0.265 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC1(O)CCC1 1723957642 OWJFUEKRQOPPJB-STQMWFEESA-N 398.489 -0.078 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1778969768 SDLYCMULVSXLLR-BIENJYKASA-N 379.457 -0.332 30 20 GBED CN[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1)C(=O)O 1785365392 VPZFMJQLKYGPOA-FZKQIMNGSA-N 378.429 -0.427 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21 1791075594 BOCHWIARYWADHL-NOLJZWGESA-N 397.391 -0.589 30 20 GBED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 1791274356 IZGPRBVNCXWONG-OBJOEFQTSA-N 386.412 -0.413 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2 1793823966 QBFFTLYEONNXSX-GUIRCDHDSA-N 380.474 -0.257 30 20 GBED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=N)N)c1 1795538812 KCRGHULULBTQIJ-SCAQPMJSSA-N 384.440 -0.447 30 20 GBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1800533574 WBIPFHYVRJASRA-PKEZIJFGSA-N 393.488 -0.428 30 20 GBED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)nc2nccn12 1800779802 WDUONKUYPZROQB-FVCICTRLSA-N 397.391 -0.671 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CC)CCO2 1831193386 RQVQOOXSWAJJNW-DNVCBOLYSA-N 379.457 -0.229 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1834760855 LLUBGXSACNCLCK-AWEZNQCLSA-N 393.318 -0.538 30 20 GBED CC(C)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042208 GRUORZANYZSDCV-KDOFPFPSSA-N 382.413 -0.656 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840173416 WXMOYEITQCKAJR-INIZCTEOSA-N 379.373 -0.036 30 20 GBED CN(CC(=O)N1CC2(CCCN2C(=O)c2ccc(C#N)cc2)C1)C(=O)C(=O)O 1844929481 VJPWXVSNIFQDPM-UHFFFAOYSA-N 384.392 -0.082 30 20 GBED CCN(C[C@@H](C)C#N)C(=O)CN1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 68849492 QXRNPVCQRVFMIL-IRXDYDNUSA-N 379.505 -0.141 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@H](O)CN2CCOCC2)c1 267668241 KXPFYOYSHYLHNR-INIZCTEOSA-N 397.497 -0.084 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 268738313 QUWFDJHHKBAOCR-AAEUAGOBSA-N 385.467 -0.129 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)CCCOC)CC1 269295186 WNIXQIVQXXIFBF-CYBMUJFWSA-N 376.479 -0.629 30 20 GBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2sccc2C#N)C1=O 270729876 NAHIBLRUNWWURW-OLZOCXBDSA-N 396.494 -0.040 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)C1=O 281298025 IUADLZCDOANBQJ-YAYDYNKSSA-N 375.425 -0.216 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 292351701 PZMNNSGQDNLMLW-RHSMWYFYSA-N 378.473 -0.493 30 20 GBED CS(=O)(=O)N1CC[C@@H](C/N=C(/O)N2CCC(Nc3cccnn3)CC2)C1 328761626 YDUAGVSWMSWMOB-ZDUSSCGKSA-N 382.490 0.548 30 20 GBED CC(C)[C@H](/N=C(/O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C(=O)N1CCOCC1 329253973 ZOOCXVJSARSZKC-JLHFOLKXSA-N 393.440 -0.011 30 20 GBED CN(/C(O)=N/C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)[C@@H]1COC[C@H]1O 329424997 IKCOKMGLXZACGZ-ZIAGYGMSSA-N 387.462 -0.821 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[S@@](=O)CC[C@H]1C 349463424 VAPQUZOPKBSMCX-VJBOLBCHSA-N 399.560 -0.277 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CC(=O)N[C@@H](C)C1 349479230 IUJRNWWSQGXWFH-QWRGUYRKSA-N 386.455 -0.614 30 20 GBED C[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)CC#N)c2nccn21 349536666 NZJWDIDQFIXMEF-RYUDHWBXSA-N 375.476 -0.016 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H]2CCN(C3CCN(C)CC3)C2)C1=O 370830166 LLRSREBXXILNNR-HNNXBMFYSA-N 391.472 -0.410 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCN1CCOCC1)CC(=O)OC 410154408 NITQGPWIQNTATL-AWEZNQCLSA-N 376.479 -0.480 30 20 GBED N#Cc1cccc(N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@H]5O)CC2)n1 410751586 XJZVESUJOCBZIH-AXRYGOTBSA-N 381.436 -0.170 30 20 GBED CN1C(=O)CC[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1=O 425088507 MKLUOZXMHYHAGR-ZDUSSCGKSA-N 378.410 -0.558 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)C1=O 440260191 YHTVSAVUOOQIEF-GFCCVEGCSA-N 380.426 -0.331 30 20 GBED Cn1c(NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)c(C#N)c(=O)n(C)c1=O 523181580 TYAPIHJBKDUBLD-SFHVURJKSA-N 382.380 -0.378 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)c1 563430062 RSTYULGUAUPSKE-GXFFZTMASA-N 386.455 -0.485 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN(CCNS(C)(=O)=O)C2CC2)CC1 579119928 QTNWRNCBUYCIKO-INIZCTEOSA-N 385.534 -0.308 30 20 GBED N#Cc1c[nH]c(=O)n(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c1=O 592355021 WADYNVIQSHAOCL-ZDUSSCGKSA-N 380.426 -0.633 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCSC2)s1 594637506 ZCSGBLSSPDTLHD-SECBINFHSA-N 396.541 0.571 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 596750242 VBDVZHNQGLCQCU-KBPBESRZSA-N 379.442 -0.403 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)NC2CC(NS(C)(=O)=O)C2)cc1 669921777 SOWRINUAQPNQJC-UHFFFAOYSA-N 387.483 -0.039 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCc2ccc(C#N)cc2)C1=O 726034108 BGSQYXNUUAQPPU-UHFFFAOYSA-N 384.348 -0.306 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cnc3onc(C)c3c2)CC1 728589982 POXMFZMPOLVOEE-UHFFFAOYSA-N 377.426 -0.413 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)NCCOC)c[nH]1 764030474 SCERMGUYWWSVOP-UHFFFAOYSA-N 388.402 -0.892 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCN1C(=O)CCC1=O 767678003 IOGMZZDRGJZMQP-LLVKDONJSA-N 379.394 -0.083 30 20 GBED Cn1cnc(S(=O)(=O)NCC(=O)OCc2cc(O)n3ncc(C#N)c3n2)c1 784084108 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CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1604438738 NCGVSIHVMXTBQW-MPKXVKKWSA-N 386.416 -0.052 30 20 GBED C#CCN(C)CCCNC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1609020710 DHEGVUYRJPGKNI-UHFFFAOYSA-N 391.457 -0.784 30 20 GBED COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1631729777 LCZYPFBOCIUBCJ-SUHUHFCYSA-N 381.410 -0.640 30 20 GBED C#CCCCCC(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782753732 NGLKJYRYIJGBMX-LJQANCHMSA-N 393.440 -0.447 30 20 GBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccccc1C(=O)OCCO)CCO2 1783054917 PZCGJOKMDPQDNL-HXUWFJFHSA-N 386.404 -0.088 30 20 GBED CCN1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783568138 NVXJMOOOUBXTMB-LJQANCHMSA-N 377.441 -0.364 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOC2=O)CCC1 1793165719 QNXYJBNXEVOAPI-AGGWBTHJSA-N 376.413 -0.278 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1793819108 QJRZZSMGANSKBP-DRXBFXEBSA-N 396.469 -0.953 30 20 GBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CNCP(=O)(O)O)C3)c1 1799419018 RQDRWIHNJQGEON-CLLJXQQHSA-N 395.356 -0.137 30 20 GBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)CC)C2 1802017989 VWMPNGHFSHLEDZ-AYDFFVQHSA-N 385.486 -0.683 30 20 GBED NC(=O)CC[C@H](N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1826823078 YZQLUPGEYWTAHI-GJZGRUSLSA-N 392.456 -0.713 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C4CC(O)C4)CCO3)C2)CCC1 1830592334 PWZRSGMUGWCEIU-JFIBYHEFSA-N 377.441 -0.092 30 20 GBED C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1831319815 FMQDNBOTTQNNMG-QGZVFWFLSA-N 395.525 -0.030 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(F)c1)CCO2 1831907591 PWJCDJGEMLIHBS-GOSISDBHSA-N 391.355 -0.621 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4nc[nH]n4)CCO3)C2)c1 1836351796 KTPCFPHJWRPYQU-KRWDZBQOSA-N 385.384 -0.612 30 20 GBED C#CC(=O)N1CCC(OC2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1837582357 UWEUNAOCDFYJJE-UHFFFAOYSA-N 399.451 -0.128 30 20 GBED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H](COC)NC(C)=O)CC2)CC1 1838434033 INIHCXNLCYKPCQ-KRWDZBQOSA-N 379.457 -0.231 30 20 GBED CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839222593 SJWNYQZNWRATHS-RDTXWAMCSA-N 398.460 -0.620 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1C(N)=O)CCO2 1839350059 GPFPYJVODDBFTM-LJQANCHMSA-N 386.408 -0.231 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1839713199 XKDLOXTZGMXQKD-CRAIPNDOSA-N 375.429 -0.291 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1839844564 OACOAAKLZQNDJH-CRAIPNDOSA-N 377.445 -0.053 30 20 GBED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)n1cccc1 1840355109 QTAHJVASEGCGKG-DNVCBOLYSA-N 389.408 -0.407 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840422310 UXZIXQYLAHUAAQ-QAPCUYQASA-N 375.429 -0.291 30 20 GBED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(N)=O)CCO2 1840922297 NEMISSVFRFTRBI-GOSISDBHSA-N 380.445 -0.695 30 20 GBED N=C1NCCN1CC(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282358 HCROVGAANLWLEO-UHFFFAOYSA-N 387.484 -0.272 30 20 GBED O=C(C#Cc1ccccc1)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844294984 WRNRBYVNJYFZRM-LJQANCHMSA-N 383.448 -0.108 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)C1=O 53270931 AFHBAZJCTSOZHC-ZDUSSCGKSA-N 376.413 -0.272 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnn(CC(F)F)c2)CC1 187092709 GOMHDTRQFIPDSD-UHFFFAOYSA-N 389.428 -0.406 30 20 GBED CC/N=C(/NC[C@H]1CCS(=O)(=O)C1)N1CCN(c2cnn(C)c2)C(=O)C1 261700878 JETUWFYLGQIXKL-CYBMUJFWSA-N 382.490 -0.531 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CC(=O)N1CCOCC1 268729794 NVJFRKBQEQXPBC-CYBMUJFWSA-N 394.453 -0.458 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](C)N1CCN(C)CC1 268802661 JTRBBVAHLXZNAH-CABCVRRESA-N 393.513 -0.023 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 270946550 XZZLVQPINUYKLZ-GFCCVEGCSA-N 377.372 -0.172 30 20 GBED CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 287135258 YVZBTEBLYAWURK-LJQANCHMSA-N 398.511 -0.436 30 20 GBED Cn1c(NS(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)nc2cccnc21 348340350 HJJAWSRHTUGBGO-UHFFFAOYSA-N 398.470 -0.115 30 20 GBED CC(C)N1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N)CC1=O 349496920 HZXKBRRKPJAHCY-ZDUSSCGKSA-N 394.519 -0.567 30 20 GBED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)n1 368144137 WYEYMERTMYXZEQ-ZDUSSCGKSA-N 381.396 -0.380 30 20 GBED CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1 373143149 WEDVZPSCGQGENP-LBPRGKRZSA-N 382.446 -0.186 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)CCC#N)CC2)cn1C 481071707 NZZIHBZLJABMCN-UHFFFAOYSA-N 390.491 -0.875 30 20 GBED COCCN(CC(=O)N(C)C)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 498425976 ODQBPSTUOUFOLM-UHFFFAOYSA-N 396.469 -0.026 30 20 GBED CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 574728535 PJVGZGIGQCTRDI-GFCCVEGCSA-N 396.411 -0.003 30 20 GBED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCCCCC#N)CC1 578509423 GJEFQNRTGCWLNI-OAHLLOKOSA-N 379.461 -0.812 30 20 GBED Cc1nsc(N2CCN(C(=O)NC[C@@H]3CS(=O)(=O)CCO3)CC2)c1C#N 589615317 ACWYUOJNWCMCSN-GFCCVEGCSA-N 399.498 -0.032 30 20 GBED CNC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)NCCOc1ccc(C#N)cc1 591713979 VRZMFYQXLGHMHU-AWEZNQCLSA-N 394.453 -0.118 30 20 GBED C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC#N)CC#N)cc2)C[C@@H]1O 594494291 FDKAXKNGOURUEA-WFASDCNBSA-N 398.466 -0.274 30 20 GBED CN(C)S(=O)(=O)NCCNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 596614809 ZMRQEXOACRXBLA-CYBMUJFWSA-N 382.446 -0.488 30 20 GBED CNC(=O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 603441745 LXTXAMGEKDCSBT-UHFFFAOYSA-N 393.469 -0.931 30 20 GBED C[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@H]1CN(C)CCO1 610906245 COKGEPHMBNOVQN-CZUORRHYSA-N 397.439 -0.028 30 20 GBED CCN1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)CC1=O 736572517 UZBUOTHJWKBCFO-WDEREUQCSA-N 398.431 -0.267 30 20 GBED C#CCn1ccc(CN(CC)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)n1 788937162 FYWXVYJQDQWHOX-UHFFFAOYSA-N 396.517 -0.375 30 20 GBED C=CCN(CC=C)C(=O)COC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 825370192 NNYACPLHNZTQOL-UHFFFAOYSA-N 375.385 -0.823 30 20 GBED N#Cc1nc(N)n(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1-c1nn[nH]n1 826387597 FHTWXNZENZJLBE-UHFFFAOYSA-N 389.357 -0.101 30 20 GBED C#CCN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)CC1 848955792 DUGNGGWRCLROIA-UHFFFAOYSA-N 382.467 -0.572 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1noc(C)n1)[C@@H]1CCCO1 848962988 FVYXGQJDLQOWBI-NEPJUHHUSA-N 392.459 -0.390 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 875599033 NRFXQAKMIYCQGT-SJORKVTESA-N 392.500 -0.314 30 20 GBED CC(C)NC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 916946829 MLYVFODUEIPZCD-CQSZACIVSA-N 392.437 -0.346 30 20 GBED C=CCCO[C@@H](C)C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 921218490 XNVUUQOIUGKBRT-LSDHHAIUSA-N 388.486 -0.158 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)nn1 1118116550 ZAWHARZQKXDPNH-ZDUSSCGKSA-N 395.427 -0.521 30 20 GBED COc1ccc(OC)c2c1CN(C(=O)C(=O)N1CC[C@@](O)(CC#N)C1)C[C@H]2O 1261483884 HLSNVAHAORVRPP-YJYMSZOUSA-N 389.408 -0.044 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 1323448965 WBNCIVUNWBHLEB-UHFFFAOYSA-N 389.424 -0.148 30 20 GBED CS(=O)(=O)CCOCCNC(=O)C(=O)N[C@H]1CCc2cc(C#N)ccc21 1325078124 OTWUYXVASFKMPX-HNNXBMFYSA-N 379.438 -0.161 30 20 GBED CCON(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1328566063 IAKHTAUUKYVHNV-UHFFFAOYSA-N 380.426 -0.199 30 20 GBED C=CCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@@]1(O)CCOC1 1339911669 URGPHERQROYICO-KBXCAEBGSA-N 377.445 -0.100 30 20 GBED C#CCN1CCCC[C@@H]1c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC 1356502895 WPYNJSWNOZEJBB-LSDHHAIUSA-N 385.472 -0.395 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2OC)nc1 1573291151 XNQNHEQQUBBGKS-HUUCEWRRSA-N 391.395 -0.333 30 20 GBED C#CCN(CC(=O)O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 1573318038 RZMOMDFVWVRFSH-UHFFFAOYSA-N 382.398 -0.346 30 20 GBED C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1 1574660406 OVPLAEZDFWMCMP-LSDHHAIUSA-N 396.517 -0.178 30 20 GBED C#CCNC(=O)CN1CC[C@H](N(CCC)C(=O)[C@H](C)OCc2cnn[nH]2)C1 1575004919 PSRJQEBZBWVICY-HOCLYGCPSA-N 376.461 -0.228 30 20 GBED N#CCN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1cnn[nH]1 1577706686 PFXOZWDTTOMQTI-UHFFFAOYSA-N 391.457 -0.473 30 20 GBED N#Cc1c[nH]ccc1=NC[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1581883651 QUJOMHHDEQEBOM-CYBMUJFWSA-N 379.384 -0.164 30 20 GBED C#CCOCCC(=O)N1CCC2(C1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 1588359597 STUIHLMFSHFYPR-UHFFFAOYSA-N 383.412 -0.091 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C1 1588404242 GJLVFMYXTYRAQW-TZMCWYRMSA-N 385.432 -0.178 30 20 GBED C#CC[C@@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)O 1588407509 JEXUJVSFULAVRU-SSDOTTSWSA-N 382.174 -0.515 30 20 GBED C#CCN(CC(=O)O)CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 1588420159 OBZCIYKKZBDRFU-UHFFFAOYSA-N 395.437 -0.334 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)O)CC1 1588483957 NJQLTYLAMWMRBP-CABCVRRESA-N 385.486 -0.283 30 20 GBED C=CCOCCN1CC(N2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)C1 1588682109 BIHVIMMHDVSCFD-UHFFFAOYSA-N 386.460 -0.161 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 1593377376 FIJXXILILDVHSS-LBFFYKKLSA-N 383.368 -0.457 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCOC1 1611712032 WYOSFRWWMMXIRG-YNEHKIRRSA-N 384.462 -0.346 30 20 GBED CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccccc2CC#N)CC1 1621692568 ONJDKMFICSMTMT-UHFFFAOYSA-N 386.499 -0.392 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781044058 UZCFKHKQOXJDSC-ZTENYAIWSA-N 381.473 -0.888 30 20 GBED CCN(CC)C[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782702250 IMZRKDNIUITQCL-BEFAXECRSA-N 379.457 -0.118 30 20 GBED CN(CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)C(=O)C(=O)O 1782750733 MXPBSRYVCCEDKA-SFHVURJKSA-N 392.412 -0.947 30 20 GBED NC(=O)[C@H](N)CCC(=O)NC1(c2ccc(NC(=O)C#CC(=O)O)cc2)CCC1 1791444934 SDTSAYYURYGNFJ-CQSZACIVSA-N 386.408 -0.199 30 20 GBED Cc1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c(C)s1 1794181040 CXHWLKGAXJCZCA-IVWMJMPLSA-N 391.449 -0.020 30 20 GBED CNC(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797810742 WFUXEEAGABOJBG-VPIUVWKISA-N 396.444 -0.759 30 20 GBED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2)N1CCN(C)CC1 1799182368 PNIOMCLZKXYTSM-NXOAAHMSSA-N 389.500 -0.484 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(F)nc1)C2 1800773862 VDEIWKDRHXKUPL-HBCWATKFSA-N 389.383 -0.169 30 20 GBED COC(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825675286 XBSFHGLPNMRRIN-QMMMGPOBSA-N 380.382 -0.501 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1831391293 MPLBBQKJHKOZBD-BEFAXECRSA-N 390.440 -0.472 30 20 GBED Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)no1 1835341274 VXKPOUOUDMMPQT-GOSISDBHSA-N 389.412 -0.319 30 20 GBED COc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835354377 SKFJZCGHJNUUGM-GOSISDBHSA-N 391.428 -0.198 30 20 GBED CCc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)co1 1838138734 FZJLRMUSKJMZCC-GOSISDBHSA-N 391.380 -0.605 30 20 GBED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1839165970 BHGHFCKFSPXUEH-BBRMVZONSA-N 389.399 -0.211 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1840164822 HFVLLFGDDCEEGS-OXQOHEQNSA-N 391.468 -0.228 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1 1841892052 NFNIOFADWLTFIO-GFCCVEGCSA-N 379.417 -0.458 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCCN(C)C)CCCN(C)C)C1=O 264900631 LIOFLUZQSLQSJU-UHFFFAOYSA-N 381.477 -0.305 30 20 GBED CN1CCO[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 266238375 MBUBOAIIDMSLDE-INIZCTEOSA-N 378.454 -0.278 30 20 GBED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCNS(C)(=O)=O)cc1C#N 269820517 PRMREDKWVTZURI-UHFFFAOYSA-N 397.413 -0.269 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1=O 281314255 IQNRAPKAYJYLMG-CQSZACIVSA-N 390.444 -0.008 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCn3ccnc3)C2=O)cc1 283226288 BQZDNFCPBHGLGE-MRXNPFEDSA-N 380.408 -0.212 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](n2cccn2)C1 349509260 XMRWWEDUAMRILZ-QWHCGFSZSA-N 375.476 -0.319 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N)C[C@H]1C 349514149 ZFSBQFKHHIVBHP-UONOGXRCSA-N 380.536 -0.094 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 349552127 JNDOLBSTTYPZOM-ZIAGYGMSSA-N 395.503 -0.581 30 20 GBED Cn1ncc2c1CCC[C@@H]2NS(=O)(=O)CCCS(=O)(=O)NCC#N 349567699 NNKQZZPXJLAFQX-LBPRGKRZSA-N 375.476 -0.450 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)NCC(C)(C)O)c1C#N 349574394 MBLGEYLSTLBOFN-UHFFFAOYSA-N 379.464 -0.588 30 20 GBED C[C@@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)Nc1nc2n(n1)CCCC2 349616409 NVEZAGDQSRRPDM-NSHDSACASA-N 390.491 -0.032 30 20 GBED COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 374463914 AYYULOZKGVAKPX-KBPBESRZSA-N 396.535 -0.305 30 20 GBED CCN(CCC#N)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 409473314 CSWFIAHXTSNFQU-HNNXBMFYSA-N 395.485 -0.341 30 20 GBED CN(C)C(=O)Cn1cnc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 432946783 AYSPTUQCMLEQGN-ZDUSSCGKSA-N 384.400 0.318 30 20 GBED N#Cc1ccc([C@@H](C(N)=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 436222068 UJXNJAIEJOJODA-SFHVURJKSA-N 383.408 -0.622 30 20 GBED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 442049263 YCISWJFAQSMYGZ-JTQLQIEISA-N 393.306 -0.139 30 20 GBED C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 442329736 DZUAZHSNXCWMPB-CZUORRHYSA-N 398.423 0.447 30 20 GBED COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 457261769 LCZYPFBOCIUBCJ-OSMZGAPFSA-N 381.410 -0.640 30 20 GBED CC(=O)N1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 460586187 QSBOIFJELMKQLB-UHFFFAOYSA-N 381.396 0.077 30 20 GBED COC(=O)[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCO1 481429961 AIDPSOBMVSNQIQ-BXUZGUMPSA-N 381.410 -0.375 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@]1(O)CCN(C)C1 547289828 XSNSMTFXVRLUPL-GOSISDBHSA-N 376.413 -0.295 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCc3cnn(C)c3)CC2)c1C#N 557525478 HLQRTOVNNCWTMV-UHFFFAOYSA-N 398.471 -0.269 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCN2CCCO)c1 564167696 BPRYFQFZJNRZPU-HNNXBMFYSA-N 380.470 -0.200 30 20 GBED CS(=O)(=O)C1(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCC1 570980068 PKUURGMSHGAIHA-UHFFFAOYSA-N 385.467 -0.080 30 20 GBED COc1cc(NC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)c(F)cc1C#N 599972265 JAHKRTMCNJEPRJ-CYBMUJFWSA-N 394.403 -0.204 30 20 GBED CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc[nH]n2)cc1 656366258 NKVABPRXRXIUQM-NSHDSACASA-N 399.454 -0.342 30 20 GBED CNS(=O)(=O)CCCOC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 735965219 OVILNAPHMNQQJA-UHFFFAOYSA-N 389.455 -0.025 30 20 GBED N#CCn1cc(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 746366121 YOWJRTQCQFRZCJ-UHFFFAOYSA-N 384.356 -0.003 30 20 GBED CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2cccc(F)c2C#N)CC1 751033316 OFYGGLZSQDUHJN-UHFFFAOYSA-N 390.462 -0.447 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CCN1C1CC1 760900119 BEIPMSJIAORISN-LBPRGKRZSA-N 381.396 -0.201 30 20 GBED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CC(N)=O 763460949 VCZXTVJTIDBCMQ-UHFFFAOYSA-N 387.465 -0.847 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)CC2)c1C#N 788476070 MXWXQISIBYFIEY-UHFFFAOYSA-N 381.400 -0.666 30 20 GBED CCONC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 848942295 GPRBXCIBRGDVFJ-UHFFFAOYSA-N 390.443 -0.823 30 20 GBED C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1nc(SC)n[nH]1 848960457 BGYPSIDLYPGTAX-SECBINFHSA-N 381.505 -0.058 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCCC12OCCO2 848964170 KIHWGXWRVDLGCB-ZDUSSCGKSA-N 395.503 -0.233 30 20 GBED C#CCN(C)S(=O)(=O)CCCCS(=O)(=O)N=c1ccnc2n(C)[nH]cc1-2 848969045 UXXXHXXHJVBOTK-UHFFFAOYSA-N 399.498 -0.242 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)CC1 914863581 UFXMJZLRYQVSAN-UHFFFAOYSA-N 395.445 -0.524 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc3oc(O)nc3n2)C1 969053972 GMPHWZUDZIAKAX-XEZLXBQYSA-N 388.380 -0.179 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)co2)C1 970596370 AAHJKCFZNNVTBJ-MQYQWHSLSA-N 377.397 -0.339 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H]1C 989302400 QTEGEYRQJWMORN-OJLVUWQFSA-N 391.472 -0.023 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 1025317803 KZZGODBHUHPETA-NGFQHRJXSA-N 376.413 -0.604 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnnn1C 1109218848 YYKLMODISCXNHQ-NDBYEHHHSA-N 375.433 -0.450 30 20 GBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(CCOC)nn1 1110546020 JGJBHAGKYBUMPS-KQTLUZQSSA-N 376.461 -0.050 30 20 GBED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 1116720147 IFWUAIXNWVMSPE-STQMWFEESA-N 395.437 -0.076 30 20 GBED COC[C@@H]1CCCCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1117317503 IKNURNKDRQBISI-UWZWCOGJSA-N 378.429 -0.096 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3cccnn3)C2=O)cc1 1117481699 GASPWIBEUZGBME-MRXNPFEDSA-N 378.392 -0.118 30 20 GBED Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCN(O)C3=O)CC2)cn1C 1117737707 QKHLFUPYWMBHJR-CYBMUJFWSA-N 399.473 -0.374 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NCC#N)C1 1129854824 AMRMMTQDKFUYDY-WCVJEAGWSA-N 387.444 -0.759 30 20 GBED CN(CCC#N)C(=O)CCS(=O)(=O)Cc1nnnn1CC1CCOCC1 1255884017 RYZPNRIMBPLPKC-UHFFFAOYSA-N 384.462 -0.223 30 20 GBED Cc1ccc([C@H](CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)N2CCOCC2)o1 1256923070 HIJHMEAONWDFGX-GJZGRUSLSA-N 376.413 -0.172 30 20 GBED CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CCO1 1261323186 ZDFXOUUTILXQKF-STQMWFEESA-N 382.417 -0.511 30 20 GBED C=CCN(C(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)[C@@H](C)COC 1261623668 DFBBLWJXPCZIAC-AWEZNQCLSA-N 389.456 -0.121 30 20 GBED CC[C@@H](NC(=O)C(=O)Nc1cc(C)nn1CCC#N)C(=O)N1CCOCC1 1319439409 OXRRNWZCMDHJSN-CYBMUJFWSA-N 376.417 -0.203 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCO[C@H](c3cnn(C)c3)C2)C1=O 1326768113 OLPAXBJLNXLDDD-STQMWFEESA-N 375.385 -0.267 30 20 GBED C=CCN(C(=O)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1)[C@@H](C)COC 1327399018 DCLFJDAQUCFQLY-ZDUSSCGKSA-N 375.491 -0.082 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2CC2CC(F)(F)C2)CC1 1337217322 LOCHAHPXUOMLHP-UHFFFAOYSA-N 375.405 -0.692 30 20 GBED Cn1cnc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 1346521288 CQOSHBNUURLNCJ-AWEZNQCLSA-N 381.396 -0.780 30 20 GBED CCN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1501389809 XOLTXLLZQIGZIV-CYBMUJFWSA-N 375.433 -0.279 30 20 GBED C#CCNC(=O)[C@H](C)N1CCC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1573285773 NHLYFFJZHZCNPH-LBPRGKRZSA-N 384.444 -0.226 30 20 GBED C=CCCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575100070 LGJFLJLSTLHGAT-HNNXBMFYSA-N 392.460 -0.949 30 20 GBED Cc1c(C#N)c(=O)n(CCOc2cccc(-c3nn[nH]n3)c2)c(=O)n1CCO 1580525982 GTMODXLGIOCHJQ-UHFFFAOYSA-N 383.368 -0.559 30 20 GBED C=CCO[C@H]1CCN(C(=O)C(=O)N2CCN([C@]3(C(=O)O)CCOC3)CC2)C1 1602906894 QZKKSHGJBFMOAO-KBXCAEBGSA-N 381.429 -0.822 30 20 GBED Cn1cc(C(=O)NCC2CCN(c3cnc(-c4nn[nH]n4)c(C#N)n3)CC2)cn1 1606233095 UDMMXWKMQRHOGU-UHFFFAOYSA-N 393.415 -0.092 30 20 GBED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)n1cnnn1 1780337460 FOHFUAQAVSGXGF-SJCJKPOMSA-N 384.400 -0.422 30 20 GBED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)CCC1 1785363037 FGORHYBWSFNCJV-GOSISDBHSA-N 376.413 -0.038 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn(C)n3)[C@H]2C1 1785872393 RZFVOPUXZLSCLQ-AJNGGQMLSA-N 377.445 -0.001 30 20 GBED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1788472637 DVBCVSQHOKGUNO-PWNZVWSESA-N 394.428 -0.666 30 20 GBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2c(O)nnc12 1796289567 RUFSXOHUIVJBPA-HNCHTBHHSA-N 391.453 -0.044 30 20 GBED C[C@@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797811280 JSCGNMLVIKPILB-ZTOXMCBWSA-N 382.461 -0.300 30 20 GBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1800984040 GHNJBIXPTNGHJC-DYNIEEOBSA-N 393.469 -0.852 30 20 GBED C[C@H](C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1)n1cnnn1 1813472014 HDOYOFUNIZVAFE-HACGYAERSA-N 397.395 -0.577 30 20 GBED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831218719 CYZFJFVTYUABOZ-OXJNMPFZSA-N 389.452 -0.523 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cncn4)CCO3)C2)CCC1 1836141196 BPPWPHWSQVCCGD-SFHVURJKSA-N 388.428 -0.572 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839085189 ZZDSBWYJMFPYRH-FTRWYGJKSA-N 389.452 -0.523 30 20 GBED Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cn1 1840041259 ANFOPZVDRDUXMB-IBGZPJMESA-N 387.392 -0.452 30 20 GBED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)n1cncn1 1840416987 BTATVIUFELMNDM-KSSFIOAISA-N 388.428 -0.401 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)OCC)C2)C1 1840841436 ZDQUHDFNVLDLOH-UCFODXPJSA-N 378.425 -0.025 30 20 GBED C=CCc1ccc(OC[C@H](O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)c(OC)c1 268983937 DWNZEGWXTUDHDN-JKSUJKDBSA-N 389.452 -0.194 30 20 GBED CCOC(=O)c1cnn(CC(=O)c2c(N)n(CCOC)c(O)nc2=O)c1C#N 272418066 MXLKKTXHXBRRAQ-UHFFFAOYSA-N 390.356 -0.695 30 20 GBED Cn1cc(N2CCC[C@@H](/N=C(/O)N3CCc4c(ncn(C)c4=O)C3)C2=O)cn1 330113560 SGBGDEBLLRFXBF-CQSZACIVSA-N 385.428 -0.019 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(CCN2C(=O)CNC2=O)CC1 332320105 VRDKSDSPRXVRJN-UHFFFAOYSA-N 377.426 -0.584 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CCO1 460579655 UUFRMLXBJYSCJN-ZDUSSCGKSA-N 398.379 -0.214 30 20 GBED Cc1ccc(C(=O)N2CC(OCC(=O)N(C)C)C2)cc1S(=O)(=O)NCC#N 482230736 KSIKOKHFWGWUCX-UHFFFAOYSA-N 394.453 -0.274 30 20 GBED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)N(C)CCC#N)C1 486624975 CCCMMIBATVTUIR-CYBMUJFWSA-N 382.508 -0.551 30 20 GBED Cc1ccc(C(=O)NCCN2C(=O)CNC2=O)cc1S(=O)(=O)NCC#N 499958175 QTXHDVZNQCTLIN-UHFFFAOYSA-N 379.398 -0.922 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)Nc1cnn(CC(=O)N2CCN(C)CC2)c1 510339418 VNNAIXBFDRKPFX-CYBMUJFWSA-N 383.478 -0.452 30 20 GBED N#Cc1cn(C2CN(C(=O)NCCn3c(=O)oc4ccccc43)C2)c(=O)nc1O 527732012 ZLQXHGWUDMSFFI-UHFFFAOYSA-N 396.363 -0.005 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCCn2ccnn2)cc1 568252300 NRYIMAVAEMFRFP-LBPRGKRZSA-N 398.470 -0.163 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)NC2CC2)c1 658916602 YXDCQNTVMMECNZ-SNVBAGLBSA-N 383.426 -0.263 30 20 GBED N#Cc1cnn(CCOC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1N 731772168 SYVUUEQUHXXKGU-UHFFFAOYSA-N 375.366 -0.275 30 20 GBED Cc1ccc(S(=O)(=O)NN=Cc2c(N)n(C)c(=O)n(C)c2=O)cc1[N+](=O)[O-] 749807860 PPUPDPDSUFKWSP-UHFFFAOYSA-N 396.385 -0.805 30 20 GBED Cc1nc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cn1C 750621272 SWRCRSMLRWHQAV-BDJLRTHQSA-N 399.473 -0.007 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OC)c2)c1=O 758069409 SPOXPXASGHDBKG-UHFFFAOYSA-N 397.456 -0.183 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cnc(Cl)c(OC)c2)CC1 767761198 BGTWYOIHFTZMHP-UHFFFAOYSA-N 386.861 -0.201 30 20 GBED COCC[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(N)=O 775971878 LJHYMGPPOKOTKF-PWSUYJOCSA-N 382.442 -0.490 30 20 GBED N#CCOc1cccc(CC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 787998190 JECWPCWCNMICNF-DLBZAZTESA-N 393.465 -0.566 30 20 GBED C#CCn1ccc(CN(CCOC)S(=O)(=O)CCNS(=O)(=O)CC)n1 788693937 ILYDCTYCCMWQEI-UHFFFAOYSA-N 392.503 -0.766 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@]12CCOC2=O 848958232 WKPIPTOPQKEMBZ-CQSZACIVSA-N 393.487 -0.337 30 20 GBED COC(=O)COCCNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 862953607 SNEOHFUUKPTRIX-NSHDSACASA-N 383.426 -0.191 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@H]1OC 946818551 HBZRAAQXKWZBSU-LVQVYYBASA-N 390.440 -0.434 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@@H]1O 964614090 XAVMKQNLYZSOTL-RZFFKMDDSA-N 376.413 -0.604 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 965494985 NLIXKSJAAVVRFF-CBBWQLFWSA-N 393.440 -0.950 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@H]1c1cnn(C)c1 982351148 KHVBZUHUQORRRC-CLWVCHIJSA-N 385.428 -0.146 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@H]1O 1025712527 PFLXKXUDGLOKCC-GBOPCIDUSA-N 376.413 -0.694 30 20 GBED C=CCCOCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1040529192 WGKVIMGLDGHPNF-BVYOLEPJSA-N 382.457 -0.290 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 1058853320 BRCMSXXQXQYVFP-QXSJWSMHSA-N 381.473 -0.194 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCNC(=O)NC 1109235116 KTHKBDJLTMOFCG-ILXRZTDVSA-N 378.477 -0.211 30 20 GBED C=C(CNC(=O)C(C)(C)S(C)(=O)=O)CNC(=O)C(C)(C)S(C)(=O)=O 1118737636 FQAHBZVKHFPBHV-UHFFFAOYSA-N 382.504 -0.579 30 20 GBED COc1ccc(CNC(=O)C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1C#N 1119548426 XDTUUZQYWLVGDZ-ZDUSSCGKSA-N 394.453 -0.419 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)nn1 1261447834 HRPUUZOORUZJJF-DDHJSBNISA-N 398.423 -0.996 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1CCCN1CC(F)(F)F 1262284026 AWXHKKLOZWPKOO-NSHDSACASA-N 385.408 -0.154 30 20 GBED C=CCn1c(C2CCN(CCO)CC2)nnc1N1CCO[C@H](C(=O)NC)C1 1262966352 INHXEYNQQLBASJ-HNNXBMFYSA-N 378.477 -0.413 30 20 GBED Cc1cc(N2CC[C@H](NC(=O)C(=O)NC3CCN(CC#N)CC3)C2=O)n(C)n1 1323254001 IMAGNZNRNQQWAC-AWEZNQCLSA-N 387.444 -0.946 30 20 GBED CNC(=O)CCCN(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1323634354 YJGONZPNJLQTBF-INIZCTEOSA-N 399.451 -0.240 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCc2nc(COC)nn2C1 1323850223 KMZXBVVTNVYLEO-XEZPLFJOSA-N 377.445 -0.047 30 20 GBED N#CCN1CCN(C(=O)c2ccc(C(=O)N3CCN(CC#N)CC3)nc2)CC1 1324045066 FNDGUYGWOZDTLX-UHFFFAOYSA-N 381.440 -0.356 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC(N(CC)S(C)(=O)=O)CC1)[C@H]1CCCO1 1329626986 SDPBGXFGVWUACV-LSDHHAIUSA-N 385.486 -0.444 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCSC[C@@H]1c1cnn(C)c1 1343311334 KDALNNYFHHTBHS-CYBMUJFWSA-N 386.499 -0.246 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2[C@H]2CC[C@@H](SC)C2)CC1 1352558030 NDUPTJQVYXIENO-QWHCGFSZSA-N 385.519 -0.281 30 20 GBED C#CCN1CCC(N(Cc2cnn[nH]2)C(=O)CN2CCCS2(=O)=O)CC1 1574985439 CLLQCBPDMHPQKE-UHFFFAOYSA-N 380.474 -0.734 30 20 GBED CC#CCCCC(=O)N1CCC[C@@](CO)(NCC(=O)NCc2cnn[nH]2)C1 1575117355 LVVVFZDKOPZFHM-GOSISDBHSA-N 376.461 -0.442 30 20 GBED COCCN(Cc1ccc(-c2nn[nH]n2)cc1)c1[nH]c(=O)n(C)c(=O)c1C#N 1579811896 CNJDKRFDBOSIMZ-UHFFFAOYSA-N 382.384 -0.222 30 20 GBED C#CCO[C@H](C)C(=O)N[C@]1(CO)CCCN(c2cnc(-c3nn[nH]n3)cn2)C1 1588355708 LNCVVIGQOBGTDU-SJKOYZFVSA-N 386.416 -0.858 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@H]2[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C1 1588358869 VWIMRUAGQLOKNN-ZRJCITRHSA-N 383.412 -0.333 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)NC[C@@H]1CNCCCO1 1588638678 HFXGPRYEPZKZOU-INIZCTEOSA-N 399.455 -0.124 30 20 GBED C=CCn1cc(C(=O)NCC2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nn1 1588713817 VIQMBIPONWILAY-UHFFFAOYSA-N 382.388 -0.526 30 20 GBED N#Cc1cc(C(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)c[nH]1 1592687896 NQXRZIHSILUTGV-LBPRGKRZSA-N 380.372 -0.508 30 20 GBED CC(C)C#CC(=O)N1CC2(C[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CO2)C1 1603189444 LVQFIRZPIBBWEY-ZDUSSCGKSA-N 383.412 -0.046 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCO1 1761502046 LRZLKQPILWBJTQ-JHJVBQTASA-N 384.462 -0.204 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779086108 YZMGYEWVUNCZLR-RDTXWAMCSA-N 380.445 -0.983 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781098400 ZHJZIIHENHVIFO-PXNSSMCTSA-N 376.501 -0.134 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21 1784474788 OTCLLHIIRDWKGD-WOYTXXSLSA-N 391.468 -0.469 30 20 GBED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1786859901 LFLLQYVLWSAERV-KKUMJFAQSA-N 390.440 -0.664 30 20 GBED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@](C)(O)CC(=O)O)[C@H]2C1 1791286958 GZTIHVBMLSZIKY-VIMZNKNYSA-N 388.486 -0.100 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2 1793353732 FEYQLAGLQQHRRF-HGTKMLMNSA-N 381.429 -0.381 30 20 GBED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795358280 AVMIZEXECAMBAV-XCCSTKFXSA-N 378.516 -0.425 30 20 GBED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H](O)CN2)c1 1799141161 JUQZGEGKADGMDH-ADHGMGHFSA-N 384.436 -0.516 30 20 GBED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)ccc1F 1799326824 HVTZUGLHHWBZER-YVWYUNDQSA-N 399.378 -0.083 30 20 GBED Cc1nn(C)c(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800781132 IWKDMDRCZOSVJR-HBCWATKFSA-N 388.424 -0.743 30 20 GBED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(N)=O)cc1 1802165469 QUVKLVYTMJWVDZ-SCAQPMJSSA-N 385.424 -0.376 30 20 GBED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)[C@@H]2c2cccnc2)CC1 1806846923 HXAOLNVPUKRFGL-YQQAZPJKSA-N 398.467 -0.016 30 20 GBED C#CC(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807358386 FNMHIVMJOKEBFF-CXAGYDPISA-N 391.391 -0.235 30 20 GBED CN[C@H](CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)C(=O)O 1830056157 OVLRHZMUKDSKFD-ACJLOTCBSA-N 396.444 -0.945 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(C)C(=O)OC(C)(C)C)CCO2 1835212539 BEDKOQVJZJPJAY-IBGZPJMESA-N 395.456 -0.057 30 20 GBED COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1835248141 JRDWWXHBOGEHJH-BBRMVZONSA-N 376.475 -0.576 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1835359935 QIAOSNNJANSKLN-INIZCTEOSA-N 392.372 -0.308 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835503620 DNYBHJBGMNLVGJ-SUMWQHHRSA-N 398.485 -0.892 30 20 GBED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)C(O)O)CC2)CC1 1835778586 RJRSMMJEIMRUBR-UDWIEESQSA-N 392.456 -0.419 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc(O)[nH]4)CCO3)C2)CCC1 1838072709 AAWJIGZOJINGNC-SFHVURJKSA-N 389.412 -0.121 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC=CCC1)CCO2 1839129525 ACPJXFVZKMTFAB-HNAYVOBHSA-N 376.409 -0.113 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1840164295 FGARYAJZBUKZOK-DCGLDWPTSA-N 385.486 -0.713 30 20 GBED CS(=O)(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)nc1 1846194977 MNZBXNCMGSOGMU-UHFFFAOYSA-N 391.405 -0.610 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCOC 255697926 XOYFPLLRRMMTFX-UHFFFAOYSA-N 391.424 -0.047 30 20 GBED CN(C)C(=O)CN/C(=N/C[C@H]1CCOC1)N1CCN(c2cnn(C)c2)C(=O)C1 262318056 RFMYSORWQBKJES-CQSZACIVSA-N 391.476 -0.861 30 20 GBED C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ncn(CC(=O)NC)n1)C(C)C 272945273 POXSRTLKKOLSLV-CQSZACIVSA-N 391.476 -0.223 30 20 GBED N#Cc1cc(F)c(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(F)c1 274651577 DNDAQYSDGJAVET-KGLIPLIRSA-N 385.392 -0.248 30 20 GBED CCOC(=O)C(=O)c1cc(S(=O)(=O)NCCn2cnc(C#N)n2)cn1C 286674298 KURWHFWYLBDFSK-UHFFFAOYSA-N 380.386 -0.787 30 20 GBED C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 297603433 ADMIWJVTCRUZAD-ZBFHGGJFSA-N 387.440 -0.400 30 20 GBED CN1CCO[C@@H](C/N=C(/O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1 329126523 YNRWEKGHERBATQ-AWEZNQCLSA-N 383.474 -0.368 30 20 GBED Cc1ccc(C(=O)N2C[C@@H]3OCCN(C)[C@@H]3C2)cc1S(=O)(=O)NCC#N 332201886 IBCIHYYHKVOSOO-CABCVRRESA-N 378.454 -0.048 30 20 GBED CCN1C(=O)[C@H]2CN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CCN2C1=O 362305256 JZQLWMCZPFRVAH-HZPDHXFCSA-N 390.488 -0.353 30 20 GBED COC(=O)CN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 485054969 ODRNSSSHBMPXKM-UHFFFAOYSA-N 394.453 -0.482 30 20 GBED CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CCO1 521696260 BDFGFZMYYNPWBQ-CYBMUJFWSA-N 383.368 -0.949 30 20 GBED CC(=O)N1CCN(C(=O)[C@@H](C)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 530361102 STDLOGLXXOMEHV-OAHLLOKOSA-N 387.488 -0.199 30 20 GBED CC1=NNC(=O)[C@H]1CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 532219089 MKJUDBCACZAZSX-FZMZJTMJSA-N 377.426 -0.147 30 20 GBED Cn1nc2c(cc1=O)CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC2 566371298 XGABDBYFXVPGKN-UHFFFAOYSA-N 387.421 -0.485 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)C1=O 570071121 LBOXQQMCMGANSP-NEPJUHHUSA-N 376.379 -0.016 30 20 GBED CNC(=O)C1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C1 570688458 ZNLJEHSBRPJMKM-SNVBAGLBSA-N 378.410 -0.485 30 20 GBED CN(C1(C#N)CCC1)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 594637907 VMMLLOYKOXBMAQ-WDNDVIMCSA-N 391.515 -0.416 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](C#N)CO)o1 597743960 KMBRSAZQRMTSEK-QWRGUYRKSA-N 385.398 -0.390 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1CC(N)=O 608911794 PWHTUTBSFNMLDA-UHFFFAOYSA-N 398.488 -0.013 30 20 GBED C[S@](=O)CCN1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 741142563 WPACLPOGJSVJQT-VWLOTQADSA-N 397.522 -0.004 30 20 GBED N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCC1 771073327 HIRWPBOAVBMJJK-WFFHOREQSA-N 381.410 -0.711 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](C)n3cnc(C#N)n3)CC2)o1 798746118 OQANCZAIBJCFLE-LLVKDONJSA-N 398.383 -0.229 30 20 GBED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H](C#N)C1 800075154 ZWIXPXZGOCZVRZ-QWHCGFSZSA-N 385.446 -0.100 30 20 GBED N#Cc1ncn(CCNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1 805823713 MJNKWLMLFVNJLA-UHFFFAOYSA-N 384.400 -0.103 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)CCO1 828138613 CMXAOPZTJNJYPO-GHMZBOCLSA-N 384.380 -0.011 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NC2(C(=O)NCCOC)CC2)cc1 838349490 NNAHFPTXCMHPJT-UHFFFAOYSA-N 379.438 -0.377 30 20 GBED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN2CCNCC2=O)c1 843390636 DRKHNLBIBHHPJG-HMMYKYKNSA-N 393.469 -0.130 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 850711609 WNASWMMMPYHMLS-UHFFFAOYSA-N 399.455 -0.490 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(OC)c2OC)CC1 906913013 QPMYEXDMZWKXED-UHFFFAOYSA-N 381.454 -0.241 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)C4)C[C@@H]32)c1 960197924 VDKQJGGLKURFFF-BFJAYTPKSA-N 385.424 -0.160 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@@H]1O 964517611 GHMNHEYABOBWOH-IVSAIRAKSA-N 375.425 -0.332 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2c(OC)ccnc2OC)C1 969300377 MRKXHJQDKBIMLB-MQYQWHSLSA-N 391.424 -0.009 30 20 GBED N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCS(=O)(=O)N2)[nH]1 1002086492 XCRPYMNAYDKBAH-ZRJCITRHSA-N 377.426 -0.560 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 1005972046 OLOAWSJKDYJSFI-UHDSXZAQSA-N 382.420 -0.043 30 20 GBED CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 1093050659 BEUVOJNUITUQOW-UPJWGTAASA-N 378.458 -0.098 30 20 GBED CCC(=O)N1CCC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)C1 1109314745 XJLSQIOTRGKEKZ-FZKCQIBNSA-N 375.473 -0.004 30 20 GBED Cn1c(C2=NC(=O)NC(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1122910768 DHPPUDYTYWATJM-UHFFFAOYSA-N 379.384 -0.163 30 20 GBED C=CCOCCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1c1cn(C)cn1 1130672635 VLHFUARZLQLAQE-PQEBFOHHSA-N 391.472 -0.460 30 20 GBED Cn1nccc1[C@@H](O)C1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1148574365 VDCRZQNTSPWCTR-INIZCTEOSA-N 386.412 -0.084 30 20 GBED C#CCCN1CCC(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 1252256242 MMYBTDVMSOLSOB-GOEBONIOSA-N 381.498 -0.374 30 20 GBED CN(C)C(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1314639313 KVULWMJXSFNWPI-STQMWFEESA-N 396.473 -0.613 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)c3ccnc4c(C(N)=O)cnn34)CC2)c1C#N 1320988063 AONJPRRJSXVHHG-UHFFFAOYSA-N 393.411 -0.296 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 1331106912 NDIAINGLDJHYMI-CQSZACIVSA-N 390.484 -0.262 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCc2ccccc2[C@H]1CO 1342098781 NYIFFTUPQKYJIX-ZDBRSUKYSA-N 398.419 -0.253 30 20 GBED C=CCn1c(C[C@@H](C)O)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1355961118 SEAHWLHESVWLOY-OAHLLOKOSA-N 378.477 -0.632 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn[nH]1 1575109141 VQJGVONBZQYIAK-LLVKDONJSA-N 394.461 -0.763 30 20 GBED CCN(CCC#N)C(=O)CNC1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1577909579 YVLYNDOENAEUAG-UHFFFAOYSA-N 385.432 -0.191 30 20 GBED C#CCN1CCC(C(=O)N2CC(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC1 1588351675 DWQQGZSXZXNTBJ-UHFFFAOYSA-N 382.428 -0.519 30 20 GBED COC(=O)c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CC[C@](O)(CC#N)C1 1591285863 QXXRFIJUNOQUEW-OAHLLOKOSA-N 392.397 -0.308 30 20 GBED C=CCCOCC(=O)N[C@@H]1CN(c2cc(-c3nn[nH]n3)nc(CC)n2)C[C@@H]1O 1602845268 ZYGLHNRIDQAFRJ-OLZOCXBDSA-N 388.432 -0.523 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 1602984345 XCSJCINLVJYLBY-GFCCVEGCSA-N 391.461 -0.280 30 20 GBED CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](C)C#N 1711418325 XSWVNHBIMZJKAO-LBPRGKRZSA-N 383.478 -0.341 30 20 GBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)C1 1781048696 ACKSHIQGSXPCBD-ACWOFJMJSA-N 395.456 -0.023 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)no1)C2 1782013576 XQONIOJAQVLMCE-SJKOYZFVSA-N 377.353 -0.404 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccn3ccnc13)CCO2 1783563811 ALGBRNXLCCDNFP-LJQANCHMSA-N 382.376 -0.134 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2 1797704187 KVFOPZZLKWPQMO-XGYYKPKNSA-N 393.484 -0.325 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)C=C 1797939312 DYODGASGTKBJRK-SVZOTFJBSA-N 377.441 -0.695 30 20 GBED Cn1nncc1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812875047 QOBUKHADIZANMD-DYVFJYSZSA-N 382.380 -0.382 30 20 GBED Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1839713462 NARUXIIAVJWHSM-SFHVURJKSA-N 375.429 -0.048 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1840843027 PIUDGXSOLVAFSH-APWZRJJASA-N 395.456 -0.993 30 20 GBED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CNC3=O)C2)c1 1841848185 VFLGAFVRQCYFPQ-UHFFFAOYSA-N 381.392 -0.073 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842874119 CRXKUESEJUMFGX-GFCCVEGCSA-N 389.389 -0.512 30 20 GBED C/N=C(/NCCN1CCN(C(C)=O)CC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 262603117 ZFYUPQQGFXYWSE-KRWDZBQOSA-N 394.520 -0.951 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)Sc2nnnn2C2CC2)CC1 264187394 PPJPLZKDAKTBEB-ZDUSSCGKSA-N 391.501 -0.228 30 20 GBED Cn1cc(S(=O)(=O)N(CC(=O)O)Cc2cccc(C#N)c2)c(=O)n(C)c1=O 275147089 RAJHLKNCEAJRAP-UHFFFAOYSA-N 392.393 -0.769 30 20 GBED COCCCS(=O)(=O)NCC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 292270877 SEUJXOPYYQDGEC-AWEZNQCLSA-N 382.442 -0.111 30 20 GBED CO[C@@H]1COC[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)C#N 349474765 VVMXCTUZVRHFMS-QJPTWQEYSA-N 389.455 -0.431 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(C#N)cn2)C[C@@H]1O 349519951 IUFICZPAFBLMKU-AAEUAGOBSA-N 388.471 -0.273 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CCOC1 349601160 JIMZJVACDSYGPK-QWHCGFSZSA-N 397.544 -0.397 30 20 GBED Cn1cc(S(=O)(=O)N2CC(Oc3ccc(C#N)cc3)C2)c(=O)n(C)c1=O 373423555 UWTZXQYDTYGIKW-UHFFFAOYSA-N 376.394 -0.592 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 409501178 LHETXBOOAWUNAM-QWHCGFSZSA-N 382.508 -0.457 30 20 GBED CN(CC(=O)Nc1cnn(CC(N)=O)c1)S(=O)(=O)c1ccc(C#N)cc1 409716178 AJCXVXQEJIMIDF-UHFFFAOYSA-N 376.398 -0.501 30 20 GBED C=CCOC[C@H](NC(=O)c1cc(OC)c(S(N)(=O)=O)s1)C(=O)OC 435932650 ALGKFAMRNLQBNW-QMMMGPOBSA-N 378.428 -0.122 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nc(N(C)C)no1 505896357 QVYOYIYNWURRAO-SNVBAGLBSA-N 378.414 -0.010 30 20 GBED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508912023 JPKXZBZEXPNERM-LBPRGKRZSA-N 396.411 -0.742 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(=O)NC)cc1 518121858 WJZXZXWWFNJXGS-UHFFFAOYSA-N 382.442 -0.316 30 20 GBED CCN(CCC#N)S(=O)(=O)NCCNS(=O)(=O)N(CC)CCC#N 548820052 UYXTUQWIGZUYIP-UHFFFAOYSA-N 380.496 -0.874 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 553356227 SUSBXBBODQPBLU-AHCXZYCDSA-N 395.419 -0.236 30 20 GBED CC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 561661730 DVVIDHVHRHUKST-CYBMUJFWSA-N 384.371 0.559 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CC#N)CC2)cc1 563424436 RFQWLBPKPFLKEA-ZDUSSCGKSA-N 397.482 -0.293 30 20 GBED C=CCOC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NCC)C(=O)O 581368058 ILEJEOKLBWWJRO-LLVKDONJSA-N 392.455 -0.081 30 20 GBED CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 601425695 UCSJJXHKZZUVJV-MRXNPFEDSA-N 392.504 -0.897 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(OC)c(OC)cc2F)CC1 728589922 NIJGHNXURIYSSZ-UHFFFAOYSA-N 399.444 -0.101 30 20 GBED N#CCNC(=O)COC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 731232785 AHKBVYPEKFXHBC-UHFFFAOYSA-N 397.409 -0.301 30 20 GBED COC(=O)CNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767681019 PKIZBWPHXZUKPB-SNVBAGLBSA-N 383.382 -0.943 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N2CCN(CC)CC2)C1=O 783354236 GZPVFODHOURUSM-LBPRGKRZSA-N 380.401 -0.941 30 20 GBED C=C[C@@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 814541071 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C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(C)nn1 1110518624 TUXSTCDEOYBVSY-BYNQJWBRSA-N 375.433 -0.450 30 20 GBED CC[C@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCOCC1 1116227818 VIBGIWVJUZRBJJ-VCHHOEMESA-N 379.417 -0.551 30 20 GBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@@H]1n1ccnn1 1129898351 REBDZQDCRFRYMN-XOUADPBQSA-N 384.444 -0.551 30 20 GBED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1ccccc1C#N 1318280594 OEMKJFLRXNGHHU-ZDUSSCGKSA-N 378.410 -0.510 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCNC(=O)c2cccs2)CC1 1321484146 CMDKKIHGQFXLPP-UHFFFAOYSA-N 390.465 -0.418 30 20 GBED CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1322962149 MYNXMVCRWSJFND-OVZRNVPMSA-N 389.456 -0.286 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 1323357932 WKIAOJONASUADH-UHFFFAOYSA-N 380.514 -0.374 30 20 GBED CCOC(=O)CS(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1325503025 ZRLDNWBQWBPXRA-GFCCVEGCSA-N 379.394 -0.080 30 20 GBED CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cn1 1326543760 BDAXJKDLAKQFJU-PNAUOSDKSA-N 393.469 -0.588 30 20 GBED O=S1(=O)CC[C@H](NN=Cc2ccc(C=NN[C@@H]3CCS(=O)(=O)C3)cc2)C1 1328385000 VQKNCUCPJCEVAG-IYBDPMFKSA-N 398.510 -0.092 30 20 GBED C#CC1(O)CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 1333724789 NNTOXZSXJJHVCG-OAHLLOKOSA-N 386.456 -0.329 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCN(C)C(C)(C)C1 1336365807 WRIULFBALIGLRS-AWEZNQCLSA-N 385.472 -0.062 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1COc2c(cccc2OC)C1 1346105839 RUAWJBSAMTXADD-CYBMUJFWSA-N 382.438 -0.168 30 20 GBED C=CCN(C(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O)[C@@H](C)COC 1350166370 GADCFNHAPUPEDC-ZDUSSCGKSA-N 399.469 -0.119 30 20 GBED CNC[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1350352818 CMLJOVHYAXFLHJ-CYBMUJFWSA-N 393.469 -0.885 30 20 GBED C=CCn1c(C2CCN(CCO)CC2)nnc1N(C)CC(=O)N1CCOCC1 1356018899 GSRSUSAMYMISLA-UHFFFAOYSA-N 392.504 -0.069 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3COC[C@@H]3O)CC2)cc1 1470951533 VBNNIGFSDRIUSU-CVEARBPZSA-N 379.438 -0.165 30 20 GBED N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCOC2)C1 1555986464 LNHKRXVPWQEIQC-SJORKVTESA-N 378.408 -0.006 30 20 GBED C#CCO[C@@H](C)C(=O)N(CCNC(=O)[C@@H]1CCCN1Cc1cnn[nH]1)C1CC1 1575004903 PJIJLTGPSBGLLK-YOEHRIQHSA-N 388.472 -0.085 30 20 GBED C=CCn1cc(C(=O)N2CCCC[C@@H]2CNCC(=O)NCc2cnn[nH]2)nn1 1575112693 WNIKNZJKARYZBL-CQSZACIVSA-N 387.448 -0.517 30 20 GBED C#CCCCCNC(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 1588345806 LNPLUHKSLMBYHT-UHFFFAOYSA-N 382.428 -0.170 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CNCc1ccc(F)c(-c2nn[nH]n2)c1 1588358703 ZVCMCWNRBXPWPP-YPMHNXCESA-N 376.392 -0.389 30 20 GBED N#CCNC(=O)CNC1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCCC1 1592678471 YCGAWRXNOFUOTM-UHFFFAOYSA-N 385.432 -0.143 30 20 GBED N#Cc1ccc(C(=O)NCCOCCCN=c2cc[nH]c(-c3nn[nH]n3)n2)[nH]1 1592690597 KSBGQDJEZGENCC-UHFFFAOYSA-N 382.388 -0.473 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2cc(C)ncc2-c2nn[nH]n2)C[C@H]1O 1602721256 BTQKFNMLWWZDFF-HLLBOEOZSA-N 396.455 -0.667 30 20 GBED CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)C#N 1617392968 ODXHWSXTKPIVOB-NWDGAFQWSA-N 383.478 -0.236 30 20 GBED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCOC2)CCOC1 1728817384 LYHUTQUYZFICHZ-JCGIZDLHSA-N 393.444 -0.190 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781098403 ZHJZIIHENHVIFO-XLIONFOSSA-N 376.501 -0.134 30 20 GBED C=C(C(=O)N1CC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1)C(F)(F)F 1783203119 SZSIRDIYBUAMRR-IAQYHMDHSA-N 392.378 -0.472 30 20 GBED CC(=O)O[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C(C)C 1783564361 JGTNLJSKYXHKAV-FUHWJXTLSA-N 380.397 -0.508 30 20 GBED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CNC(N)=O)C3)C2)c1 1785630750 ZBKFZOGRESBFFB-LJQANCHMSA-N 385.424 -0.022 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@H]2C1 1786893899 OWWNODCYIDYUTK-GVRJEKJASA-N 397.472 -0.380 30 20 GBED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1791264530 RICTWHIMBLHZAV-VOAKCMCISA-N 396.469 -0.141 30 20 GBED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C[C@@H]21 1791273133 PZQGZWNGZCVETP-AJNGGQMLSA-N 387.502 -0.130 30 20 GBED CNC(=S)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795411085 PPEZPKZODDPWHE-DABQJJPHSA-N 379.486 -0.636 30 20 GBED C[C@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797815225 KYKBMSGTCQTCCN-JMIZBKKASA-N 396.444 -0.761 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1799307055 YTYJPXOKAWEJNC-FVCICTRLSA-N 378.381 -0.827 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1800450793 NYFYWLMHIDXASI-XYYYAOKXSA-N 399.447 -0.611 30 20 GBED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1831210054 XMFSFJCMTMABPS-HXUWFJFHSA-N 385.420 -0.197 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CN)CCO2 1835531992 UVRCIGMKIARCKO-KXBFYZLASA-N 397.472 -0.453 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1840043965 FJRBHYSMCJLYJB-ZOJXTTQQSA-N 394.424 -0.918 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@H](O)NC(=O)OCC)C2 1845188558 FYTJCTVLRXWTPG-AWEZNQCLSA-N 397.428 -0.236 30 20 GBED CN(C)C(=O)CN/C(=N\CCNS(C)(=O)=O)N1CCC2(CCOCC2)C1 262311201 PSQHEQZHIIPGCK-UHFFFAOYSA-N 389.522 -0.928 30 20 GBED COCCn1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n1 268210685 BUSGTQSSEMNBLY-ZDUSSCGKSA-N 398.427 -0.133 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@H](CC)C(=O)N1CCOCC1)c1cc[nH]n1 276565208 JOFBFOZDIKKDET-GHTHLWOPSA-N 395.416 -0.553 30 20 GBED COCCOCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 284186674 KIXZWNOUKRMINO-MRXNPFEDSA-N 388.424 -0.445 30 20 GBED CN1C(=O)[C@]2(CCN(/C(O)=N/[C@@H]3CCCN(c4ccn(C)n4)C3=O)C2)N=C1O 329572325 UYXCAUWOTZYXLT-PIGZYNQJSA-N 389.416 -0.340 30 20 GBED Cn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 330495215 QKUIQMOTPDLZEU-UHFFFAOYSA-N 395.466 -0.013 30 20 GBED N#Cc1cccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 331999480 XYLXFISJAFRNQP-MRXNPFEDSA-N 390.465 -0.381 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 349481724 ODMDIDHAHBZFPL-AVGNSLFASA-N 385.467 -0.120 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1=O 366855661 XPAHLWNVFBPJHF-SCLBCKFNSA-N 392.456 -0.153 30 20 GBED CC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 422148461 XTKKYUTWJBYDJB-QZTJIDSGSA-N 383.452 -0.040 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)CC(C)(C)CC#N 451385378 SCAZEYHUWZLATH-GFCCVEGCSA-N 375.447 -0.364 30 20 GBED COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)CC2(C#N)CC2)C1 486639253 JWAMZUDXGHZSBY-ZDUSSCGKSA-N 379.504 -0.008 30 20 GBED COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3ccc(C#N)cc3OC)C2)nn1 527156060 HRJGBGGSUCKNFX-UHFFFAOYSA-N 384.352 -0.033 30 20 GBED C=CCN(CCOC)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 550826307 OTJIOVKAGHVTQF-UHFFFAOYSA-N 376.461 -0.624 30 20 GBED C=CCn1cc(CNC(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)nn1 583318935 PQDRUJWBDSCKON-HNNXBMFYSA-N 391.476 -0.461 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)nc1 608884030 QAELGVOOBYTQEZ-UHFFFAOYSA-N 396.432 -0.715 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 646955209 PCPDBZIYSYHCCE-AWEZNQCLSA-N 379.438 -0.044 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@H](CN3CCCC3=O)C2)C1=O 658675888 CPYHWVSHUGBMCJ-LSDHHAIUSA-N 376.457 -0.297 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCC(=O)c2ccccc2)C1=O 728099918 JXIBAWSTBOAFQF-UHFFFAOYSA-N 387.348 -0.495 30 20 GBED C#CCNC(=O)CN1CCN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1 728566854 JBTDQCGXJSGGPT-UHFFFAOYSA-N 395.441 -0.626 30 20 GBED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nn[nH]n1 732158130 UCWXUTGNFBCWET-LLVKDONJSA-N 377.430 -0.031 30 20 GBED CN1CCC[C@@H]1C(=O)N1CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 755027777 VZZQQJXPUSSODG-OAHLLOKOSA-N 377.470 -0.052 30 20 GBED C#CCNS(=O)(=O)N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1 761036769 JBMYXYOOSXOHGO-UHFFFAOYSA-N 390.465 -0.242 30 20 GBED CCNS(=O)(=O)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 765475212 KCMZHZWXRUMGAP-LLVKDONJSA-N 388.471 -0.719 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N1CCCC1=O 767630048 XZPKWRXNRXDMCF-NSHDSACASA-N 379.394 -0.083 30 20 GBED N#CC(C#N)=c1sc(=Cc2ccc(-c3nn[nH]n3)o2)c(=O)n1C[C@H]1CCOC1 826379551 VFVUYFWJXXOLHU-SNVBAGLBSA-N 395.404 -0.254 30 20 GBED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CNC[C@H]2C#N)C1 834500327 SBGUTNOQNWHXQR-MJBXVCDLSA-N 380.474 -0.345 30 20 GBED N#CCCN(CCC#N)C(=O)COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 844201807 TXOGDADWAWLAIP-UHFFFAOYSA-N 392.397 -0.845 30 20 GBED C#CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(N(C)C)n[nH]2)cc1 848941682 ZACULNIHDMKQHP-UHFFFAOYSA-N 398.470 -0.075 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCC2(C1)OCCO2 848959258 CVOMNPSYIWYSED-UHFFFAOYSA-N 381.476 -0.670 30 20 GBED C[C@H](OC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)C(=O)N(C)CCC#N 920605389 OUYMSWVHIYOVNY-JTQLQIEISA-N 375.385 -0.507 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1OC 946822204 KBMRCQPWNQUKTI-GUIRCDHDSA-N 377.397 -0.075 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)C[C@@H]1O 964476605 MNMHRCIADSQAEV-GUSZCTEKSA-N 390.440 -0.454 30 20 GBED N#Cc1cnc(N2CCNC(=O)CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)cn1 1039672785 QWWLRBHRCVFKDH-LCEIHVTHSA-N 396.451 -0.073 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC(=O)NCC 1109180869 TVQSURNPARBMLW-MQYQWHSLSA-N 379.461 -0.366 30 20 GBED CC1(C)CC(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)C1=O 1110568225 QBTBPADFMFOEPO-UPJWGTAASA-N 375.429 -0.867 30 20 GBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCN(C)C(=O)C1 1110741133 SNJHXTXSBURYEQ-FPCVCCKLSA-N 377.489 -0.827 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC(=O)N1CCOCC1 1117350584 ZZAYYNABTWVMIM-UHFFFAOYSA-N 388.424 -0.492 30 20 GBED CN1CCC(N(C)CCN(C)C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1118925307 ZAZIHVGGPUNIHT-GOSISDBHSA-N 390.532 -0.330 30 20 GBED C#Cc1cccc(CNC(=O)C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c1 1119233863 DPQJUCDKFQUXLO-UHFFFAOYSA-N 375.450 -0.080 30 20 GBED Cc1cc(C#N)nc(NC[C@@H](O)CN(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)n1 1124919168 GKCNFKVSYXZVPR-DRPJVOAASA-N 375.429 -0.061 30 20 GBED C[C@@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)N(C)CCC#N 1317799010 ZFOLZLONBOHACA-VXGBXAGGSA-N 398.441 -0.544 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)O1 1319798745 NKCKZUGPILLPGR-OQDYUYOUSA-N 379.417 -0.552 30 20 GBED CC(=O)N1CC[C@@](C)(C(=O)NCC#CCNC(=O)[C@]2(C)CCN(C(C)=O)C2)C1 1320397033 BHEOWKZJXLCQTD-WOJBJXKFSA-N 390.484 -0.261 30 20 GBED CN(C[C@@H]1CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1)S(C)(=O)=O 1321889314 AFSRZKQIQYDHNW-QWHCGFSZSA-N 380.492 -0.941 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(CC(=O)NC)cc2)CC1 1322775572 XZWLWSITKBIPDH-UHFFFAOYSA-N 384.436 -0.098 30 20 GBED C#CCSCCNC(=O)C(=O)NCCNS(=O)(=O)c1cccs1 1323787960 OPBVKFRAHBTYAR-UHFFFAOYSA-N 375.497 -0.375 30 20 GBED CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cn1 1324301614 WWNUDWGQKYZQNH-UHFFFAOYSA-N 396.411 -0.817 30 20 GBED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)cc1 1332595114 GMXYTIRZFABBEK-CMPLNLGQSA-N 378.410 -0.342 30 20 GBED N#CC[C@H](C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1)c1ccccc1 1457600152 NOUMDHDGTTYXNI-YESZJQIVSA-N 377.466 -0.014 30 20 GBED C[C@@H]1OCC[C@@]1(O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1512581986 NSMXUVZEQBIJNL-PMUMKWKESA-N 390.444 -0.331 30 20 GBED C#CCN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CCN(C(=O)CC(N)=O)CC1 1573282330 IKJBLZPUVUTHKK-UHFFFAOYSA-N 384.400 -0.863 30 20 GBED C=CCOCC(=O)N[C@H]1CCN(c2cc(-c3nn[nH]n3)nc(CC)n2)C[C@@H]1O 1573342802 DWRKGMXOWAFJQX-AAEUAGOBSA-N 388.432 -0.523 30 20 GBED C#CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(=O)OC 1588333677 BCRDJEHLVQMPKN-QMMMGPOBSA-N 380.342 -0.382 30 20 GBED C#CCN1CCC[C@H]1C(=O)NCC[C@@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588351203 IWXHWWQYDHZTSM-DOMZBBRYSA-N 384.444 -0.083 30 20 GBED CC(C)(C)n1cc(-c2nn[nH]n2)c(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)n1 1589249260 MFRVYXZLKZBQPE-INIZCTEOSA-N 387.404 -0.366 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 1589786836 FYLTXBKKUSOTCC-GFCCVEGCSA-N 391.461 -0.138 30 20 GBED N#CCNC(=O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1592678374 WCYJVJGAASPNDQ-NEPJUHHUSA-N 383.416 -0.487 30 20 GBED N#CCSCC(=O)N1CC(CCO)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1592680496 PUWNOYYIKJCDCB-UHFFFAOYSA-N 390.429 -0.855 30 20 GBED C#CC1(O)CCN(C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(=O)O)C3)C2)CC1 1602676734 GPHDRENDVMAPIJ-JZLYGMAVSA-N 384.454 -0.033 30 20 GBED CNS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1748296691 BRADWQSXPZXKGE-OAHLLOKOSA-N 393.517 -0.044 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C2(C(=O)NC)CCC2)C1 1757198180 NYWLGYOQYWZTLU-XGUBFFRZSA-N 379.457 -0.428 30 20 GBED CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783568141 OELRYLZGWKVLEJ-GOSISDBHSA-N 380.397 -0.506 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1784479428 AHOXWRAVFXSVBN-QZWWFDLISA-N 391.468 -0.373 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1784501369 QTDFGICNPHHQBE-CWVYHPPDSA-N 396.488 -0.850 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncccn3)[C@H]2C1 1786106129 KWMJGHKGOBKTCR-PVPAMPSESA-N 399.451 -0.072 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSC(=N)N)[C@H]2C1 1786774169 AUPHOOFBDZUORF-RFGFWPKPSA-N 382.486 -0.369 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(N)s1)C2 1793342824 UNSZDXOZRUQRNU-FMSGJZPZSA-N 378.454 -0.033 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC)C(=O)O 1795641191 JACHGLHMPBVESC-JAAXMTQOSA-N 383.445 -0.770 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)CNC2=O 1797551057 NXWOZDAWIIUSPG-ZSBFGKGUSA-N 397.387 -0.779 30 20 GBED CS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812876151 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-0.626 30 20 GBED Cn1nccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 274189112 QZMDCJHHRBVOHP-UHFFFAOYSA-N 395.466 -0.013 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(OCC(=O)NC)cc2)C1=O 281596043 ZTCXQBBETCJEEZ-OAHLLOKOSA-N 388.424 -0.005 30 20 GBED CN(C)S(=O)(=O)c1ccc(OCCN(CC#N)S(=O)(=O)N(C)C)cc1 283511606 KONLVQVJRVCLHJ-UHFFFAOYSA-N 390.487 -0.052 30 20 GBED N#Cc1cccc(CNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 284061779 QVECZQWFGQADJZ-UHFFFAOYSA-N 383.452 -0.059 30 20 GBED C#Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 299000715 SNIREGLDFIWWGS-UHFFFAOYSA-N 398.419 -0.864 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)C1=O 299665164 SQHWOTJPNVSEJQ-UHFFFAOYSA-N 394.409 -0.182 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)CC1 349457120 DIUVQWQGUKPSJR-IGQOVBAYSA-N 387.483 -0.433 30 20 GBED C=CCN1CC[C@H](N(C)CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1=O 499984975 ATVGSBZNOTVLNV-HNNXBMFYSA-N 388.534 -0.119 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OC)c(OCC(N)=O)c2)C1=O 522988031 YFSWXOCJMJCVQW-UHFFFAOYSA-N 390.352 -0.525 30 20 GBED COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)OC 563696731 STICYTNSVSSPAR-CYBMUJFWSA-N 389.343 0.126 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCc3nc(COC)nn3C2)C1=O 566704309 OVMFGUPPWFANMI-STQMWFEESA-N 390.444 -0.899 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc3c(c2)CCN3C=O)C1=O 726043160 QWNDWZHKGLCZMT-UHFFFAOYSA-N 399.359 -0.092 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@H](O)COc2cccc(C(C)=O)c2)CC1 761032542 JYQMWFIJUHHZGR-KRWDZBQOSA-N 395.481 -0.286 30 20 GBED Cc1ccc(C(=O)NC[C@H](O)c2cnn(C)c2)cc1S(=O)(=O)NCC#N 762520916 FBHVTPYKFMQKDE-AWEZNQCLSA-N 377.426 -0.006 30 20 GBED Cn1c(=O)ccn(CC(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)c1=O 787065029 OQBBENICIZRJQL-ZDUSSCGKSA-N 385.336 -0.520 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)c1 804059890 KRQMMQLGKDEECN-IAGOWNOFSA-N 398.467 -0.419 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)n1ncc(-c2nn[nH]n2)c1N 820444842 MGHNUODMDSQMHR-QMMMGPOBSA-N 387.385 -0.476 30 20 GBED N#Cc1cc(-c2nn[nH]n2)c(SCC(=O)N[C@H]2CCSC2=O)nc1N 826383761 OYZSGKZGIPQAIN-QMMMGPOBSA-N 376.427 -0.044 30 20 GBED CCOc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CNC[C@H]2C#N)cc1OCC 834500112 QHAQNXVDPUDRPE-OCCSQVGLSA-N 396.469 -0.010 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2nonc2C)C1 970259069 PHSDGCIFAKELGT-GUSZCTEKSA-N 378.429 -0.020 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1C(=O)CCC1=O 1000563543 NKRGQSGUYUMQPW-MRLBHPIUSA-N 375.425 -0.025 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2O)c1 1023329219 CNTLDUPOVKZFKI-NGFQHRJXSA-N 389.412 -0.999 30 20 GBED N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)CN1C(=O)CCC1=O 1108951930 KWSCEVZZRBVVQH-MQYQWHSLSA-N 380.470 -0.525 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2CN(CC(C)C)CCO2)CC1 1116992781 XSLIHBKBIONUMF-QGZVFWFLSA-N 392.500 -0.553 30 20 GBED CCO[C@H]1C[C@H](O)C12CCN(C(=O)C(=O)NC1CCN(CC#N)CC1)CC2 1117327127 WJBUGDOAZOLCIT-HOTGVXAUSA-N 378.473 -0.131 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@]2(N)C1 1118828348 XSJKXNMIZQKZKA-TYILLQQXSA-N 383.456 -0.275 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1C[C@H]1C1CC1 1218758220 NOBBWRWIWQOKLN-XUWVNRHRSA-N 376.457 -0.044 30 20 GBED CS(=O)(=O)CCOCCNC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1261105756 VQZQXGNQVJOEKZ-UHFFFAOYSA-N 395.437 -0.675 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CO)C(=O)OCc2ccccc2)C1=O 1320409667 PABZVQOTQANVOU-ZDUSSCGKSA-N 389.364 -0.816 30 20 GBED COC(=O)CN(CC#N)CC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1 1322323823 QVPYGWOSLNQCCK-LBPRGKRZSA-N 383.430 -0.512 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1)[C@@H]1CCCO1 1331366416 BLUKKIHIVICZCI-PGUXBMHVSA-N 375.347 -0.047 30 20 GBED CCN1C(=O)[C@H]2CN(C(=O)C(=O)NCc3ccc(C#N)c(F)c3)CCN2C1=O 1331741378 NAKJUTGFGBLWBJ-CQSZACIVSA-N 387.371 -0.192 30 20 GBED CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 1334302419 GBLGFWMFOCAVGL-LSDHHAIUSA-N 385.472 -0.014 30 20 GBED N#C[C@@H](C(=O)CNC(=O)Nc1ccccc1)C(=O)N1CCS(=O)(=O)CC1 1342561581 UDEKGGRZDJGJHY-ZDUSSCGKSA-N 378.410 -0.226 30 20 GBED CN1CCN(C[C@H](NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)c2ccccc2)CC1 1345839981 KWZNDDQAAPDVJO-RXVVDRJESA-N 399.495 -0.032 30 20 GBED C#CCN1CCC[C@H]1c1nnc(N2CCO[C@@H](C(N)=O)C2)n1C[C@@H]1CCOC1 1526229469 LVKZSSIYWDSWKZ-HRCADAONSA-N 388.472 -0.225 30 20 GBED CC(C)(C)C#CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 1573793297 OBSUYJYIURDOKZ-GXTWGEPZSA-N 385.428 -0.064 30 20 GBED C#CCN(CCOC)c1nnc([C@@H]2COCCN2)n1CCCN1CCOC1=O 1574666980 LIHWVXBYPWRNDD-HNNXBMFYSA-N 392.460 -0.133 30 20 GBED C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)NC)CC1 1574706254 AKGMZDSVEDAAHD-LSDHHAIUSA-N 380.518 -0.457 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](N)C1 1574935876 DHMDGVMVMJMAQK-UPJWGTAASA-N 382.490 -0.734 30 20 GBED N#Cc1cccnc1N1CCN(C(=O)[C@@]23CNC[C@@H]2CS(=O)(=O)C3)CC1 1580080147 NOQBVKVYJBHLAA-RHSMWYFYSA-N 375.454 -0.764 30 20 GBED N#Cc1nccnc1N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1581885753 LLAJELDZWVSSLI-JTQLQIEISA-N 380.372 -0.508 30 20 GBED C[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1CNCC(=O)NCC#N 1590262091 VARNTRXFBSWCQQ-SMDDNHRTSA-N 385.432 -0.335 30 20 GBED C[C@@H](CC(=O)N[C@H]1CCO[C@H]1C(=O)O)/N=C1/NS(=O)(=O)c2ccccc21 1592258878 KPFYDPGTURLEPT-NURSFMCSSA-N 381.410 -0.138 30 20 GBED N#Cc1cccc(CS(=O)(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)O)c1 1601123288 TUYZPULKHGEFKV-STQMWFEESA-N 392.393 -0.533 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NC/C=C\CN=c1cc[nH]c(-c2nn[nH]n2)n1 1602756582 RJZFCHUBXDZSLC-ZFDPJTLLSA-N 385.432 -0.366 30 20 GBED C=CCC[C@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1602833347 KKYADSUDHORXKK-DGCLKSJQSA-N 394.457 -0.023 30 20 GBED CCc1nc(-c2nn[nH]n2)cc(N2CC[C@H](NC(=O)C#CC(C)C)[C@H](O)C2)n1 1604544939 XRYJATISDCPSAF-GXTWGEPZSA-N 384.444 -0.066 30 20 GBED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1779070357 WGCYSLJAXOPENN-MAUKXSAKSA-N 395.412 -0.385 30 20 GBED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1779309709 CEZZZZQKEGAFEA-RDTXWAMCSA-N 380.445 -0.483 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1783107591 NRMADKRTEJSOBT-SCLBCKFNSA-N 378.429 -0.420 30 20 GBED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567459 QBKBOPXPTQLTRP-LJQANCHMSA-N 388.424 -0.503 30 20 GBED Cc1nnc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)s1 1791075963 INLRCDCCIODDIR-AVGNSLFASA-N 392.437 -0.543 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCN(C)C1)C2 1793344478 APZOMPIAWYKJCN-TXTZMMAHSA-N 377.485 -0.044 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cncn1 1795853169 KYEXSTPBHXKYED-XOIINTDNSA-N 391.428 -0.623 30 20 GBED CN1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)CC1 1797235221 QMNLKWVPWHKKGU-SCAQPMJSSA-N 375.473 -0.873 30 20 GBED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(O)O)CC2 1822918709 WUNZUIQUEDXPKM-SECBINFHSA-N 383.426 -0.125 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830576047 QZZDDBRSKRDPHD-GKSFYBEXSA-N 382.457 -0.195 30 20 GBED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1831174459 ADAYYOQTHOQIRR-YWZLYKJASA-N 391.468 -0.229 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)C1 1835115975 YDUPXJZTRGHNBZ-KXBFYZLASA-N 377.441 -0.312 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccnn1)CCO2 1836213546 ADZRSFUOCRFNPO-GOSISDBHSA-N 375.429 -0.462 30 20 GBED C#CC(=O)N1CCC(OC2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1 1838288317 LMZBOMSECOSRPW-UHFFFAOYSA-N 376.501 -0.134 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1839808050 SMWOVMBNJUXOJY-SFHVURJKSA-N 375.381 -0.901 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840161006 BPLNFYINZYUWQX-BMIGLBTASA-N 399.429 -0.294 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1840169883 UOLFOUQEWPLCHZ-DNVCBOLYSA-N 379.457 -0.229 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1840842281 ZHMNBICTSFIZIU-IBGZPJMESA-N 379.457 -0.372 30 20 GBED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847513932 UFRKGNHXLTXLCP-RWMBFGLXSA-N 395.412 -0.838 30 20 GBED C=CCN(CC(=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)[C@H]1CCS(=O)(=O)C1 66560011 RNKGETNGOCQLQR-LBPRGKRZSA-N 398.485 -0.367 30 20 GBED C#Cc1cccc(NC(=O)CNC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 266258343 JZTZYAMBAIOXNS-DTTOXWODSA-N 381.388 -0.115 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 268718054 JREPTVAEVFBDBK-YPMHNXCESA-N 385.467 -0.129 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC(=O)N1 297841129 NTTIQSMNELPILT-OAHLLOKOSA-N 383.452 -0.061 30 20 GBED CCS(=O)(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 330607951 MKDYRDXEONFVQM-MRXNPFEDSA-N 385.534 -0.354 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 349512055 UOHKWTKUMVESTN-GXTWGEPZSA-N 389.503 -0.790 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCc2nn(C)cc21 349534033 HDNSVALYVVXCGC-FZMZJTMJSA-N 389.503 -0.062 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnc(N(C)C)nc1 501375804 HSEMTWMBOVDMNB-LBPRGKRZSA-N 395.427 -0.120 30 20 GBED N#Cc1ccc(NC(=O)CCN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 533520143 UZQAUDIZBMIWKV-IRXDYDNUSA-N 392.481 -0.026 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CCO1 583923751 JXCLZWXARUZTMG-QWHCGFSZSA-N 392.503 -0.751 30 20 GBED N#Cc1cccc(CN2CCC(NC(=O)C(=O)NC[C@H]3CNCCO3)CC2)c1 593783264 YLDMWUUICZTKFF-GOSISDBHSA-N 385.468 -0.257 30 20 GBED CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 601468092 HAHYXTUCWVZQMB-UHFFFAOYSA-N 378.477 -0.303 30 20 GBED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 670204551 HEWYLILKEZLDJH-UHFFFAOYSA-N 399.521 -0.079 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 728531641 MGSBWHOGKLFART-KRWDZBQOSA-N 389.500 -0.192 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)CS(C)(=O)=O)CC2)o1 747075028 KBTDOFOGKFTXHT-LLVKDONJSA-N 398.441 -0.273 30 20 GBED COc1cc(C#N)ccc1S(=O)(=O)NNc1ccc(S(N)(=O)=O)cn1 766356406 MQIAIKNCSCNVRN-UHFFFAOYSA-N 383.411 -0.085 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCn3cnnn3)CC2)cc1 816289142 VJFICHFBRGMZFJ-UHFFFAOYSA-N 389.441 -0.238 30 20 GBED N#Cc1nc(N)n(CC(=O)N2CCN(Cc3ccco3)CC2)c1-c1nn[nH]n1 826387645 HXLXSDIHWYQXQJ-UHFFFAOYSA-N 382.388 -0.546 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)nnn3C)CC1 827169630 CXTVMMMNKFMSQO-UHFFFAOYSA-N 390.469 -0.586 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Cc2c(C)nn(C)c2C)CC1 831561061 OZYPIAUYHJINOC-CYBMUJFWSA-N 381.502 -0.173 30 20 GBED C#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(=O)n(CC)c1 848961582 DLEGVQUCVHATIU-UHFFFAOYSA-N 375.472 -0.105 30 20 GBED COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)[C@H](O)c1ccc(C#N)cc1 857726718 OWVSIOAFYZTNLY-KCQAQPDRSA-N 386.364 -0.714 30 20 GBED CN1CCN(S(=O)(=O)c2ccc(NN=C3CCS(=O)(=O)C3)nc2)CC1 912796320 PCNLRRVEIVTAQX-UHFFFAOYSA-N 387.487 -0.396 30 20 GBED C=CCCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)nn1 968389402 HGEQHPNKCCGXHS-NCZKRNLISA-N 385.428 -0.318 30 20 GBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 1041426111 OXIDSVQMBAEZRU-LPWJVIDDSA-N 386.330 -0.035 30 20 GBED Cc1nsc(N2C[C@H](O)[C@H](NC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)c1C#N 1091197468 AHEQBQFBLVMWBD-ZZVYKPCYSA-N 393.469 -0.198 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1118939276 VWLFILBWYLTXCY-CQSZACIVSA-N 391.428 -0.775 30 20 GBED N#CCNC(=O)COC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1319102747 CMDGXUIFKIHUGD-CQSZACIVSA-N 385.380 -0.281 30 20 GBED N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)o1 1325128911 PZTXVZYYEFVHIR-LBPRGKRZSA-N 387.439 -0.574 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@H]2CCc3nc(COC)nn3C2)n1 1327279603 CGMLSGMWCHNRGI-AWEZNQCLSA-N 399.455 -0.266 30 20 GBED COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1329454380 QERDMNZOGBNXTP-HNNXBMFYSA-N 391.472 -0.719 30 20 GBED Cc1nc(CN2CCN(C(=O)C(=O)N3CC[C@@](O)(CC#N)C3)CC2)cs1 1345956323 CBBDWJAOFFQCCP-KRWDZBQOSA-N 377.470 -0.027 30 20 GBED C=CCn1cc(C(=O)NC[C@H](O)CNCc2ccccc2-c2nn[nH]n2)nn1 1573351947 XZNRWNVAHPLRRD-CYBMUJFWSA-N 383.416 -0.475 30 20 GBED CC(C)(C)C#CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 1573793299 OBSUYJYIURDOKZ-OCCSQVGLSA-N 385.428 -0.064 30 20 GBED C#CCN1CCC[C@H]1C(=O)NCCCN(C)[C@H](C)C(=O)NCc1cnn[nH]1 1574985528 FODPERWXNQHKCL-ZBFHGGJFSA-N 375.477 -0.655 30 20 GBED C=CCCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN([C@@H](C)C(=O)NCc3cnn[nH]3)C[C@@H]21 1575099850 FPRFXMNOXLWVJC-RHMLRGBNSA-N 376.461 -0.163 30 20 GBED C#CCO[C@H](C)C(=O)N(CCO)CCNc1ncc(-c2nn[nH]n2)cc1F 1588355228 DSKVTNMTWUKHMV-LLVKDONJSA-N 377.380 -0.328 30 20 GBED C#CCOCCC(=O)NC1(CO)CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 1588359170 ILXWDLOBFNZDKQ-UHFFFAOYSA-N 386.416 -0.856 30 20 GBED C=CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1588658621 CQRPMDJKIKEMDN-WCQYABFASA-N 388.432 -0.684 30 20 GBED C=CCOCC(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588665344 JNUBDWFIJAGSOA-NSHDSACASA-N 377.405 -0.711 30 20 GBED C=CCOCC(=O)N1CCCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588671604 LHVNCKFNMMORIN-ZDUSSCGKSA-N 389.416 -0.255 30 20 GBED CC#CCS(=O)(=O)NC(=O)C1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 1588749783 DNHQFFQXCXPJSJ-UHFFFAOYSA-N 393.429 -0.151 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 1592670653 JKGIHOVORKCBGG-GOSISDBHSA-N 398.402 -0.021 30 20 GBED N#C[C@]1(NC(=O)Cn2cc(-c3nn[nH]n3)c(O)nc2=O)CCc2ccccc2C1 1592670677 KMOLQTBDVXQMFY-SFHVURJKSA-N 392.379 -0.304 30 20 GBED N#CCSCC(=O)N1C[C@H]2[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C1 1592680264 JCELJAGUHLZRCE-CNDDSTCGSA-N 386.441 -0.114 30 20 GBED C#CCO[C@H](C)C(=O)NC1(CO)CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1602726081 OSMWDHOBFQCKBU-CYBMUJFWSA-N 385.428 -0.253 30 20 GBED Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 1605805844 JSWLGIFDZYFPMC-ZIAGYGMSSA-N 379.384 -0.251 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(N2CCOCC2)C1 1639577134 NLLSLWMVXFHSGX-CYBMUJFWSA-N 378.454 -0.232 30 20 GBED Cn1nncc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1767534584 RVPOAZFWTNCKQQ-XHDPSFHLSA-N 394.436 -0.201 30 20 GBED CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1779201757 WBXLMPFQPKUHNA-SRCQZFHVSA-N 382.417 -0.522 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CC(N)=O)[C@H]2C1 1784593427 QRJQFIPRKPMQOO-QXKUPLGCSA-N 379.457 -0.484 30 20 GBED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(C)=O)C[C@@H]21 1789891893 UZILOOZWWHXBRR-JYJNAYRXSA-N 395.456 -0.388 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[S@](=O)CC)C2 1793344147 JCMXJNICNHGONM-AFPKTMCRSA-N 384.498 -0.227 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSCC(=O)O)C2 1793346688 HUUCNQGRWQAXNE-JFILPPLUSA-N 384.454 -0.568 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2cccnc2n1 1797359407 AWJITALYBNRIGF-ZSBFGKGUSA-N 394.387 -0.079 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=S)NC 1797756233 IHEJTRNECCTIOD-AYDFFVQHSA-N 398.529 -0.349 30 20 GBED CC(=O)N(C)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798690775 LZLODJTWMXHUBD-JLVBRIDZSA-N 387.440 -0.042 30 20 GBED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1801165302 ICOBDFZCOHEEMV-BASYENTBSA-N 378.473 -0.638 30 20 GBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1802019714 FVYRBQJVLSUIGK-FVCICTRLSA-N 385.424 -0.757 30 20 GBED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)[C@@H]2c2cccnc2)CC1 1806846925 HXAOLNVPUKRFGL-ZMSDIMECSA-N 398.467 -0.016 30 20 GBED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1825015974 SXPBLGRESIOYJK-SSDOTTSWSA-N 384.381 -0.872 30 20 GBED CCS(=O)(=O)CC(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825661565 XFJIPEIJMRTIOR-VIFPVBQESA-N 399.450 -0.422 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1830056059 LGHZERKGRISOTB-GOSISDBHSA-N 375.429 -0.111 30 20 GBED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1832290237 VKCWNKKGTDZIRN-GOSISDBHSA-N 380.445 -0.385 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833877861 RVHXJHLQNAZCBB-KSSFIOAISA-N 393.444 -0.524 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835115259 ZKGVEVOOUPLXGI-UGSOOPFHSA-N 378.429 -0.729 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CNC(N)=O)CC2)CC1 1836859895 JTJWPQSMZJNPBE-AWEZNQCLSA-N 394.472 -0.308 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2 1837211021 DLNKHZLWJLUWLN-RHSMWYFYSA-N 385.417 -0.917 30 20 GBED CCN(CC)CC#C[C@H](C)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 121373413 FQFXELGOFUACSK-ZDUSSCGKSA-N 375.429 -0.289 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(C(N)=O)CCOCC1 268773361 QTQRXLLEUKEPDF-LBPRGKRZSA-N 394.453 -0.377 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CC[C@](COC)(C(=O)OC)C1)c1cc[nH]n1 296747778 BIWXKFKMMVSNJW-TYSUYXETSA-N 396.400 -0.268 30 20 GBED CC(C)C/N=C(/O)N1CCC[C@@H](C(=O)NCCNS(=O)(=O)N(C)C)C1 330820595 QHQFIWYMETXKND-CYBMUJFWSA-N 377.511 -0.219 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)CC1(C)C 349509918 ZVSDLVDDKZZOKI-ZDUSSCGKSA-N 380.536 -0.046 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1CC(O)(C2CC2)C1 349511176 QECOYUUAEXPYKP-UHFFFAOYSA-N 379.504 -0.273 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)C2)ccc1C#N 349523475 OFNMODAGTCUCTN-CYBMUJFWSA-N 388.471 -0.210 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)CC#N)nn1C 349529496 ZWYLVYMQEZEMAM-SNVBAGLBSA-N 378.480 -0.181 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)nc1 349597093 CPGQIUWKPHKHAT-UHFFFAOYSA-N 383.455 0.260 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)N(C)[C@H](C)C#N)CC(=O)N1 349602650 QMVZUYVLFBGLSM-VXGBXAGGSA-N 380.492 -0.910 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3N)CC2)nn1 424551925 XABMCHZSYUPSJK-CVEARBPZSA-N 376.461 -0.175 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@@H]34)CC2)nc1 502276617 LMDYGZVBVKIZQA-CVEARBPZSA-N 396.451 -0.129 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(CN3CCOCC3)cs2)C1=O 521467104 MYRMGYXTAYMTEO-UHFFFAOYSA-N 393.425 -0.109 30 20 GBED CN(C)S(=O)(=O)c1c[nH]c(C(=O)N(CCC#N)CCN2CCOCC2)c1 530640163 IVNMERMDTZCTHL-UHFFFAOYSA-N 383.474 -0.047 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)n2)c(F)c1 573356678 VCGLDNSCPUHBLC-GFCCVEGCSA-N 397.370 0.058 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCn3ccnc3)CC2)c1C#N 578225334 ZGCDYHFJAPHAGM-UHFFFAOYSA-N 384.444 -0.348 30 20 GBED C[C@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@@H](CO)O1 587654805 SSYWHBOTGMQWFK-BBRMVZONSA-N 387.440 -0.354 30 20 GBED Cn1ncc2c(N3CCN(C(=O)CN4CC[C@@](O)(CC#N)C4)CC3)ncnc21 592149662 TUPRRXYGAZBBOB-SFHVURJKSA-N 384.444 -0.638 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 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491457080 HTRHRQPGNTWFOJ-CQSZACIVSA-N 397.439 -0.027 30 20 GBED COc1cc(C#N)ccc1OCCN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 498987131 MGWQJVOVUYQDCV-CVEARBPZSA-N 395.481 -0.279 30 20 GBED CCCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1 508957976 BIKSHRLAGVVWOJ-UHFFFAOYSA-N 395.441 -0.077 30 20 GBED N#CCNC(=O)CNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 511919464 MQJPVQMDHBSFFW-UHFFFAOYSA-N 391.812 -0.304 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CC(O)(C(F)F)C2)cc1 574651562 NWUNIONEQVBSPC-VIFPVBQESA-N 395.409 -0.123 30 20 GBED CN(C)C(=O)Cn1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n1 576674410 MNTPDNUCSJOYQH-UHFFFAOYSA-N 390.425 -0.240 30 20 GBED Cc1nsc(N2CCN(C(=O)CN(C)S(=O)(=O)N(C)C)CC2)c1C#N 577117117 OFHGYEDQIWURLV-UHFFFAOYSA-N 386.503 -0.290 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 584877634 SJPKXSRBDNDBMN-KSSFIOAISA-N 392.456 -0.030 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCN[C@@H](C(C)C)C3)CC2)c1C#N 591581801 VJVCTDDODZKHNL-MRXNPFEDSA-N 387.488 -0.295 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CO)CCF)cc1 594628743 GLVGWJODTLERHR-LLVKDONJSA-N 379.435 -0.171 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NCCCN2C(=O)CNC2=O)c1 594762728 RHMAYHNKZZAQTP-UHFFFAOYSA-N 380.426 -0.177 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCCN2CCC[C@H]2C(N)=O)cc1 600233000 VEVDWYQRGYIEAL-INIZCTEOSA-N 392.481 -0.071 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCc2cc(S(N)(=O)=O)ccc2F)CCO1 619710119 JIPRQPNWVLOTEI-JTQLQIEISA-N 378.407 -0.968 30 20 GBED C=CCN1C(=O)C(=NNC(=S)NCCNS(C)(=O)=O)c2ccccc21 727066062 KGSPTPGTNKETBH-UHFFFAOYSA-N 381.483 -0.063 30 20 GBED C#CCNC(=O)CN1CCN(CC2=Nc3ccccc3S(=O)(=O)N2)CC1 728570905 OXNAUPABAQBSPX-UHFFFAOYSA-N 375.454 -0.625 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)N(CCC(N)=O)Cc2ccccc2)CC1 728572617 LXYUMCFMJUBVBG-UHFFFAOYSA-N 399.495 -0.742 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1 728686426 CZZLRCSZISWFQP-UHFFFAOYSA-N 378.454 -0.011 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 746365579 NQVSJDFYPIJSRW-UHFFFAOYSA-N 397.461 -0.924 30 20 GBED N#Cc1c(F)cccc1C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 778370976 JFRBOUFGNLBVJJ-VIFPVBQESA-N 383.357 -0.133 30 20 GBED CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCO1 800113864 JRAJEWYIBNHZHD-OLZOCXBDSA-N 390.462 -0.319 30 20 GBED N#Cc1cncc(S(=O)(=O)NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 813980235 WXMZOJMMWDIVBH-LWWSYDQCSA-N 386.389 -0.435 30 20 GBED C[C@@H]1CC(=NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)NO1 824882571 BUAMWBFYJFDZST-RKDXNWHRSA-N 379.402 -0.228 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@H](C)N(C)[C@H](C)C1 848960586 KTKSPFLWPADYRO-GASCZTMLSA-N 390.531 -0.481 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1NCCO 857303368 RKXZAFPQPPCUGK-LBPRGKRZSA-N 397.453 -0.364 30 20 GBED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2O)c[nH]1 962388658 BOSYHYAZFFEXPE-KBXIAJHMSA-N 389.412 -0.999 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C(=O)N2CCC(C)CC2)C1 963232152 GNOCLBNDIIOCPX-WCVJEAGWSA-N 379.457 -0.476 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnsn2)C1 990829527 PEFQSVDDWHVNMW-ZZVYKPCYSA-N 389.441 -0.097 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)ccc2=O)C1 1024888112 BSWPMYQNKRQULG-WNOSKKOXSA-N 375.425 -0.332 30 20 GBED C#CCNC(=O)CNCc1cn([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 1098690391 NFXHFFLDFCSRLA-FWCYYJLNSA-N 398.467 -0.686 30 20 GBED C#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCCO[C@H]2C=C)C1 1128993682 LVUIQQODICWBFT-NCOADZHNSA-N 386.456 -0.650 30 20 GBED COC(=O)N1CC(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 1261191987 XGOBHPDPMZIKGN-UHFFFAOYSA-N 385.424 -0.231 30 20 GBED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN2C(=O)CNC2=O)c1 1318034412 KSVWLIVNFIKFJE-CPNJWEJPSA-N 393.425 -0.010 30 20 GBED Cc1cc(C(=O)NC2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)no1 1321366247 IJOYTHUPYYUYFF-ZDUSSCGKSA-N 383.430 -0.354 30 20 GBED C=CCn1c([C@H]2CC(=O)N(C)C2)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 1339494519 UKMDQOWRZTZUIZ-STQMWFEESA-N 382.490 -0.072 30 20 GBED Cn1c(-c2ccc(C#N)[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1344885295 KBQUAIZNYMWRFB-UHFFFAOYSA-N 398.427 -0.811 30 20 GBED C=CCN(C(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1)[C@H](C)COC 1347529086 PYRVTTKEGFXJCX-SJORKVTESA-N 382.505 -0.441 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2n[nH]cc2Br)CC1 1528552430 YPPLGCSOUIPTRN-UHFFFAOYSA-N 376.236 -0.602 30 20 GBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2cnn[nH]2)nc1 1575004927 PYGCXXWKQDVRMO-GXTWGEPZSA-N 386.412 -0.546 30 20 GBED C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)CC(=O)NCc3cnn[nH]3)C[C@@H]2O)C1 1575059176 JLQZXMQPHRZYLC-KBPBESRZSA-N 390.444 -0.755 30 20 GBED CCN(CCC#N)C(=O)CN[C@H]1CCN(C(=O)[C@H](C)OCc2cnn[nH]2)C1 1576521681 GCHUNSMHWRFBAY-KBPBESRZSA-N 377.449 -0.338 30 20 GBED Cn1c(=O)[nH]c(N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(-c2nn[nH]n2)c1=O 1581746392 DRRVNMSMLZZTGR-SNVBAGLBSA-N 381.356 -0.822 30 20 GBED C#CC[C@@H](CO)NC(=O)CC[C@H]1NC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O 1588332050 VDZNJEZVXHOQMO-GXTWGEPZSA-N 397.395 -0.428 30 20 GBED C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1588349887 QBXGYFFQLDQQSZ-LBPRGKRZSA-N 381.439 -0.322 30 20 GBED C=CCn1cc(C(=O)N2CC(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 1588711645 VJVOMYCUBVLEAB-UHFFFAOYSA-N 382.388 -0.526 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)c(C)n3)C[C@H]2O)nn1 1588713626 OQWHOYGDKOHRBK-TZMCWYRMSA-N 396.415 -0.673 30 20 GBED C=CCn1cc(C(=O)NC[C@@H](CC)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 1588713941 ZMQJVYOFLCSADB-LLVKDONJSA-N 384.404 -0.089 30 20 GBED CCc1[nH]nc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1F 1783561530 WSAUUBLLUMFWJR-QGZVFWFLSA-N 378.360 -0.357 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOC3=O)C[C@@H]21 1784477465 CICQABQBLQUKPH-UGUYLWEFSA-N 393.440 -0.543 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(C)=O)C[C@@H]21 1784483191 OGQAJBQCQTZRSW-WLGNDBIMSA-N 379.457 -0.471 30 20 GBED CC1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CC1 1791072678 UBOARAZFCWJKKQ-ULQDDVLXSA-N 391.468 -0.214 30 20 GBED Cc1cnn([C@@H](C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1 1791078138 UVJCEJKRBPCDKB-VGWMRTNUSA-N 388.424 -0.180 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)C2 1792566540 IWOCAZNZPQSGBQ-BAPANKBGSA-N 376.457 -0.794 30 20 GBED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)NS(=O)(=O)CC)C1 1793309412 FPZYWYTUKZYDMB-HNKHHVNMSA-N 399.513 -0.130 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OCF)cn1)C2 1800773290 IQXOREYHDMHALH-CULMDFNYSA-N 392.343 -0.926 30 20 GBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1802017990 VWMPNGHFSHLEDZ-HGTKMLMNSA-N 385.486 -0.683 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)[C@H]1c1cccnc1 1802611272 BIGROBCMFGMWOU-SPYBWZPUSA-N 398.419 -0.298 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1831485250 AHKYTLYLDZLOOO-DDUZABMNSA-N 399.513 -0.324 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1840164090 XUFRAMOAKNOLCU-WWGRRREGSA-N 383.474 -0.386 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840174332 XEPMCBRYFUEYEO-MRXNPFEDSA-N 379.373 -0.036 30 20 GBED CO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840211341 ZFPIFUPPHGSCSX-UGSOOPFHSA-N 376.413 -0.009 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840605999 JRFLAHYOZHTLQP-GXAQHZSOSA-N 394.468 -0.074 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1 47615942 JDRUYXCMWPBPJS-UHFFFAOYSA-N 387.483 -0.132 30 20 GBED C/N=C(/NCc1nnc(C)n1C)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 261959628 JRDXIADVZRLMME-CQSZACIVSA-N 376.509 -0.173 30 20 GBED CC/N=C(/NC[C@H]1CCS(=O)(=O)C1)NC[C@H]1CCCN1S(C)(=O)=O 262374318 JDHKIXJAMUMDGQ-CHWSQXEVSA-N 380.536 -0.600 30 20 GBED C=CCNC(=O)CNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 272264880 NOTGXTCFTGQEKT-UHFFFAOYSA-N 375.433 -0.883 30 20 GBED C=CCn1c(S(=O)(=O)CC(=O)NCc2cccc(COC)c2)n[nH]c1=O 284152316 VSGCVNWBGFAFFX-UHFFFAOYSA-N 380.426 -0.006 30 20 GBED COCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 286555235 LKBZVRNISSUDBS-MRXNPFEDSA-N 386.456 -0.561 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)C1=O 287067861 NXITYZALOXRMBR-ZNMIVQPWSA-N 378.473 -0.005 30 20 GBED Cn1c(=O)c2c(ncn2CCN2CC[C@@H](Oc3ccc(C#N)cn3)C2)n(C)c1=O 292057182 BSFAKQZBBSAMDQ-CQSZACIVSA-N 395.423 -0.146 30 20 GBED CNS(=O)(=O)c1ccccc1N1CCN(/C(O)=N/Cc2cnnn2C)CC1 329718563 YYQDWMLIIFXPCV-UHFFFAOYSA-N 393.473 -0.041 30 20 GBED C[C@H]1CN(C(C)(C)CN/C(O)=N/CCNS(=O)(=O)N(C)C)C[C@@H](C)O1 331355655 QXYWOHNLYCYBAX-BETUJISGSA-N 379.527 -0.226 30 20 GBED CN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 332526338 NIKFALPCRSNWGW-UHFFFAOYSA-N 391.497 -0.361 30 20 GBED CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc(OC)ncn1 348354741 TUVSGJWOFJGOER-UHFFFAOYSA-N 376.460 -0.098 30 20 GBED CC(=O)N1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)[C@@H](C)C1 349512844 SNHKDNDVCVDRKY-OLZOCXBDSA-N 394.519 -0.567 30 20 GBED CN(CC(=O)N1CCOCC1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 437165598 OFHLHBRVQKWSIX-UHFFFAOYSA-N 376.417 -0.235 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3CCN(C)C[C@H]3CN)CC2)c1C#N 573235088 ICIIMLJRPXUKLM-CYBMUJFWSA-N 391.501 -0.927 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CN(C4CC4)C[C@H]3C)CC2)c1C#N 578244471 QKHJMQCBWLJLMB-CXAGYDPISA-N 399.499 -0.152 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 589397918 IIMXGULGVHGKKB-IRXDYDNUSA-N 392.481 -0.106 30 20 GBED C=CCSCCNC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)O)CC2=O)CC1 593778699 PZJIDPWFTJPMSK-LBPRGKRZSA-N 383.470 -0.054 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NCCCn2cncn2)cc1 594626812 GVSFALOEGWIEDQ-UHFFFAOYSA-N 384.443 -0.551 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 598025894 CXZWTTHZDVWTFJ-KBPBESRZSA-N 386.451 -0.599 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NCC)cc21 646952590 CUSPJUGBATZBRY-AWEZNQCLSA-N 393.465 -0.236 30 20 GBED CC#CC[C@@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 649183329 QJFGHIYWXZLPFG-LZWOXQAQSA-N 384.429 -0.160 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CCOC 732560897 BQWGRNQBZMSMPB-UHFFFAOYSA-N 389.481 -0.198 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745442133 SQFPKQPIVKWSCI-YQPPGCHHSA-N 379.369 -0.908 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](Cc3cnn(C)c3)C2)c1=O 747460332 JUYLZRDZTMCOKO-HNNXBMFYSA-N 386.456 -0.201 30 20 GBED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)nc12 750721471 CRPGECJEZWPBRR-JTQLQIEISA-N 392.379 -0.110 30 20 GBED CNC(=O)[C@@H](O)CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 763723949 KJYGMJTWVPPCAV-ZDUSSCGKSA-N 396.469 -0.491 30 20 GBED C=CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 766812159 HAPBNZPKEONDEX-LBPRGKRZSA-N 389.474 -0.171 30 20 GBED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 773948937 PZQWPLWRSLLPCU-CYBMUJFWSA-N 393.469 -0.418 30 20 GBED C[C@@H](CN(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1nn[nH]n1 773997200 BLPFECWIYSXKGX-JTQLQIEISA-N 377.430 -0.110 30 20 GBED C#CCC[C@H](O)CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 799076004 PEKRKDSWDNNBFH-AWEZNQCLSA-N 381.454 -0.443 30 20 GBED CC#CCS(=O)(=O)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 810774350 XURKJJRJULLSIH-KRWDZBQOSA-N 375.406 -0.151 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)CC1 831579336 AEISVPLPRPEKIS-CVEARBPZSA-N 396.513 -0.221 30 20 GBED COc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CNC[C@H]2C#N)cc1OC 834512015 QXWFUTROPUXNPC-YPMHNXCESA-N 382.442 -0.400 30 20 GBED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCOC 838241290 GFLLBRLGSVPEFT-UHFFFAOYSA-N 389.481 -0.291 30 20 GBED N#C[C@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cnsn2)C1 848958630 VHCWTEBYYFKBPH-SNVBAGLBSA-N 383.452 -0.063 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 857838621 BWIWVGXWURHNRV-GFCCVEGCSA-N 383.426 -0.659 30 20 GBED C=CCOCCCC(=O)NCC1(O)CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1042313284 UBAJGXWREFWNFU-YQQAZPJKSA-N 382.457 -0.290 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCC(C(N)=O)CC2)C[C@H]1C 1080472482 YMTSVPAVYHKUMQ-DZUCGIPZSA-N 392.500 -0.262 30 20 GBED CC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1118814328 AVEUQTIWZADFQV-SJORKVTESA-N 397.435 -0.488 30 20 GBED CC[C@@H]1C[C@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2CNCC(=O)NCC#N)n[nH]1 1130238129 UZYRXBXJKHDGFC-RQJABVFESA-N 389.460 -0.431 30 20 GBED COCC(COC)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1142165892 OPFAQQSWHRTVIH-UHFFFAOYSA-N 379.417 -0.984 30 20 GBED NS(=O)(=O)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1251581941 VAIVGIYPWBXOTM-UHFFFAOYSA-N 386.455 -0.995 30 20 GBED N#C[C@H]1CN(c2nnc(CC3CC3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1316541550 ZTGUFCIVBVBQPW-XJKSGUPXSA-N 381.458 -0.491 30 20 GBED C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(F)(F)F 1317928795 SSFJFIGBYGHCIB-QMMMGPOBSA-N 392.359 -0.092 30 20 GBED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1ccccc1C#N 1318280593 OEMKJFLRXNGHHU-CYBMUJFWSA-N 378.410 -0.510 30 20 GBED C#CCN(C(=O)C(=O)NCCS(=O)(=O)N1CCOCC1)C1CCCCC1 1322257800 SBWLLPMKACOHSX-UHFFFAOYSA-N 385.486 -0.441 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1328163455 BBDCDAXKVLVYJW-CABCVRRESA-N 393.421 -0.924 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(CC3CCOCC3)CC2)CCN1C1CC1 1329271900 DXOWXKHTAMCOCU-SFHVURJKSA-N 389.500 -0.244 30 20 GBED CCOC(=O)N1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1329717618 STPLEDKYQZQDMB-OAHLLOKOSA-N 377.445 -0.124 30 20 GBED CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)Nc2cc(C)c(C#N)cn2)CC1 1335299540 WHEZXIQVZZBYAX-UHFFFAOYSA-N 386.412 -0.603 30 20 GBED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccc(C#N)s2)c1=O 1339931246 XQVTUDRBSCYBGO-UHFFFAOYSA-N 390.471 -0.086 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1349227345 ICZBYPLYASFGBB-UZLBHIALSA-N 395.419 -0.348 30 20 GBED C=CCn1c([C@H](C)S(C)(=O)=O)nnc1N1CCN(CC(=O)N(C)C)CC1 1356073292 CPMNQKDVIPFGFH-ZDUSSCGKSA-N 384.506 -0.220 30 20 GBED C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1586573198 MGCDIHXQKPHREC-CQSZACIVSA-N 397.439 -0.458 30 20 GBED C=C[C@](C)(O)CC(=O)N1C[C@H]2[C@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H]2C1 1588500091 QOAWQMRALRKPAW-JKCQUFRZSA-N 385.428 -0.044 30 20 GBED C#CCN(C(=O)Cn1cncn1)C1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 1602714588 WBFAHUHMXUYPRT-UHFFFAOYSA-N 392.427 -0.016 30 20 GBED C#CCO[C@H](C)C(=O)NCC1(Nc2nccnc2-c2nn[nH]n2)CCOCC1 1602726064 ONJAJHRMPVIHCP-GFCCVEGCSA-N 386.416 -0.228 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCN(c2nccnc2-c2nn[nH]n2)C1 1602756756 XKHAXERFGQMTSN-STQMWFEESA-N 385.432 -0.178 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1783565365 SCHGXGJDZTUINW-SFHVURJKSA-N 383.364 -0.739 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CCC(N)=O 1795975625 PTSWHCKOSQTXBT-XGUBFFRZSA-N 392.504 -0.501 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2cccnc2n1 1797386329 OVRXADAWMSACDS-PNBKFKSVSA-N 397.435 -0.029 30 20 GBED C#CC(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1812526853 PVHWFNFUXAPBDN-CJNGLKHVSA-N 380.341 -0.555 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1831401502 AXPCNZQERNFJFU-HNAYVOBHSA-N 379.457 -0.957 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1831401688 FFFZSCBBIXDIQF-HNAYVOBHSA-N 390.440 -0.553 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CC(N)=O)CCO3)C1 1831596436 MOPWUSZNSLXEAF-AUUYWEPGSA-N 379.457 -0.080 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)CC)C2)C1 1837402251 AFEVWDYWMYLMFY-DNVCBOLYSA-N 382.457 -0.005 30 20 GBED Cn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840041272 BGMHDMQMESKKKJ-SFHVURJKSA-N 375.381 -0.817 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840362087 GGWOUSMUDUTEAJ-LIRRHRJNSA-N 387.440 -0.115 30 20 GBED CS(=O)(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)c2cccc(C#N)c2)CCO1 262561339 WKTLOXLAWKDVDI-AWEZNQCLSA-N 381.410 -0.255 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)CC1 286391216 DHBWBDYKFSXWRB-UHFFFAOYSA-N 393.532 -0.234 30 20 GBED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 299038379 ZOIWDYZTFLZUDR-UHFFFAOYSA-N 399.407 -0.974 30 20 GBED CC(C)[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)CCN1C 349478550 SLTJCIXBGKSWGA-CQSZACIVSA-N 380.536 -0.237 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(C#N)cn2)CC1 349535738 KDTJXKDKVBBOAZ-UHFFFAOYSA-N 387.487 -0.338 30 20 GBED CNC(=O)[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCO1 364675813 MLGWKFBJKMXMHM-HUUCEWRRSA-N 391.497 -0.096 30 20 GBED CNC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 430464690 NROBVCTZWBQTIB-LJQANCHMSA-N 395.423 0.121 30 20 GBED CC[C@H](CNS(C)(=O)=O)NC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 458956105 MOJBTQWBHYFVEP-CYBMUJFWSA-N 397.505 -0.240 30 20 GBED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 490412796 UTZYDDJLQNMMAS-OAHLLOKOSA-N 399.451 -0.112 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Cc1c(F)cccc1C#N)C2 560665787 YJBBZRPLPHKPMP-UHFFFAOYSA-N 386.387 -0.271 30 20 GBED Cc1cccc(NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1C#N 610378982 GLJKNBDTRQLJDG-UHFFFAOYSA-N 393.469 -0.501 30 20 GBED C=CC[C@H](CO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(OC)cc1 680464206 GJLVMNQZHWSMJV-WWGRRREGSA-N 384.454 -0.128 30 20 GBED NC(=O)[C@H]1CCC[C@H](C(=O)NCC#CCNC(=O)[C@H]2CCC[C@@H](C(N)=O)C2)C1 682536964 ORRVAQWSJRHOMV-FZKCQIBNSA-N 390.484 -0.194 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCCS(=O)(=O)C1 733956777 XJZULGKPOZOTMO-NSHDSACASA-N 385.467 -0.191 30 20 GBED C#CCN1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)CC1 748649629 BHZRGBWRQWBDSA-HXUWFJFHSA-N 398.419 -0.040 30 20 GBED N#C[C@@H](C(=O)c1ccnc(O[C@H]2CCOC2)c1)C(=O)N1CCS(=O)(=O)CC1 755682189 VWVZOOXXVNPCOH-KBPBESRZSA-N 393.421 -0.171 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccncc2)c1=O 758061104 UAYWKCRDRMKXQI-UHFFFAOYSA-N 396.472 -0.016 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccnn2C(C)C)CC1 761038038 NCWRKAIPTGABME-CQSZACIVSA-N 382.490 -0.124 30 20 GBED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H](CO)NC(N)=O)c1 765472645 YLEMIFXKRHXZEA-NHLWYUBBSA-N 383.430 -0.533 30 20 GBED CCOC(=O)CON=C(C(=O)Nc1cccc(S(N)(=O)=O)c1)c1cc[nH]n1 770813366 HUHNSYPWNGXELR-UHFFFAOYSA-N 395.397 -0.020 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 786366743 RIQHXIVQKQHEKF-JYILRKAJSA-N 379.369 -0.906 30 20 GBED Cn1cc(S(=O)(=O)NN=C2COc3cc(F)cc(F)c32)c(=O)n(C)c1=O 814883660 VWNYLJDNUOPTTE-UHFFFAOYSA-N 386.336 -0.563 30 20 GBED COc1ccc(CNC(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)cc1C#N 829351489 MQRJUEDTUUMICY-TZMCWYRMSA-N 381.410 -0.889 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2)CC1 831556628 RKPOVVFLWCRLIA-CYBMUJFWSA-N 396.435 -0.128 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)[C@@H]1CC 985521876 MRQQKDYSZMBCOO-RQJABVFESA-N 390.444 -0.536 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cn(CC(N)=O)nn2)c1 996021702 OXEQHFAMXTWXJP-SUNKGSAMSA-N 382.384 -0.861 30 20 GBED Cc1nc(N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)ccc1C#N 1051461892 BVQKQPKXSPNAON-BARDWOONSA-N 380.412 -0.479 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2nc(CC(=O)NC)no2)C[C@H]1O 1077823027 PVRAGZUMCCUAAN-ZBYUQBLASA-N 393.444 -0.999 30 20 GBED C#CCNC(=O)CC(=O)N1CC(N(CC)C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1080240084 ZHFKMEBFZMDFRZ-DHSIGJKJSA-N 377.441 -0.763 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1CCN(C(N)=O)CC1 1111372883 MDCZYNYLCFJKOS-XZDPQHSOSA-N 375.473 -0.364 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)C1 1323008402 IUNRNYPEUISGKW-CQSZACIVSA-N 396.391 -0.169 30 20 GBED CN(Cc1cn(C)nn1)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1330983417 OFNDGGBMJNYMEQ-INIZCTEOSA-N 395.423 -0.043 30 20 GBED O=S1(=O)CCCN1[C@@H]1CCCN(/C(=N/CCn2cncn2)NC2CC2)C1 1335316385 FFXLGTBLZDKAIC-OAHLLOKOSA-N 381.506 -0.114 30 20 GBED CON(C)C(=O)[C@H](CCSC)NC(=O)C(=O)Nc1ccn(CCC#N)n1 1343367340 KPTNIIZVDSPOAR-NSHDSACASA-N 382.446 -0.007 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCc2nnnn2CC2CC2)CC1 1347240362 UNIKHWGEPFFHOP-UHFFFAOYSA-N 394.439 -0.080 30 20 GBED O=C(COC(=O)c1cccc(C#CCO)c1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 1351495816 PXWWTLNDWLHUKL-CQSZACIVSA-N 394.405 -0.800 30 20 GBED C=C(C)Cn1c(CN2CCC(O)CC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1524120706 ZLYXCTHPBDJGQU-OAHLLOKOSA-N 378.477 -0.238 30 20 GBED C#CCN(CC)c1nnc([C@@H]2COCCN2)n1CCC(=O)N1CCOCC1 1574660950 WILHFSHABQRJRL-HNNXBMFYSA-N 376.461 -0.353 30 20 GBED C#CCO[C@H](C)C(=O)N(CCNC(=O)[C@@H]1CCCN1Cc1cnn[nH]1)C1CC1 1575004902 PJIJLTGPSBGLLK-PBHICJAKSA-N 388.472 -0.085 30 20 GBED N#Cc1ccc(N2C[C@@H]3C(CNC(=O)c4c[nH]c(-c5nn[nH]n5)c4)[C@H]3C2)nn1 1581871569 ZTJSFKJPGGBUDI-CHWSQXEVSA-N 376.384 -0.031 30 20 GBED C#CCNC(=O)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588353975 CJMHNFMRJRMYQH-LSDHHAIUSA-N 382.428 -0.377 30 20 GBED C[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H]1CNCC(=O)NCC#N 1590261354 OUMSWINWVJUQGQ-FZMZJTMJSA-N 385.432 -0.335 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3COC[C@H]3O)CC2)cc1 1627695646 VBNNIGFSDRIUSU-HZPDHXFCSA-N 379.438 -0.165 30 20 GBED CCn1cc([C@H]2C[S@](=O)CCN2C(=O)Cn2cc(C#N)c(O)nc2=O)cn1 1634490697 JQHYTUKSNIZYPM-PFUSGODGSA-N 390.425 -0.631 30 20 GBED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1747221686 VGPBXNXAHLTTIL-ZIAGYGMSSA-N 398.489 -0.033 30 20 GBED Cc1cnc2c(C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cnn2c1 1778528826 RSZIYWIPQZWFLF-LJQANCHMSA-N 397.391 -0.431 30 20 GBED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)N2CCOCC2)C1 1779419038 YHAWZUKTTCXPGU-ATZDWAIDSA-N 381.473 -0.273 30 20 GBED COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1779557490 MGFJWUKSBCLGPP-HDMKZQKVSA-N 380.445 -0.435 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1781268713 UNOPIDFDKJGFQM-KRWDZBQOSA-N 392.416 -0.988 30 20 GBED Nc1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cs1 1782010307 JUOKETWVZNTQBL-SJKOYZFVSA-N 392.437 -0.059 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)CCC 1797926365 ZKDTWPGWVLVQNQ-RIUYPTKQSA-N 393.484 -0.081 30 20 GBED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1)n1ccnn1 1798695301 ZUNJKJXVQCYFOW-OEYIWLLWSA-N 383.412 -0.058 30 20 GBED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833513957 XTMFPYAJGMNLPA-FZMZJTMJSA-N 384.502 -0.015 30 20 GBED COCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1834972305 GNMVCBFTAWXHNC-HDAJJNEKSA-N 382.461 -0.439 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1839226449 PCVYRSXNBUHSEU-HDMKZQKVSA-N 398.460 -0.622 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)NC(C)=O)CCO3)C1 1839875735 UTVGXSQARCARTQ-AUUYWEPGSA-N 379.457 -0.066 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042424 UWCLPYXTQZDMPE-LIRRHRJNSA-N 394.424 -0.896 30 20 GBED N#Cc1cccc(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 118861963 GGJXCTOKBQPSDB-KRWDZBQOSA-N 376.482 -0.021 30 20 GBED CC(=O)N1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)[C@@H](C)C1 349496223 AXMFYEDCDMXJHU-LBPRGKRZSA-N 380.492 -0.956 30 20 GBED CN(C(=O)CN1C(=O)[C@H]2CN(C(N)=O)CCN2C1=O)C1(C#N)CCCCC1 363044759 WUKUPKIDWYMNHY-GFCCVEGCSA-N 376.417 -0.302 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](N2CCNC2=O)C1 363445196 JUJYSBXZPGNLFW-GFCCVEGCSA-N 391.453 -0.259 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCC(F)(F)CN)C2=O)cc1 418942219 APAZMNWCGVTENY-ZDUSSCGKSA-N 379.367 -0.514 30 20 GBED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 423083034 GBPSBDUNPSZWDF-KRWDZBQOSA-N 383.452 -0.061 30 20 GBED CCOC(=O)[C@@](C)(O)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 460105513 MPFKPLOXWZLOFS-INIZCTEOSA-N 383.426 -0.078 30 20 GBED CC(C)(CNC(=O)CN(CCC#N)CCN1CCOCC1)N1CCOCC1 530665453 LPRCYGDRBRCELI-UHFFFAOYSA-N 381.521 -0.239 30 20 GBED CN(CCC#N)S(=O)(=O)N[C@H](Cc1cn(-c2ccccc2)nn1)C(=O)O 548219463 NCOAUZBMOXDYRX-CQSZACIVSA-N 378.414 -0.057 30 20 GBED N#Cc1ccncc1C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 553605815 OMSBCHVHJQXCPT-UHFFFAOYSA-N 379.442 -0.276 30 20 GBED CC(C)NS(=O)(=O)NCCNC(=O)N1CCN(c2cnccc2C#N)CC1 562357762 MMZOBYKAANEULW-UHFFFAOYSA-N 395.489 -0.383 30 20 GBED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CC[C@@H](CC(N)=O)C2)n1 588745236 NMSOBYHPMSZOBU-NSHDSACASA-N 384.371 0.545 30 20 GBED COCCOCCN1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1 593721269 PJRBDKVKUZYCLI-UHFFFAOYSA-N 392.460 -0.149 30 20 GBED Cn1[nH]cnc1=NS(=O)(=O)c1cccc(S(=O)(=O)NCC(C)(C)C#N)c1 594631361 GIGCRVOYJOCCBR-UHFFFAOYSA-N 398.470 -0.134 30 20 GBED NS(=O)(=O)CCCOC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 741825309 KDAJJNKTKLMERZ-UHFFFAOYSA-N 375.428 -0.663 30 20 GBED C[C@H](CC(=O)N1CCS(=O)(=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742625109 KPHFSQOPDKVZNC-LLVKDONJSA-N 385.467 -0.239 30 20 GBED C[C@H](CC(=O)NC[C@H]1CN(C)CCN1C)/N=C1/NS(=O)(=O)c2ccccc21 742663699 HEGKPWRLFTXMFM-KGLIPLIRSA-N 393.513 -0.134 30 20 GBED C#CCN1CCN(C(=O)CN2C(=O)C(=O)N(CCc3cccs3)C2=O)CC1 750002951 ROVBTUICHGFKGJ-UHFFFAOYSA-N 388.449 -0.141 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(CC)nn(C)c2CC)CC1 754005065 RAUCTQRAKLKHJH-UHFFFAOYSA-N 381.502 -0.399 30 20 GBED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C#Cc1ccc2c(c1)OCO2 761861056 MXSNVNJUUPCEOX-AWEZNQCLSA-N 392.433 -0.081 30 20 GBED C#CCC[C@@H](O)CNC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 799085828 YAPPEMGAGKFHPQ-CQSZACIVSA-N 383.470 -0.231 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CCCN(O)C2=O)cc1 816756035 OMBWXGXUEATYCT-CQSZACIVSA-N 398.441 -0.238 30 20 GBED N#CC(C#N)=c1sc(=Cc2ccc(-c3nn[nH]n3)o2)c(=O)n1C[C@@H]1CCCO1 822801746 NSVRJPFBTLCVAM-LBPRGKRZSA-N 395.404 -0.111 30 20 GBED N#Cc1nc(NC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)[nH]c1-c1nn[nH]n1 822813971 AESJGTMJXFMZCZ-SNVBAGLBSA-N 391.351 -0.081 30 20 GBED CN(C)S(=O)(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 829693990 GOERAGDUJDPBJG-LLVKDONJSA-N 375.451 -0.646 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H]2CNC[C@H]2C#N)c1 834504381 APOYWMKTYQVIMV-OCCSQVGLSA-N 381.458 -0.893 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCCN(O)C2=O)cc1 848137916 KEYPHDLUYBRJSW-AWEZNQCLSA-N 398.441 -0.190 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1C(=O)OCC1(C)C 848964492 SVSKTXXHJHCQOR-LLVKDONJSA-N 395.503 -0.189 30 20 GBED CC(C)NS(=O)(=O)N1CCN(C(=O)NCCNc2ncccc2C#N)CC1 853481726 KQSDXCUQSJYKBT-UHFFFAOYSA-N 395.489 -0.065 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 875601836 UAAWOQUYCCESLT-KRWDZBQOSA-N 392.500 -0.312 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c(C)c[nH]c2CC(N)=O)C[C@@H]1O 970707802 VFPFXLXBUGVFBR-RZFFKMDDSA-N 390.440 -0.756 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C[C@H]2O)CC1 1024130055 BPBAMFLZMAZYPY-NTZUZEMLSA-N 389.496 -0.165 30 20 GBED C=CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1069985691 CAZOFSLNYLVZTK-BDXSIMOUSA-N 390.488 -0.315 30 20 GBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCn1ncn(C)c1=O 1109555759 FTMUBMHPAYIYEQ-KBXIAJHMSA-N 376.461 -0.616 30 20 GBED C=CCNc1nnc(S(=O)(=O)[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)s1 1115920480 LBDRZKLJDZEZQQ-IUCAKERBSA-N 394.500 -0.399 30 20 GBED C#CCN(C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)C1CCCCC1 1117082818 AJKCJKDOMKWLIR-UHFFFAOYSA-N 398.529 -0.526 30 20 GBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CC#N)cc1 1318951861 UKBZSOFIAZRTTJ-ZDUSSCGKSA-N 385.467 -0.324 30 20 GBED CNC(=O)CN1CCC(NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 1319325398 MWLGFDZNGGUMLI-UHFFFAOYSA-N 391.403 -0.007 30 20 GBED N#Cc1ccc(CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)nc1 1323253897 HAOFDKITJKEDRG-ZDUSSCGKSA-N 375.410 -0.265 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC(C(=O)NCC(=O)OCC)CC1)[C@H]1CCCO1 1324238193 DLFPQWNJGXSWLT-LSDHHAIUSA-N 393.440 -0.799 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2c(C(=O)OC)cnn2C)CC1 1324502627 MTCNOBZQKPLOGA-UHFFFAOYSA-N 375.385 -0.867 30 20 GBED CS(=O)(=O)CCCCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1325946054 DOYMUYMDKVHYJW-UHFFFAOYSA-N 393.469 -0.457 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCN(C(C)(C)C)C2=O)CC1 1326168186 WPVQKLQZVPYGCA-AWEZNQCLSA-N 376.457 -0.510 30 20 GBED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(=O)N(C)C)cc1 1326763238 AHVFROQOHOTRKD-LLVKDONJSA-N 380.426 -0.095 30 20 GBED COc1ccccc1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1327096082 SDTQZXKSXYJDFP-CQSZACIVSA-N 386.408 -0.269 30 20 GBED CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1330319022 PLJCYJQWUORCBV-IAGOWNOFSA-N 377.489 -0.246 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1)[C@H]1CCCO1 1331366415 BLUKKIHIVICZCI-FIXISWKDSA-N 375.347 -0.047 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2[C@H]2CCN(C(C)(C)C)C2)CC1 1336078129 QQUDZNFGVLATCL-AWEZNQCLSA-N 396.521 -0.692 30 20 GBED C=CCn1c(C(F)F)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1339046890 FRNGMXJLYHMXFQ-UHFFFAOYSA-N 382.375 -0.132 30 20 GBED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@H](C#N)C(=O)NC1CC1 1343292478 UZAVWGBVPGMWSY-ZDUSSCGKSA-N 380.426 -0.353 30 20 GBED COc1ccc(CNC(C)=O)cc1S(=O)(=O)NCCn1cnc(C#N)n1 1345401567 XANAYZNWPNEXCA-UHFFFAOYSA-N 378.414 -0.227 30 20 GBED CC(C)(CC#N)CNC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 1348747805 JPZSRQBBTSURBI-ZDUSSCGKSA-N 388.490 -0.353 30 20 GBED COC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)OC 1518715018 QGZHQNRMWXOOLR-KGLIPLIRSA-N 378.433 -0.096 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nn[nH]n3)n2)C1 1573285351 GVWBFKPASFACOY-CHWSQXEVSA-N 386.416 -0.357 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@]2(O)CCN(c3ccncc3-c3nn[nH]n3)C2)c1 1581862514 DSZAUTQLVHSULI-QGZVFWFLSA-N 379.384 -0.167 30 20 GBED C#CCN1CCN(C(=O)CN2CCC(N3C[C@@H](C(=O)O)CC3=O)CC2)CC1 1588430004 FUNIJURWVKAAMA-HNNXBMFYSA-N 376.457 -0.839 30 20 GBED C=CCn1cc(C(=O)NC[C@H](C)N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)nn1 1588713868 XBVWUEJGICGCLX-JTQLQIEISA-N 384.404 -0.137 30 20 GBED COC(=O)c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CCN(CC#N)CC1 1591285032 AIFAYVIGHZZDCZ-UHFFFAOYSA-N 391.413 -0.517 30 20 GBED N#CCSCC(=O)N1CCCO[C@H](CNc2cnc(-c3nn[nH]n3)cn2)C1 1592680688 XTCQZHDINYJDQZ-LLVKDONJSA-N 389.445 -0.057 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](O)CC(=O)O)CC2)cc1 1601111065 REUHIJVKPKEWRM-CQSZACIVSA-N 395.437 -0.089 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(F)c(-c3nn[nH]n3)c2)CC1 1602722313 MBUJWLVSDSTPKL-UHFFFAOYSA-N 385.403 -0.097 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1779201756 WBXLMPFQPKUHNA-ISTRZQFTSA-N 382.417 -0.522 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1779214739 ZUHYZVGGHXHVAB-FRQCXROJSA-N 389.456 -0.218 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1781400371 LGALDHLHLMLZMC-RHSMWYFYSA-N 378.433 -0.091 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CNC(=O)C2)C1 1781774567 OZUMHBRLVYKNRQ-QCBUCWTNSA-N 391.468 -0.325 30 20 GBED N#CCc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CNC(N)=O)CCO3)C2)cc1 1781794323 VPUJACMETOTEEY-LJQANCHMSA-N 385.424 -0.136 30 20 GBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccnc1CS(C)(=O)=O)CCO2 1783048276 VXAHPPLRUSQPIC-GOSISDBHSA-N 391.449 -0.297 30 20 GBED CC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1783139799 SOMHKCILHIKGFL-SFHVURJKSA-N 379.461 -0.766 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccnn3)[C@H]2C1 1787120008 CMVVWGBGQNPLNQ-YHUYYLMFSA-N 391.472 -0.169 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1788576029 HQXNWSARNQSAHL-ZQDZILKHSA-N 378.425 -0.373 30 20 GBED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 1789093979 GFRGXMMYYGWZGS-RHYQMDGZSA-N 393.469 -0.513 30 20 GBED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1791258838 AEBOOKKDILGDHE-QCZKYFFMSA-N 382.442 -0.201 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(C)cn1)C2 1792485940 XVUDTINTWLJIOL-KQLJBOCNSA-N 399.451 -0.153 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(O)cn1)C2 1793346504 DJSIVXVWGNOHSG-BKEDOTJMSA-N 387.436 -0.042 30 20 GBED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)N2)cc1 1795387118 LLLAGJVPSXTERT-AXVVYFOYSA-N 396.447 -0.031 30 20 GBED CC(=O)Nc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)cc1 1801785067 IYLSBXIHRRNPPR-CCWDJLKJSA-N 399.403 -0.064 30 20 GBED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1)C(F)(F)F 1831279602 NCWRMCPTHBNWEP-HNNXBMFYSA-N 393.362 -0.303 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1831484832 GMZJJSJXMYOSIQ-RHSMWYFYSA-N 397.501 -0.161 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)COCC)CCO2 1834977259 AMLLBRAMVUOJJN-SFFCAUCYSA-N 395.456 -0.662 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)CC1 1835342694 KXMYIEIQFBGRFA-LJQANCHMSA-N 392.456 -0.921 30 20 GBED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NC(=O)NCC)CC2)CC1 1835712021 XAJKUNLYFRKRIR-CQSZACIVSA-N 377.489 -0.101 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)COCCOC)C2)C1 1840167423 PGOBBTXVSMSROB-LJQANCHMSA-N 382.457 -0.091 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1840844870 POPVKQHWPCIKHN-KRWDZBQOSA-N 384.454 -0.326 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841847895 UDZDJRYVVKGINF-LBPRGKRZSA-N 378.429 -0.685 30 20 GBED CN(CC(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1)C(=O)C(=O)O 1844315247 AKRJBWYDCNUGEK-UFWORHAWSA-N 390.396 -0.555 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)C[C@@H](NC)C(=O)O)C2 1845187879 FNTUBCZICNHTIJ-CYBMUJFWSA-N 381.429 -0.238 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCOCC2)cc1 45067328 CUAQHEGLXFGCSD-UHFFFAOYSA-N 379.438 -0.423 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1 273364969 SZLQIOLMBFYYES-CYBMUJFWSA-N 387.396 -0.242 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)N(C)C)cc1 288229805 NIKXNMBORCBIMV-UHFFFAOYSA-N 390.487 -0.723 30 20 GBED N#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@]2(CCOC2)C1 349507874 VSOZADDOWNGRSH-CQSZACIVSA-N 390.487 -0.502 30 20 GBED COC(=O)COc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1Cl 508971037 SANMEXKBGKHKQO-UHFFFAOYSA-N 382.760 -0.414 30 20 GBED C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOCC1 565569009 RNAXQTLULQPFII-LBPRGKRZSA-N 380.426 -0.800 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 582073427 DDAAODYZOQGUOH-UKRRQHHQSA-N 378.454 -0.465 30 20 GBED C[C@H](O)CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 594628416 RQOXEQGPIWEGNW-LBPRGKRZSA-N 386.455 -0.274 30 20 GBED Cc1nc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cn1C 750621282 SWRCRSMLRWHQAV-MEDUHNTESA-N 399.473 -0.007 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCCS1(=O)=O 766353559 FMDANBKVYQPTCT-NSHDSACASA-N 385.467 -0.191 30 20 GBED C=CCS(=O)(=O)CCNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 783062737 YSKPDCFZKMHUSO-UHFFFAOYSA-N 385.446 -0.536 30 20 GBED CCN(C(=O)C(=O)NCCNc1ncccc1C#N)[C@H](C)CS(C)(=O)=O 787773898 CNHDTGFQCDCTHA-GFCCVEGCSA-N 381.458 -0.237 30 20 GBED COC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 831065592 DHFGEHPKYGLVAD-BXKDBHETSA-N 383.382 -0.642 30 20 GBED CCOc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CNC[C@@H]2C#N)cc1OCC 834500111 QHAQNXVDPUDRPE-JSGCOSHPSA-N 396.469 -0.010 30 20 GBED CCn1ncn(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1=O 854630113 UAOQGYTUNNRDEH-JTQLQIEISA-N 378.414 -0.348 30 20 GBED N#Cc1ccc(CS(=O)(=O)NC(=O)CCCN2C(=O)CNC2=O)c(F)c1 861012913 NFFHROCEZCWYHK-UHFFFAOYSA-N 382.373 -0.025 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1 887571883 CSXAWDQXGLQASU-NSHDSACASA-N 394.409 -0.220 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 892412704 MTHSIRXIRZDEJE-MRXNPFEDSA-N 385.534 -0.098 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@@H]1O 964489325 DWAVIXPGLGNEJB-OXIQGZBJSA-N 377.397 -0.339 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc3[nH]nnc3c2)C1 967267995 ZHEUTLKKHDXPSR-RZFFKMDDSA-N 386.412 -0.364 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@@H]2C1 986393339 RBCNGYUFKFYTJB-BVUBDWEXSA-N 389.452 -0.063 30 20 GBED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@@H]2CCS(=O)(=O)N2)[nH]1 1002883733 PQJFURGLFFNAAB-WVWOOGAGSA-N 377.426 -0.560 30 20 GBED C#CCN1CCC(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 1008354810 ZNNXWOGYRVKPIR-DLRJPAPCSA-N 386.496 -0.050 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CS(=O)(=O)C2)C1 1023877780 SPQUFTDONIXLJZ-YJNKXOJESA-N 386.470 -0.910 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(c3cccc(F)c3C#N)C[C@@H]2O)O1 1044539071 WYEPRNXMBRWNDO-XBVQOTNRSA-N 390.415 -0.001 30 20 GBED CNC(=O)Cc1noc(CN2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CSCC#N)n1 1108952146 PEOMPKGVTCCUQS-WOPDTQHZSA-N 378.458 -0.164 30 20 GBED C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N[C@H](C)C(=O)N(C)C 1110183248 OHQVYJLACNUTGU-WCVJEAGWSA-N 380.489 -0.107 30 20 GBED CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@@H](C#N)C1 1118986355 JZJGGNKIBBJGKZ-PXNSSMCTSA-N 386.452 -0.167 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)[C@H](C)C1 1208051242 DTPSUFRGGPQRSZ-RUCLQGLUSA-N 394.472 -0.514 30 20 GBED CCOC(=O)CON=C(C(=O)N[C@H]1CCN(c2cnn(C)c2)C1)c1cc[nH]n1 1255984406 GXVXGWJKDUKHKH-LBPRGKRZSA-N 389.416 -0.178 30 20 GBED CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)NCc2ccc(OCC#N)cc2)O1 1322524480 PIMBIZUHEUHEEN-JKSUJKDBSA-N 388.424 -0.043 30 20 GBED C#CCSCCNC(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 1323772109 MLTHZENKAMIYPF-UHFFFAOYSA-N 375.498 -0.068 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCc2cn3c(n2)CCCC3)CC1 1325653072 VZMFJXXQTLQFNJ-UHFFFAOYSA-N 385.468 -0.134 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)NCC(=O)N2CCOCC2)CC1 1347514624 KGOPKGSIACLJEX-UHFFFAOYSA-N 391.453 -0.757 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C(F)(F)F)n(C)n2)CC1 1347975218 RSRWWKMGBOMTLQ-UHFFFAOYSA-N 379.364 -0.336 30 20 GBED Cc1c(C#N)c(=O)n(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)c(=O)n1C 1580526202 LFBIBHPSLULSDF-UHFFFAOYSA-N 380.368 -0.776 30 20 GBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)Cc1ccc(-c2nn[nH]n2)nc1 1581861456 RTKHDTNKHSESMH-UHFFFAOYSA-N 380.372 -0.126 30 20 GBED C=CCCn1cc(C(=O)N2CC[C@@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)C2)nn1 1588620659 AYHOXWYPWDSOBR-LLVKDONJSA-N 381.404 -0.427 30 20 GBED C=CCOCC(=O)NC[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)CCCO1 1588676190 QHADTVAONWSRNT-CYBMUJFWSA-N 388.432 -0.121 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N(CCC(=O)OC)CC(=O)O)c1 1602702083 HIQMMUXAHGITBT-UHFFFAOYSA-N 382.394 -0.312 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C)COC1 1611711683 RUQDGXDFHXZMBC-RYUDHWBXSA-N 384.462 -0.346 30 20 GBED COc1cccc([S@@](=O)CC(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1633550219 MFKNDYAARMTPET-SANMLTNESA-N 376.394 -0.247 30 20 GBED CN(C)S(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](C#N)C1 1729346674 UUJVMNMIVFLRJM-ZDUSSCGKSA-N 393.473 -0.096 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cnnn1C 1761483071 RGXGVZIJATZHOL-YGRLFVJLSA-N 397.440 -0.493 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)n3cnnn3)CCO2)C1 1778977032 XRMIOWASCXFCTF-SUNYJGFJSA-N 392.460 -0.363 30 20 GBED C[C@H](CC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010898 KGUCJJGNSIUXKW-SNUQEOBHSA-N 379.413 -0.900 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784601574 OILVAFBGRONSRI-SUNYJGFJSA-N 392.460 -0.363 30 20 GBED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)C[C@@H]4NC(=O)NC4=O)CCO3)C2)CCC1 1785363209 RCTJQXFQIVBJFM-SGTLLEGYSA-N 389.412 -0.892 30 20 GBED CCc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)n(C)n1 1788946476 YOTVJIPSUCYIGG-NOLJZWGESA-N 388.424 -0.336 30 20 GBED CS(=O)(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1791769458 DKTSCYFYLZUACG-IHRRRGAJSA-N 383.470 -0.295 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC)NC)C2 1792488726 OTADBOGNOHYPIN-YYGSZOBFSA-N 378.473 -0.568 30 20 GBED Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)nc2ccccn12 1796847777 HKCYISOFZUQWEE-HBCWATKFSA-N 396.403 -0.066 30 20 GBED N#CCCC(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1 1806862648 GMAAPUQSLSPTTD-HDMKZQKVSA-N 386.456 -0.016 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cncn4)C3)C2)C1 1829666750 MBAUUINNXVKJSF-SFHVURJKSA-N 375.429 -0.299 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(C)[nH]3)CCO2)C1 1831847904 NAEUNFTVQNNJLV-LIRRHRJNSA-N 390.440 -0.174 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833170910 PNTMRYJSKIYEOI-CXAGYDPISA-N 380.470 -0.206 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)C)CCO2)C1 1835880401 ROQNARYHICAFSW-XLIONFOSSA-N 395.500 -0.131 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CN2CCOC2=O)C1 1841482782 KEXWAYYTFLKBTN-PLNGDYQASA-N 376.413 -0.500 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1844158249 IJAKJGJDXYPDNU-SKCQWOFPSA-N 395.460 -0.274 30 20 GBED C#CCNC(=O)COC(=O)CNS(=O)(=O)c1ccc(NC)c([N+](=O)[O-])c1 18975150 IKZXULKKYOUYCN-UHFFFAOYSA-N 384.370 -0.793 30 20 GBED CC/N=C(/NC[C@@H]1CCS(=O)(=O)C1)NC[C@H]1CCCN1S(C)(=O)=O 262374321 JDHKIXJAMUMDGQ-QWHCGFSZSA-N 380.536 -0.600 30 20 GBED CS(=O)(=O)N[C@@H]1CCC[C@H]1C/N=C(/N)N1CCN(c2ncccn2)CC1 262474380 ZMXIUQSMACNFOV-UONOGXRCSA-N 381.506 -0.369 30 20 GBED C=CCNC(=O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 271975101 KQEWUKIYROMLEV-ZDUSSCGKSA-N 383.474 -0.154 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCC(N)=O)c2ccccc2OC)C1=O 273215316 KFOOVXDAVXGIOC-UHFFFAOYSA-N 388.380 -0.120 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NC[C@@H](C)CN1CCOCC1)c1cc[nH]n1 276635740 UGFKJYFZWPDEAK-IQQDNESTSA-N 381.433 -0.222 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NC[C@H](C)CN1CCOCC1)c1cc[nH]n1 276635743 UGFKJYFZWPDEAK-JEEMYIIMSA-N 381.433 -0.222 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 292385283 UWRNROOJEKKJKY-NEPJUHHUSA-N 380.474 -0.134 30 20 GBED N#C[C@@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)C1 348341118 IBEBCTJXHNTHNI-LBPRGKRZSA-N 377.423 -0.124 30 20 GBED CO[C@@H]1[C@H]2C[C@@H]3CN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)[C@@H]1[C@H]3C2 349475341 FCAFMLNASXTHAM-XDSHMYFISA-N 391.515 -0.107 30 20 GBED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)C(=O)[C@@H]1C 349513383 XLABMHMVCCGJCQ-STQMWFEESA-N 394.519 -0.664 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC(=O)[C@H]2c2ccccc2C)C1=O 363970005 JGKGQYIPVMUPFE-OAHLLOKOSA-N 384.392 -0.029 30 20 GBED C=CCOC[C@H](NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)OC 435935701 KABDQVZANCAKFN-YVEFUNNKSA-N 397.428 -0.538 30 20 GBED CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc2)CC1 509011366 BQAVGEAXYOHOBR-UHFFFAOYSA-N 386.456 -0.481 30 20 GBED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCCS(N)(=O)=O)n1 542072595 LTYODWVTQQCOJD-UHFFFAOYSA-N 396.816 -0.259 30 20 GBED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2cccs2)c(=O)n1CC(N)=O 548618489 LFGNWRAMLIMCAV-SNVBAGLBSA-N 389.458 -0.435 30 20 GBED CCOC(=O)c1cc(COC)cc(NC(=O)C(=O)NCC(=O)NCC#N)c1 556230734 ANTHXUVXDPGJBG-UHFFFAOYSA-N 376.369 -0.296 30 20 GBED CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 566548248 UNVMLSYWFXCYCV-CYBMUJFWSA-N 385.346 -0.017 30 20 GBED COC(=O)CN(CC#N)C(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 576281759 LDGCLLUBWRRKNP-UHFFFAOYSA-N 396.425 -0.161 30 20 GBED CC(=O)N[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)C1 594637181 ISSJQCFSEUOHJU-GFCCVEGCSA-N 380.492 -0.862 30 20 GBED CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1 730073205 NWSFXHJRFZCYAT-LBPRGKRZSA-N 382.398 -0.442 30 20 GBED N#Cc1ccc(NCCNC(=O)NCCS(=O)(=O)N2CCOCC2)nc1 748093320 TUAFEHUTYXVSAH-UHFFFAOYSA-N 382.446 -0.674 30 20 GBED C#CCNC(=O)CN1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 758863807 AUFHCMXDNLHWOK-UHFFFAOYSA-N 381.414 -0.886 30 20 GBED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)[C@@H]1CCCO1 773559095 NQXRUGUQYQLZPE-CABCVRRESA-N 395.485 -0.075 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C)c(-n2cnnn2)c1 783347788 OLBMSLWJEGGXDX-UHFFFAOYSA-N 378.414 -0.374 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)OCCn2cc(C(N)=O)nn2)c1 805944066 DGQXLCUVKGQWDU-UHFFFAOYSA-N 377.382 -0.855 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)NCCOC)cc1 811836832 QZPKFGAUUGCISQ-UHFFFAOYSA-N 399.425 -0.220 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCN(C(=O)CCNC(=O)[C@@H](C)OCC#C)CC1 827537319 HQQWGFLCLIRDAV-CVEARBPZSA-N 377.441 -0.760 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H]2C(=O)Nc3ccccc32)CC1 831561206 QJUHFULIYAFVIQ-CQSZACIVSA-N 376.438 -0.276 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NC2(C(=O)NCCOC)CC2)c1 838348553 IRCMJKHFEBYPKR-UHFFFAOYSA-N 379.438 -0.377 30 20 GBED CC(C)(CCC(=O)N[C@H]1CCCN(O)C1=O)C(=O)N[C@@H]1CCCN(O)C1=O 848135431 DGYOKJBAVFSGBF-NWDGAFQWSA-N 384.433 -0.214 30 20 GBED C#CCCNS(=O)(=O)c1ccc(S(=O)(=O)N=c2nc(C)[nH]n2C)cc1 848942687 SWAUHBZXPJLUHH-UHFFFAOYSA-N 383.455 -0.352 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1noc(C)n1)[C@@H]1CCCO1 848962990 FVYXGQJDLQOWBI-RYUDHWBXSA-N 392.459 -0.390 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 982155512 CDQILBSESGORNE-DGAVXFQQSA-N 390.444 -0.631 30 20 GBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CCO1 1065440025 PZRQKLYGOZDJMR-NBOOPKSLSA-N 380.441 -0.579 30 20 GBED C#CCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1083151304 STHUDPXVUYSGHU-YDZRNGNQSA-N 377.485 -0.199 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)N2CCNC(=O)C2)c1 1097812812 CSYWXRJHQYYMGK-ZACQAIPSSA-N 381.436 -0.644 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCn4cnnc4C3)n2)cc1 1116204111 FVLSZNORSXJYRS-UHFFFAOYSA-N 377.368 -0.230 30 20 GBED C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1322020070 VCRUTGPHFGNXPU-OVZRNVPMSA-N 391.472 -0.134 30 20 GBED CN(c1ccc(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1)S(C)(=O)=O 1322854388 JTPMRJHRSHRSIC-AWEZNQCLSA-N 380.426 -0.550 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CCS(=O)(=O)C3)CC2)nc1 1323251779 NPRHTDGTLWTGND-AWEZNQCLSA-N 391.453 -0.847 30 20 GBED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C(=O)NCC#Cc2ccccc2)C1=O 1327227042 SSPQIEZWEQEWIE-QRWLVFNGSA-N 382.420 -0.009 30 20 GBED CN1C(=O)CC[C@H](NC(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)C1=O 1328207655 AMOXACIHOZDVNH-NSHDSACASA-N 389.437 -0.468 30 20 GBED CCN1C[C@@H](CNC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1=O 1328980407 FCHIIYIOFSWKST-UONOGXRCSA-N 399.455 -0.630 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@H](C)[C@](C)(CO)C3)CC2)c1C#N 1333416880 NOOOWWXXWZZWMB-DJJJIMSYSA-N 388.472 -0.274 30 20 GBED N#Cc1ccc(OC[C@H](O)CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 1341438710 XENQBAOCOKWGAU-NJAFHUGGSA-N 395.481 -0.927 30 20 GBED O=C(C(=O)N1CCN(c2nnnn2CC#Cc2ccccc2)CC1)N1CCCC1 1355714295 XKVPPENBZYIISN-UHFFFAOYSA-N 393.451 -0.004 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)Nc1snc(C)c1-c1nn[nH]n1 1573286241 WYSBJCGAKRXURG-RYUDHWBXSA-N 390.473 -0.382 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@]1(C)CN(c2cnc(-c3nn[nH]n3)cn2)CCO1 1573287152 LYVSZZSFDHVBHZ-YVEFUNNKSA-N 386.416 -0.594 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3cnn[nH]3)nc2)nc1 1575021243 CTNSZBDJFHFKDD-AWEZNQCLSA-N 391.391 -0.236 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 1588355295 FRIMPZNJTYXLQG-GFCCVEGCSA-N 383.412 -0.092 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[nH]n3)C[C@@H]2O)nc1 1588370286 YCDXYEDLIFYWTF-CABCVRRESA-N 376.380 -0.383 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[nH]n3)C2)nn1 1588620857 KGMQAWUTVUUPSG-LLVKDONJSA-N 381.404 -0.167 30 20 GBED C[C@@]1(C#N)CCN(C(=O)C(=O)N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)C1 1590055569 UPIWLRVNHOLXAU-SFHVURJKSA-N 395.427 -0.328 30 20 GBED COc1ccc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cc1-c1nn[nH]n1 1591590838 BHKYBUFQEABGJO-KRWDZBQOSA-N 385.384 -0.631 30 20 GBED CN(CCC(=O)O)S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1598471424 LGNCCJMOAKIHBE-WDEREUQCSA-N 376.435 -0.014 30 20 GBED C=CCCn1cc(C(=O)NC[C@H](CO)NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)nn1 1756524685 BNUKQZFGAYRHSD-KNCOVGOOSA-N 377.445 -0.124 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1778966924 IAMCKVLIHVXFSJ-UGSOOPFHSA-N 377.445 -0.168 30 20 GBED CS(=O)(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779137516 QEKPFWJIAZMBEF-LGEORROZSA-N 397.453 -0.427 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)c1 1780599973 JMSIUTCICGVDEW-JXFKEZNVSA-N 399.451 -0.405 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784382952 IVDGIIBVYFOOSG-JONQDZQNSA-N 376.457 -0.174 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)C=C)C[C@@H]21 1784486192 ZLZVSNZMHYRPJO-XAJHFOFHSA-N 391.468 -0.305 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC=O)[C@H]2C1 1789878284 ZLRJMEYLUGBMTM-QXKUPLGCSA-N 381.473 -0.326 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C 1792624890 CEAGZKILGDZABG-AYDFFVQHSA-N 382.461 -0.562 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1794008983 JPUDKSHOPAVNHP-YIYPIFLZSA-N 378.429 -0.233 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 1794277859 FOMAFUZGBYTCEZ-ZSBIGDGJSA-N 375.341 -0.483 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)C=C 1797939310 DYODGASGTKBJRK-JGFGOLAASA-N 377.441 -0.695 30 20 GBED N#CC1(C(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2c2cccnc2)CC1 1807042083 CJNFAJJRCFNAMV-YQQAZPJKSA-N 398.467 -0.016 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)cc1)CCO2 1838971649 KLCDYNIFUKXWHO-IBGZPJMESA-N 388.376 -0.450 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)NC(=O)CC4)C2)C1 1839807657 IXTYITDUJFYRFT-HXUWFJFHSA-N 398.419 -0.331 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(OC)c3F)C2)C1 1839807775 LSLQJVLLVPQRSE-GOSISDBHSA-N 377.372 -0.068 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1840166495 LOKUUQFBHLUEJC-DNVCBOLYSA-N 379.457 -0.242 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CCNC(=S)NC)C1 1844265839 VXPQVHOUBUJTMY-WAYWQWQTSA-N 393.513 -0.468 30 20 GBED CC/N=C(/NCC1CCN(S(C)(=O)=O)CC1)N1CCO[C@H](COC)C1 261968442 QAYOVVSSKLETFY-HNNXBMFYSA-N 376.523 -0.029 30 20 GBED 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C#CCC[C@H](O)CNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 799074459 IVSJGOLOLJYVRL-VIFPVBQESA-N 382.218 -0.217 30 20 GBED C#CCNc1nc(N[C@H]2CCCN(C)C2=O)nc(N[C@H]2CCCN(C)C2=O)n1 804533030 SHDUJVYPKRVKIG-STQMWFEESA-N 386.460 -0.018 30 20 GBED C#C[C@H](NC(=O)C(=O)N(C)[C@H]1CCN(C2CCN(C)CC2)C1)[C@@H]1CCCO1 809305403 CIAJZZICWDJBGY-BZSNNMDCSA-N 376.501 -0.090 30 20 GBED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nn[nH]n3)o2)c(=O)n1C 821066223 RVZYVTURVSQVDM-UHFFFAOYSA-N 399.436 -0.361 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 839526070 AHXLOSMCNUEVJL-KRWDZBQOSA-N 387.465 -0.251 30 20 GBED N#C[C@@H]1CNC[C@H]1NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 843459772 IDAGSIXOWMWVIP-IJEWVQPXSA-N 378.454 -0.015 30 20 GBED CCOC(=O)CON=C(C(=O)NCc1nc([C@H]2CCCO2)n[nH]1)c1cc[nH]n1 848276646 QSPIBTPPZYEBFS-LLVKDONJSA-N 391.388 -0.021 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C[C@@H](C)O)cc1 848942223 BENCTFILHHLVKW-CYBMUJFWSA-N 385.467 -0.165 30 20 GBED 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20 GBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NS(=O)(=O)CC)C1 1841580522 RNUDMRJKUVZLNS-KBPBESRZSA-N 385.486 -0.444 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCC(=O)NC1 1847317723 DARADCSNBPZWGN-ILXRZTDVSA-N 375.473 -0.004 30 20 GBED CNS(=O)(=O)c1ccc2c(c1)N(c1c(C#N)c(=O)n(C)c(=O)n1C)CC2 266249181 MRJLAHZABZNIFO-UHFFFAOYSA-N 375.410 -0.442 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccn(CCC(N)=O)n1 268841333 OTLDYEYBPCOCJD-LLVKDONJSA-N 390.425 -0.064 30 20 GBED N#Cc1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1 289605849 TYAHMBQYYHLIIM-UHFFFAOYSA-N 388.453 -0.096 30 20 GBED CC(=O)N1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)CC1 349532678 BYJDNIKBKFDZAD-GFCCVEGCSA-N 380.492 -0.956 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCN3C(=O)CCC3=O)n2)c(F)c1 363671226 JEQPZRUCPJQNLJ-UHFFFAOYSA-N 398.354 0.087 30 20 GBED N#CCC1(O)CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C1 366400774 PIVVMGYVSULKLS-OCCSQVGLSA-N 383.401 -0.563 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCN([C@@H](C)CC(=O)OC)CC1 410155789 VADOPTJJCGVJGF-AWEZNQCLSA-N 376.479 -0.338 30 20 GBED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424441067 SLVNWPJVDNLINS-LLVKDONJSA-N 396.425 -0.237 30 20 GBED COC(=O)CN(CC#N)CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 485078615 VKSQOYOCMQSUDP-UHFFFAOYSA-N 388.424 -0.226 30 20 GBED CCN1CCN(CCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 509479596 MEDCFTLSGPNMJD-HNNXBMFYSA-N 393.513 -0.021 30 20 GBED Cn1cc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1C(N)=O 548370311 GXEIWRYMAHGAHY-UHFFFAOYSA-N 379.402 -0.644 30 20 GBED C[C@@H](CNC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)S(N)(=O)=O 584370126 CFPDOQFLUKJHKJ-LBPRGKRZSA-N 394.453 -0.279 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 596750246 VBDVZHNQGLCQCU-ZIAGYGMSSA-N 379.442 -0.403 30 20 GBED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(CC(N)=O)c1=O 671654215 QGHXREFHMBVYCR-UHFFFAOYSA-N 399.476 -0.301 30 20 GBED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccccc2F)c1=O 727165023 VHKZPNBRSOPQQJ-UHFFFAOYSA-N 392.437 -0.375 30 20 GBED COC(=O)Cc1c(C(=O)O)sc(NC=C2C(=O)NC(=S)NC2=O)c1C#N 737627968 NFJAHDBYQWHLFE-UHFFFAOYSA-N 394.390 -0.140 30 20 GBED C[C@H](CC(=O)NCCN1C(=O)CCC1=O)/N=C1/NS(=O)(=O)c2ccccc21 742678080 OGDKVFWKMXWHSC-LLVKDONJSA-N 392.437 -0.231 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2cccc(COC)c2)CC1 761037199 MWYAWVPGZSJGDL-UHFFFAOYSA-N 394.497 -0.466 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)C2CCN(C(=O)OC)CC2)C1=O 776976547 AETJNTBJIXAOFH-NSHDSACASA-N 380.401 -0.054 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2 803839549 WAFDXWHOUGJANG-LBPRGKRZSA-N 377.401 -0.250 30 20 GBED CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 810362165 LGGNSEBLTWJFPI-UHFFFAOYSA-N 391.413 -0.867 30 20 GBED CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(S(N)(=O)=O)CC1 819219446 DSFDZLUUMMVXBJ-GFCCVEGCSA-N 389.478 -0.079 30 20 GBED N#Cc1ccc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)nc1 846820549 LVOOTDWKZQIIGO-OAHLLOKOSA-N 384.483 -0.412 30 20 GBED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 846963738 BABBJBUHBUSYOH-ZDUSSCGKSA-N 393.535 -0.415 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCNC(=O)C2)cc1 848943640 UCPNQYFYYBVXSD-NSHDSACASA-N 386.455 -0.612 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)C[C@H]1C1CC1 854809853 WOCVBBYQBJLVEZ-ZDUSSCGKSA-N 397.478 -0.239 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@@H]1O 964613049 ACEMYBFIQDBDTC-RZFFKMDDSA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@@H]1O 964615107 GPLUZLPFOCBYEK-WCVJEAGWSA-N 377.445 -0.583 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 964974803 VVLLEJDAMSIJJP-KBXIAJHMSA-N 389.456 -0.486 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]21 975260571 IBVJNKGOCDBANN-SYQHCUMBSA-N 376.413 -0.811 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1O 1023939720 NJRTXLXLSROVFO-XZDPQHSOSA-N 375.425 -0.332 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC1CCS(=O)(=O)CC1 1110462171 ZZPSSXORVHSRRT-OAGGEKHMSA-N 381.498 -0.328 30 20 GBED CS(=O)(=O)CCCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1117072724 CELIUPGICXLLCU-INIZCTEOSA-N 392.481 -0.226 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1 1117628531 HUGFPIMQRHWZHN-CYBMUJFWSA-N 375.491 -0.130 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(CCO)Cc1cccnc1Cl 1117633934 KJBRPJGISVOJBV-UHFFFAOYSA-N 389.861 -0.227 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccccc2)C1 1120461335 CCZWNZJUVPQEFN-QGZVFWFLSA-N 394.453 -0.901 30 20 GBED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNS(C)(=O)=O 1297289062 CHADCYDMSSONQS-CQSZACIVSA-N 397.505 -0.460 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N(C)C 1320675268 KLTILWMEDRBHLF-UHFFFAOYSA-N 392.412 -0.238 30 20 GBED C=CCn1cnnc1S(=O)(=O)[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 1322782277 UAMTXWURWFZHHH-MNOVXSKESA-N 376.460 -0.728 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC1CCN(C(=O)c2ccco2)CC1 1324395718 NOPFYKYJQOAQCM-UHFFFAOYSA-N 397.453 -0.283 30 20 GBED CN(C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCNC1=O 1327107268 HAAVBICAYATQPL-LSDHHAIUSA-N 383.408 -0.878 30 20 GBED CCNS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 1327967013 IDUTWYHPKAFZCX-UHFFFAOYSA-N 399.498 -0.676 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 1329098987 NGDWNQSNIMKOGL-UHFFFAOYSA-N 378.473 -0.655 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC3(CCNCC3)CO2)CCN1C1CC1 1334006755 KABYCRMLRPWHFG-HZPDHXFCSA-N 375.473 -0.540 30 20 GBED C=CCn1c(CN2CCC(O)CC2)nnc1N1CCN(S(C)(=O)=O)CC1 1339597609 AHXAENHSUMRRQT-UHFFFAOYSA-N 384.506 -0.498 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@H]2CCCCS2)CC1 1344045460 FCERSEBOYSJJHS-CYBMUJFWSA-N 385.519 -0.452 30 20 GBED CNC(=O)c1ccc(CS(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 1347057200 RJYVTEPSAPIYSU-ICFOKQHNSA-N 392.437 -0.008 30 20 GBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 1349046266 RAGALNBYOHTTCQ-UONOGXRCSA-N 375.429 -0.912 30 20 GBED C=CCOCCNC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1 1350581202 ZETWMCAYNHIHNV-UHFFFAOYSA-N 375.472 -0.196 30 20 GBED C#CCOCCC(=O)NC[C@@H]1COCCN1c1cc(C)ncc1-c1nn[nH]n1 1573287555 DDPQFDQITLQHBV-CQSZACIVSA-N 385.428 -0.069 30 20 GBED C=C[C@](C)(O)CC(=O)N1CCC(O)(CN=c2cc[nH]cc2-c2nn[nH]n2)CC1 1573309939 QFFKKQUAQAVDNO-KRWDZBQOSA-N 387.444 -0.224 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)[C@H](C)C2)nn1 1573351233 OPXIOSRDYKJUGY-GHMZBOCLSA-N 381.404 -0.571 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2COCCN2)nnc1N(C)CCc1cnccn1 1574936651 NKADGYGHDZALDP-HNNXBMFYSA-N 386.460 -0.290 30 20 GBED N#C[C@@]12CN([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C[C@H]1CS(=O)(=O)C2 1581859754 UDDHZVDRHXGDPT-XEZPLFJOSA-N 387.425 -0.737 30 20 GBED C#CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNCc1ccc(-c2nn[nH]n2)c(F)c1 1588356816 GLWAJWBJMLLZHA-GXTWGEPZSA-N 390.419 -0.047 30 20 GBED C=CCNC(=O)CN1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588658610 CACDROFQZPTPOO-QGZVFWFLSA-N 388.432 -0.946 30 20 GBED C[C@@H](CC(=O)O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1604113663 FBNTZBWABGKQIP-ZDUSSCGKSA-N 394.453 -0.156 30 20 GBED CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](CCC#N)C(=O)O)c1 1777036109 PMXBCORIMNMHHA-LBPRGKRZSA-N 375.428 -0.028 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2cnnn2)C3)c1 1780177670 AJDFGHCLSNQKBX-CRAIPNDOSA-N 398.427 -0.299 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782954919 YNEQNDASDQICPO-IIDMSEBBSA-N 398.481 -0.568 30 20 GBED C[C@H]1CCc2c(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)n[nH]c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c1cc(O)n[nH]1)C2 1792488484 CTVXNCITQKCMCL-SVECEJSWSA-N 389.412 -0.823 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOC1=O 1793162431 KPOWLRHMKVSIST-HGTKMLMNSA-N 381.429 -0.381 30 20 GBED C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1793366975 ZNFAUNGFVNJCFD-YIYPIFLZSA-N 385.486 -0.194 30 20 GBED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)CN)c1 1796343235 GLEHGCPTRDFYDS-UWLPGLTFSA-N 385.468 -0.197 30 20 GBED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/N1CCCCC1)[C@@H]1C[C@H](O)CN1 1798431170 HRTYQDKNSDIXEE-NWNCJMAWSA-N 377.489 -0.181 30 20 GBED COC(=O)CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1801074789 BOQNQPVLNJAKER-HBCWATKFSA-N 394.424 -0.213 30 20 GBED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OCC)C2 1801166837 FEWYZHCISXSSIT-FSDCSDTHSA-N 395.456 -0.166 30 20 GBED N=C1NCCN1CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200667 PUYOJRHUGIQJSE-GFCCVEGCSA-N 387.400 -0.670 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cncn4)C3)C2)C1 1829666749 MBAUUINNXVKJSF-GOSISDBHSA-N 375.429 -0.299 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1831438216 MOTVMABDKKDQKT-WNSDDWSPSA-N 394.468 -0.074 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835397296 FJOZNEMGPSUXNP-WMLDXEAASA-N 387.502 -0.907 30 20 GBED C=CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1835765777 ZPYUENFIJNARSH-HXUWFJFHSA-N 394.516 -0.215 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCOC4)C3)C2)c1 1838742015 MGDNXAPGBCAHCF-HNAYVOBHSA-N 388.424 -0.007 30 20 GBED CO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742073 PPEQJJZUJDQHHG-ACJLOTCBSA-N 376.413 -0.009 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1840157326 LOIWNJLDJQMTIZ-BLLLJJGKSA-N 388.490 -0.968 30 20 GBED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1840291782 FYTPNDJCLDZJGV-HNAYVOBHSA-N 393.440 -0.255 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)CCC1 1840812985 WWFHNMBMPKUBDL-AUUYWEPGSA-N 390.440 -0.585 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1843008360 YODKBZMPBMFHGW-LBPRGKRZSA-N 384.396 -0.727 30 20 GBED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1847071033 WOWSKTDNPOAATP-GFCCVEGCSA-N 381.429 -0.583 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(O)CC2)CC1 21581873 ZIJJGVSGGREULR-UHFFFAOYSA-N 392.481 -0.152 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H]3[C@H](CCCN3C)C2)c1=O 164747124 ZSXTYOROLSVUFR-CVEARBPZSA-N 375.473 -0.083 30 20 GBED CC/N=C(/NC[C@@H]1CCS(=O)(=O)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 262580609 QHUQFYUEKDWNOV-LSDHHAIUSA-N 386.518 -0.290 30 20 GBED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 275678781 PDOHAGUOAUXVIH-NEPJUHHUSA-N 377.401 -0.027 30 20 GBED N#Cc1cccc(NC(=O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 280981839 MPMXGEOXXBXSRK-UHFFFAOYSA-N 385.424 -0.500 30 20 GBED C=CCSCCNC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 286534351 QCWZAORKJGBEHJ-UHFFFAOYSA-N 377.470 -0.136 30 20 GBED C=C[C@@H](CO)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 290303672 XOGJJXYBHDKONO-ZDUSSCGKSA-N 390.483 -0.159 30 20 GBED CN(C)C(=O)[C@H]1CC[C@@H](/C(O)=N/CCS(=O)(=O)N2CCSCC2)O1 329286134 OPMUAQRBVWXGPH-NWDGAFQWSA-N 379.504 -0.043 30 20 GBED COCCN1CC[C@H](/N=C(/O)N2CCS(=O)(=O)C[C@H]2c2cnn(C)c2)C1 329916204 DNUZZDWZLCWRGK-GJZGRUSLSA-N 385.490 -0.174 30 20 GBED CC(C)/N=C(/O)NC(=O)[C@@H](C)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 330649998 WWCLSVJGKPZEEX-GFCCVEGCSA-N 381.433 -0.893 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 418827685 LXKYVXBFCUIXNX-INMHGKMJSA-N 378.473 -0.493 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)n1 441953959 GFSLQBMWVQQGKL-KRWDZBQOSA-N 379.417 0.483 30 20 GBED CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 502288570 BCZFOCFFPFLBRE-HZPDHXFCSA-N 387.440 -0.088 30 20 GBED N#CCN1CCN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 524614004 WCHDNSMWBKICJS-UHFFFAOYSA-N 378.454 -0.011 30 20 GBED N#CC1(NC(=O)CN2C(=O)C(=O)N(CCCN3CCOCC3)C2=O)CCC1 526126820 XDECJDWGKALFET-UHFFFAOYSA-N 377.401 -0.938 30 20 GBED N#Cc1ccc(C(=O)CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 557106126 IIXKECVFIGVZQD-GJZGRUSLSA-N 389.433 -0.107 30 20 GBED N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)n1 567835223 FWVIXSFAUAVQOU-GFCCVEGCSA-N 377.426 -0.035 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)cc1 570642427 POEDYEPPQGNPAM-OAHLLOKOSA-N 397.478 -0.032 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)O)C2)CC1 591567385 YFKVQYOTPTWASP-HNNXBMFYSA-N 390.371 -0.342 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCn2cnc3sccc3c2=O)CC1 728532877 NASOEVISVRNVPC-UHFFFAOYSA-N 387.465 -0.258 30 20 GBED Cn1cnn(CC(=O)NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1=O 765589791 NVKGBJZEMZLYDE-UHFFFAOYSA-N 389.315 -0.023 30 20 GBED N#Cc1cccc(CC(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)c1 778129155 FQCOYOIFAPXMTK-ZDUSSCGKSA-N 379.394 -0.343 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(C)nn(COC)c2C)CC1 788618293 ZZBLXLXCPAKPCE-UHFFFAOYSA-N 383.474 -0.840 30 20 GBED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)C(=O)OC 837628331 MHWWJYSKOCVGGN-QWHCGFSZSA-N 397.453 -0.066 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CC(=O)N(C)C2)cc1 848941537 SPPYPGXYUOUHMW-UHFFFAOYSA-N 396.450 -0.746 30 20 GBED C#CC[C@@H](CCOC)NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 875920179 XACPALBMZGBUQU-AWEZNQCLSA-N 378.429 -0.582 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2noc(CCOC)n2)C[C@@H]1O 1083853241 JWIJNEJYWRMEHK-LOUJCGABSA-N 380.445 -0.099 30 20 GBED N#Cc1cccc(CNC(=O)C(=O)N2CCN(C(=O)N3CCOCC3)CC2)c1 1117012544 KXIQDBSBXWMMSS-UHFFFAOYSA-N 385.424 -0.229 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCC(C)(C)[C@H]2COCC23OCCO3)nn1 1118116615 HEYJXPNZKNINQV-CQSZACIVSA-N 393.444 -0.388 30 20 GBED CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 1118355129 DQFFGMLXPUISAH-HIFRSBDPSA-N 376.438 -0.188 30 20 GBED CS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1316362834 MTKPAJHBFGCDFU-CQSZACIVSA-N 391.457 -0.458 30 20 GBED Cn1ccnc1CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1322554251 PMBNUMCHKGWKRX-HNNXBMFYSA-N 380.408 -0.175 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CCC[C@@H](OCCO)C3)CC2)c1 1326851440 GNRZWDRQFVPQOC-MRXNPFEDSA-N 387.440 -0.398 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 1327021013 IXQFCDZXGWOZRA-LJQANCHMSA-N 391.472 -0.980 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](C(=O)NCCC)C2)C1=O 1331193549 QDAWYDBQIAFPIT-CABCVRRESA-N 378.473 -0.004 30 20 GBED C=CCN(C(=O)C(=O)N1CCC(n2cc(C(N)=O)nn2)CC1)[C@@H](C)COC 1335035201 MCZSLYFPNLOCIF-LBPRGKRZSA-N 378.433 -0.410 30 20 GBED C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)CC1 1341898957 PTJGGWOHORKERE-DJJJIMSYSA-N 391.472 -0.410 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(C)CC2)c1 1347515239 VAIVNCSADFWVSI-UHFFFAOYSA-N 380.470 -0.345 30 20 GBED C=C(CNC(=O)[C@H](C)CS(C)(=O)=O)CNC(=O)[C@@H](C)CS(C)(=O)=O 1351104878 CLEQSPVROGGXOF-TXEJJXNPSA-N 382.504 -0.864 30 20 GBED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(O)(C(N)=O)CC2)CC1 1559832251 NUFWJIVXOBUGNE-CQSZACIVSA-N 391.497 -0.231 30 20 GBED C#Cc1cncc(C(=O)NC[C@H]2CN(c3cnc(-c4nn[nH]n4)cn3)CCO2)c1 1573291839 KJNRPEJWLGBZEI-AWEZNQCLSA-N 391.395 -0.332 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[nH]n3)nn2)C1 1573351639 UVCKDDFOZRTORP-BTJLNZGRSA-N 386.416 -0.695 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)O)CC1 1573368227 KGOTUKVAYFPGCE-NSHDSACASA-N 377.405 -0.669 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H](O)CN(C)C(=O)[C@H](C)OCc2cnn[nH]2)cn1 1575022477 QCXUTIATLVIGRG-BLLLJJGKSA-N 386.412 -0.665 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(N(CCO)[C@H]2CCCN(C(=O)[C@@H](C)C#N)C2)n1 1580643610 VGCCULIUGGYAAC-AAEUAGOBSA-N 385.432 -0.086 30 20 GBED N#CCc1ccccc1CC(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O 1581859600 LYGWPGUASXZAFD-UHFFFAOYSA-N 380.368 -0.446 30 20 GBED N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)N1CCC(C(=O)N2CCCC2)CC1 1581860461 AYCUKJCRWWZLCZ-UHFFFAOYSA-N 383.416 -0.204 30 20 GBED C#CCNC(=O)CN1CCN(Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 1588354708 WSBCQEKYGJNGST-UHFFFAOYSA-N 384.400 -0.358 30 20 GBED C#Cc1ccccc1CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[nH]n2)nn1 1588377237 STKKSGAGSKFHIB-CQSZACIVSA-N 378.396 -0.230 30 20 GBED C=CCCn1cc(C(=O)NCC[C@@H](C)N=c2cc[nH]c(-c3nn[nH]n3)n2)nn1 1588620930 NBLXVPJFUDLPJF-LLVKDONJSA-N 383.420 -0.133 30 20 GBED C=CCOCC(=O)N1CCCO[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588671603 LHVNCKFNMMORIN-CYBMUJFWSA-N 389.416 -0.255 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)O)c1 1588847694 HAKZJNPGVLHCDH-CYBMUJFWSA-N 381.410 -0.434 30 20 GBED N#Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)nc3)C[C@H]2O)c[nH]1 1606359633 BXKDWLQPJRGXPK-UKRRQHHQSA-N 379.384 -0.169 30 20 GBED COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(F)c1C#N 1665947582 XFZCYLUBLYXWGK-LLVKDONJSA-N 376.387 -0.342 30 20 GBED CC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)COC1 1706963179 VOPWIMREWXUEMO-QWHCGFSZSA-N 381.458 -0.055 30 20 GBED C[C@@H]1OCC[C@]1(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1708277733 IHLCXFMIPZJOJH-JRATXPSKSA-N 376.417 -0.502 30 20 GBED C=CCNC(=O)NC(=O)CN1CC(N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1754579274 KTKDVFOQXCAWDX-DUVNUKRYSA-N 380.445 -0.808 30 20 GBED CC(=O)NCCN([C@H](C)C(=O)O)S(=O)(=O)CCOC1(C#N)CCOCC1 1776203654 CIBKRXYYKCRQNQ-GFCCVEGCSA-N 391.446 -0.683 30 20 GBED C[C@H]1CCc2c(C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)n[nH]c21 1777855770 YZPUDIPKQQLMDC-HXPMCKFVSA-N 386.408 -0.009 30 20 GBED O=C1CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)N1 1779137521 QJQWNBOCFYZQSU-CJYHMYKKSA-N 388.424 -0.193 30 20 GBED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780247335 IRSFWLQYYMVTRO-HBRDKIMXSA-N 399.407 -0.075 30 20 GBED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)C2 1782188755 OYHGZSULTLFEJS-RZQQEMMASA-N 392.500 -0.103 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1783562088 BIOOZXIBRNHBRQ-GOSISDBHSA-N 383.364 -0.739 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1783566560 WRSUKABDSQDGQD-JXFKEZNVSA-N 383.404 -0.059 30 20 GBED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)CN)CCO2 1785378823 RUNDHHOKVARNBB-KXBFYZLASA-N 387.440 -0.947 30 20 GBED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=N)N)C[C@@H]32)c1 1789507898 SNPLWEGZLSAZOM-JYJNAYRXSA-N 384.440 -0.365 30 20 GBED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2 1793382963 MDJXOVZPQRHNHZ-BAESOJJISA-N 380.470 -0.073 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCSCC2)C3)CC1 1795409805 QERDDYFOWKHBMY-MIFYACCESA-N 378.498 -0.071 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 1798632784 VJNIBVJSKGAKKM-NFFDBFGFSA-N 376.413 -0.436 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)ON=C(C)C 1799394063 SWNYRBYDAKTAMD-AHDPXTMNSA-N 397.476 -0.176 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1830056346 UYRQHOXFABTDIG-LJQANCHMSA-N 392.456 -0.385 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830575436 DWMAOMLTHYKLJH-QAVIERHMSA-N 380.441 -0.748 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1834758587 PZGXTQVXLUEJPQ-KRWDZBQOSA-N 391.453 -0.061 30 20 GBED CNCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838734803 LMUKJLQYUBSVHR-IBGZPJMESA-N 389.456 -0.044 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1840159023 VGLBNSDUIAIHMA-ZBEGNZNMSA-N 384.458 -0.486 30 20 GBED C=C(C(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1)C(F)(F)F 1844297865 LTLIVFBVHCPKCS-CYBMUJFWSA-N 377.363 -0.041 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)C1=O 198377225 GLIIPMIBCIHVDO-UHFFFAOYSA-N 394.409 -0.148 30 20 GBED Cn1c(N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)c(C#N)c(=O)n(C)c1=O 274093088 AKOYRJSJEOVNTE-MRXNPFEDSA-N 397.435 -0.162 30 20 GBED CN(CCN1CCOCC1)C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 298105319 ODTPQDAVRRFRMY-UHFFFAOYSA-N 386.456 -0.608 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)cc1 299516723 KSUPBEDYEIMFJX-AWEZNQCLSA-N 375.406 -0.382 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(/C(O)=N/Cc3cnn(C)c3)CC2)cn1C 330082131 PYFIZSOSPOGOTP-UHFFFAOYSA-N 381.462 -0.117 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 330650303 JJYWAIOPKWWJAX-BEFAXECRSA-N 393.488 -0.568 30 20 GBED Cn1[nH]cnc1=NS(=O)(=O)CCCS(=O)(=O)NCC1(C#N)CCCC1 349535864 MBCARXVKISUPCC-UHFFFAOYSA-N 390.491 -0.628 30 20 GBED CCN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H]1CCNC1=O 374493215 VUHDONWLSPJAQM-CQSZACIVSA-N 384.371 0.559 30 20 GBED C[C@H](CCN)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 419992433 JJJADLJWOJHXCL-CYBMUJFWSA-N 393.469 -0.755 30 20 GBED COc1ccc(CCNc2c(C#N)c(=O)n(C)c(=O)n2C)cc1S(N)(=O)=O 537662775 FTGYKJQPUDEBRD-UHFFFAOYSA-N 393.425 -0.734 30 20 GBED C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCC(=O)NCC#N)c2)C[C@H](C)O1 588077605 CQXIYLKTVDGTIO-STQMWFEESA-N 394.453 -0.146 30 20 GBED C[C@H](N)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 591366055 SHZIEDQYXMKURU-JQFCIGGWSA-N 399.451 -0.256 30 20 GBED CC[C@@H](CNS(C)(=O)=O)NS(=O)(=O)c1ccc(C#N)cc1C(=O)OC 593603702 XLCRIJNZNDVLQZ-NSHDSACASA-N 389.455 -0.049 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)cc1 594628331 IMAMRGSKRKXRTN-RYUDHWBXSA-N 398.466 -0.470 30 20 GBED CCOCCS(=O)(=O)NCC(=O)N=c1nc(C)[nH]n1-c1ccc(C#N)cc1 598685598 PAWNTYNKLCHFAL-UHFFFAOYSA-N 392.441 -0.236 30 20 GBED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@H](O)COc1ccccc1C#N 599257930 RELQYYVIVXZDLQ-HOTGVXAUSA-N 395.481 -0.077 30 20 GBED C=CCOCCCC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 742553965 SGXILDAEADBBNA-AWEZNQCLSA-N 394.515 -0.370 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1cnn(CC#N)c1 763028551 HCEWXIOZGXGJTJ-JTQLQIEISA-N 376.398 -0.189 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@H](COC(C)C)C2)c1=O 769814406 NBTGYVJAAACXDI-HNNXBMFYSA-N 380.445 -0.373 30 20 GBED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCOC)c2=O)cn1 772278169 MEYIAFQMFKDXTG-UHFFFAOYSA-N 385.449 -0.365 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCOC[C@@H]1c1ncon1)c1cc[nH]n1 772489844 YBCDKWXJBKZCHJ-LLVKDONJSA-N 378.345 -0.323 30 20 GBED Cn1cnn(CC(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1=O 790862822 VEDDBNRKGQRRAJ-UHFFFAOYSA-N 389.315 -0.023 30 20 GBED CN1CCC(N2CC[C@H](NC(=O)C(=O)NCCNc3ccc(C#N)cn3)C2)CC1 806210849 KERZVKARUAASAH-INIZCTEOSA-N 399.499 -0.234 30 20 GBED C#CC[C@H](CO)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 816674016 OBRZROSDLQQIPQ-OAHLLOKOSA-N 395.481 -0.053 30 20 GBED C#CCO[C@@H](C)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 822509484 IPFTZXGEWKUECZ-HNNXBMFYSA-N 380.470 -0.312 30 20 GBED Cn1cc(C=NNC(=S)NCC(N)=O)c(-c2ccc(-c3nn[nH]n3)cc2)n1 826359985 UMSBTXPQSYXNPS-UHFFFAOYSA-N 384.429 -0.450 30 20 GBED CO[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@](C)(C(=O)O)C1 864182284 YMIXTPXGZZCKNF-MGPLVRAMSA-N 381.410 -0.184 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC(=O)NC[C@@H]2c2ccccc2)c1=O 902564629 VCVSGJPUBGDJRA-MRXNPFEDSA-N 397.435 -0.326 30 20 GBED Cn1cnc2c1c(=O)n(CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1)c(=O)n2C 916900273 XPABCLMPHYWSOQ-GFCCVEGCSA-N 380.364 -0.219 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1 940520720 ACAUYMZZPZOWRH-GBOPCIDUSA-N 390.440 -0.748 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)cs2)C1 966208590 JLNMRJIBMRAXOB-NDBYEHHHSA-N 379.438 -0.260 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cccn(C)c2=O)C1 969332409 WXEKIDYKFRUJRE-OJLVUWQFSA-N 375.425 -0.332 30 20 GBED C=CCn1cc(C(=O)N2CC(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)nn1 1003633760 UCWJQOJTEJZNKW-OFQRWUPVSA-N 375.429 -0.296 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1O 1023939944 ULLQKRBVDCBRKZ-BORJPKMPSA-N 379.457 -0.332 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)nn1 1023972452 JMQQWGVUNKJPKQ-KLZNWCGWSA-N 382.424 -0.036 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCN(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1073573158 YIPHFOOAYMCKEV-GGURZLOHSA-N 387.480 -0.197 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@@H]1O 1083470702 ICTNYFKTNKSIHT-NCOADZHNSA-N 386.514 -0.046 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1185495629 IZVXSKMOGWVDAV-ZDUSSCGKSA-N 399.517 -0.099 30 20 GBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 1193049367 WJDPPVGSLYGBLA-QBPKDAKJSA-N 387.484 -0.383 30 20 GBED C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1C 1215554111 BREORTXZDAEWNE-YIYPIFLZSA-N 379.461 -0.841 30 20 GBED CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1ccn(CCC#N)n1 1319536324 IVSGMGRJCRNCQK-CQSZACIVSA-N 389.460 -0.206 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1ccnc(N2CCOCC2)c1 1323080221 BUWSJPBHMNUVBD-UHFFFAOYSA-N 396.469 -0.749 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)CCO1 1325072189 NYWUMSZHYFMIHP-INIZCTEOSA-N 391.472 -0.716 30 20 GBED C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 1325893628 ZHUISJPEFVSKBO-NSHDSACASA-N 390.425 -0.031 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CC[C@H](N2CCCCC2)C1 1326597726 UHFVJKDNFGVDBK-VUAZUDAXSA-N 389.456 -0.284 30 20 GBED COc1ccc(OC)c(CN(CCO)C(=O)C(=O)N2CC[C@](O)(CC#N)C2)c1 1328426003 MZPGASRTNCFEDV-LJQANCHMSA-N 391.424 -0.098 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 1330772420 AYGMYPWNKVPVAO-UKRRQHHQSA-N 385.486 -0.280 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 1331677698 VJPKNSOFNFWADF-GFCCVEGCSA-N 390.458 -0.728 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NCc1ccc2c(c1)COC2 1341202536 KPVDSKSLGCCNED-WUKNDPDISA-N 384.392 -0.024 30 20 GBED COCCO[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)C1 1348381559 DIRLSIGTRNCTTC-MRXNPFEDSA-N 387.440 -0.134 30 20 GBED C#CCOCCC(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nn[nH]n2)s1 1573287074 LOCNMJBMFDARAT-MRVPVSSYSA-N 385.837 -0.095 30 20 GBED C#CCOCCC(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2cnn[nH]2)nc1 1575013785 UGJTWNDLJNZRLU-CQSZACIVSA-N 386.412 -0.544 30 20 GBED Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c(C#N)cn1 1580974208 RCOQBGNVCXLFSV-UKRRQHHQSA-N 379.384 -0.251 30 20 GBED C=CCNC(=O)[C@H](C)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588657020 FHQBVDCIBTZUIF-AAEUAGOBSA-N 388.432 -0.684 30 20 GBED N#CCSCC(=O)NC1(CNc2ccc(-c3nn[nH]n3)nn2)CCOCC1 1592679412 PSLCWMLLAFYUHQ-UHFFFAOYSA-N 389.445 -0.009 30 20 GBED CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCO[C@H](CC(=O)O)C1 1598437107 NXFZBFQCZOLRGR-CABCVRRESA-N 375.381 -0.248 30 20 GBED Cc1cc(=NC[C@@H](O)CN(C)C(=O)CSCC#N)c(-c2nn[nH]n2)c[nH]1 1605728234 CJXSPGBLLSTGTB-LLVKDONJSA-N 376.446 -0.520 30 20 GBED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCOCC1 1692543233 IRGSKQGSLPMUDO-CYBMUJFWSA-N 378.433 -0.313 30 20 GBED CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1768297789 RIBKEYFCVWKZLB-NHYWBVRUSA-N 399.452 -0.390 30 20 GBED CC(=O)N(CC(=O)O)C[C@@H]1CN(S(=O)(=O)c2ccsc2C#N)CCO1 1776201204 WGDJPQZDYRMKCK-LLVKDONJSA-N 387.439 -0.058 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1778780964 KWHYVDYFXPXDPT-LBTNJELSSA-N 399.444 -0.528 30 20 GBED NC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)c1ccccc1 1791076102 NAWFEHLHLAVWQL-MHORFTMASA-N 399.447 -0.203 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)cc1 1792777806 ATFUQWNJGSLFTN-DBWKPXFBSA-N 388.376 -0.551 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)C1CC1 1792896557 KOZYCSFNFGQGIE-GRHUKYIQSA-N 375.425 -0.587 30 20 GBED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](COC)NC(C)=O)C2 1793569142 UDJFRZKFJABPIF-USACIQFYSA-N 379.457 -0.186 30 20 GBED CC(C)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)CC1 1793800289 LTICFZKFJCJYLA-HGKCTWBKSA-N 391.468 -0.216 30 20 GBED Cc1nn[nH]c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598645 PZJBZNLNFSDTPO-AGGWBTHJSA-N 389.460 -0.402 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc2c1OCO2 1798473305 AWZZDOGRXNQHLZ-QHBPRCKVSA-N 387.348 -0.899 30 20 GBED CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)ON=C(C)C 1799396926 IXQQSDKTWPXPFW-LKAFINOVSA-N 382.461 -0.099 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N3CCOCC3)cn1)C2 1800450477 AUNYPPLVYIMTBC-CCWDJLKJSA-N 384.436 -0.245 30 20 GBED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1800995768 XSHMLVWVPXMALW-IVSAIRAKSA-N 382.482 -0.043 30 20 GBED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COCCOCCOCCOC 1802099733 HBPLJFVTUIVCHB-BJWYYQGGSA-N 382.457 -0.046 30 20 GBED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)CC1 1830203946 NHQRVVOPOAHWFD-JYJNAYRXSA-N 377.441 -0.583 30 20 GBED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(C)=O)CC2)CC1 1833469461 YBXLWWXIOJJHJX-OAHLLOKOSA-N 392.500 -0.268 30 20 GBED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834756302 VPDBQISKDWLGRR-GOSISDBHSA-N 380.445 -0.481 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1834760440 MKYZDYUPPWBPAH-QGZVFWFLSA-N 385.384 -0.892 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)CC)C2)C1 1839173113 ARNSFYVBQYRNNJ-DNVCBOLYSA-N 398.456 -0.277 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039846 IQYPWMXNRPSXGA-NVXWUHKLSA-N 384.454 -0.515 30 20 GBED CN1CCN(CC(=O)N2CCCC23CN(C(=O)C(C)(C)NCCC#N)C3)CC1 1843914298 SPXNWPZMIJLZOM-UHFFFAOYSA-N 390.532 -0.281 30 20 GBED CCS(=O)(=O)NCCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 24787358 GWYBOJYCBPICKR-UHFFFAOYSA-N 388.471 -0.452 30 20 GBED Cn1c(N)c(C(=O)CN2CCN([C@@H](C#N)c3ccccc3)CC2)c(=O)n(C)c1=O 174578980 LIJMRTVWFWQMPJ-HNNXBMFYSA-N 396.451 -0.269 30 20 GBED C=CCS(=O)(=O)CCNS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 272865290 RHTXUTOIBQZTPJ-UHFFFAOYSA-N 396.512 -0.184 30 20 GBED CCOC(=O)CO/N=C(\C(=O)N(CCS(C)(=O)=O)C(C)C)c1cc[nH]n1 278820652 UOAOLLJMALLZLB-JXAWBTAJSA-N 388.446 -0.025 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)[C@@H](C)[C@@H]1C 349461634 KKRAWRUMYRLRDV-KBPBESRZSA-N 380.536 -0.094 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)CCO1 409589655 VHQMOPMGBOXDCX-JKSUJKDBSA-N 378.454 -0.065 30 20 GBED CCNC(=O)COc1cccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)c1 409592181 BNICFPATOCFHNN-OAHLLOKOSA-N 382.442 -0.240 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CNCCO3)CC2)cc1 418770101 QMOZGGVHZATVLL-HNNXBMFYSA-N 393.469 -0.437 30 20 GBED COc1ccccc1NC(=O)CN1CCN(C(=O)Cn2cnc(C#N)n2)CC1 441567729 FOVLSPBDQIHRFA-UHFFFAOYSA-N 383.412 -0.059 30 20 GBED C=CCN1C(=O)C(=O)N(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)C1=O 497679466 PUPYLPBJTHTBTN-UHFFFAOYSA-N 390.381 -0.457 30 20 GBED C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 540312606 BLYUBCOJEQQOTE-LBPRGKRZSA-N 380.426 -0.078 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC[C@H]2CNC(N)=O)cc1 592758689 IUUXNNMDJFCQEV-ZDUSSCGKSA-N 379.442 -0.114 30 20 GBED CC[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1 594619410 NFSDXQBXTBSZCV-QWRGUYRKSA-N 388.471 -0.239 30 20 GBED C=CCOCCCNC(=O)C(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(CC)c1 595184159 RKOZTMAPXIUBBO-HNNXBMFYSA-N 398.485 -0.090 30 20 GBED NS(=O)(=O)c1ccc(NN=C2CCN(CCN3CCOCC3)CC2)nc1 731558593 BHYFVLRNZOROTR-UHFFFAOYSA-N 382.490 -0.075 30 20 GBED COC(=O)c1cn(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nn1 757600992 UZPBSGQAHQTPMS-WDEREUQCSA-N 378.389 -0.060 30 20 GBED C[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 783398203 ZCZWADPWNDHODZ-BXUZGUMPSA-N 393.421 -0.477 30 20 GBED COCCNC(=O)CN1CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 784558010 VHYJYRPRFKTWNA-UHFFFAOYSA-N 381.458 -0.910 30 20 GBED C#CCC[C@H](O)CNS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 798488272 KXWMGHSJSOUTHR-APPDUMDISA-N 395.437 -0.198 30 20 GBED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)[C@@](C)(C#N)CC(=O)O 820597492 USNYMONHYDBDEJ-MRXNPFEDSA-N 383.426 -0.080 30 20 GBED C#CCN(CC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)C(=O)OC(C)(C)C 825591278 KJLNXDPHZNSFCK-UHFFFAOYSA-N 391.432 -0.786 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)[C@@H](O)C2)cc1 848529106 SUJPVOYWTFKNED-BBRMVZONSA-N 397.478 -0.165 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1CCCN(C=O)CC1 848961661 IUWYXBSQTWYNAA-UHFFFAOYSA-N 394.519 -0.566 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 875042947 CFAFBSLSMRQHEZ-QGZVFWFLSA-N 387.484 -0.006 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@@H]4CCNC[C@@H]4C3)CC2)c1C#N 926350425 ALBXKGJGRBYZMK-LSDHHAIUSA-N 385.472 -0.683 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)CCn3cnnn3)C[C@@H]21 960458106 OAEGNUOLVXPNEE-FXUDXRNXSA-N 390.444 -0.517 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccnc3)C[C@@H]2O)nn1 963309292 AKMBZLICWXMYGA-HWMZRRJGSA-N 382.424 -0.036 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2c(OC)ncnc2OC)C1 968489588 XEEKMBPBSPLVFL-NDBYEHHHSA-N 392.412 -0.614 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(OC)n(C)n2)C1 969258273 UIPOUOVCVOGNQZ-RZFFKMDDSA-N 378.429 -0.289 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnc3nc(C)nn23)C[C@@H]1O 970701782 CPDHZJREINOBFF-UXOAXIEHSA-N 386.412 -0.675 30 20 GBED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@H]2CCS(=O)(=O)N2)[nH]1 996627490 PQJFURGLFFNAAB-RFHZTLPTSA-N 377.426 -0.560 30 20 GBED CC(C)(CN1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109449374 RDKZBOJDEZYVDL-PMPSAXMXSA-N 377.489 -0.294 30 20 GBED CN(C[C@@H](O)COCc1ccccc1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118184392 DHTXTLSXWOBSLR-VQIMIIECSA-N 375.425 -0.100 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCC(=O)N(C)C)[C@H](c2cn(C)cn2)C1 1130675288 QUJVNHFAJOMVPZ-WTTBNOFXSA-N 375.473 -0.017 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCCNS(=O)(=O)CC)C[C@H]1OC 1213462487 AOPFCWSWHVSFMN-LVQVYYBASA-N 389.518 -0.278 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(CC#N)cc1 1320031276 ITTJGTWXPLFZIY-HNNXBMFYSA-N 395.437 -0.179 30 20 GBED C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 1325892525 NNYAGMPVYLRHCX-AWEZNQCLSA-N 396.455 -0.170 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@H](C)[C@@](C)(CO)C3)CC2)c1C#N 1333416885 NOOOWWXXWZZWMB-ORAYPTAESA-N 388.472 -0.274 30 20 GBED C#CCN1CCC[C@H]1c1nnc(N2CCN(S(=O)(=O)N(C)C)CC2)n1C 1338255670 XPEWKSXPYMGNTQ-AWEZNQCLSA-N 381.506 -0.486 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCOCCF)C2=O)cc1 1347574765 YIYPMORCHNKGFY-HNNXBMFYSA-N 376.388 -0.122 30 20 GBED CCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 1349073535 IWXHVTJBGKYHLX-JKSUJKDBSA-N 397.435 -0.093 30 20 GBED C#CCNC(=O)[C@H](C)NC[C@@H](C1CC1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588353050 FDFZGSLVBRAIJG-NHYWBVRUSA-N 384.444 -0.227 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]21 1588356164 UHADWRQOZBLMKC-SLEUVZQESA-N 383.412 -0.094 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@H]2[C@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H]2C1 1588359216 ZPFGQGUUKRZZLH-LPWJVIDDSA-N 383.412 -0.333 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccnc2C(=O)O)CC1 1588483791 JAVHEPJFWUXSKD-UHFFFAOYSA-N 380.426 -0.774 30 20 GBED C=CCOCC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 1588674346 MTYUAYDTDGIJCX-NSHDSACASA-N 387.400 -0.503 30 20 GBED CS(=O)(=O)NC1CN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 1591678746 VRABYHSGMHSHLW-LBPRGKRZSA-N 375.414 -0.691 30 20 GBED C=CCNC(=O)CNc1cc(C)nc(NCC(=O)NCC=C)c1-c1nn[nH]n1 1602864254 ZVMFCLFTIKUDTP-UHFFFAOYSA-N 385.432 -0.002 30 20 GBED N#CCSCC(=O)N[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2Cl)C[C@@H]1O 1606351501 UGYWRPDMVIMQQB-MNOVXSKESA-N 394.848 -0.162 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](CC)NC(N)=O)CCO2)C1 1778971306 NDIAYJRJTCAGML-BIENJYKASA-N 396.488 -0.164 30 20 GBED CC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779106485 KJOIJWVEELWZMX-CPIJOOSUSA-N 396.444 -0.519 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1781391398 UIFBDKPWRKLUFJ-QFBILLFUSA-N 396.488 -0.051 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 1784504024 JEMNCSZXTMHKMV-YXWQFLTLSA-N 390.440 -0.046 30 20 GBED C=CC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1790825380 CCPYUBUPNSIXIW-LXFSFDBISA-N 392.456 -0.224 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cncnc1)C2 1792484624 QTLBFRQOHFHJTL-FBMORMATSA-N 399.451 -0.533 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CNC(=O)OC(C)(C)C 1792889870 XYVGCYIEZNDGNK-QVHKTLOISA-N 381.429 -0.905 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOC1=O 1793163528 KJETWQSMBOHLJM-FQLMCAECSA-N 395.456 -0.399 30 20 GBED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cnnn2)cc1 1795859086 YAKSKXWYZJNCPH-SCAQPMJSSA-N 381.396 -0.552 30 20 GBED CS(=O)(=O)N1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)CC1 1797137720 AHMRBDKGDIFUDF-MIFYACCESA-N 398.485 -0.839 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1 1797621966 UMIGDZXJFUNGIE-JFILPPLUSA-N 392.460 -0.500 30 20 GBED C[C@@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1801369578 ZGMJNKUKQFMRQZ-ZUMXRPEOSA-N 387.392 -0.474 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1812876261 GKKVEGSAUOCVFE-GLJUWKHASA-N 384.392 -0.546 30 20 GBED CC(=O)NCCC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812881134 UVXWZOGJZCWESN-BEFAXECRSA-N 386.408 -0.298 30 20 GBED CC(C)CNC(=O)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825665280 ANGOBHMURBCWJK-SNVBAGLBSA-N 392.437 -0.085 30 20 GBED Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)no1 1832921174 VRNZBXQLOZIUCD-LJQANCHMSA-N 388.424 -0.210 30 20 GBED Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)n1 1834052133 UOPWQGOPVCNWEK-IBGZPJMESA-N 387.392 -0.452 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1834760384 BALMCUISPQEHHU-SFHVURJKSA-N 384.396 -0.058 30 20 GBED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338346 FEPFNINPZQHHGL-IFXJQAMLSA-N 392.456 -0.339 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)n[nH]4)C3)C2)CC1 1835343056 YPFNFQNDEMPGTH-QGZVFWFLSA-N 375.385 -0.511 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc(O)[nH]4)CCO3)C2)CC1 1838064589 MJCXLEFJVKSEFP-KRWDZBQOSA-N 375.385 -0.511 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1839094854 XZBWAAPHMZVCAN-LWYAVPFISA-N 395.431 -0.341 30 20 GBED CN1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1840573016 DLYQNXXFKDJZFJ-IBGZPJMESA-N 376.457 -0.302 30 20 GBED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCCN(S(C)(=O)=O)CC1 50169476 UQHPAHPKSLXYCR-UHFFFAOYSA-N 380.426 -0.001 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N(CC(=O)OC)CC(=O)OC)c1 68360221 MRCWHVKIZHJASI-UHFFFAOYSA-N 384.410 -0.061 30 20 GBED Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 265113012 HVBDDZWYOBSCKP-UHFFFAOYSA-N 376.438 -0.022 30 20 GBED C[C@@H](O)CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 291209986 KPFVVLGYDZBEOJ-CQSZACIVSA-N 380.470 -0.296 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)Cn2cc(S(=O)(=O)N(C)C)cn2)CC1 330750551 AYISSOZSAFAEFO-HNNXBMFYSA-N 382.490 -0.174 30 20 GBED CN([C@H]1CCNC1=O)S(=O)(=O)CCCS(=O)(=O)N[C@]1(C#N)CC1(C)C 349467417 SDNRCVPUSSWLLG-FZMZJTMJSA-N 392.503 -0.862 30 20 GBED N#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@](F)(C#N)C1 349490162 GHEPGUYCUCSTDS-GFCCVEGCSA-N 377.423 -0.677 30 20 GBED C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N 349496284 GVOXYIIGWUFVAD-GFCCVEGCSA-N 380.517 -0.177 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN([C@@H]2CCC[C@@H]2O)CC1 369759894 KRCILDGODNFKEP-CABCVRRESA-N 392.481 -0.217 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CC(=O)N2CCNCC2)c1 440352031 TZOXGQXHBAIIOB-UHFFFAOYSA-N 380.470 -0.345 30 20 GBED COC(=O)[C@H]1CNC(=O)CN1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 468653558 XBIWOKPQUBZGNH-CQSZACIVSA-N 384.396 -0.350 30 20 GBED C[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 576879088 HZZQAMDZXDCPSD-QWRGUYRKSA-N 378.410 -0.342 30 20 GBED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCC(F)(F)CN)CC1 591429586 CVGWBAGKTYHUAI-UHFFFAOYSA-N 382.371 -0.218 30 20 GBED CC(C)NC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 594622949 XFMMQQFOMUBBNS-UHFFFAOYSA-N 388.471 -0.366 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CO)COC)cc1 594628753 HLAKLUFUZNUKEL-GFCCVEGCSA-N 391.471 -0.494 30 20 GBED CNS(=O)(=O)CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 600665527 HMERYOHACXLYTA-LLVKDONJSA-N 388.471 -0.719 30 20 GBED COC(=O)CN(CC#N)C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1 609992599 XEUVCSSSNUXUSP-UHFFFAOYSA-N 387.439 -0.092 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)cc1 658456976 ZSZBVIVKURABAP-KBPBESRZSA-N 395.437 -0.531 30 20 GBED N#CCCNC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734041384 YHQOVEOIRWKRRE-LLVKDONJSA-N 394.409 -0.740 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c(C(=O)O)c2)CC1 736076038 KFLDWZHHNXQUKN-UHFFFAOYSA-N 395.437 -0.551 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 756748914 ORMPHTQNYWSUPI-IAQYHMDHSA-N 385.446 -0.315 30 20 GBED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CN(C)C(=O)COC)c1 759870963 NQNBSGDAGOYEBQ-UHFFFAOYSA-N 387.436 -0.036 30 20 GBED Cc1ccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)nc1 761855545 PBMGCFYJBMXVGK-UHFFFAOYSA-N 389.462 -0.811 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1)[C@@H]1CCCO1 809309722 QWJNSQQMGSBILO-CABCVRRESA-N 397.439 -0.691 30 20 GBED CCCCN(C(=O)Cn1cnc(C#N)c1-c1nn[nH]n1)[C@@H]1CCS(=O)(=O)C1 825281872 LMWRAWDPWNVXFA-LLVKDONJSA-N 392.445 -0.249 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccnc(OC)n2)c1=O 839239070 INMJZBNWPCEMBV-UHFFFAOYSA-N 397.460 -0.239 30 20 GBED CCn1ncn(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1=O 854630114 UAOQGYTUNNRDEH-SNVBAGLBSA-N 378.414 -0.348 30 20 GBED COC(=O)C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 863966549 DVJIXCBGJNPXDZ-NSHDSACASA-N 397.409 -0.664 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(N(C)C)ccn2)CC1 896590719 CVRDUYFYSWPMGW-UHFFFAOYSA-N 380.474 -0.558 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnn2CCOC)C[C@@H]1O 964490476 VRBPSSBLCRORDK-FSDCSDTHSA-N 392.456 -0.188 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 994643060 UNCAMUZYSUSPRJ-SYQHCUMBSA-N 390.444 -0.821 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(N)=O)CC1 1001846527 TZCJKEOQSYWKDT-FZKCQIBNSA-N 379.457 -0.035 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(c2ccnc(C(=O)OC)n2)C[C@H]1O 1041392884 SVSARKNEYOHMEV-SYQHCUMBSA-N 376.413 -0.090 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnn(C)n1 1109841567 TYYTWUXRPONJJI-NMKXLXIOSA-N 375.433 -0.450 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1(S(C)(=O)=O)CCC1 1109909766 MIDFEBTYJNVNSX-KBXIAJHMSA-N 381.498 -0.187 30 20 GBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1121377056 OLQZEEFYAKNGLV-KGLIPLIRSA-N 387.488 -0.143 30 20 GBED CS(=O)(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1261204075 FNMJIKCPYGFTFJ-UHFFFAOYSA-N 385.467 -0.128 30 20 GBED C=CCn1c([C@@H]2CCC(=O)NC2)nnc1N1CCN(CC(=O)NCC)CC1 1262973961 RKQFFUIBFXFBGE-CQSZACIVSA-N 375.477 -0.284 30 20 GBED C#CCN1CCC[C@H]1c1nnc(N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)n1CCOC 1263253141 KDHHZAJGMMLCQW-ZNMIVQPWSA-N 386.456 -0.254 30 20 GBED CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1328968697 LYVOKBXOPLGBEA-CHWSQXEVSA-N 382.417 -0.511 30 20 GBED C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329453327 MWIVTPWNKDIMAT-GOEBONIOSA-N 377.489 -0.511 30 20 GBED COC(=O)C1(C#N)CCN(C(=O)C(=O)N(CCOCCO)C2CCC2)CC1 1333457399 OWZAYECMBSEVCX-UHFFFAOYSA-N 381.429 -0.318 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N(C)CCn1cccn1 1348366772 NLWBUUQSURHFGJ-CQSZACIVSA-N 382.428 -0.260 30 20 GBED C#CCN(C(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(C)C 1354397173 SUTKHTPRYHJXPI-UHFFFAOYSA-N 384.436 -0.255 30 20 GBED N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2COCCO2)CCO1 1521122721 XRMXSZLLGBKVGB-KBPBESRZSA-N 376.417 -0.342 30 20 GBED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCOC1 1541106424 WFBGERKEPVFYMH-XUJVJEKNSA-N 386.478 -0.364 30 20 GBED C#CCNC(=O)CC(=O)NC[C@]1(C)CCN(C(=O)[C@@H](C)OCc2cnn[nH]2)C1 1575004326 DKMIKLJLCKBNAS-ACJLOTCBSA-N 390.444 -0.796 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)c1 1581863164 YKMBKSQXEQXSES-LLVKDONJSA-N 380.372 -0.508 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 1588356771 ZYSSWDVMVXCIEB-YPMHNXCESA-N 376.392 -0.389 30 20 GBED C#CCOCCC(=O)NC1(CN=c2cc[nH]c(-c3nn[nH]n3)n2)CCOCC1 1588359088 HEAFEQRCKCAZRT-UHFFFAOYSA-N 386.416 -0.804 30 20 GBED C=CCOCC(=O)N1C[C@@H](OCC)[C@H](CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1588671173 AYPLHRQWXPIFTM-CHWSQXEVSA-N 388.432 -0.443 30 20 GBED C#CCO[C@H](C)C(=O)NCC1[C@H]2CN(c3nc(C)cc(-c4nn[nH]n4)n3)C[C@H]12 1602724334 CSWNEADADHBCDX-MRVWCRGKSA-N 382.428 -0.198 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC(C)(C#N)C1 1609125632 JAWICWKOIULQJC-SNVBAGLBSA-N 375.414 -0.094 30 20 GBED N#Cc1cn(CC(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)c(=O)nc1O 1631689748 IKWGCFPJCGVZHD-GJZGRUSLSA-N 375.429 -0.295 30 20 GBED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC)CCOC1 1696089040 LEOTWORQONJXNF-CXAGYDPISA-N 378.433 -0.205 30 20 GBED CCCNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1745783178 PGRKPRRIBVFSDG-STQMWFEESA-N 375.433 -0.126 30 20 GBED N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2cc[nH]n2)CCO1 1770748040 LRRYGKLEHRBBAL-STQMWFEESA-N 386.416 -0.336 30 20 GBED CC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779106487 KJOIJWVEELWZMX-HLNVMSFQSA-N 396.444 -0.519 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1779277989 KWQUREXSWWXUID-SPYBWZPUSA-N 377.441 -0.455 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c1 1780337992 NTPXKZJWIZYZIH-IFXJQAMLSA-N 385.424 -0.144 30 20 GBED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1781854590 MZTXCQJOZXZQRP-RDTXWAMCSA-N 396.444 -0.037 30 20 GBED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)CCC1 1785367128 XUGPMSFCFNBSEJ-SFHVURJKSA-N 387.444 -0.157 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC)NC)[C@H]2C1 1786964250 DQSOPRHZQABHGF-GVVOSDJISA-N 392.500 -0.178 30 20 GBED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21 1789957501 WQLJPZRHOXOVQY-YXMSTPNBSA-N 394.472 -0.097 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)C1CC1)C2 1795597602 OUXLFABTVBCWBD-QDMKHBRRSA-N 376.457 -0.163 30 20 GBED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2)N1CCN(C)CC1 1799182369 PNIOMCLZKXYTSM-WCXIOVBPSA-N 389.500 -0.484 30 20 GBED O=C(COCCO)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1799339583 ZOBSNCLJROKUOC-AVHWMUCRSA-N 399.444 -0.886 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2 1799397437 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-0.030 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1840160900 XHNJTYFUCONMKM-QFYYESIMSA-N 398.441 -0.724 30 20 GBED CN1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1840571190 DIPMLFYLZSVUOE-IBGZPJMESA-N 387.440 -0.482 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSC(=N)N)C3)C2)CCC1 1840812816 MYRCMKIMVXNUDZ-QGZVFWFLSA-N 395.485 -0.237 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(S(C)(=O)=O)n[nH]2)c1 60242189 SAUOOZZWXBPGDS-UHFFFAOYSA-N 385.427 -0.075 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCCN2CCC[C@H]2C(N)=O)c1 264608607 YUNZTCNKQLKVNJ-INIZCTEOSA-N 392.481 -0.332 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)CC1 264921979 PZKGMOKTZDWYHB-KDOFPFPSSA-N 378.498 -0.276 30 20 GBED CCS(=O)(=O)NCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 268776472 RTULRYMOHGHIDT-LLVKDONJSA-N 388.471 -0.719 30 20 GBED CN(C)S(=O)(=O)c1ccccc1CNC(=O)NCCn1cnc(C#N)n1 286614130 LMPTUZDFYWXUJH-UHFFFAOYSA-N 377.430 -0.101 30 20 GBED C=C[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 290476806 DLNUFVOISKVIKB-OAHLLOKOSA-N 381.454 -0.184 30 20 GBED CS(=O)(=O)N1CC[C@H](C/N=C(/O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C1 328840339 YZUPQPROXOFHKJ-NXEZZACHSA-N 386.396 -0.065 30 20 GBED Cc1noc(NS(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)c1C 349452029 CNYVTULUTQGCDV-UHFFFAOYSA-N 392.459 -0.287 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC1 349488918 GEYBQGWZKBVDTH-RWMBFGLXSA-N 377.488 -0.615 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)C(=O)[C@@H]1C 349504306 MLXGMTLDDYKMGT-RYUDHWBXSA-N 380.492 -0.958 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)C1=O 366745039 QUSIMGFLNVOYKA-JSGCOSHPSA-N 388.424 -0.035 30 20 GBED CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCO1 410586258 CNAFJJWWGVNMSF-SJORKVTESA-N 399.451 -0.804 30 20 GBED N#Cc1cc(F)c(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)c(F)c1 424373049 XHMDGPNSQUIYHQ-SNVBAGLBSA-N 380.350 -0.291 30 20 GBED N#Cc1ccc(S(=O)(=O)N(CC(N)=O)CC(N)=O)cc1Br 433014362 SAUSNLBIVKZMHB-UHFFFAOYSA-N 375.204 -0.718 30 20 GBED COCCNC(=O)C1(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 458342570 FQFFCJLTMIPKSW-GFCCVEGCSA-N 394.453 -0.364 30 20 GBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccccc1CN1CCSCC1 509003357 BQJQIEMRNRHQEU-UHFFFAOYSA-N 375.454 -0.070 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2COCCO2)cc1 516061510 FVXSSNQDUIIUOV-AWEZNQCLSA-N 397.453 -0.037 30 20 GBED N#Cc1cccc(F)c1CC(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 520857107 IDAUBJZVDXJZIT-UHFFFAOYSA-N 378.389 -0.109 30 20 GBED COC(=O)Cn1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n1 565981106 UPBHXALWEALRRX-UHFFFAOYSA-N 377.382 -0.155 30 20 GBED N#CCc1ccc(CS(=O)(=O)N2Cc3nnc(O)n3C[C@@H]2C(=O)O)cc1 566241307 XRSMTGPYWQSIDU-GFCCVEGCSA-N 377.382 -0.151 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)OC)cc1 572662843 XJMTWNLQLFMJCV-JTQLQIEISA-N 375.428 -0.282 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@]1(O)CCOC1 582857458 QOYRMSOSBPXBEJ-SMDDNHRTSA-N 389.455 -0.693 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CC[C@@H](C(N)=O)C1 583452278 ZWOZCSHDGZRNAV-MNOVXSKESA-N 386.455 -0.579 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncc(C#N)s1 594637925 XMDJPHFBUNMOPI-JTQLQIEISA-N 391.500 0.568 30 20 GBED Cc1c(C#N)cccc1NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 610904307 PGENGUDBUWPSHC-UHFFFAOYSA-N 393.469 -0.501 30 20 GBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCN1CCN(C)CC1 631781871 WGMAMKXKKCSTLK-OAHLLOKOSA-N 379.548 -0.371 30 20 GBED CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N[C@@H](CO)CC#CC)c[nH]1 645882157 GGNNTQKYILFXKR-UONOGXRCSA-N 381.454 -0.429 30 20 GBED C=CCN(C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1)[C@@H](C)COC 658372874 XFNORLUPUGOFCV-LBPRGKRZSA-N 376.413 -0.110 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)N2CCN(C)CC2)c1 675524508 OQVUUISBYTXIDD-UHFFFAOYSA-N 394.497 -0.003 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCCN(c3cnn(C)c3)C2=O)C1=O 744919363 VEXPYQXHFAPTTJ-GFCCVEGCSA-N 389.368 -0.565 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)CCS(C)(=O)=O)C1 758644379 LVVBHHLQRDVGGR-WDEREUQCSA-N 381.476 -0.291 30 20 GBED COc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc(OC)c1 771893129 XGIXRICQZOWCJX-UHFFFAOYSA-N 382.398 -0.586 30 20 GBED CCOC(=O)CON=C(C(=O)N1CC(n2cc([C@@H](C)O)nn2)C1)c1cc[nH]n1 772539196 WYZIQFARBZHYBD-SNVBAGLBSA-N 391.388 -0.578 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)CN1CCCC1 816626072 UNFZQHDHGBRVJD-ZDUSSCGKSA-N 380.470 -0.312 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)CC1(C)C 848959806 RTYIZTGZZXKSIL-UHFFFAOYSA-N 390.531 -0.479 30 20 GBED COC(=O)N1CCC[C@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 858176585 CCNADOBEZVSTLR-NSHDSACASA-N 376.373 -0.382 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cnc(O)n(C)c2=O)[C@H](C)C1 959680771 SBFBPJLEICZBSH-OXHZDVMGSA-N 376.413 -0.346 30 20 GBED Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H]2CC[C@@H](C(N)=O)C2)n1 1043794119 GDXARUAXVDMDJL-BFJAYTPKSA-N 384.440 -0.026 30 20 GBED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)C1 1049188344 IRISWFFUPSIISO-KSWRQPAISA-N 375.469 -0.018 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCc2cnn(C)n2)C1 1070195866 COZYUXKBQFSZAR-NCOADZHNSA-N 386.460 -0.071 30 20 GBED C=C[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 1116644123 XXNVFWRCSLAUEM-ZNMIVQPWSA-N 390.506 -0.131 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CCO1 1117490029 FTWBZHHNUSQUJA-ZBFHGGJFSA-N 386.408 -0.467 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCc1cccc(NS(C)(=O)=O)c1)[C@H]1CCCO1 1117528310 HQDKXMMPGJDZFB-HUUCEWRRSA-N 379.438 -0.029 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCc2cccnc2)C[C@H]1O 1193075989 MFARDHMMBZSQGH-TVFCKZIOSA-N 388.468 -0.160 30 20 GBED C#CCn1cc(CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cn1 1322359834 XTAMXDUUGMGXTP-CYBMUJFWSA-N 377.426 -0.702 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 1336602429 RSBUZAOLEFVLDU-KCYZZUKISA-N 386.518 -0.795 30 20 GBED C#CCN1CCC[C@H]1c1nnc(N(C)CCNS(C)(=O)=O)n1CCOC 1343104705 IPLMYSMUEXGBTE-AWEZNQCLSA-N 384.506 -0.320 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(CC(=O)N[C@@H](C)CC)CC2)nn1 1349044885 FZIKVLYVYNVNDK-AWEZNQCLSA-N 391.476 -0.861 30 20 GBED C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 1353383924 JVBOLTYORPNATO-KRWDZBQOSA-N 377.489 -0.730 30 20 GBED CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1465013056 PCVNSQZKKRDYDJ-ZYHUDNBSSA-N 379.442 -0.117 30 20 GBED COC[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1555227494 RHLSQAPJUYYXFO-FRRDWIJNSA-N 386.478 -0.100 30 20 GBED C#CCN1CCC(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[nH]n3)cn2)CC1 1573283865 WZRMCFJBRIWBNE-OAHLLOKOSA-N 384.444 -0.504 30 20 GBED C#CCNC(=O)CNCC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588353950 BTKIERSQKOHUMV-CYBMUJFWSA-N 384.444 -0.081 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC(O)(CN=c2cc[nH]cc2-c2nn[nH]n2)CC1 1588357251 JRMLXHMJCUVHER-CYBMUJFWSA-N 385.428 -0.513 30 20 GBED C#Cc1ccccc1CC(=O)NC[C@H](CO)N=c1cc[nH]c(-c2nn[nH]n2)n1 1588376490 GVRJTOACZHNQBZ-CQSZACIVSA-N 378.396 -0.808 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)cn3)C[C@H]2O)c1 1588379627 KDXPDIKAORMIDP-HUUCEWRRSA-N 376.380 -0.383 30 20 GBED C=CCNC(=O)NC(=O)CN[C@@H](C)CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588658343 HBOJZFCZGQFFLS-JTQLQIEISA-N 389.420 -0.695 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588665107 FKNMERVAWCPWON-WDEREUQCSA-N 377.405 -0.665 30 20 GBED C=CCOCC(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588672156 SPYNTTQHNBTLIJ-UHFFFAOYSA-N 375.389 -0.909 30 20 GBED C=CCn1cc(C(=O)N(C)[C@@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C2)nn1 1588710828 DUGIERVYPXVOIJ-LLVKDONJSA-N 381.404 -0.215 30 20 GBED N#Cc1ccc(C(=O)NCC#CCNC(=O)c2ccc(-c3nn[nH]n3)nc2)cn1 1592690956 UKRBWRFDISCPIY-UHFFFAOYSA-N 387.363 -0.308 30 20 GBED Cc1ccc(-c2nn[nH]n2)c(N2C[C@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)n1 1605770268 SJAHPHKGACANLD-KGLIPLIRSA-N 379.384 -0.251 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(N2CCOCC2)C1 1639577135 NLLSLWMVXFHSGX-ZDUSSCGKSA-N 378.454 -0.232 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779093686 ADOQAEKDRBNYHD-KVSKMBFKSA-N 381.473 -0.321 30 20 GBED CNc1nsnc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783555639 KEDRCWOUUJYZGO-OAHLLOKOSA-N 379.398 -0.889 30 20 GBED C[C@H](Cn1cccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791073919 BVYFGIQYLDDESJ-UGUYLWEFSA-N 388.424 -0.413 30 20 GBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccnc1 1793959607 ULMDAUKTPOCZHN-HGKCTWBKSA-N 384.436 -0.186 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)n(C)n1 1794322283 CRSZIAIWFIXVGJ-NFFDBFGFSA-N 378.429 -0.080 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1797583057 LOQTXKDGDCIJKJ-GFQSEFKGSA-N 382.417 -0.810 30 20 GBED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)N1C[C@H]2C[C@H]2C1 1800777501 VCNPEMMJZKXWGR-KOFCLRGJSA-N 375.425 -0.996 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1nc[nH]n1 1801297440 SBUFIMJSPBDYTQ-GUIRCDHDSA-N 393.469 -0.475 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC)NC(C)=O)CCO2 1829864411 GGMFDNXFOKIXCP-APWZRJJASA-N 379.457 -0.229 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1830059598 GOPMZUGPJRUABE-KRWDZBQOSA-N 377.401 -0.265 30 20 GBED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1831454255 KWECTRKFDLONOH-XJKSGUPXSA-N 387.458 -0.963 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1836477087 WBOTUZKMZARTKW-GJYPPUQNSA-N 377.441 -0.991 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=S)NCC)CCO2 1839656320 LWAXMGPSELERGJ-SFHVURJKSA-N 396.513 -0.660 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1839807557 GYQDNUCQFQPKDV-IBGZPJMESA-N 387.392 -0.444 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1840042227 HIDDBQWMQLRYTD-GOSISDBHSA-N 391.355 -0.621 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1840157859 CEQZGKQTAPHNFH-CXAGYDPISA-N 381.454 -0.292 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1840159671 JXOVBHYOYTWDCM-PIGZYNQJSA-N 397.453 -0.119 30 20 GBED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196649 ZLNKKWIGUNCRSJ-CYBMUJFWSA-N 381.385 -0.879 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CSCC(=O)O 1847261428 CKLNBIGCHVCJKT-LDIIPZEWSA-N 381.454 -0.136 30 20 GBED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 31805274 HMFHQSSGTQAJBZ-UHFFFAOYSA-N 390.377 -0.207 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(=O)N[C@H](C)C2)cc1 296320733 UQKGVXGINVHHQH-GFCCVEGCSA-N 394.453 -0.222 30 20 GBED CN1CCN(C(=O)CC/N=C(/O)N2CCC(C(=O)N3CCOCC3)CC2)CC1 329130659 XDPXXCLEFLSBQM-UHFFFAOYSA-N 395.504 -0.365 30 20 GBED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C)C[C@@H]1C 349481095 ZDXOISIFAXGSGL-QWHCGFSZSA-N 394.519 -0.664 30 20 GBED CCN1CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)CC1 349531888 NKWCJMGSGFGJHB-CQSZACIVSA-N 380.536 -0.092 30 20 GBED CC(C)(O)CNS(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 349569005 AUDZPUDZDQEMIJ-LLVKDONJSA-N 385.533 -0.662 30 20 GBED Cn1cnc2c1c(=O)n(CC(=O)N1CC(Oc3ccc(C#N)cc3)C1)c(=O)n2C 373399856 UCBOWSIBCMXRCK-UHFFFAOYSA-N 394.391 -0.405 30 20 GBED CN1C(=O)CC[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1=O 425092691 QWWAHTWKQBYYKW-ZDUSSCGKSA-N 378.410 -0.244 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)CCO1 426716782 YFMBVMYIZQAHOO-CYBMUJFWSA-N 390.371 -0.012 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1coc(S(N)(=O)=O)c1 490401857 TXQHKNLODQSKBA-JTQLQIEISA-N 376.398 -0.060 30 20 GBED CCNC(=O)N1CC[C@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 527817276 FIMFDZIMGBDBQS-NSHDSACASA-N 375.389 -0.809 30 20 GBED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccsc2)c(=O)n1CC(N)=O 547962239 HDCTXMPILGGAOH-LLVKDONJSA-N 389.458 -0.435 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@H]1NCCCC1(C)C 572017424 AOZPZTGZJPILTL-CQSZACIVSA-N 375.477 0.149 30 20 GBED N#Cc1cc(F)ccc1CS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 574575951 AZTIVODXLFGRTN-GFCCVEGCSA-N 376.387 -0.289 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccccc2)CC1 728533487 KRGKLOFIRZWOPC-UHFFFAOYSA-N 392.481 -0.799 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 728572904 PPSBLMSSQAFYEC-UHFFFAOYSA-N 385.424 -0.149 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 728589841 LAHDKLFJKSKTDC-UHFFFAOYSA-N 384.389 -0.210 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 745589883 RHUBJENZDJWRQZ-JTQLQIEISA-N 397.409 -0.497 30 20 GBED Cn1c(C=NNS(=O)(=O)c2ccc(F)cc2)nc2c1c(O)nc(=O)n2C 764721452 KESPPJSHFBXCNA-UHFFFAOYSA-N 380.361 -0.176 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)N1CCNC1=O 767638498 TUSLUSCXNBVVFK-GHMZBOCLSA-N 394.409 -0.291 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCN(C)C3=O)CC2)o1 772522764 VHXDSELKIOVFOY-GFCCVEGCSA-N 375.385 -0.475 30 20 GBED COCCN(CCNS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 800098628 AZEBJNVXIUQIGR-CYBMUJFWSA-N 392.478 -0.071 30 20 GBED CCOC(=O)Cn1cnc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)n1 824456208 XQSQMVKIAIFUEY-OUKQBFOZSA-N 377.361 -0.511 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C2(CO)CC2)cc1 848940910 ATNUMXKISYBRKU-UHFFFAOYSA-N 397.478 -0.021 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 962961143 SJJDLBVXQLOWMV-WCVJEAGWSA-N 375.425 -0.483 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn3cc(C)cnc23)C1 963182149 QSJAJPVZBAELBF-OJLVUWQFSA-N 385.424 -0.070 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@@H]1O 964504474 VYSCKLBGKBJLLS-AHXJXLJNSA-N 393.440 -0.805 30 20 GBED C#CCOc1ncccc1C(=O)N1C[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]21 974668370 OYIDXDSASODCJI-DMRZNYOFSA-N 382.420 -0.112 30 20 GBED N#Cc1cn(CC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c(=O)nc1O 1141454604 JTYPNGLNDUBZKA-UHFFFAOYSA-N 385.355 -0.056 30 20 GBED COCCN(CCC#N)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1255498548 PHVJEHVGGVUSRS-UHFFFAOYSA-N 392.416 -0.931 30 20 GBED CS(=O)(=O)C[C@@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)c1ccccc1 1322623292 TUQLVNUQNSWTMH-MRXNPFEDSA-N 392.481 -0.007 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N(C)CCN(C)C1CC1 1325888890 WOTDQIQWMYMDNK-AWEZNQCLSA-N 385.472 -0.062 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc(OC)c(OC)c2)CC1 1330914707 GDQDAZHJQRZODR-UHFFFAOYSA-N 381.454 -0.142 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)CN2CCCC2=O)cc1 1332190972 BPEQORFYDKKDIR-CQSZACIVSA-N 394.453 -0.408 30 20 GBED COC(=O)[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 1334347288 HAIGCIMHHIDLLQ-AVGNSLFASA-N 386.412 -0.547 30 20 GBED CCN(CCC#N)C(=O)CN1CC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1577909390 OUOIRZOLZBXHFX-UHFFFAOYSA-N 385.432 -0.381 30 20 GBED C#CCOCCC(=O)NC[C@@H]1CN(c2ccc(-c3nn[nH]n3)c(C)n2)CCO1 1588361261 IORIOXCZVYWHRX-CQSZACIVSA-N 385.428 -0.069 30 20 GBED C#CC[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C(=O)O 1588407993 UHZRBSDEFYPXNO-LBPRGKRZSA-N 386.451 -0.096 30 20 GBED C=CCN(CCOC)CC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 1588631958 FZLFAAKWTXMCOI-UHFFFAOYSA-N 390.448 -0.054 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(c2snc(C)c2-c2nn[nH]n2)CCO1 1602725877 NOEZFOHMCPQLAR-VXGBXAGGSA-N 391.457 -0.009 30 20 GBED CC[C@H](CNS(C)(=O)=O)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1604037852 OEZJCMSALXYPHD-UONOGXRCSA-N 391.457 -0.007 30 20 GBED N#Cc1cc(C(=O)NC[C@]2(O)CCN(c3ccncc3-c3nn[nH]n3)C2)c[nH]1 1606359812 FDYIIMQEKHEEBI-QGZVFWFLSA-N 379.384 -0.167 30 20 GBED Cc1nn(C)c(N2CCN(Cn3cccc(C#N)c3=O)CC2)c1-c1nn[nH]n1 1609458425 DFGXJRJEQCCNTJ-UHFFFAOYSA-N 380.416 -0.278 30 20 GBED CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1778955494 VRCYUZKZZUIHJX-FZKQIMNGSA-N 377.445 -0.172 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1783566233 RYTVUUYKQVODKV-JXFKEZNVSA-N 386.404 -0.492 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)C3=COCC3)C2)C1 1784760950 WFNXSHBHPPHIKQ-LLHWWHOWSA-N 375.425 -0.021 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC)NC(N)=O)[C@H]2C1 1787405387 NBAIEBSODCOEQE-GVRJEKJASA-N 394.472 -0.549 30 20 GBED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=N)N)cc1 1795538679 AUSVVDSRUDBBSR-SCAQPMJSSA-N 384.440 -0.561 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(C)=O 1797963569 HOLQRCQDYBVQML-JYYAWHABSA-N 399.513 -0.354 30 20 GBED O=C(O)c1cnncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1798097110 XIKCFUUOHFJBHF-FVCICTRLSA-N 384.392 -0.209 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CC(=O)NC1=O)C2 1798393494 UBIABBGJHVKWAX-XJFOESAGSA-N 392.456 -0.251 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1 1831394290 ZYAHFBZHBGYMPW-GPMSIDNRSA-N 380.441 -0.340 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1831424486 KLKLSLDCXOTOPR-BXWFABGCSA-N 379.457 -0.438 30 20 GBED COC(=O)CCC(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1834436165 KJTGCTHQIZMPMI-UHFFFAOYSA-N 393.440 -0.401 30 20 GBED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)o1 1836028393 FHEHULIFLHCICU-MEDUHNTESA-N 384.458 -0.305 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839120679 QDRMUZCZBCRRTC-AHRSYUTCSA-N 393.484 -0.377 30 20 GBED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1nccn1)CCO2 1839239506 XWVRKECLGVZOHA-IBGZPJMESA-N 389.456 -0.072 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1840173390 UZMFEJXPWPLUQZ-FXAWDEMLSA-N 388.468 -0.016 30 20 GBED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1840291783 FYTPNDJCLDZJGV-KXBFYZLASA-N 393.440 -0.255 30 20 GBED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)OC)CCO2 1840322678 QRFOZDDFEQWWJZ-IBGZPJMESA-N 395.456 -0.008 30 20 GBED CS(=O)(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840548978 MYGLTOLQUZVXPW-KRWDZBQOSA-N 399.469 -0.819 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840842037 JINIZWYORATUIR-KRWDZBQOSA-N 391.384 -0.199 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)/C=C\C(=O)NC1CC1)C2 1841054757 LHZALYYJDYIZHV-QOCNPQIPSA-N 386.452 -0.117 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(CC(=O)Nc2cc(C)on2)CC1 24810131 IEXOCOZCRZVAKI-CYBMUJFWSA-N 378.433 -0.061 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@H]2C(=O)NCC2CC2)C1=O 264193602 SBYASMWRAHNLOT-NSHDSACASA-N 380.426 -0.609 30 20 GBED CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CC(=O)NC1=O 268789254 FHZUKFWPJMFDAT-ZWNOBZJWSA-N 378.410 -0.511 30 20 GBED COCCNC(=O)c1cccc(S(=O)(=O)NCCn2cnc(C#N)n2)c1 285742622 WAMMQFDBDYIOBV-UHFFFAOYSA-N 378.414 -0.496 30 20 GBED C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 349464386 NMEHGPSVCUSTAO-UPJWGTAASA-N 397.544 -0.568 30 20 GBED C[C@@H](C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1)n1cnc(C#N)n1 409665379 JHUCUHWSVPVBDJ-KGLIPLIRSA-N 375.433 -0.898 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCCNc2nccc(C(F)(F)F)n2)CCO1 410123523 PRSYPGWEVLMGDF-VIFPVBQESA-N 380.352 -0.034 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)c3ccc(S(N)(=O)=O)nc3)CC2)c1C#N 471710961 FEFFQWKVRPIFEI-UHFFFAOYSA-N 389.441 -0.395 30 20 GBED CN1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 498849768 LBPFDYCYYUZJDW-JKSUJKDBSA-N 397.435 -0.488 30 20 GBED Cn1c(=O)c2ccn(CC(=O)Nc3nc4n(c3C#N)CCS4)c2n(C)c1=O 524793136 CQDLSSXEAOVTDM-UHFFFAOYSA-N 385.409 -0.149 30 20 GBED CN1C(=O)C[C@@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)[C@H]1c1ccnn1C 530270941 BBXZLHGAISUHEH-DOMZBBRYSA-N 397.395 -0.843 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCCS(N)(=O)=O)n2)c(F)c1 541144538 AKAHQMMXJUBVJV-UHFFFAOYSA-N 394.388 -0.384 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)C2=O)cc1 546851721 ZZEKFCGTRVVATK-LSDHHAIUSA-N 396.407 -0.001 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(C)nc(N3CCCC3)n2)C1=O 553663126 CDRUAJHAYXHGHA-UHFFFAOYSA-N 386.412 -0.022 30 20 GBED C[C@H]1CN(C(=O)Cn2cc(NC(=O)NCC(=O)NCC#N)cn2)C[C@@H](C)O1 554259796 FZMBVGIXSYARPC-TXEJJXNPSA-N 377.405 -0.720 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C(C)(C)C(N)=O)c1 568254460 XCDMOKCJINENQH-JTQLQIEISA-N 388.471 -0.239 30 20 GBED COC[C@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 569941965 VJEZDUDUZPBICG-LLVKDONJSA-N 377.444 -0.884 30 20 GBED C=CCCSCCNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 595724608 OUPCBHDDPDBPTG-UHFFFAOYSA-N 382.490 -0.033 30 20 GBED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC(=O)N(C)C 604269748 ACKPKMTUTACRPQ-UHFFFAOYSA-N 399.476 -0.579 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC(=O)N(C)C 604270223 UILCRCCKVAFMQX-UHFFFAOYSA-N 399.476 -0.578 30 20 GBED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN([C@@H]2CCOC2)CC1 669058836 DOKPMYMZSRADNZ-ZIAGYGMSSA-N 384.506 -0.015 30 20 GBED CN(C)S(=O)(=O)c1ccc(NCCO)c(C(=O)OCC(=O)NCC#N)c1 731235507 HNGOMNXRVNBDQA-UHFFFAOYSA-N 384.414 -0.862 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 761032157 GBUUBBWQUXWKCE-INIZCTEOSA-N 378.454 -0.617 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCS(=O)(=O)N1CCOCC1 781377011 XFJROAOTDYIFBB-UHFFFAOYSA-N 399.477 -0.900 30 20 GBED C#CCn1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)cn1 788219522 XZKIGOFIBSQRRF-GFCCVEGCSA-N 378.458 -0.150 30 20 GBED CN(C)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)n(C)c1 813981680 UNIANHGJRQKAGS-UHFFFAOYSA-N 397.438 -0.339 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)OC)CC2)nc1 815560020 WHOLNOATTCBPTA-UHFFFAOYSA-N 389.412 -0.326 30 20 GBED C/N=C(/NCCNS(=O)(=O)c1cccs1)NCCN1CCOCC1 849107835 YGQCDRKVCCHLLB-UHFFFAOYSA-N 375.520 -0.476 30 20 GBED C[C@H](CC(=O)NCCN1CC[C@@H](O)C1)/N=C1/NS(=O)(=O)c2ccccc21 863322528 WTZWSBZSHYLMDU-CHWSQXEVSA-N 380.470 -0.314 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nn(CC)nc2C)C[C@@H]1O 964503703 OHLKFLHBIUGDGI-FQLMCAECSA-N 377.445 -0.111 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc3c(c2)ncn3C)C[C@@H]1O 970711373 DJTNYOSZSSQRLT-OJLVUWQFSA-N 385.424 -0.139 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cnc(C(N)=O)n1 997031046 XJOCELHUUYAQNK-DGTMBMJNSA-N 388.428 -0.784 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1O 1025710609 XZMDQWJOVXHGIW-NGFQHRJXSA-N 376.413 -0.442 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cc(=O)n3nccc3[nH]2)C[C@@H]1O 1083853161 FRSLJNWCKMNDMG-KRXQYRFLSA-N 387.440 -0.335 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 1085338176 RBOCFTGDQNYEME-FPCVCCKLSA-N 378.473 -0.447 30 20 GBED CCN(CCN)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1118899689 BIDQVNGAKCJJGD-UHFFFAOYSA-N 393.469 -0.802 30 20 GBED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)nc1 1321335340 VEJOSFBRCBYJLU-LBPRGKRZSA-N 386.455 -0.733 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@@H](C)N(C)C1CC1 1322499510 JHOYLJLBYPHSAC-KGLIPLIRSA-N 385.472 -0.016 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1 1323138653 OXHSVGHQJYCWDZ-OAHLLOKOSA-N 393.440 -0.987 30 20 GBED COc1ccccc1C(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1327096079 SDTQZXKSXYJDFP-AWEZNQCLSA-N 386.408 -0.269 30 20 GBED C=CCN(C(=O)C(=O)N1CCN([C@H](C)C(=O)NCCCOC)CC1)C1CC1 1327214647 GMMRLKLFAUWNSY-OAHLLOKOSA-N 380.489 -0.151 30 20 GBED N#CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 1327630999 OCUMYQCMJZBKAB-INIZCTEOSA-N 391.472 -0.858 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)CC1 1330996433 LDPDQXZRLWCOTG-BETUJISGSA-N 399.382 -0.923 30 20 GBED Cn1cc(CN2CCN(C(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)cn1 1331947911 XLNUOFYNFKTMMR-KRWDZBQOSA-N 385.472 -0.737 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCN2C(=O)OC[C@@H]2C1 1333041627 MWNMCDCUYPYZBQ-RYUDHWBXSA-N 394.475 -0.936 30 20 GBED CS(=O)(=O)C[C@H]1CCN(CC#CCN2CC[C@H](CS(C)(=O)=O)C2)C1 1347538226 LQWQRKBZICHRKO-HOTGVXAUSA-N 376.544 -0.277 30 20 GBED C=C[C@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC 1347877653 LZAGCIMVPUQAGL-OCCSQVGLSA-N 384.454 -0.109 30 20 GBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1519549787 CWNBKLRXHUSFQF-ZDUSSCGKSA-N 396.455 -0.112 30 20 GBED C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N)COC2)C1 1574944157 XBRUQAUWIGBNRM-ZIAGYGMSSA-N 397.501 -0.311 30 20 GBED N#Cc1cc(C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nn[nH]n4)cn3)C2)c[nH]1 1581865798 OVSRMINZKSSOAZ-KRWDZBQOSA-N 379.384 -0.167 30 20 GBED N#Cc1cn(CCC(=O)NCC2(N3CCCC3)CCOCC2)c(=O)nc1O 1585519618 RXNRBEPTQHFSHV-UHFFFAOYSA-N 375.429 -0.028 30 20 GBED C#CC1(O)CCN(C(=O)CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 1588333456 REQVPKFJUUOLGN-UHFFFAOYSA-N 390.425 -0.868 30 20 GBED C#CCNC(=O)[C@H](C)N(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588353362 PNGXCQMAWLCPSA-JSGCOSHPSA-N 384.444 -0.131 30 20 GBED C#CCNC(=O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588353960 CFTPTSOIZBJTDB-KGLIPLIRSA-N 382.428 -0.377 30 20 GBED C#CCSCCNC(=O)C(=O)N1CC(Oc2ccc(-c3nn[nH]n3)cc2)C1 1588364084 RQDUPAPEJYSRPC-UHFFFAOYSA-N 386.437 -0.061 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NCC[C@@H](C)N=c1cc[nH]c(-c2nn[nH]n2)n1 1588404200 FKILODJWDVPLKY-YPMHNXCESA-N 387.448 -0.144 30 20 GBED CO[C@]1(C(=O)O)CCN(C(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)C1 1599069972 ZJYPVTXVDPWHEA-KBXCAEBGSA-N 375.381 -0.248 30 20 GBED C#CCC1(C(=O)N2CC(O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CCC1 1602700481 WVTYGBMGFCTUNI-UHFFFAOYSA-N 383.412 -0.309 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)CNc1nc(C)ccc1-c1nn[nH]n1 1602721348 FRBPPDRTFCQEAP-ZFWWWQNUSA-N 384.444 -0.443 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCSC[C@H]1c1nn[nH]n1 1616948176 XMAZZWDEQWNCSW-JTQLQIEISA-N 393.454 -0.445 30 20 GBED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2)C(F)(F)F 1783206201 CRAVYPPZUKGWPI-SLEUVZQESA-N 377.363 -0.342 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1784479456 BVQPMMJGVXSJFG-QPSCCSFWSA-N 386.470 -0.951 30 20 GBED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2 1793386905 TXHYOLTYSLFNGJ-RMHZUWNSSA-N 394.497 -0.213 30 20 GBED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CC(=O)NC1=O)C2 1793561785 IZPMDURYNSMRSV-FQUUOJAGSA-N 376.413 -0.785 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)CC)C2 1793818325 FNFRGYVKVFZFEE-YWVIFJGQSA-N 390.527 -0.070 30 20 GBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1795083124 BYFUEOXAHZVSLS-DRXBFXEBSA-N 389.368 -0.740 30 20 GBED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)N1C[C@@H]2C[C@H]2C1 1797637822 QWWLJMUKSCDDHZ-BJXUOIJQSA-N 375.425 -0.996 30 20 GBED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1801164316 DEMHCDCTPOMTTJ-LOUJCGABSA-N 390.440 -0.632 30 20 GBED N#CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CNC1=O)CC2 1814488086 NRSUYUCLYBLVSK-SECBINFHSA-N 390.425 -0.089 30 20 GBED C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817816391 IVHPTAHHIOVCJZ-NSHDSACASA-N 381.356 -0.525 30 20 GBED CS(=O)(=O)CC(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831670163 PDXPFELRLURPLJ-CQSZACIVSA-N 384.454 -0.261 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1833270173 CSOMVJQBTGUQGF-FQEVSTJZSA-N 385.420 -0.197 30 20 GBED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ncon3)CC2)CC1 1836046726 ISXYQNYNJJNAOI-UHFFFAOYSA-N 375.385 -0.657 30 20 GBED COCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837526192 BVUIAPAPWHXJEM-LOTLTSSJSA-N 399.444 -0.382 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccnnc4O)CCO3)C2)CC1 1838369539 QHMCWQCCIAJWHX-GOSISDBHSA-N 387.396 -0.444 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838642724 IPBCQHKEGJFPHX-BZNIZROVSA-N 382.442 -0.842 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1 1839192366 WWMLENQKQCKHON-YJBOKZPZSA-N 386.445 -0.957 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)OC)CCO2 1840204284 MURCOURZQQJELY-YLRDJVGTSA-N 395.456 -0.664 30 20 GBED CC/N=C(/NC[C@@H]1CN(C)CCN1C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 261714117 HOYGQJLKTWWXOC-DNVCBOLYSA-N 393.536 -0.492 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)o1 288373413 ZDPBMZYUDFCDJM-UHFFFAOYSA-N 386.411 -0.024 30 20 GBED CNC(=O)CCN(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 289206751 YABDOHJUXKTMOG-OAHLLOKOSA-N 385.424 -0.236 30 20 GBED COCCN1CN(/C(O)=N/C2CCN(S(=O)(=O)C(C)C)CC2)CC1=O 328750940 RKQNVSRSMONALV-UHFFFAOYSA-N 376.479 -0.149 30 20 GBED Cn1cc(N2CCC[C@H](N/C(O)=N/C[C@H]3CCN(S(C)(=O)=O)C3)C2=O)cn1 328767031 AZNKJYDCMSYNJF-OCCSQVGLSA-N 398.489 -0.299 30 20 GBED C[C@H](/C(O)=N/C[C@H]1CCCN1S(C)(=O)=O)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 328789302 KQCFTOZCKIVKJZ-FAYOZSNISA-N 399.469 -0.082 30 20 GBED O=S(=O)(C1CC1)N1CCC[C@@H](/N=C(/O)N[C@H]2COC[C@H]2n2ccnn2)C1 329220003 AHINNICKTCUBSK-KWCYVHTRSA-N 384.462 -0.322 30 20 GBED CN1[C@H]2CC[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)CC2 349474268 JPAYXFUQNNWYLP-KBPBESRZSA-N 378.520 -0.340 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H](C)CO)ncc1C#N 349570956 SBFYXBUQCIICEI-NSHDSACASA-N 376.460 -0.306 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCNC(=O)[C@H]1C 349592090 PEMWBKPVJZJQDO-NWDGAFQWSA-N 380.492 -0.910 30 20 GBED C=CCN1C(=O)C(=O)N(Cc2nc(CC(=O)N3C[C@@H](C)O[C@H](C)C3)no2)C1=O 350774277 DFWNSGMNXANQCF-GHMZBOCLSA-N 391.384 -0.275 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@H](c3ccccc3)[C@@H](C(N)=O)C2)C1=O 414589089 QFUVILBYRIPGNR-IKGGRYGDSA-N 398.463 -0.041 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCN3CCNCC3)C2=O)cc1 418904449 JERCBDHDHDOOOQ-QGZVFWFLSA-N 398.467 -0.809 30 20 GBED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H](N)CCCC#N)CC2)C[C@@H](C)O1 424094507 LUHNBEGXLQSAOA-QLFBSQMISA-N 387.506 -0.494 30 20 GBED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N[C@H](CO)CN2CCOCC2)c1 425288601 BSUTXFKNCCUHQR-ROUUACIJSA-N 386.452 -0.141 30 20 GBED N#Cc1cccc(-n2ccc(C(=O)NCC(=O)NCCN3CCOCC3)n2)c1 467270355 YXOYECLPTJZDOF-UHFFFAOYSA-N 382.424 -0.078 30 20 GBED N#C[C@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 471226679 MTJNLEFWQVYMLD-HNNXBMFYSA-N 396.444 -0.117 30 20 GBED Cn1cc(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1C#N 483258810 CNOFKIDAWZSYMA-OAHLLOKOSA-N 379.486 -0.682 30 20 GBED N#Cc1ccc(O[C@@H]2CCN(C(=O)NC[C@H]3CS(=O)(=O)CCO3)C2)nc1 489945603 NZNGETDPKMLOMS-KGLIPLIRSA-N 380.426 -0.070 30 20 GBED COC(=O)CN(CC#N)C(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O 500606979 VIMDMBNFQMIWIO-SWLSCSKDSA-N 383.426 -0.452 30 20 GBED N#Cc1ncn(CCNS(=O)(=O)c2cc3c(c(C(=O)O)c2)OCCO3)n1 505835945 ZITCCEXXNFDTCY-UHFFFAOYSA-N 379.354 -0.402 30 20 GBED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3CN4CCN3CC4)C2=O)cc1 532638269 NFRPSWNNYMMQNU-DLBZAZTESA-N 396.451 -0.121 30 20 GBED CN(CCC#N)S(=O)(=O)N[C@@H](Cc1cn(-c2ccccc2)nn1)C(=O)O 548219462 NCOAUZBMOXDYRX-AWEZNQCLSA-N 378.414 -0.057 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)O)CC2=O)C1 565055585 RIPRTVSFQZBHRC-STQMWFEESA-N 388.446 -0.899 30 20 GBED COC(=O)CN(CC(=O)OC)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 567738778 YJHYBIBWTRGIFN-UHFFFAOYSA-N 383.382 -0.989 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCn4ccnc4C3)CC2)c1C#N 589145789 VOSYBDWTOAJJHG-AWEZNQCLSA-N 396.455 -0.424 30 20 GBED CS(=O)(=O)NCCOC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 729794514 UINIZDJUAJCFOL-UHFFFAOYSA-N 375.428 -0.415 30 20 GBED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCCN/C(O)=C1/N=CC=CC1=O 731851342 SCNMOBYIJYGSNQ-IVPXEPLCSA-N 386.430 -0.625 30 20 GBED CN(C(=O)COC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)C(C)(C)C#N 736737111 MJKQFPKTELKFOU-UHFFFAOYSA-N 385.384 -0.100 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 741233509 ONTANPSZIYWGPY-INIZCTEOSA-N 379.486 -0.213 30 20 GBED CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)nn1 756887476 SSEJCFMVDAXOCU-NEPJUHHUSA-N 391.432 -0.145 30 20 GBED CC1CC(C#N)(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)C1 758174905 CKAJDTYHLGRNLQ-JVWICGRDSA-N 389.499 -0.413 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2nc(O)[nH]c2c1 771898513 ODNJFQPPVPYTKN-UHFFFAOYSA-N 392.397 -0.632 30 20 GBED C#CCNC(=O)CN1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 784147536 KNYGKPWMQGYLOL-OAHLLOKOSA-N 376.413 -0.299 30 20 GBED CN(CC(=O)N1CCN(c2ccc(C#N)nc2)CC1)[C@H]1CCS(=O)(=O)C1 801288305 SREOPPMANAOMAT-INIZCTEOSA-N 377.470 -0.279 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)C[C@@]2(OC(C)C)CCOC2)CC1 851760205 HIHLOJAMIQWXJX-QGZVFWFLSA-N 387.502 -0.733 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c1 913087475 XZXRFVZFGWJBSA-UHFFFAOYSA-N 399.494 -0.248 30 20 GBED COc1ccc(NC(=O)[C@H](C#N)C(=O)Cn2ccc(=O)n(C)c2=O)cc1OC 916935080 LENXPLSDIZWWRS-GFCCVEGCSA-N 386.364 -0.088 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CNC(=O)c2cn(CC(N)=O)nn2)C1 994138289 BKLQZRVXLIMHAB-BHPKHCPMSA-N 390.444 -0.821 30 20 GBED C#CCN1CCN([C@@H]2CCCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)C(=O)C1 1071268976 GUNAJVQTEKNKQW-MJQMVNBJSA-N 375.469 -0.194 30 20 GBED Cn1cc(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)nn1 1118276860 LPQSSZVJWCZTQO-UHFFFAOYSA-N 384.400 -0.483 30 20 GBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 1198799191 ICXCXXGFZLSHPZ-CTHBEMJXSA-N 378.379 -0.131 30 20 GBED CNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1299252892 YYFQRZXOYJPJFK-NEPJUHHUSA-N 382.446 -0.955 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@](C)(O)CN(C)C 1321139241 KWVMYXJSTQTWOM-GOSISDBHSA-N 385.428 -0.185 30 20 GBED N#CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 1329590085 WVFAYTUABMDWGA-AWEZNQCLSA-N 388.428 -0.167 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC(N(CC)S(C)(=O)=O)CC1)[C@@H]1CCCO1 1329626984 SDPBGXFGVWUACV-GJZGRUSLSA-N 385.486 -0.444 30 20 GBED COC(=O)NC1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1342867792 JJTRUHYUJZBLQM-OAHLLOKOSA-N 399.407 -0.658 30 20 GBED C#CCNC(=O)CC(=O)NC1(CNC(=O)c2ccc(-c3cnn[nH]3)cc2)CC1 1575005280 ZHNHAZRPLAUWMX-UHFFFAOYSA-N 380.408 -0.010 30 20 GBED Cc1c(-c2nn[nH]n2)c(=O)n(CC(=O)NCc2cccc(C#N)c2)c(=O)n1C 1580521113 HBFCRABXVNYMEZ-UHFFFAOYSA-N 380.368 -0.776 30 20 GBED C#CCNC(=O)[C@H](C)N1CCC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1588353461 SZHITAJDZIXGQG-JSGCOSHPSA-N 384.444 -0.083 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Nc2sccc2-c2nn[nH]n2)CC1 1588353821 HVORPAIQGWSIDT-UHFFFAOYSA-N 396.458 -0.455 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)O)ccn2)CC1 1588484230 WCLRNIPNHLBTRQ-UHFFFAOYSA-N 380.426 -0.774 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2ccc(CC(=O)O)cc2[N+](=O)[O-])CC1 1588486433 ZAIQDPOTNMLHOH-UHFFFAOYSA-N 382.398 -0.189 30 20 GBED C=CCC[C@H](NC(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O)C(=O)OCC 1588579277 LPIYTGJWHQQIGE-NSHDSACASA-N 391.388 -0.467 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCc1ccc(OC)c(-c2nn[nH]n2)c1)[C@H]1CCCO1 1602689952 XFPKUEUCQMXSDJ-UKRRQHHQSA-N 384.396 -0.212 30 20 GBED C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccnc1-c1nn[nH]n1 1609020743 GEFXPYBTRDVGRD-SNVBAGLBSA-N 382.427 -0.927 30 20 GBED O=C1CC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)N1 1779016925 VHOIHRRGZPBTAX-OAPRFOFOSA-N 391.472 -0.433 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3ccnn3)C[C@@H]21 1784483203 OQCNUQKKDIUZPT-WOYTXXSLSA-N 389.456 -0.143 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@H]4COC[C@H]43)[C@H]2C1 1791837206 LRTNHOHFIJAZOY-KTSXYBPLSA-N 376.453 -0.103 30 20 GBED O=C(/C=N/O[C@@H]1CCCCO1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](O)C1 1797149850 AQKKNCOVXWUUKN-FJQMBHIWSA-N 395.456 -0.124 30 20 GBED C[C@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1799290935 ZAEPQAVOKZUROQ-CUSZFKRNSA-N 391.468 -0.591 30 20 GBED CC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1800510062 PPEHIIMMXRPYEE-XEMDLRDOSA-N 384.436 -0.174 30 20 GBED N#CCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1806280791 OOBSPGBWYMPKLW-SUMWQHHRSA-N 384.396 -0.447 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]nc3C)CCO2)C1 1838676912 FPKKMGZILBYWOA-BEFAXECRSA-N 390.440 -0.174 30 20 GBED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)n1ccnn1 1839704934 MDSNYTIKZCBWGX-KSSFIOAISA-N 390.444 -0.155 30 20 GBED C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840022615 BWGRVSNPQCWNGN-KBXCAEBGSA-N 382.461 -0.895 30 20 GBED N=C1NCCN1CC(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844258813 XOMQODGQKCXHIA-SRZZPIQSSA-N 375.477 -0.499 30 20 GBED COC(=O)c1cn(CCNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)nn1 284296533 TXPZNCVCMBMKGH-LBPRGKRZSA-N 399.415 -0.353 30 20 GBED CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)ccc1F 287874496 GDNAFFCUUMELDR-NSHDSACASA-N 384.389 -0.235 30 20 GBED N#Cc1ccc(NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1F 290811011 NXSREIJZGSFRJI-UHFFFAOYSA-N 383.405 -0.931 30 20 GBED CS(=O)(=O)N1CCN(CC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 293723892 MVGGVODLTVVDRW-HNNXBMFYSA-N 393.469 -0.490 30 20 GBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N(C)CC/N=C(/O)N(C)C 330672874 XUSBOHAAEUTLAE-LLVKDONJSA-N 388.494 -0.362 30 20 GBED C[C@@]1(O)CCCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)CC1 349475802 NQDDCCFQISVAFQ-CYBMUJFWSA-N 379.504 -0.081 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CC[C@H]1O 349541264 VWSRYPKGWMWIPE-IJLUTSLNSA-N 383.517 -0.910 30 20 GBED CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCCN(C)CC1 349542253 XHKFPEQFCGSCFJ-AWEZNQCLSA-N 380.536 -0.092 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)CCO1 409563970 UTLDPVYBJNSJHT-HNNXBMFYSA-N 396.444 -0.018 30 20 GBED CCOC1CC(CNS(=O)(=O)N2CCO[C@H](C#N)C2)(N2CCOCC2)C1 410428376 WLIXVFUXVWHWJF-HWOWSKLDSA-N 388.490 -0.685 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CCN([C@H]4CCNC4)CC3)CC2)c1 423056927 YGXOAKHTDWRPOQ-KRWDZBQOSA-N 397.483 -0.892 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCC(=O)N(C)C1=O 425096996 XVJVGZQZGYXNOZ-GWCFXTLKSA-N 378.410 -0.511 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 430401280 BPNYQFSYUUZGEB-SJLPKXTDSA-N 392.500 -0.150 30 20 GBED N#CCC1(O)CN(S(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)C1 451413026 GTULKTOBIACEQO-UHFFFAOYSA-N 393.421 -0.411 30 20 GBED CCOC(=O)[C@](C)(O)CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 478575637 LWWZUZJUEXQLPK-MRXNPFEDSA-N 383.426 -0.159 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)c1=O 513455189 KVAOIPXAMJDGNF-SOUVJXGZSA-N 380.445 -0.986 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 539354999 YSVQLRODOCGINP-GBOPCIDUSA-N 386.412 -0.583 30 20 GBED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1 550592455 XACQZWXBBZLDRQ-CQSZACIVSA-N 383.452 -0.014 30 20 GBED N#Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)cc1Br 562409547 FWMCNLCPSAYLQU-VIFPVBQESA-N 376.188 -0.072 30 20 GBED N#Cc1ccc(N2CC(N3CC[C@@H](O)C3)C2)nc1N1CC(N2CC[C@@H](O)C2)C1 593502435 BWKPUADIAIWYJZ-QZTJIDSGSA-N 384.484 -0.536 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(C)c(S(C)(=O)=O)c2)CC1 728531205 CLTUDHOPJIVHNG-UHFFFAOYSA-N 377.466 -0.094 30 20 GBED CN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 731448750 YUOAXPPXYDFLOP-NSHDSACASA-N 385.467 -0.239 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1 748538850 YEPQTWYNLCLMTM-FQEVSTJZSA-N 397.435 -0.752 30 20 GBED COC(=O)[C@@H]1COCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 752680684 UHTRQLKFFOFDKC-LBPRGKRZSA-N 381.410 -0.484 30 20 GBED COC[C@](C)(NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 757014401 ZPHPEBHHSNRCLB-INIZCTEOSA-N 383.426 -0.191 30 20 GBED Cn1ccnc1[C@@](O)(CCNS(=O)(=O)N1CCO[C@@H](C#N)C1)C(F)(F)F 800056299 LHOLZQKWKUMMSH-JQWIXIFHSA-N 397.379 -0.381 30 20 GBED C=C(CNC(=O)/C=C1\SCC(=O)N1C)CNC(=O)/C=C1/SCC(=O)N1C 824735815 IWOSUXSNRKWWLM-PEKKIUAKSA-N 396.494 -0.132 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C=O)cc2)CC1 831574278 CINJOSPFUZRRSN-CQSZACIVSA-N 379.438 -0.122 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[C@H]2O)cc1 848941481 QNVDBPUCEKQVQF-HUUCEWRRSA-N 383.451 -0.364 30 20 GBED CON(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 862161027 HSACRGVEAQCTCJ-NSHDSACASA-N 385.384 -0.090 30 20 GBED N#CCSCC(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 915388038 KASVJYMNRXFBSW-STQMWFEESA-N 390.483 -0.019 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2nn(CC)nc2C)C1 968504046 NCXZLTTWBVOIFU-FQLMCAECSA-N 377.445 -0.111 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 974718401 IMRBKTVKTHVZFY-FPCVCCKLSA-N 376.457 -0.931 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c(C)nnn2CC)C[C@H]1O 1023942763 OJPOKAKURWAEBI-NHIYQJMISA-N 377.445 -0.111 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(=O)n2C)C1 1025559050 NKRNAVOZBPMUKZ-SHFYGJNESA-N 375.425 -0.332 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)s2)C[C@H]1O 1025709434 ODSKOGOCUXDILX-KKOKHZNYSA-N 379.438 -0.260 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)N1CCCC1 1109273112 XHKOXLJZXZLWQK-FZKCQIBNSA-N 375.473 -0.349 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCCN1c1ncccn1 1109422057 WNIWJTHZDQMJIR-QZWWFDLISA-N 382.468 -0.084 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)Cc2ccccc21 1111064412 ABVJNQCXUJVFSY-INMHGKMJSA-N 381.436 -0.063 30 20 GBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1nc(C)n(C)c1=O 1111338656 UXCXRYFGHKGLKI-MYPMTAMASA-N 376.461 -0.698 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCCN4CCC[C@@H]4C3)CC2)c1C#N 1117911051 DBYZNIBVCWRZPB-MRXNPFEDSA-N 399.499 -0.055 30 20 GBED NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC#Cc2ccccc2)C1 1130008141 ZHUKNOSTGSSRDI-XDNAFOTISA-N 378.436 -0.207 30 20 GBED C=C(C)CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[C@H]2C(N)=O)n1 1130234880 NILTZTGUZAYSCK-CRWXNKLISA-N 376.461 -0.029 30 20 GBED CCNS(=O)(=O)CCNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1 1322577545 BRLRKSMFXXTDRU-UHFFFAOYSA-N 393.469 -0.479 30 20 GBED C=CCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@@H](C)COC 1327763549 AGEZYPWZEQBWEJ-JKSUJKDBSA-N 380.489 -0.199 30 20 GBED C#CCOCCC(=O)NC[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)CCCO1 1573289603 OIHZTPLRGPRCHJ-CYBMUJFWSA-N 386.416 -0.592 30 20 GBED C=CCn1cc(C(=O)N[C@@]2(C)CCN([C@H](C)C(=O)NCc3cnn[nH]3)C2)nn1 1575112700 WRJZPXMQHVODJR-PXAZEXFGSA-N 387.448 -0.519 30 20 GBED C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N(CC#N)Cc2cnn[nH]2)cc1 1575722342 YBGYMCQLGGIQIP-NSHDSACASA-N 378.414 -0.370 30 20 GBED N#Cc1cnc(N2CCOC[C@@H]2CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cn1 1581877995 RJZFXJNTKWICCY-LBPRGKRZSA-N 380.372 -0.508 30 20 GBED C#CCN1CCC[C@H]1C(=O)NCCN(c1cncc(-c2nn[nH]n2)n1)C1CC1 1588351323 OMEPLPYQDHMUNY-HNNXBMFYSA-N 381.444 -0.161 30 20 GBED C#CCNC(=O)[C@@H](C)N[C@H]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1588353333 OIRSLAAAQVGUGI-MRVWCRGKSA-N 384.444 -0.037 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCCO1 1588356288 BGAOPFSXKVIKFH-QWHCGFSZSA-N 386.416 -0.594 30 20 GBED C#CCOCCC(=O)N1CCO[C@@H]([C@H](C)N=c2cc[nH]cc2-c2nn[nH]n2)C1 1588359452 OOMFTTFHAVDIAW-XJKSGUPXSA-N 385.428 -0.249 30 20 GBED C=CCOCC(=O)N[C@H](C)[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1588672137 SEYNZZTWZOFABK-RISCZKNCSA-N 389.416 -0.257 30 20 GBED C=CCOCC(=O)N[C@H]1CCN(c2ncc(-c3nn[nH]n3)cc2F)C[C@@H]1O 1588674046 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-0.253 30 20 GBED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 1790748743 APZFBUBIXUMBMD-IKOXMDCHSA-N 390.527 -0.138 30 20 GBED Nc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cs1 1791076071 LIHITKGBDWIDAY-NHCYSSNCSA-N 378.410 -0.593 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)NCC)C2 1793358151 SWKUEDJBUYCUDQ-GVRJEKJASA-N 396.488 -0.125 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1ccnn1)C2 1793362573 YYOYLZBRRCSEGB-PNBKFKSVSA-N 377.445 -0.151 30 20 GBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 1795848617 QLXMUBNYPBSNOC-MCYUEQNJSA-N 381.454 -0.083 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccc3[nH]1)C2 1800778427 WABHPEVIYZWJBC-DPIQGUFMSA-N 382.376 -0.146 30 20 GBED CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812651523 CAZIRUHDMTVNST-CDHAZOANSA-N 386.408 -0.300 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccn3)C2)C1 1831391123 HKMFXDDITZZXKA-HNAYVOBHSA-N 388.424 -0.415 30 20 GBED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831576758 QCWYQHDAXWMVKC-QWQRMKEZSA-N 381.429 -0.237 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnsn4)CCO3)C2)CC1 1833526175 GMLCWKKHTHUZGI-INIZCTEOSA-N 377.426 -0.088 30 20 GBED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834756220 UZVRETVKQVKLKE-CJNGLKHVSA-N 387.458 -0.963 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cc(C)cnc13)CCO2 1836950196 QCHQYXCIWZCXBS-IBGZPJMESA-N 383.408 -0.259 30 20 GBED C[C@@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839162788 AYLWTKOIULFDLG-ACJLOTCBSA-N 389.412 -0.909 30 20 GBED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839875197 RYRQSXBUARIMDX-OXQOHEQNSA-N 391.468 -0.228 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1840164526 MZTRBQDOJLYJPC-ABAIWWIYSA-N 392.499 -0.421 30 20 GBED CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816390 PXOOKIQFHAAHQO-GOSISDBHSA-N 378.429 -0.727 30 20 GBED C/N=C(/NCCNC(=O)c1ccco1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 261855400 YRDGBZNTMSWDTR-SFHVURJKSA-N 390.444 -0.105 30 20 GBED N#C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 265292081 HTQQQROREFRGFM-NSHDSACASA-N 383.386 -0.193 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCO[C@H](C#N)C2)cc1 266802664 DHAKXMUALFONIO-CYBMUJFWSA-N 381.410 -0.107 30 20 GBED COC(=O)C[C@@H]1C(=O)NCCN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 280448285 YQMZIRXWFFIPHD-CQSZACIVSA-N 389.412 -0.039 30 20 GBED COCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 286555233 LKBZVRNISSUDBS-INIZCTEOSA-N 386.456 -0.561 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)C1=O 299538444 OPTNLXBNSUDHEI-SNVBAGLBSA-N 394.409 -0.512 30 20 GBED CC(=O)N1CC(C(=O)N2CCSC[C@@H]2C/N=C(/O)C2CN(C(C)=O)C2)C1 329058816 YOLTXIUKEVFXLN-HNNXBMFYSA-N 382.486 -0.157 30 20 GBED CNS(=O)(=O)C1CCN(/C(O)=N/[C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 329814998 UWFBNJZQFICVDC-ZDUSSCGKSA-N 398.489 -0.239 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCNC(=O)C1 349471431 OANPFVZXOYKITM-UHFFFAOYSA-N 386.455 -0.659 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCn2cncc2C1 349509908 ZRYGVWBYNXDDTA-UHFFFAOYSA-N 375.476 -0.406 30 20 GBED N#C[C@H]1CN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CCN1Cc1ccccc1 365248178 CTQUOBDDCQJZGE-HNNXBMFYSA-N 388.453 -0.233 30 20 GBED C=CCNC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 373769233 HNKRNFHFQWGGPX-OCCSQVGLSA-N 385.417 -0.632 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@@H]1CC(N)=O 457070855 WCMYKRUDOFAGFA-YPMHNXCESA-N 380.426 -0.672 30 20 GBED CC1=NNC(=O)[C@H]1CCNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 524409777 NOLRRWDKVWBIFI-AWEZNQCLSA-N 377.426 -0.193 30 20 GBED C[C@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)CN1CCCC1 560014964 JUXRYBDQVVCZAV-CYBMUJFWSA-N 375.477 0.103 30 20 GBED C=CCCCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 570822906 KKFLBEUMPVUMKX-CQSZACIVSA-N 375.491 -0.032 30 20 GBED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C)C(=O)C2)cc1 572248985 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CCOC(=O)CON=C(C(=O)NC1(CO)COC(C)(C)OC1)c1cc[nH]n1 834496042 RIXXIOUHWDIGDS-UHFFFAOYSA-N 384.389 -0.676 30 20 GBED C[C@H](CCC(=O)N[C@@H]1CCCN(O)C1=O)CC(=O)N[C@H]1CCCN(O)C1=O 848138007 IAYUFVIGJAQSQM-UPJWGTAASA-N 384.433 -0.214 30 20 GBED C#CCN(CC)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(=O)n(C)c1 848959733 OOWLHVOQYJUPSZ-UHFFFAOYSA-N 375.472 -0.198 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 850725512 RGVBCPROJQEFNH-UHFFFAOYSA-N 377.445 -0.348 30 20 GBED CCOC(=O)CON=C(C(=O)NCc1nc(C(N)=O)cs1)c1cc[nH]n1 855874082 JMFBEKKYVAKKMF-UHFFFAOYSA-N 380.386 -0.435 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)C[C@H]2CCC(F)(F)C2)CC1 872514889 CIIDDPBUUJRCMP-LBPRGKRZSA-N 385.458 -0.163 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1n1ccnn1 990879689 DFROVVRAOASVFR-CRWXNKLISA-N 386.416 -0.441 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnnc(O)c2)C1 1024188621 ZRUJPZLXAYXLOX-NHIYQJMISA-N 376.413 -0.145 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)Nc2c(C)n[nH]c2C)C[C@@H]1O 1083790154 RIOQDGPFAIAWJF-KBXIAJHMSA-N 377.445 -0.283 30 20 GBED C=CCNC(=O)NC(=O)CNCC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C 1104687049 UUAZYIPXXQDBME-SYQHCUMBSA-N 379.461 -0.806 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1109541715 IZMSNWNKXGPMDK-MRLBHPIUSA-N 377.445 -0.839 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)Cc1ccccc1 1110069311 ZXRKMUURXKQZNQ-SQNIBIBYSA-N 382.464 -0.184 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCO[C@H](C)C1 1110465443 CQROUTHSUOZDNZ-FPCVCCKLSA-N 376.457 -0.905 30 20 GBED CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 1117511176 OWECPKMBZKBIGY-SJLPKXTDSA-N 386.452 -0.187 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CC[C@H](NC(N)=O)C3)CC2)cc1 1117881074 VZOWHRFJDXIWRN-INIZCTEOSA-N 384.440 -0.528 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2C[C@@H](O)[C@H](CO)C2)CC1 1261312178 LQYIETMSUWLANZ-BLLLJJGKSA-N 376.388 -0.842 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)CC1 1261863335 XPBQLNQNMWHHTP-MRXNPFEDSA-N 375.473 -0.191 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCC3(CC2)C[C@H](O)CCO3)CCN1C1CC1 1262524108 BOYXQUSAURDPDO-JKSUJKDBSA-N 376.457 -0.282 30 20 GBED CN(C)C(=O)CCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1321632174 ZBHGNWYMXUNGAM-OAHLLOKOSA-N 385.424 -0.236 30 20 GBED C#CCOCCNC(=O)C(=O)NCc1ccccc1N1CCN(C(C)=O)CC1 1322013013 CPEOQNSZFIAMMH-UHFFFAOYSA-N 386.452 -0.263 30 20 GBED Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N[C@@H]1CCCN(O)C1=O 1324388568 PXBYOKZLMAIVBU-CYBMUJFWSA-N 379.417 -0.244 30 20 GBED Cn1nc(C(=O)N2CCN(CCOC(=O)CSCC#N)CC2)ccc1=O 1343428749 HYYORCLXZVWPDL-UHFFFAOYSA-N 379.442 -0.662 30 20 GBED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N(C)C 1359467429 RXGJHIFSMGBHSJ-VXGBXAGGSA-N 385.494 -0.038 30 20 GBED CS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1555805914 VNNXDNQPGHPGLN-LBPRGKRZSA-N 382.446 -0.713 30 20 GBED C=C(Br)CN1CC(O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573291807 JDBULXOKMCXVMH-UHFFFAOYSA-N 382.222 -0.120 30 20 GBED C#CCNC(=O)[C@@H](C)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575005053 SVWAAFJGBVJHJW-AIANPOQGSA-N 387.488 -0.609 30 20 GBED C=CCOCC(=O)N1CC2(C1)CN(C(=O)[C@H](C)OCc1cnn[nH]1)CCO2 1575108542 NCFRKIHQXPFZOC-ZDUSSCGKSA-N 379.417 -0.648 30 20 GBED O=C(C#CC1CC1)N1CCC[C@H](N(CCO)c2ccnc(-c3nn[nH]n3)n2)C1 1592766100 CHJYBCCLDDKSKX-AWEZNQCLSA-N 382.428 -0.140 30 20 GBED C=C(C)[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O)OCC 1602753790 UKEHDKJWLHCTQK-MCIONIFRSA-N 388.432 -0.306 30 20 GBED CC(=O)N1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)S)C3)C2)CC1 1783895024 VQSYPWFBMKRZJB-KDOFPFPSSA-N 398.529 -0.701 30 20 GBED Cc1noc(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791074370 VKNFGIAGKNFKBJ-IHRRRGAJSA-N 375.381 -0.027 30 20 GBED C#CCO[C@H](C)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 1793344713 SCMDRBYOVBAHFZ-RHSUQVCWSA-N 389.496 -0.046 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncnn1C)C2 1799391006 CLCGXJNSIYMWMN-FQUUOJAGSA-N 378.433 -0.181 30 20 GBED NC(=O)c1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800779464 GSNVADLDTHQFJS-DPIQGUFMSA-N 385.376 -0.923 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1831402169 PUACCJTZULUSJC-CLCXKQKWSA-N 395.456 -0.994 30 20 GBED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1831454253 KWECTRKFDLONOH-CJNGLKHVSA-N 387.458 -0.963 30 20 GBED N#CCCC(=O)N1CCC(N2CCC(NC(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1834733410 MVPYKZPXOSWNSX-MRXNPFEDSA-N 392.504 -0.545 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)F)C2)C1 1835673204 YIUZVOOKFTUMDO-QGZVFWFLSA-N 388.415 -0.010 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836968073 NOSYPTLPVMOFPB-GOSISDBHSA-N 389.412 -0.351 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)C=C)CCO2 1837704629 YNPABARUUIVVPE-KXBFYZLASA-N 377.441 -0.453 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(N)=O)C3)C2)c1 1838740260 IYVKGROGIQXLQS-GOSISDBHSA-N 389.412 -0.778 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)COC)C2)C1 1839174499 GNNDBMZQBKRFKG-SFHVURJKSA-N 384.429 -0.401 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3F)C2)C1 1840043343 SLSRBTXKVAXLIW-LJQANCHMSA-N 390.367 -0.016 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)C1 1840171349 CDKVSPBMMZDSTP-YOEHRIQHSA-N 388.486 -0.300 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H](C)Cn1cncn1)C2 1841055107 WAAUXSUELPJQRX-IYKSTZQJSA-N 386.456 -0.024 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)NC(=O)OCC)C1 1844158409 QLGCRJNQWREDGK-STQMWFEESA-N 383.445 -0.173 30 20 GBED O=C1NC(=O)[C@@H](CC(=O)N2CC3(CCCN3C(=O)C/N=C/c3ccco3)C2)N1 1844313559 ISIHEUTWEMNNCM-KMDAILJESA-N 387.396 -0.500 30 20 GBED COCCNC(=O)/C(C#N)=c1/s/c(=C\c2ccc(C#N)o2)c(=O)n1C1CC1 266458684 FXRMVGLROHSIMO-VKDHKHAMSA-N 384.417 -0.025 30 20 GBED COC[C@H](C)NC(=O)NC(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C 268248519 BKWSBMAGRDTTRA-QWHCGFSZSA-N 375.433 -0.281 30 20 GBED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCn2cnc(C#N)n2)[C@H](C)O)cc1 287064185 XMCFEEYVRZBPIK-SWLSCSKDSA-N 392.441 -0.698 30 20 GBED CCN1CCN(CC(=O)N2CCN([C@@H](C)/C(O)=N/C3CC3)CC2)C(=O)C1=O 328837712 NKCOJIDEYINPEX-ZDUSSCGKSA-N 379.461 -0.671 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CCN(c2ccccn2)CC1 349532598 BDTJGPJDZAHACM-UHFFFAOYSA-N 387.487 -0.634 30 20 GBED CC(C)N=c1[nH]c(=NCCO)[nH]c(=NC2CCN(c3ccc(C#N)cn3)CC2)[nH]1 376231429 RQISSIFBFBSJNC-UHFFFAOYSA-N 397.487 -0.291 30 20 GBED N#CCNC(=O)CNC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 511908154 VOUZPTYUOWMSNA-UHFFFAOYSA-N 384.440 -0.457 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCS(=O)(=O)CC2)CCN1Cc1ccccc1 512143147 QFIDYJOPYOYVKT-MRXNPFEDSA-N 398.510 -0.328 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 548758498 SPXTWUUBGSRHGQ-ZDUSSCGKSA-N 382.402 -0.419 30 20 GBED COCCN(C)CCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 556270303 BPAXYMQJQBGYSD-UHFFFAOYSA-N 388.472 -0.314 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 568306968 JFTFFRLIJAAYGI-OAGGEKHMSA-N 380.489 -0.213 30 20 GBED C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 578413651 UOXTZMOYBLGHRV-CABCVRRESA-N 379.438 -0.120 30 20 GBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 592913468 ZRHTWTCHYZRVIX-KGLIPLIRSA-N 395.437 -0.125 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)ncc1C#N 594286834 ZKIGMIHMPOFZKQ-UHFFFAOYSA-N 384.396 -0.850 30 20 GBED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N(CCC#N)CCOC)CC2 615254254 GUZKUDAFTDVKIK-UHFFFAOYSA-N 394.453 -0.128 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CC(NS(C)(=O)=O)C1 619762476 FUSJKICEJAHICD-PNESKVBLSA-N 393.473 -0.351 30 20 GBED COc1ccc(CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)cc1C#N 747447008 QYNCWRHKNXZUJY-UHFFFAOYSA-N 392.393 -0.147 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc(OC)nc1 763460255 HQFGWWHLLFJZPT-UHFFFAOYSA-N 395.444 -0.110 30 20 GBED C=CCCS(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 765168991 ZUOQIFAVICSEHT-GFCCVEGCSA-N 386.517 -0.973 30 20 GBED C[S@](=O)CCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 804993193 KJFPOWONVTZGAN-PTFIGZPYSA-N 376.438 -0.335 30 20 GBED Cn1cc(C#N)cc1C(=O)NCCCNC(=O)c1cc(-c2nn[nH]n2)cn1C 822665801 YRHHTEFAKXYDDQ-UHFFFAOYSA-N 381.400 -0.035 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ccn(C)n1)[C@@H]1CCCO1 848963893 GBNDSFQGAGKFTP-STQMWFEESA-N 390.487 -0.348 30 20 GBED C#CCN(CC(=O)NCCCn1c(=O)ccn(C)c1=O)C(=O)OC(C)(C)C 857193833 YQEARMRYIPBHBI-UHFFFAOYSA-N 378.429 -0.076 30 20 GBED C#CCCCc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CCOC 909197138 FSQPBHDMXDRKMH-UHFFFAOYSA-N 388.472 -0.192 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 917106767 FXFKSLLPLCISIC-UHFFFAOYSA-N 397.453 -0.261 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 969978026 FSASLJZALPLXJS-MQYQWHSLSA-N 386.412 -0.593 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2cccnn2)C1 990940900 QHWQWUSZEDIEMJ-OJLVUWQFSA-N 383.412 -0.159 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2ncnn2C)C[C@@H]1n1ccnn1 1069929421 DYYFBRVIXXBXDX-WCVJEAGWSA-N 386.460 -0.071 30 20 GBED C=CCOCCN1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)[C@@H]2CS(=O)(=O)C[C@@H]21 1108478377 RFZXYZADISPGPD-QSAAJNHFSA-N 396.509 -0.078 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCN(C)C1=O 1109622682 VSENAIGHNDVNCG-MQYQWHSLSA-N 377.445 -0.802 30 20 GBED Cn1c(-c2cn(CCCC#N)nn2)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 1123364098 BCVVXBCSKPNIGZ-GFCCVEGCSA-N 393.477 -0.105 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C[C@H]1C 1214964782 ROAXFSNVZICUMA-OXHZDVMGSA-N 377.363 -0.481 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1261710757 HQMJHRKTWTVAPM-HRCADAONSA-N 385.420 -0.053 30 20 GBED O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCN/C(O)=C1/N=CC=CC1=O 1318695029 SDOUTPNZENOMLH-YSUUICPYSA-N 384.392 -0.564 30 20 GBED CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)NCCc2ccc(C#N)cc2)C1 1334166137 ICMBEDCQGJKDIP-OAHLLOKOSA-N 378.454 -0.385 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CCN1C1CC1 1352356166 MNJSRRUUKOGNNE-DLBZAZTESA-N 375.473 -0.445 30 20 GBED C=CCN1CC[C@H](N[C@H](CO)CNC(=O)c2ccc(-c3cnn[nH]3)nc2)C1=O 1575103651 HCSZLROOKKIBHB-ZFWWWQNUSA-N 385.428 -0.666 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)NCc1ccccc1-c1nn[nH]n1 1588351588 ZWVFDMYBKJEWQI-WBVHZDCISA-N 383.456 -0.469 30 20 GBED C=CCn1cc(C(=O)NC[C@H]2C[C@@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)C2)nn1 1588713316 JSXMJYSCLFHUHB-PHIMTYICSA-N 381.404 -0.523 30 20 GBED COc1ccc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cc1-c1nn[nH]n1 1591590839 BHKYBUFQEABGJO-QGZVFWFLSA-N 385.384 -0.631 30 20 GBED C#CCOCCC(=O)N1CCO[C@H](CNc2nc(C)cc(-c3nn[nH]n3)n2)C1 1602727835 UDPUVNUDGPBCHQ-CYBMUJFWSA-N 386.416 -0.356 30 20 GBED C=CCCO[C@H](C)C(=O)NC[C@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCO1 1602841469 YGQRTMYOPPXRLS-OLZOCXBDSA-N 388.432 -0.041 30 20 GBED Cn1ncc(I)c1Cn1c(N)nc(-c2nn[nH]n2)c1C#N 1606276252 JHRCEPQMXCGSCN-UHFFFAOYSA-N 396.156 -0.097 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2nccn2)C1 1780818906 RFPFLEFPXJIXMX-GPMSIDNRSA-N 389.456 -0.170 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782641011 PJEMFKBBVZDWDF-SFHVURJKSA-N 388.380 -0.967 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3ccccn3n1)CCO2 1783561940 QXQJXTAEZNTCIQ-IBGZPJMESA-N 382.376 -0.134 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=N)N)[C@H]3C2)c1 1786807497 ABRINPPRDYRCDV-JYJNAYRXSA-N 384.440 -0.365 30 20 GBED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2C(=O)C=CC2=O)C3)C1 1792436633 ZAGMCASRUZHLIY-CCWDJLKJSA-N 387.436 -0.143 30 20 GBED O=C1NC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)O1 1793419935 QWOVJVULLMDTQD-QXGBSFMGSA-N 390.396 -0.604 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 1794591256 DQBBDKGLKPTPIV-CRWXNKLISA-N 377.445 -0.409 30 20 GBED C[C@@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1795513120 DDOLBGVBWFJZRP-ZTOXMCBWSA-N 382.461 -0.300 30 20 GBED O=C(Cn1ccnn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1795891605 ZHJTVQWHZNKSPZ-SPKLFNCASA-N 389.460 -0.661 30 20 GBED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1nc[nH]n1 1796029966 XSMQJVYMQZCKOW-AWDQSODCSA-N 375.433 -0.520 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccn3cn1)C2 1800778121 BJNBTTBDEXUCJH-IVWMJMPLSA-N 382.376 -0.375 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)C(O)O)[C@H]1c1cccnc1 1802917618 WRJCLFWKOXABTN-HUUCEWRRSA-N 389.456 -0.320 30 20 GBED CC(=O)NCCC(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825671690 MQDIQCBHMYFWLD-JTQLQIEISA-N 378.410 -0.331 30 20 GBED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)n1cncn1 1831225446 UGIGULQEKUTJOL-KXBFYZLASA-N 387.440 -0.291 30 20 GBED C[C@H](NC=O)C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834601663 BJMDWIHDIMLHJU-AWEZNQCLSA-N 375.473 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C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCn1cncn1)CCO2 1840359991 VMPBFULBNCFNHB-GOSISDBHSA-N 375.429 -0.462 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1840842724 XQWFWBKNBJZLDX-HXUWFJFHSA-N 392.500 -0.896 30 20 GBED C=CCn1c(C)nnc1SCC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O 12055943 AMWFXPCZEDRTST-UHFFFAOYSA-N 380.430 -0.174 30 20 GBED CCN(CCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 24672273 HRNDFZXWCAIOCH-UHFFFAOYSA-N 380.470 -0.295 30 20 GBED Cc1oc(NC(=O)CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(C#N)c1C 265477196 RIFQXYFFAKRTOB-GJZGRUSLSA-N 396.469 -0.206 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NC[C@H](C)CN1CCN(C)CC1)c1cc[nH]n1 276563490 JLBSBBYEECFFAD-KTNMXJNISA-N 394.476 -0.307 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCS(=O)(=O)Cc2ccccc2)C1=O 299491811 GEOBIDGYGCKJID-UHFFFAOYSA-N 393.421 -0.306 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCN(C)[C@H](C)[C@H]1C 349600953 DGOWVETZOIUXOP-BFHYXJOUSA-N 380.536 -0.048 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CCO1 377908349 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CNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(CCC#N)CCC#N)cn1 770457165 AIOUKHLPGINLTE-UHFFFAOYSA-N 379.398 -0.198 30 20 GBED CC(C)(C#N)CS(=O)(=O)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 776145564 CXDQBRXLNGTAQB-UHFFFAOYSA-N 385.423 -0.173 30 20 GBED COC[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 778507643 VVFRVGJJWWLMBL-LBPRGKRZSA-N 383.426 -0.191 30 20 GBED C=CCS(=O)(=O)CCNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 783011377 OAQOCMNWCFOEJA-ZDUSSCGKSA-N 397.519 -0.625 30 20 GBED Cc1nc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)cn1C 787682816 VERIZPWTRZNEHH-SNVBAGLBSA-N 383.430 -0.499 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2nnn(Cc3cc(C)no3)c2C)CC1 814110597 WEBIMPYQYMOCIT-UHFFFAOYSA-N 385.428 -0.562 30 20 GBED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(-c3nn[nH]n3)o2)c1=O 819759544 ZOJNIRZEUULAAM-UHFFFAOYSA-N 383.393 -0.882 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@H](C(=O)O)C1 820732969 KBGLUTMIGUROPQ-AWEZNQCLSA-N 377.353 -0.166 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2OCCOC)CC1 831557024 ZPEHBMSYSIVIPI-UHFFFAOYSA-N 381.454 -0.063 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1 872515285 KWTZYOFFWGTCIJ-SOUVJXGZSA-N 375.516 -0.162 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 994641583 GBSCZBKDKZOTQP-FPCVCCKLSA-N 378.473 -0.780 30 20 GBED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 1116720144 IFWUAIXNWVMSPE-CHWSQXEVSA-N 395.437 -0.076 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCCOC2CCOCC2)CC1 1117487136 MLENFFMAHSEVGY-UHFFFAOYSA-N 379.457 -0.324 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N(C)Cc2ccco2)C[C@H]1O 1196276377 OPNMGAYILVGAAI-VQHPVUNQSA-N 377.441 -0.010 30 20 GBED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1286966545 UMDKDRBUJDQVSQ-OLZOCXBDSA-N 375.433 -0.316 30 20 GBED CN(C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1324562081 JURVNEWDOZKMFL-QVDVFPETSA-N 377.445 -0.382 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 1328726854 BFUHHXBOBCBYAN-UHFFFAOYSA-N 379.438 -0.581 30 20 GBED COCCN(C(=O)C(=O)Nc1cc(C)c(C#N)cn1)[C@@H]1CCS(=O)(=O)C1 1332895061 UKXNPEHSZBAKBI-CYBMUJFWSA-N 380.426 -0.138 30 20 GBED COCCO[C@H]1CCCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1342101523 VMYKYUIFMPJILJ-PVEMMZBWSA-N 394.428 -0.717 30 20 GBED C=C(C)Cn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CC(=O)N(C)C[C@H]1C 1343905784 AFXNXYVUVUJXSH-GFCCVEGCSA-N 387.444 -0.415 30 20 GBED COC(=O)[C@@H]1CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@@H]1C 1346278936 XXSOQWSLKDSMFD-DLUIAHABSA-N 378.385 -0.961 30 20 GBED C=C(Cl)CN1CC(N2C[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2=O)C1 1573295552 RETJTYDXBRKOPM-SNVBAGLBSA-N 390.835 -0.038 30 20 GBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C[C@H]1O 1575100292 ODUKYIUWGGKRCG-OWCLPIDISA-N 392.460 -0.950 30 20 GBED CCO[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1CNC(=O)[C@H](C)C#N 1578381811 DKBFVUCDLXMPAY-MPKXVKKWSA-N 386.416 -0.052 30 20 GBED C=CCNC(=O)CN1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588659206 JFSKPHBNLZHBSA-KRWDZBQOSA-N 388.432 -0.946 30 20 GBED N#CCSCC(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)cc1F 1592679680 ZIZKGKUGLZUWAO-GFCCVEGCSA-N 379.421 -0.171 30 20 GBED C#CCN1CCC(C(=O)N2CC(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)CC1 1602717799 BTESLHOUFOAZQW-UHFFFAOYSA-N 382.428 -0.519 30 20 GBED C#CCNC(=O)C1CCN(c2nnc(-c3cc(-c4nn[nH]n4)cn3C)n2C)CC1 1602722167 FECPDHUTPSLGMF-UHFFFAOYSA-N 394.443 -0.034 30 20 GBED CC(C)(CNC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1)NS(C)(=O)=O 1609083468 GDBYOSGQECFUIZ-ZDUSSCGKSA-N 391.457 -0.007 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc[nH]3)C[C@@H]21 1783530321 RYAVLKTYLOLYBL-MYVDIJBLSA-N 387.440 -0.139 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1783565229 QAJSHWZJWVFZEZ-CQSZACIVSA-N 392.286 -0.990 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3ccnn3)C[C@@H]21 1784483199 OQCNUQKKDIUZPT-NRKLIOEPSA-N 389.456 -0.143 30 20 GBED O=C(COCCO)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1789917054 WJNXCOKIODQAPQ-MQUULEJCSA-N 396.488 -0.553 30 20 GBED COCc1oncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791075628 GRXOXLMTDDAJEW-UBHSHLNASA-N 391.380 -0.498 30 20 GBED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1791267566 IPXAIKKKWSDTJZ-JYJNAYRXSA-N 375.473 -0.390 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(C)=O)[nH]n1 1794557443 WRKOEWDFOWPCGH-VWPFQQQWSA-N 388.424 -0.146 30 20 GBED C[C@@H]1CCc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)n[nH]c21 1796975347 JVJYLPAAFARFOG-YXPOGWMNSA-N 386.408 -0.249 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(C)=O)C2 1797709503 KHMCUOKUZBMIGH-IVSAIRAKSA-N 381.473 -0.325 30 20 GBED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(C)=O 1797968996 QWCHZXQEPOMRGE-ZMMAXQRCSA-N 393.484 -0.079 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ncsc2[nH]1 1797983021 PZWUPSXQVHXBHP-KEODLESXSA-N 388.405 -0.084 30 20 GBED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2)N1CCN(C)CC1 1799186782 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DRNPNNZUZFLCAO-DZTSLHCYSA-N 391.432 -0.034 30 20 GBED C=CCN(C(=O)CN(C)S(=O)(=O)c1cccnc1)[C@H]1CCS(=O)(=O)C1 57238789 RQERXZPBHCPYAG-ZDUSSCGKSA-N 387.483 -0.096 30 20 GBED C/N=C(/NCCS(=O)(=O)N1CCSCC1)N1CCO[C@@H](COC)C1 261938116 MKSFBAAURNIWCH-CYBMUJFWSA-N 380.536 -0.712 30 20 GBED C[C@@H]1CN(/C(=N/C2CC2)NCC(=O)N(C)C)CCN1c1nccn2cnnc12 262296598 MMQPTFRBPFAIKI-CYBMUJFWSA-N 385.476 -0.169 30 20 GBED C/N=C(/NCCN1CCOCC1)NCc1cccc(C(=O)NCCN(C)C)c1 264977719 IZFWMQRHTYQVPY-UHFFFAOYSA-N 390.532 -0.025 30 20 GBED CCN1CCN(C(=O)/C(C#N)=c2/s/c(=C\c3ccc(C#N)o3)c(=O)n2C)CC1 266576681 SXIBQFQXIOEBHL-MXNRCVTJSA-N 397.460 -0.421 30 20 GBED Cc1cc(C(=O)NC[C@@H]2CCCN(CC#N)C2)nc2c1c(=O)n(C)c(=O)n2C 267228532 VOMIAHUBLHEEIC-ZDUSSCGKSA-N 384.440 -0.094 30 20 GBED C[C@@H](CN1CCN(C)CC1)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 268873930 DISQYMNPDNAYFS-GJZGRUSLSA-N 393.513 -0.023 30 20 GBED COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CNC(=O)c1ccc(C#N)cc1 275317223 SIPRWJBDQOIVDB-CYBMUJFWSA-N 379.394 -0.913 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)OC)c1cc[nH]n1 278282367 GQMAQQRUBXJROA-WFEOQHMISA-N 382.373 -0.782 30 20 GBED CC(C)Cn1c(N)c(C(=O)CSc2nnc(CC#N)n2C)c(=O)n(C)c1=O 279969310 OQYHMRSQYAZHPO-UHFFFAOYSA-N 391.457 -0.045 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)C1=O 289592540 JOMAICZPLOHLKY-HUUCEWRRSA-N 388.472 -0.250 30 20 GBED CNS(=O)(=O)CC/N=C(/O)N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 331296469 NFZDOOIJAZIFNB-GASCZTMLSA-N 375.539 -0.060 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](c2nccn2C)C1 349466934 RPXJCPDUFDLKKM-ZDUSSCGKSA-N 389.503 -0.286 30 20 GBED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)n1 377901652 NHIJTZJCMKOEST-NSHDSACASA-N 379.380 -0.043 30 20 GBED CCOC(=O)[C@](C)(O)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 460105516 MPFKPLOXWZLOFS-MRXNPFEDSA-N 383.426 -0.078 30 20 GBED C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 549282201 FPECSBDNIYNUTO-KBPBESRZSA-N 392.460 -0.275 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)CCCn1c(=O)c2c(ncn2C)n(C)c1=O 557052446 LSWOBYJDRVTHEW-UHFFFAOYSA-N 399.459 -0.435 30 20 GBED N#CC1(NS(=O)(=O)c2cccc(S(=O)(=O)NC[C@H](O)C(F)F)c2)CC1 567915941 COSJKEZBAFVFII-NSHDSACASA-N 395.409 -0.075 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@]1(O)CN2CCC1CC2 577123196 DYXKORUSBYQZRV-FZKQIMNGSA-N 392.481 -0.202 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCOC[C@@H]3CCOC3)CC2)c1 588108411 LTERVIDCHBGAPX-MRXNPFEDSA-N 387.440 -0.229 30 20 GBED CN(C)S(=O)(=O)N1CC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 599501825 XLUALEVUBSQQAO-UHFFFAOYSA-N 389.415 -0.765 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCn2cncn2)cc1 606123856 MOBWLHCVVBEECQ-UHFFFAOYSA-N 392.441 -0.161 30 20 GBED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)cc1 608911977 YAWGDHNUQPZCEN-UHFFFAOYSA-N 396.472 -0.171 30 20 GBED COC[C@@](C)(NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 757014405 ZPHPEBHHSNRCLB-MRXNPFEDSA-N 383.426 -0.191 30 20 GBED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)C(C)(C)C 807535338 WWZIFUGDNWXNSV-CQSZACIVSA-N 376.461 -0.337 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C3OCCO3)cc2)CC1 831580042 WHRVVSBYESTVTL-UHFFFAOYSA-N 379.438 -0.043 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H](N4CCNCC4)C3)CC2)cc1 868409531 DFLYUYDAVFDBMP-LJQANCHMSA-N 396.495 -0.287 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@@H]1O 964610630 KSRBWYYLTZNUPC-KBXIAJHMSA-N 380.445 -0.929 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c(OC)ccnc2O)C[C@@H]1O 970702685 XJFXEVVCZMRBJS-NDBYEHHHSA-N 377.397 -0.312 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)c3nnc(O)nc3O)C[C@@H]21 975827583 LWXJIVRNKCSXHP-RNJOBUHISA-N 389.412 -0.063 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cnc(C(N)=O)n2)c1 996006022 JNRRHQGREQQDOF-MDZLAQPJSA-N 382.384 -0.861 30 20 GBED C#CCNC(=O)CC(=O)N1CCO[C@H](CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1065065188 MIWLUFGLOCDRLW-JTOWHCCKSA-N 377.441 -0.715 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CCN1Cc1ccccc1 1117603774 AVQOGKUNBYUEBW-IXDOHACOSA-N 399.451 -0.628 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H](N)CCO2)C1 1118266683 LXNKMOUCJOAVEB-SOUVJXGZSA-N 387.502 -0.552 30 20 GBED C=CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 1193892045 CJQXEBLDCZTEGI-PSBWJHGTSA-N 389.452 -0.393 30 20 GBED C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C[C@H]1NCC(=O)NCC#N 1214882549 POTXHNCNNFOURI-KCYZZUKISA-N 388.472 -0.036 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 1318905288 OQZFNKARXNIKJM-UVTIVQHFSA-N 376.413 -0.247 30 20 GBED C=C(C)COCCNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 1323247175 QWZLULAHWUXRIN-UHFFFAOYSA-N 379.504 -0.810 30 20 GBED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C(=O)N2CCC(C)(C#N)CC2)C1=O 1323798710 JKXRBXMSGQVWKD-XIKOKIGWSA-N 375.429 -0.025 30 20 GBED C#CCOCCNC(=O)C(=O)NCCNS(=O)(=O)c1cc(C)sc1C 1325529184 DWPNIVLUJXGHSK-UHFFFAOYSA-N 387.483 -0.475 30 20 GBED C=CCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1330145932 PEIPJYPHOLBLOD-UHFFFAOYSA-N 399.444 -0.023 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(N2CCN(C)CC2)C1 1332564461 ZFRBCWRGBNIJDS-CQSZACIVSA-N 391.497 -0.317 30 20 GBED N#Cc1cccc([C@H]2CN(C(=O)C(=O)N[C@H]3CCS(=O)(=O)C3)CCO2)c1 1337881450 UMIMGKGBPGLQDU-LSDHHAIUSA-N 377.422 -0.239 30 20 GBED C[C@@H](C#N)C(=O)N1CC(N2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 1573562730 WVMNYFRNHNMXGH-NSHDSACASA-N 383.416 -0.677 30 20 GBED C[C@H](C#N)C(=O)N[C@H](CO)CNC(=O)c1ccc(OCCc2cnn[nH]2)cc1 1575177848 MQANBLYXECCLEG-DOMZBBRYSA-N 386.412 -0.207 30 20 GBED CC(C)C#CC(=O)N1CCC2(CC1)CN(C(=O)CC(=O)NCc1cnn[nH]1)C2 1575317949 DINBIHYLUOUQJQ-UHFFFAOYSA-N 386.456 -0.079 30 20 GBED C#CCOCCC(=O)NC1(CNc2cncc(-c3nn[nH]n3)n2)CCOCC1 1588359135 HVVSLWGNFBKCGX-UHFFFAOYSA-N 386.416 -0.226 30 20 GBED C=CCNC(=O)NC(=O)CNC1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1588658275 FIVXIAQAUWOERS-UHFFFAOYSA-N 387.404 -0.941 30 20 GBED N#CCSCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O 1592679617 WFAVTMQMENCJHR-PWSUYJOCSA-N 390.429 -0.857 30 20 GBED COCCN(CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1ccnc(C#N)n1 1605099498 IELLQFUKUWSWBC-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CCn2cncn2)[C@H](OC)C1 1757115434 RPFIDZLLBSUMBP-HWMZRRJGSA-N 377.445 -0.009 30 20 GBED COC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780337836 LOPMZHCDJKWVMC-QGZVFWFLSA-N 375.385 -0.314 30 20 GBED CS(=O)(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784389501 DIURGSZVLDXLRZ-JYJNAYRXSA-N 382.482 -0.186 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnnn3C)C[C@@H]21 1784501187 GVMOEIVIMGLJCS-HOSILWTGSA-N 377.445 -0.001 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1 1784580809 MXRJKBHLVCNXRB-YTFOTSKYSA-N 396.444 -0.125 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncc[nH]3)[C@H]2C1 1785778695 ORCPGDFFNPFSAZ-LSFZBXBFSA-N 387.440 -0.139 30 20 GBED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@H](NC)C(=O)O)[C@H]3C2)C1 1786894520 RLXNKCJLLLICRI-TUUVXOQKSA-N 379.457 -0.005 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(C)=O)[C@H]2C1 1790871516 BPIXNSNODJCCBZ-HJWJTTGWSA-N 379.457 -0.469 30 20 GBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccco1)C2 1795082337 HGLGLGDWGFVVFT-GFYLOJAKSA-N 386.408 -0.045 30 20 GBED CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1797694484 DCLDSESLIGQADH-FQUUOJAGSA-N 377.445 -0.413 30 20 GBED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2 1836476599 DJYKIUSPTXJQHN-FXAWDEMLSA-N 393.484 -0.046 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1839838219 DTAFAOFNRUPIJI-QWQRMKEZSA-N 381.429 -0.237 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839862012 QVLNDNDLTLRDFD-RDJZCZTQSA-N 387.502 -0.337 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1840841854 ZDUIYOCAJVMHBB-ICSRJNTNSA-N 386.452 -0.049 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](CC)NC(C)=O)C1 1841085003 QEQBSYVYSFFPFE-LZNQSLFOSA-N 376.457 -0.037 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@H]2C(=O)N[C@@H](C)CC)C1=O 264229609 WDBRZTNDUKSTAL-QWRGUYRKSA-N 382.442 -0.221 30 20 GBED N#C[C@H]1COCCN1C(=O)C(F)(F)C(F)(F)C(=O)N1CCOC[C@@H]1C#N 267120845 DCAVGVJWGHEFNN-UWVGGRQHSA-N 378.282 -0.241 30 20 GBED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 275702187 YSWZWLKJABWCIM-DFBGVHRSSA-N 395.437 -0.250 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCCCN1C(=O)CCC1=O)c1cc[nH]n1 276620610 QTAPAZMUYNJVPX-HMMYKYKNSA-N 379.373 -0.651 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](CO)[C@@H]1CCOC1 280575686 WKKAFFUSVNZEIZ-NWANDNLSSA-N 381.454 -0.014 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](C(C)C)N2CCOCC2)C1=O 285573389 JYWRYSXNCUKCRX-HZPDHXFCSA-N 380.489 -0.295 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)C1=O 289592535 JOMAICZPLOHLKY-CABCVRRESA-N 388.472 -0.250 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(=O)N[C@@H](C)C2)cc1 296320736 UQKGVXGINVHHQH-LBPRGKRZSA-N 394.453 -0.222 30 20 GBED O=C(CN1CCOCC1)N1CCN(/C(O)=N/C[C@H]2CC(=O)N(C3CC3)C2)CC1 329332698 JTZLBAVLBHTOHV-OAHLLOKOSA-N 393.488 -0.612 30 20 GBED N#C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CCO1 332529827 FHBMPWGFWFRVFK-HNNXBMFYSA-N 396.444 -0.117 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 349469773 BMXCYBSJPYVSLW-XJFOESAGSA-N 377.488 -0.399 30 20 GBED C[C@@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)Nc1nc2n(n1)CCCC2 349569333 BBAYPDINMRNZID-NSHDSACASA-N 390.491 -0.175 30 20 GBED N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@@H]1CCC[C@]13NC(=O)NC3=O)CC2 433631791 HKZRCUVNBFIQHK-DJJJIMSYSA-N 381.392 -0.058 30 20 GBED CNC(=O)N[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 466394952 GIJDYIFQRHPMNV-AAEUAGOBSA-N 379.442 -0.245 30 20 GBED C[C@@H]1CC(=O)C[C@H](C(=O)N2CCO[C@H](C#N)C2)[C@@H]1C(=O)N1CCO[C@@H](C#N)C1 468309350 CDFDDMRHSGWHAD-FMPTWSOUSA-N 388.424 -0.280 30 20 GBED Cc1ccc(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cc1S(=O)(=O)NCC#N 470812648 RZJZPUBPBFHWKY-OLZOCXBDSA-N 380.426 -0.440 30 20 GBED CN1CCC[C@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1=O 498827863 KIJOZWLQRGSJED-IRXDYDNUSA-N 383.452 -0.040 30 20 GBED C[C@H]1OCC[C@@]1(O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 516194485 KALRGYRPINVYTP-BXUZGUMPSA-N 389.455 -0.693 30 20 GBED COCCN(CCO)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 580216080 MLPMFQPHFVLQKP-UHFFFAOYSA-N 391.471 -0.540 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 594822818 PNYOGTJJQFKMBS-GXSJLCMTSA-N 375.384 -0.443 30 20 GBED CC(=O)NCC(=O)N1CCCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 600408984 FVYGFZDQHXXYDI-UHFFFAOYSA-N 385.424 -0.515 30 20 GBED N#Cc1ccc(CNC(=O)CN2C(=O)N[C@H](CC(=O)N3CCOCC3)C2=O)cc1 603614686 NASZWDSXSZXVDR-OAHLLOKOSA-N 399.407 -0.656 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCCN(Cc3ncon3)C2)C1=O 614664426 UWNONBGLMNZPPZ-GFCCVEGCSA-N 390.400 -0.625 30 20 GBED COc1ccccc1C(=O)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 619707351 UUUAYQVODSVFLA-CQSZACIVSA-N 394.453 -0.078 30 20 GBED C[C@H](CC(=O)NC[C@](C)(O)CN(C)C)/N=C1/NS(=O)(=O)c2ccccc21 752483323 ZPQPCHRRRUPALC-PXAZEXFGSA-N 382.486 -0.068 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2cn(C)c3ccccc23)c(=O)n(C)c1=O 755803850 JUZQTSWNAVHZOT-UHFFFAOYSA-N 375.410 -0.112 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COCc2ccccc2OC)CC1 761032417 HKOHTPNLFJSEPM-QGZVFWFLSA-N 397.497 -0.342 30 20 GBED CC1CC(C#N)(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 767424548 LCMDLBRCNRARHZ-XOYHFGRZSA-N 383.470 -0.199 30 20 GBED COc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1[N+](=O)[O-] 770608566 UNASSLBUBNIIOB-UHFFFAOYSA-N 397.369 -0.687 30 20 GBED C=CCS(=O)(=O)CCNC(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 805274567 AHIFZHOXMSTGCG-GOOCMWNKSA-N 386.518 -0.030 30 20 GBED N#Cc1ncn(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)n1 826388450 ZPEOIXQCZIQCDW-CYBMUJFWSA-N 392.383 -0.358 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCC(N2C[C@H](C(=O)O)CC2=O)CC1 846328831 KAVBBYJBNDHFQD-GFCCVEGCSA-N 381.454 -0.607 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCOC[C@@H](C)C1 848958786 CZXDBFQEIXASBZ-AWEZNQCLSA-N 377.488 -0.537 30 20 GBED C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nocc2C)CC1 848962526 BJQOIPZMCMNDRK-UHFFFAOYSA-N 390.487 -0.305 30 20 GBED C#CCCCc1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1CC 908875057 NQCMNWJDTNYELK-UHFFFAOYSA-N 386.460 -0.280 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2NC(=O)NC2=O)cn1 998958005 WBSLCVZJXOSCID-QPSCCSFWSA-N 381.392 -0.477 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 1023644657 ZUJIEYLHICHCDL-CFAJVAMVSA-N 377.445 -0.285 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(CCOC)c2C)C1 1023711771 MOBGRXMFIHOWKZ-DZUCGIPZSA-N 392.456 -0.269 30 20 GBED C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CN(Cc3ccc(OCC#N)cc3)C[C@@H]2O)O1 1083566599 SHKZTOMLLQJTAR-DQEVTTJGSA-N 388.468 -0.031 30 20 GBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CNC(=O)Cn2cncn2)nc1 1092979723 IZBJHAPHPZSTNI-KFWWJZLASA-N 380.412 -0.413 30 20 GBED CC#CCN1CCN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094648421 UGPQDQKPKKMPQN-TXCZRRACSA-N 376.482 -0.143 30 20 GBED CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1111421309 PWZYDTJPUNYXNL-WCVJEAGWSA-N 375.473 -0.005 30 20 GBED N#CC1(c2ccccn2)CCN(C(=O)C(=O)NCCCN2C(=O)CNC2=O)CC1 1117282368 JRNPWNHLONREHN-UHFFFAOYSA-N 398.423 -0.477 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 1118563860 WLBHTZKNARMYLM-ZIAGYGMSSA-N 388.490 -0.966 30 20 GBED C#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 1129003352 AWHWUQOWJDWNTE-ILOCAZANSA-N 382.468 -0.029 30 20 GBED COCC#CCN1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)[C@H](OC)C1 1213555622 XGHRPLPRCHNJKP-BRSBDYLESA-N 376.457 -0.247 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N(C)Cc2cnn(C)c2)C[C@@H]1O 1220383145 ZGQJUOCCLLEVCL-NCOADZHNSA-N 391.472 -0.869 30 20 GBED CN(CCCN1CCCC1)C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1258384053 SAVIMRMMTWHUNI-NXVVXOECSA-N 377.445 -0.427 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCCN2CCC[C@H]2C1 1323420595 NNSCKUUPHMVVBH-ZGTROFRASA-N 375.429 -0.674 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(N2CCCNC2=O)CC1 1323730713 XPPAAXODPJNWHS-UHFFFAOYSA-N 386.474 -0.890 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCC[C@H]1CN1CCCC1 1326596063 IGEDGDIFLULFOJ-HYEKCJMVSA-N 389.456 -0.284 30 20 GBED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)CC1 1327254271 GZRMKFYYKRKNAG-CABCVRRESA-N 375.473 -0.050 30 20 GBED C=CCOCCNC(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1327818888 OZTVVJMXEIUYPY-IRXDYDNUSA-N 394.516 -0.046 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)nn1 1328106058 CLMREJAAJMIEEC-LLVKDONJSA-N 388.350 -0.298 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCNC(=O)c1ccc(C)c(F)c1 1340352007 AGUIFMXPGHAJQU-UHFFFAOYSA-N 399.444 -0.303 30 20 GBED N#Cc1ccc(C(=O)N2CCO[C@H](CNc3cnc(-c4nn[nH]n4)cn3)C2)[nH]1 1571153898 UYGVOCZPXYBVIS-LLVKDONJSA-N 380.372 -0.190 30 20 GBED C#CCCCC(=O)NCCN1CCN([C@H](C)C(=O)NCc2cnn[nH]2)CC1 1574867744 YPGKWRFYKMMCSN-OAHLLOKOSA-N 375.477 -0.653 30 20 GBED C#CCNC(=O)CN1CCC2(C1)CN(C(=O)[C@@H]1CCCN1Cc1cnn[nH]1)C2 1575005076 UGLPYROAVZFJPM-INIZCTEOSA-N 385.472 -0.947 30 20 GBED C=C(C)C(C)(C)C(=O)NC[C@@H]1CN(C(=O)CC(=O)NCc2cnn[nH]2)CCO1 1575040252 ZSIKUAFWKZFIKX-CQSZACIVSA-N 392.460 -0.243 30 20 GBED Cn1c(=O)[nH]c(N2CCN(c3ccccc3C#N)CC2)c(-c2nn[nH]n2)c1=O 1581748123 PKLRPMOWVCJXIJ-UHFFFAOYSA-N 379.384 -0.548 30 20 GBED N#Cc1cn(CCNC(=O)CN2C(=O)CCOc3ccccc32)c(=O)nc1O 1585292654 SHEPKCVBRGMXSR-UHFFFAOYSA-N 383.364 -0.248 30 20 GBED C#Cc1ccc(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)nc1 1588371745 SOJGSDLMRVKAEJ-ZDUSSCGKSA-N 391.395 -0.332 30 20 GBED C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O 1588495482 FZDOVOZNRBWCLN-IGCXYCKISA-N 388.432 -0.449 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777934871 STBSLBROGTTYJN-SFHVURJKSA-N 383.364 -0.739 30 20 GBED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)Cn1cncn1)CCO2 1779137565 VCWPBYYDDXKNJF-POKCZJJJSA-N 386.412 -0.180 30 20 GBED COc1cccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n1 1783557749 QKDKCGRWQFHGPQ-LJQANCHMSA-N 387.392 -0.449 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1784501376 QTDFGICNPHHQBE-YXMSTPNBSA-N 396.488 -0.850 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1785266650 YLOBFLBWXGQCJI-IBGZPJMESA-N 390.367 -0.151 30 20 GBED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1788472625 CYRRNNUYKLQPIM-WFGGJUAMSA-N 382.417 -0.666 30 20 GBED COc1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791074308 OXSVGMBEHLOORG-AVGNSLFASA-N 388.380 -0.834 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1793818903 GYDUQTPELPMAFR-DRXBFXEBSA-N 396.469 -0.953 30 20 GBED C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827400878 FJANFSJXVRQLMH-CQSZACIVSA-N 383.412 -0.321 30 20 GBED N=C(N)SCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831213232 MPKDISOPYGCODQ-SFHVURJKSA-N 394.497 -0.127 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1835378958 JFIRJGYRWJTIEZ-LJQANCHMSA-N 393.440 -0.983 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1839840267 BXRHZJKMAGCCFT-YOEHRIQHSA-N 388.486 -0.300 30 20 GBED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1839887553 IJSWZYYPKGIIBU-INIZCTEOSA-N 399.398 -0.054 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC=CO3)C2)C1 1840042466 WURYNETVTNBZFK-KDOFPFPSSA-N 378.381 -0.777 30 20 GBED Cc1n[nH]c(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042509 YMXPIVHKWJZIGD-GOSISDBHSA-N 390.396 -0.815 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CS(=O)(=O)CC)C2)C1 1840841016 YRMPJLULSJXFAC-QGZVFWFLSA-N 386.470 -0.709 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CNC(=O)c1cc(C)on1)C2 1841600899 YMXIILDJSAYDKJ-CQSZACIVSA-N 388.424 -0.045 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(c3cnn(C)c3)C(=O)C2)CC1 92619029 RTWLFLKZUVDKMT-KRWDZBQOSA-N 387.488 -0.239 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)NCCN2CCCS2(=O)=O)cc1 147840254 DZIPMMIYQXUYJW-UHFFFAOYSA-N 387.483 -0.084 30 20 GBED C#Cc1cccc(NC(=O)CNC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 266258348 JZTZYAMBAIOXNS-KNCCTNLNSA-N 381.388 -0.115 30 20 GBED C=CCS(=O)(=O)CCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 272828655 KKXVTTSRSNGBNV-UHFFFAOYSA-N 396.512 -0.515 30 20 GBED CS(=O)(=O)CCOCCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 290146243 VGOSXBRFNDMYJK-UHFFFAOYSA-N 389.455 -0.986 30 20 GBED CCOC(=O)COCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 295777626 SBAKJLZOLMWZSR-LBPRGKRZSA-N 383.426 -0.079 30 20 GBED C=CC/N=C(/O)CN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 329312992 RMHBDRPWFHCKRJ-JKSUJKDBSA-N 394.472 -0.321 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cc(C#N)ccn2)CC1 349534491 GXTUAQCIDUXQHB-UHFFFAOYSA-N 387.487 -0.338 30 20 GBED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)s1 435421690 KIXPQHFENQLANO-JTQLQIEISA-N 391.496 -0.066 30 20 GBED Cc1cc(NC(=O)C(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)nn1CCC#N 441429318 MWBSBOXPMDUFRX-HNNXBMFYSA-N 390.444 0.043 30 20 GBED Cc1cccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1C#N 444028407 GWTHFJXHYODJJX-HUUCEWRRSA-N 399.494 -0.357 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@](C)(O)CN2CCOCC2)c1 467487671 XVWPBBPCMAFVSX-GOSISDBHSA-N 397.497 -0.036 30 20 GBED CCOCCS(=O)(=O)NCC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 530469182 QELCNAFDHUDSBV-UHFFFAOYSA-N 398.489 -0.795 30 20 GBED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@H](S(N)(=O)=O)C2)CC1 539449866 KFDTZQADWQOBGT-ZIAGYGMSSA-N 397.526 -0.180 30 20 GBED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CC[C@H](CC(N)=O)C2)n1 588745228 NMSOBYHPMSZOBU-LLVKDONJSA-N 384.371 0.545 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)Cn2cc(S(C)(=O)=O)ccc2=O)CC1 592351377 OPUYZMCLKMGQSA-HNNXBMFYSA-N 380.470 -0.056 30 20 GBED COc1c(C#N)ccc(=O)n1CC(=O)NCCCN(C(C)C)S(C)(=O)=O 596281813 CGJBEDLBRFPEFT-UHFFFAOYSA-N 384.458 -0.095 30 20 GBED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1 606062092 ZOFCXOUMSPDESE-CYBMUJFWSA-N 375.385 -0.355 30 20 GBED COc1c(C(=O)NCC#CCNC(=O)c2c(C)nn(C)c2OC)c(C)nn1C 681340677 NGELNIAGMOOHDM-UHFFFAOYSA-N 388.428 -0.049 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1 728532897 NSKANJZHARGIAB-UHFFFAOYSA-N 389.456 -0.865 30 20 GBED C[C@H](C(=O)OCC(=O)N[C@](C)(C#N)C1CC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745442176 KAJSHWMKMRSMMJ-ZAEOJSSBSA-N 389.408 -0.111 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2ccccc2COC)CC1 761024205 LHEPWGQJIGLRHK-UHFFFAOYSA-N 394.497 -0.466 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)NC(=O)NC2CCCCC2)CC1 761039309 VZFDRIJJTPKNBN-AWEZNQCLSA-N 399.517 -0.381 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccon1 765144966 DDHXEYBNMJKSNN-UHFFFAOYSA-N 398.448 -0.291 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(N(C)C)cc1 771891225 TZIREZCJNYQGGN-UHFFFAOYSA-N 379.442 -0.148 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCn1cc(C(=O)OC)nn1 793103940 IWRNVFDYQLSAIF-UHFFFAOYSA-N 389.343 -0.029 30 20 GBED C#CCNC(=O)CCN1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 815013977 STPBAONLQLPXCQ-UHFFFAOYSA-N 391.453 -0.286 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@H]2CC(C(N)=O)=NO2)C1 838551050 DTRAGJPNBKJXJU-HOSYDEDBSA-N 380.405 -0.325 30 20 GBED C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 848942231 BWDAMODEOPVJCI-LLVKDONJSA-N 386.455 -0.660 30 20 GBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1n[nH]cc1Br 848966927 IBXJSXHZSZVODM-UHFFFAOYSA-N 385.265 -0.143 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)CC1 893412233 KTZOQWAODQADDV-OAHLLOKOSA-N 389.547 -0.782 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 974410424 XCEMXZXAHQOPLI-TWHJKIGZSA-N 379.457 -0.023 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c(OC)ccnc2OC)C[C@H]1O 1025710477 QYJVUWODPFVNHP-SYQHCUMBSA-N 391.424 -0.009 30 20 GBED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@@H]2Cc3cncn3C(=O)N2)n1 1055261285 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-0.883 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CC[C@@H](CN2CCCC2)C1 1323421970 UOBNGYXVNYACBW-VUAZUDAXSA-N 389.456 -0.427 30 20 GBED CC(C)CN1C[C@@H]2CN(C(=O)C(=O)N3CC[C@@](O)(CC#N)C3)CCN2C1=O 1326263249 GUVGFKONBDAWAP-KSSFIOAISA-N 377.445 -0.532 30 20 GBED Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)C(=O)NC2CCN(CC#N)CC2)cn1 1326505330 FWPPBWOQSNHICK-IAGOWNOFSA-N 388.472 -0.061 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCC1(C)OCCO1 1326661219 RASFZEBACIXSIT-ZDUSSCGKSA-N 388.428 -0.345 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)C1=O 1327398099 JFODVKSDSKHTNC-IERDGZPVSA-N 398.463 -0.113 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 1327556906 TXHMGQDWJKCIKS-GOSISDBHSA-N 380.514 -0.472 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCN1C(=O)COc2ccccc21 1328043843 JDLFOHUWHNQLAG-UHFFFAOYSA-N 395.437 -0.755 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 1328236467 QBPGVECRJUSWKL-CYBMUJFWSA-N 385.428 -0.312 30 20 GBED C=CCn1c(C[C@@H]2CCCCNC2=O)nnc1N1CCO[C@H](C(=O)NC)C1 1342073131 PIQWTLUMXMVEMF-KBPBESRZSA-N 376.461 -0.126 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)CCN1Cc1ccccc1 1345219998 GDCQHMUGRSYROW-HZPDHXFCSA-N 390.465 -0.474 30 20 GBED C#CC1CCN(C(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 1345972395 NOMPZGQBNOEFSE-INIZCTEOSA-N 397.497 -0.489 30 20 GBED COc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCO[C@H](C#N)C3)C2=O)cc1 1346554688 CKOISNGJQICUGP-CVEARBPZSA-N 386.408 -0.337 30 20 GBED C=CCOCCNC(=O)C(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C 1346715175 RLAMLVGLSNHCQS-AWEZNQCLSA-N 384.477 -0.028 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 1347095695 UCVLPDQDDZDDTP-CYBMUJFWSA-N 385.486 -0.247 30 20 GBED N#CC1(CNC(=O)NCCS(=O)(=O)N2CCSCC2)CCOCC1 1468652866 QRZXADCONBIIJS-UHFFFAOYSA-N 376.504 -0.015 30 20 GBED CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNS(=O)(=O)CC 1546533585 WABJMHMMVPKUNQ-CQSZACIVSA-N 381.506 -0.044 30 20 GBED C#CCCCC(=O)NCCN1CCC(N=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1573284190 UWAYUCLRWVPJBR-UHFFFAOYSA-N 383.460 -0.125 30 20 GBED C#CCNC(=O)[C@@H](C)NCC1(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCC1 1573285631 JWWFGMHNWKTTNO-GFCCVEGCSA-N 384.444 -0.035 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2C1 1573286110 UGRFIIQHRNHPTJ-FPMFFAJLSA-N 383.412 -0.237 30 20 GBED C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1573572842 KHHWFNPIGCIVHX-NSHDSACASA-N 385.432 -0.335 30 20 GBED Cc1c(C#N)c(=O)n(CC(=O)c2ccc(-c3nn[nH]n3)cc2)c(=O)n1CCO 1580526428 XXQUBKDZGGYZRY-UHFFFAOYSA-N 381.352 -0.755 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1OC 1588351190 INCFCXVVGUDGLA-QLFBSQMISA-N 397.443 -0.926 30 20 GBED C#CCNC(=O)CN1CCC2(CC1)C[C@H]2NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588354132 GPNJDZYJOBSFTJ-CQSZACIVSA-N 382.428 -0.472 30 20 GBED C#CCN(CC#C)C(=O)C(=O)Nc1ccc(N2CCN(CC(=O)O)CC2)cc1 1588464862 QEQIZZOAIAFBFO-UHFFFAOYSA-N 382.420 -0.073 30 20 GBED C=CCNC(=O)CN1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588658609 CACDROFQZPTPOO-KRWDZBQOSA-N 388.432 -0.946 30 20 GBED C[C@H](C(=O)N1CCC(C#N)(C(=O)O)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1589346043 KHVVGVZEVBCZOM-VEGXAWMVSA-N 375.381 -0.246 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@]1(C)CN(c2cnc(-c3nn[nH]n3)cn2)CCO1 1602794550 UZIGQEBRSCDTKD-IAGOWNOFSA-N 388.432 -0.305 30 20 GBED N#CCSCC(=O)N1CCCO[C@H](CNc2cncc(-c3nn[nH]n3)n2)C1 1606350717 AUJQRVGGQJAZLF-LLVKDONJSA-N 389.445 -0.057 30 20 GBED C#CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)O 1609078884 NQMYVAOLIPNHDF-CQSZACIVSA-N 381.410 -0.142 30 20 GBED N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 1648500663 MDBZXOFWDMEVEP-XWTMOSNGSA-N 389.477 -0.036 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCNC(=O)C3)CCO2)C1 1778976023 MXPLAKBPFXLYDZ-SIFCLUCFSA-N 393.484 -0.084 30 20 GBED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1779074458 BNCWBJKAVHZIKS-YJBOKZPZSA-N 382.413 -0.113 30 20 GBED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)n1cncn1 1782017787 LWIUCVAXCNNHLO-HBUWYVDXSA-N 389.412 -0.559 30 20 GBED O=C(C#CC1CC1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782951720 CSDGKDCEKAYTMB-QAPCUYQASA-N 380.466 -0.193 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncnn3C)C[C@@H]21 1784479003 RXJJHUPMUFBFFT-AJNGGQMLSA-N 375.429 -0.553 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3[nH]nc4ncccc34)[C@H]2C1 1787346039 LPLIBXQCZDQMBM-UBHSHLNASA-N 397.391 -0.361 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCO)[C@H]2C1 1789916889 CEHMDTWKRRRAAC-YHUYYLMFSA-N 384.473 -0.452 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 1794003666 RKIHRAIOJKNCHW-JJLQDPRZSA-N 388.384 -0.315 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1noc(C)n1 1794056587 YIOVMFKHQIWWIX-MBMVNNNZSA-N 376.413 -0.452 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1 1800525411 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394.377 -0.203 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2F)CC1 281678544 UMVNSQBQPLUVQP-UHFFFAOYSA-N 396.444 -0.630 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 349475388 MQONHGDKFMVHGS-QSLWVIQJSA-N 377.488 -0.353 30 20 GBED CC(=O)N1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N)[C@H](C)C1 349512849 SNHKDNDVCVDRKY-QWHCGFSZSA-N 394.519 -0.567 30 20 GBED C[C@@H]1C[C@H]1CNS(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 349567346 NCERPCCKSFUVDR-MNOVXSKESA-N 375.476 -0.001 30 20 GBED N#CCNC(=O)CNC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 367732658 BPCPAPAJFZHTSC-IBGZPJMESA-N 381.392 -0.116 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C)N1 418958529 GKABOSAZHSYJJF-CKEIUWERSA-N 383.452 -0.016 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CS(=O)(=O)CCO1 509129554 XRIDCYKEXCUPMK-QWHCGFSZSA-N 394.457 -0.618 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)n(CCC#N)n1 532996406 RGQVTPNCRPRVAW-UHFFFAOYSA-N 387.444 -0.534 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@@H](C(=O)OC)C1 543260728 PGMDCDIWRBCFKN-OAHLLOKOSA-N 391.380 -0.078 30 20 GBED Cc1cc(NC(=O)CN(C)C(=O)CNS(=O)(=O)c2cccc(C#N)c2)no1 557255396 LZSBEZLXXCZKRP-UHFFFAOYSA-N 391.409 0.230 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCc3nc(COC)nn3C2)C1=O 566704308 OVMFGUPPWFANMI-QWHCGFSZSA-N 390.444 -0.899 30 20 GBED C[C@H](CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)S(C)(=O)=O 570709692 HWRDFFQWAURAQR-GFCCVEGCSA-N 379.442 -0.849 30 20 GBED COCCOC1CN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1 575072220 VHBNZWDDQHUUOS-UHFFFAOYSA-N 389.455 -0.476 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 597688595 CXIRNPILIQIWHK-CQSZACIVSA-N 378.458 -0.483 30 20 GBED C=C(CNC(=O)[C@H]1CC(=O)N(C2CC2)C1)CNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 620748115 LUVHCORTGMHWSM-OKILXGFUSA-N 388.468 -0.203 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 735394622 QHGCGVMGQWIMHX-UHFFFAOYSA-N 382.420 -0.101 30 20 GBED Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(=O)n(C)c1=O 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C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2O)C1 970395228 UOCCBTJWZAQQKY-KBXIAJHMSA-N 379.457 -0.156 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)CN2CCOCC2=O)[C@H]1C 988644261 ZLFUNNGHUKMWDY-WCVJEAGWSA-N 379.457 -0.068 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc(O)n(C)c1=O 1006388458 JWLWAKONSMUCQI-YXRJLALLSA-N 388.424 -0.061 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cn(C)nc2C)C[C@H]1O 1023960153 BGWMVKBPRGXMPZ-VQHPVUNQSA-N 376.457 -0.060 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)nc1 1025060766 QEWZKYXPRYWFQM-GZOSKZMVSA-N 379.420 -0.098 30 20 GBED C=CCn1cc(C(=O)N2CC[C@](O)(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1 1041003111 NLYQWVSNXIUIOE-ONUSSAAZSA-N 375.429 -0.275 30 20 GBED C#CCNC(=O)CC(=O)N1CC2(C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CO2)C1 1068940051 VORJKBJSLNMYIB-LNORHHCFSA-N 387.436 -0.965 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1074602644 JAKJUEMOVHUJSG-XGUBFFRZSA-N 379.457 -0.441 30 20 GBED CC#CCCNC(=O)C(=O)NCc1cccc(S(=O)(=O)NCCOC)c1 1117322334 KBUCIHPWGUYNER-UHFFFAOYSA-N 381.454 -0.243 30 20 GBED CC(C)OCCN1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1118987161 PZHYUDIKCXEGQO-KRWDZBQOSA-N 377.489 -0.246 30 20 GBED Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)CCn2cc(C#N)c(O)nc2=O)cn1 1154158187 NPGBSVKPRDLXKK-JGTBNHKDSA-N 390.425 -0.724 30 20 GBED N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CCOCC1 1251559707 OREXPZGEIFKJCG-UHFFFAOYSA-N 382.446 -0.254 30 20 GBED Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N3CC[C@@](F)(C#N)C3)CC2)no1 1261304726 BULRUYCOPLOFBW-QGZVFWFLSA-N 392.391 -0.470 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)CCO1 1321690779 LXPHXZDJZPFJPE-LBPRGKRZSA-N 378.476 -0.998 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCN1CCc2sccc2C1 1321837414 BXBBRPWEHONSAJ-UHFFFAOYSA-N 385.511 -0.061 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)CC(C)C)CC2)c1=O 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-0.444 30 20 GBED CN(CCOCCO)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1346035702 LWXMCPUNVSQSJA-UHFFFAOYSA-N 375.429 -0.494 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 1346262438 HEZJFKJASATSPD-HUUCEWRRSA-N 387.502 -0.081 30 20 GBED C[C@@H](CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)CN1CCCCC1 1346278141 TXPPHFRDLIHNPK-VUAZUDAXSA-N 391.472 -0.133 30 20 GBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 1349026380 UPAUJOMKNOETMC-BFHYXJOUSA-N 386.474 -0.600 30 20 GBED N#C[C@H](C(=O)Nc1ccccn1)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1524677624 KSQFESQWSWPOJD-XQQFMLRXSA-N 390.421 -0.235 30 20 GBED Cc1nn(C)c(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1C#N 1531533888 IVFMFZANJYMYDL-JTQLQIEISA-N 378.414 -0.296 30 20 GBED N#C[C@]1(F)CCN(c2nnc([C@H]3CCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1555985162 JZDHWGMXHJKJHI-APHBMKBZSA-N 399.448 -0.226 30 20 GBED N#CCN1CCN([C@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C(=O)C1 1581857764 IQTQBWBNVQMICR-LBPRGKRZSA-N 383.416 -0.533 30 20 GBED C#CCN1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C3)[C@@H]2C1 1588353552 WNAWZDPONZKTPZ-YUELXQCFSA-N 396.411 -0.453 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nn[nH]n2)s1 1588357599 NRJNHHBDTNLAAF-HTQZYQBOSA-N 385.837 -0.096 30 20 GBED C#CCOCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)c(C)n2)C[C@H]1O 1588362315 ZRBSQGFAKBUTES-HUUCEWRRSA-N 385.428 -0.334 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](n2cc(C(=O)O)nn2)C1)[C@H]1CCCO1 1588370658 JTUJGUVNNUIOKF-SGMGOOAPSA-N 375.385 -0.563 30 20 GBED C=CCCOCC(=O)NC1(CO)CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 1588617582 WMAADXCGRRXWRE-UHFFFAOYSA-N 388.432 -0.303 30 20 GBED C=CCN1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1588657601 QYCHQWYRTIEURW-QWHCGFSZSA-N 377.430 -0.696 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1589787893 QYNVXVCJNRZTPY-GFCCVEGCSA-N 391.461 -0.138 30 20 GBED N#CC1(NC(=O)COC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCC1 1592670696 LHXRDDIQTQYOAI-UHFFFAOYSA-N 383.368 -0.298 30 20 GBED Cc1ccc(S(=O)(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)O)c(C#N)c1 1600478160 ORGXEFFGSFFXDD-RYUDHWBXSA-N 392.393 -0.365 30 20 GBED C#CCN1CCN(c2nnc(-c3cnc(-c4nn[nH]n4)cn3)n2CC=C)CC1 1602722272 JMEXKZQKWFHTIB-UHFFFAOYSA-N 377.416 -0.144 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)COc2ccc(-c3nn[nH]n3)cc2)CC1 1602863633 MHCNMGSVOMHDFS-UHFFFAOYSA-N 385.428 -0.308 30 20 GBED CCN(CC)C[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565108 IMIZVZFKBMYJAX-DNVCBOLYSA-N 379.457 -0.118 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC=O)C[C@@H]21 1788573720 ICIVEBPEOURORT-QXKUPLGCSA-N 381.473 -0.326 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cnnn3)[C@H]2C1 1791682899 PEWGEDHZOUKUEY-OWYFMNJBSA-N 392.460 -0.195 30 20 GBED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NS(=O)(=O)CC 1793318274 NFDJEJKFINPZHK-MPTYRVRUSA-N 399.513 -0.293 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1793355739 NCRBZIGOFZDHTR-HGTKMLMNSA-N 379.461 -0.993 30 20 GBED CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2)C(=O)O 1795645164 DASWQRHXNORRFI-QVHKTLOISA-N 378.429 -0.667 30 20 GBED CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1797699308 QTJJWNLGUDGWFT-APIJFGDWSA-N 391.472 -0.023 30 20 GBED NC(=O)c1ccccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1799625692 GZOVZVDTLBXKKF-DPIQGUFMSA-N 385.376 -0.923 30 20 GBED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2 1801165233 CYHBLAQBFKISSA-KRXQYRFLSA-N 379.457 -0.168 30 20 GBED CCS(=O)(=O)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1815174735 RRDLGHURCFBRJM-LBPRGKRZSA-N 396.425 -0.076 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NNC(=O)C1)CC2 1825667814 XMPHMHRDVOGBCE-ZETCQYMHSA-N 375.366 -0.981 30 20 GBED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CNC(=O)C2)CC1 1831421505 YZPXHKCBBREFJY-HUUCEWRRSA-N 375.425 -0.170 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1832452773 HBQPXXYRYKYUBN-MAUKXSAKSA-N 381.498 -0.110 30 20 GBED COc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834755970 GHDPBZSXQOUFBR-KRWDZBQOSA-N 375.385 -0.531 30 20 GBED COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1835244336 XJZYKAHCBUCKSV-GOSISDBHSA-N 381.429 -0.590 30 20 GBED CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3(C#N)CC3)CCO2)C1 1835338760 RPZFHMRRJFQUGL-LJQANCHMSA-N 392.456 -0.339 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC#N)CCO2 1835351954 GYBCAVVMORISGF-SFFCAUCYSA-N 390.440 -0.395 30 20 GBED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839875673 RZGXZVDIVWKZKU-KUHUBIRLSA-N 377.441 -0.619 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1840041329 GPKADJHHNLLVDU-NRFANRHFSA-N 396.399 -0.418 30 20 GBED Cn1c(=O)c2c(ncn2CC(=O)NCc2ccc(OCC#N)cc2)n(C)c1=O 263940331 UYWCJTWCBVSDQX-UHFFFAOYSA-N 382.380 -0.348 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@H](O)COCCOC(C)C)C1=O 267147452 RBZVHEVUWWTDBZ-ZDUSSCGKSA-N 385.417 -0.776 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)c1cc(N2CCNC(=O)C2)ccn1 276081511 GHVMEBWMGIVAPP-UHFFFAOYSA-N 386.456 -0.294 30 20 GBED COC(=O)COCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 289116853 RDLVBZCBNSROCO-UHFFFAOYSA-N 381.410 -0.419 30 20 GBED CN1CC[C@H](N(C)/C(O)=N/C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)C1=O 329306292 YPOZBEACAHIWNA-AWEZNQCLSA-N 398.489 -0.350 30 20 GBED COCc1nc2n(n1)C[C@H](N/C(O)=N/CCC(=O)N1CCN(C)CC1)CC2 329768445 GQAVFHLKYROJIP-CYBMUJFWSA-N 379.465 -0.593 30 20 GBED N#CCN1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 332922377 JEFPXQOWACHMOO-ARFHVFGLSA-N 396.513 -0.236 30 20 GBED CN(C1(CO)CC1)S(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 349477390 IRLQNZCUZFZLBS-UHFFFAOYSA-N 391.475 -0.790 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@H](O)CC[C@H]2C1 349488220 FDRSSIGPWZZUTJ-IGQOVBAYSA-N 379.504 -0.369 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2CC(N(C)C)C2)c1C#N 349494497 CSULYRSGPDQBHK-UHFFFAOYSA-N 390.491 -0.703 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@]2(CCN(C)C2)C1 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CCOC(=O)C[C@@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 597675111 DDDBJYVOXOAQFM-YPMHNXCESA-N 383.426 -0.345 30 20 GBED CS(=O)(=O)N1CCN(CCNS(=O)(=O)Cc2cccc(C#N)c2)CC1 609389892 WEYPIMFHYDPFQQ-UHFFFAOYSA-N 386.499 -0.445 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CCc3ccncc3)CC2)C1=O 636296578 QLEOCMNOPFQHKV-UHFFFAOYSA-N 385.424 -0.255 30 20 GBED C#CCNC(=O)CN1CCN(C[C@@H](O)COCc2ccc(OC)cc2)CC1 728572011 TWSXEOVNFQGPSL-GOSISDBHSA-N 375.469 -0.060 30 20 GBED N#C[C@@H](C(=O)c1ccnc(O[C@@H]2CCOC2)c1)C(=O)N1CCS(=O)(=O)CC1 755682202 VWVZOOXXVNPCOH-KGLIPLIRSA-N 393.421 -0.171 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@H](C#N)C1 757592228 SZTPWCZMRVFKRK-VXGBXAGGSA-N 377.401 -0.198 30 20 GBED N#Cc1ccc(CNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc1 780639514 HBCTXANKRHVGMB-UHFFFAOYSA-N 384.396 -0.544 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(COC)ccc2OC)CC1 795822713 JUNFVWIRWIKCBK-UHFFFAOYSA-N 395.481 -0.103 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2 803839548 WAFDXWHOUGJANG-GFCCVEGCSA-N 377.401 -0.250 30 20 GBED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(-c3nn[nH]n3)s2)c1=O 819759051 MPCGUGNMKGCQNK-UHFFFAOYSA-N 399.461 -0.414 30 20 GBED C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc[nH]n2)cc1 848942653 RGVGKSXWXBBEOD-LLVKDONJSA-N 399.454 -0.342 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC(=O)NC[C@H]2c2ccccc2)c1=O 902564628 VCVSGJPUBGDJRA-INIZCTEOSA-N 397.435 -0.326 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nc(C)c(C)[nH]c2=O)C[C@@H]1O 964504679 ZRQRECHRXBANIF-FQLMCAECSA-N 390.440 -0.331 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc3c(c2)ncn3C)C1 969504951 RXQIWRGMPAMHEI-OJLVUWQFSA-N 385.424 -0.139 30 20 GBED C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](N=c2cc[nH]cc2C#N)C1 1039636981 AFNVDMIBDTZCIB-IEAZIUSSSA-N 383.412 -0.365 30 20 GBED CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 1092920296 YRXIQMLPKHFGQV-AGIUHOORSA-N 378.458 -0.098 30 20 GBED C=C(C)CCN1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094659811 RAZWHVYQEOSFOX-LJISPDSOSA-N 385.486 -0.705 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@H](C)NC(N)=O 1109278685 YWVFPEMRHWVKFU-XGUBFFRZSA-N 378.477 -0.083 30 20 GBED CC(C)(C)N1C[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CC1=O 1110615476 TWILAVRVKMLQDM-YJNKXOJESA-N 375.473 -0.005 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC(=O)NC)nn1 1111129230 HEJDGYRXWKVLII-BZPMIXESSA-N 375.433 -0.355 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)CCO1 1117920703 JOJMLABGCWLHAK-MRXNPFEDSA-N 382.424 -0.271 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccn(Cc2ccncc2)n1 1254493296 UMXPEDQVEXRHJT-UHFFFAOYSA-N 377.426 -0.018 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)nn1 1325948096 SLFCYVQTZVZPRU-MRXNPFEDSA-N 375.477 -0.681 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)C1=O 1326818728 XOBUMAZRMDNAON-RDJZCZTQSA-N 392.500 -0.151 30 20 GBED Cc1oc(C#N)cc1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1326942638 HBLFHGHXGVMKSI-ZDUSSCGKSA-N 394.453 -0.479 30 20 GBED CN(C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCNC1=O 1329444459 PNPQZJUOKFQOBR-LSDHHAIUSA-N 383.408 -0.483 30 20 GBED Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2=O)n(C)n1 1330407991 GWRGBGADVJKHTN-GJZGRUSLSA-N 399.455 -0.851 30 20 GBED N#CC[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 1333324974 DTDWCFYDOCVSOH-AWEZNQCLSA-N 388.428 -0.167 30 20 GBED CS(=O)(=O)NCCNC(=O)C(=O)N1CCCN(c2ccccc2C#N)CC1 1341882965 PUXFYYHUKJMQLH-UHFFFAOYSA-N 393.469 -0.738 30 20 GBED CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCO1 1349345608 YZKUKINNLQPCRQ-FZKQIMNGSA-N 396.444 -0.384 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)CCN1C1CC1 1351849900 VJUNWGQXJCQYBG-NVXWUHKLSA-N 387.484 -0.050 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nc3)C[C@@H]2O)nn1 1573350414 DVFHQTZZRKTSFZ-OCCSQVGLSA-N 382.388 -0.981 30 20 GBED C=CCNC(=O)Cn1c([C@H]2CCCNC2)nnc1N1CCN(C)C(=O)[C@H]1C 1574937535 ZCQVVNKWCGXHLG-KGLIPLIRSA-N 375.477 -0.286 30 20 GBED C[C@H](OCc1cnn[nH]1)C(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(C#N)c2)C1 1575857998 MYIOONYKCKDIBJ-GTNSWQLSSA-N 387.400 -0.697 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCCN1Cc1cnn[nH]1 1577706337 CZNBUKJDFSDIMY-WCVJEAGWSA-N 386.460 -0.870 30 20 GBED C=CCOCC(=O)N[C@@H]1CN(Cc2ccc(OC)c(-c3nn[nH]n3)c2)C[C@@H]1O 1588675266 AUSOMSWHILNSLU-CABCVRRESA-N 388.428 -0.261 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[nH]n3)nn2)C1 1588722459 XLDJAXNRLWZHGP-SCRDCRAPSA-N 386.416 -0.113 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](Cc1ccncc1)C(=O)O 1594697036 NMKGDIIOTJLXKH-ZDUSSCGKSA-N 388.405 -0.068 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[nH]n3)C[C@H]2O)CC1 1602717953 KCLIBWLVBASHAZ-HZPDHXFCSA-N 396.455 -0.727 30 20 GBED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)O)C1 1604584635 WUUIZCJJTFFVIW-IUODEOHRSA-N 375.447 -0.110 30 20 GBED N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1712884601 PCBSVBKLHMUNOS-MELADBBJSA-N 381.458 -0.055 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccn4ccnc34)C2)C1 1778585422 FJTCVVDXTINVFJ-IBGZPJMESA-N 382.376 -0.134 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1778969900 USTQYAQVCDVBGC-AUUYWEPGSA-N 393.488 -0.771 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4C[C@H](O)CN4)[C@H]3C2)c1 1789762743 IUNFZXMPNVGVMS-VMXHOPILSA-N 398.463 -0.126 30 20 GBED O=C(CN1C(=O)C=CC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1791390790 UCUVYVWRDRAJIF-JYJNAYRXSA-N 385.420 -0.696 30 20 GBED CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1)C(=O)O 1795275749 QSEJDKCRMZKJQQ-CLWJZODNSA-N 399.447 -0.310 30 20 GBED CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797744123 OVDBMLLLPSOTCC-NJICOXIMSA-N 393.488 -0.428 30 20 GBED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H](O)CN2)cc1 1799140871 UICCKPYMZUCQSQ-PJVZLEMVSA-N 398.463 -0.321 30 20 GBED C[C@@H](CC(N)=O)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825661601 XOPHKHHWYBZBFW-IUCAKERBSA-N 378.410 -0.345 30 20 GBED CC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1830521711 UDKFVAPJPVPTJI-SJQBNMSZSA-N 396.488 -0.315 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC)C2)C1 1831394169 YLXARUUYNXFLCS-MDZRGWNJSA-N 381.473 -0.521 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836132209 OWFUEBQOQKOXGJ-CRAIPNDOSA-N 393.444 -0.674 30 20 GBED CO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742074 PPEQJJZUJDQHHG-FZKQIMNGSA-N 376.413 -0.009 30 20 GBED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2)C(F)(F)F 1839166056 DTNASGHMSMZGTQ-SWLSCSKDSA-N 393.362 -0.304 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccsc3)C2)C1 1840041985 TWQVZUKYOYQAEQ-GOSISDBHSA-N 392.433 -0.165 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]3(F)Cl)C2)C1 1840044342 UBHXYFDYEPPUAD-XZJROXQQSA-N 388.779 -0.545 30 20 GBED CCS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840157357 MANVOOXNLJURJP-WFASDCNBSA-N 394.515 -0.804 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1840202148 DFZRWYSJCCKXBK-AWEZNQCLSA-N 392.334 -0.965 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1840844245 LFIDWONAYMHILE-GOSISDBHSA-N 378.425 -0.191 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840918485 ZOSNHISLVXKHFK-CZUORRHYSA-N 388.490 -0.935 30 20 GBED COCCN1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1=O 271064945 IKFIMLCACWXQJB-UHFFFAOYSA-N 394.453 -0.191 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 281815307 SGPSCPWGXOLJML-OLZOCXBDSA-N 378.462 -0.029 30 20 GBED CN1CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(CC#N)CC#N)CC1=O 349452146 NZLJQGPEOFBYOB-UHFFFAOYSA-N 397.438 -0.855 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CO)ccc1C#N 349475971 OBOVTGVGKPHSHN-NSHDSACASA-N 390.487 0.036 30 20 GBED CC1(C)C(=O)NCCN1S(=O)(=O)CCCCS(=O)(=O)NC1(C#N)CC1 349586904 FWLFTLIBQUZBHD-UHFFFAOYSA-N 392.503 -0.718 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CC[S@@](=O)[C@@H](C)[C@H]1C 349610408 JOXZYKSCSPXYTR-KWEKOBGCSA-N 399.560 -0.231 30 20 GBED N#C[C@@H]1N(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CCC[C@@]12CCCCO2 365097054 CSCPCTUNXNYZQF-ZQIUZPCESA-N 398.485 -0.073 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)C1=O 370549078 XWLMZJOUYSTXER-KBPBESRZSA-N 378.429 -0.277 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 374457786 GQOFPOUDNPFGJJ-AWEZNQCLSA-N 394.519 -0.407 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 420211460 XEIRXVOQKHXXTF-CYBMUJFWSA-N 375.404 -0.549 30 20 GBED CC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)C1 422115481 MVBVPPITJIAWSJ-CYBMUJFWSA-N 390.469 -0.291 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)n1 444599178 QLCNMENGIVXCBH-QGZVFWFLSA-N 396.451 0.271 30 20 GBED C=CCNC(=O)NC(=O)CN(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 451267729 JRSFDUUZYAKFSN-UHFFFAOYSA-N 383.474 -0.286 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCO[C@H](C(N)=O)C3)CC2)c(F)c1 460071723 CZCHGPSFVTXACG-HNNXBMFYSA-N 389.387 -0.941 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 525986743 SLCOJNFQTNZYSB-UONOGXRCSA-N 392.437 -0.576 30 20 GBED CS(=O)(=O)C1(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCCC1 527933435 QRHIPSGZLVTOOJ-UHFFFAOYSA-N 395.441 -0.256 30 20 GBED COc1cc(C#N)ccc1S(=O)(=O)N1CCCN(C(=O)CNC(C)=O)CC1 528537007 IWGVCPWZSAQVQE-UHFFFAOYSA-N 394.453 -0.074 30 20 GBED C[C@H](C#N)CNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 537011749 MHQMJBNXTGJIEX-CZUORRHYSA-N 386.408 -0.085 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1COC[C@H]1O 569139633 ONGFAXLZCCGLIN-QJPTWQEYSA-N 389.455 -0.695 30 20 GBED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C[C@H](CO)O1 571646461 CUUFJEMSWDNTFJ-YRGRVCCFSA-N 395.437 -0.081 30 20 GBED N#CCNC(=O)CNC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 575856205 OLSJMCPYGUBSPR-NSHDSACASA-N 385.471 -0.302 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](n2cncn2)C1 594636733 YMILINVMZAYJCV-QWHCGFSZSA-N 390.491 -0.582 30 20 GBED C=C(CNC(=O)[C@H]1CC(=O)N(C2CC2)C1)CNC(=O)[C@H]1CC(=O)N(C2CC2)C1 620748114 LUVHCORTGMHWSM-KBPBESRZSA-N 388.468 -0.203 30 20 GBED C=CCN(C)C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 682125193 URXZDPBZNJGKKQ-UHFFFAOYSA-N 381.458 -0.254 30 20 GBED Cc1nnc(S)n1CCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 743500736 RBLOVTLNTXHSDE-UHFFFAOYSA-N 380.455 -0.270 30 20 GBED C#CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)CC1 746260103 VMVPIEUZGLMBIX-UHFFFAOYSA-N 398.510 -0.560 30 20 GBED N#CC1(NC(=O)COC(=O)CCn2cc(S(N)(=O)=O)cn2)CCCCC1 749327134 PJYWYEMVXGJBIP-UHFFFAOYSA-N 383.430 -0.194 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@H]2CCOc3ccccc32)CC1 761031173 OVBLFBVVMHXURJ-INIZCTEOSA-N 392.481 -0.288 30 20 GBED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCS(=O)(=O)C1 766330123 APFOXOMCNXGCGF-LLVKDONJSA-N 385.467 -0.191 30 20 GBED N#CCCCS(=O)(=O)NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 776117848 YRNYQZGJQUONHV-ZDUSSCGKSA-N 381.389 -0.005 30 20 GBED C[C@H]1OC(=O)N[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 788632553 KXCQQESAJLFYOC-BXUZGUMPSA-N 378.410 -0.112 30 20 GBED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 795088361 HBEFSKGTDWXKAG-UHFFFAOYSA-N 385.467 -0.365 30 20 GBED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NCC(=O)NCC#N)CC1 805036124 SDTNEVWADGQHBR-UHFFFAOYSA-N 382.421 -0.995 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H](C#N)C1CC1 820438105 ISRPWORAQKNYOG-ZANVPECISA-N 375.414 -0.048 30 20 GBED N#Cc1nc(NC(=O)c2cnn(CC(=O)NC3CCCC3)c2)[nH]c1-c1nn[nH]n1 822815247 NNONFBUCOPXSAU-UHFFFAOYSA-N 395.387 -0.031 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2c[nH]c(C(=O)O)c2)c1=O 833368539 QFEQJEISSJNECH-UHFFFAOYSA-N 398.444 -0.011 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCN(Cc2nc[nH]n2)CC1)c1cc[nH]n1 846526314 GWPHICAIXBGLGW-UHFFFAOYSA-N 390.404 -0.844 30 20 GBED C[C@H](CC(=O)N[C@]1(C(N)=O)CCOC1)/N=C1/NS(=O)(=O)c2ccccc21 848317579 GGIXUCSWVLWSCS-QLJPJBMISA-N 380.426 -0.736 30 20 GBED C#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1nnc([C@@H]2CCCO2)o1 848962102 ZNECQHLWEWRRIA-NSHDSACASA-N 392.459 -0.052 30 20 GBED C#C[C@H](C)NS(=O)(=O)CCCCS(=O)(=O)N=c1ccnc2n(C)[nH]cc1-2 848967532 ARDFUKYTLJNQGP-LBPRGKRZSA-N 399.498 -0.195 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)Nc1ccc(F)cc1OCC#N 850606198 RSPAIEAVXAXOLP-WCQYABFASA-N 385.373 -0.405 30 20 GBED C#CC[C@@H](CCOC)NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 863790717 OALPVHQUGLYMAN-NSHDSACASA-N 381.410 -0.214 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)CS(C)(=O)=O)C[C@@H]21 960452540 WHUADHVZMNGAMC-CBBWQLFWSA-N 386.470 -0.550 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@@H]1O 964613193 DXOXMARQOYHSOA-MQYQWHSLSA-N 386.412 -0.593 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnn(C)c1N 1109180115 OLWUZBLAPWIBMS-WXHSDQCUSA-N 375.433 -0.651 30 20 GBED N#CC1(c2ccccn2)CCN(C(=O)NCCOCCS(N)(=O)=O)CC1 1118543658 RPCUOKLCIUSVEZ-UHFFFAOYSA-N 381.458 -0.047 30 20 GBED C=CCn1c(C[S@](C)=O)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1121603340 BLRGFPQOHIVCTE-MHZLTWQESA-N 396.517 -0.677 30 20 GBED Cc1oc(-c2cnn(C)c2)nc1C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1122497340 CWUZXACRNPKMRA-LBPRGKRZSA-N 391.409 -0.037 30 20 GBED N#Cc1ccc(CCNC(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1 1261698417 IMTDESQOXNGWPX-IBGZPJMESA-N 399.495 -0.260 30 20 GBED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccn(CCC#N)n1 1319536323 IVSGMGRJCRNCQK-AWEZNQCLSA-N 389.460 -0.206 30 20 GBED CN1CCC(N2CC[C@H](NC(=O)C(=O)NC3CCN(CC#N)CC3)C2)CC1 1322621560 IYDJUAQPRSAFAM-INIZCTEOSA-N 376.505 -0.625 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 1322764691 FEBSSMFSLBRMFL-UHFFFAOYSA-N 392.437 -0.740 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(OC[C@H]2CCOC2)CC1 1323996908 GHUUWCQYBYMVMH-AWEZNQCLSA-N 388.486 -0.253 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1C[C@H](C)[C@@](C)(CO)C1 1327351645 GEDDGXVURWGOFV-IQUTYRLHSA-N 386.456 -0.138 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)O)c2ccnn2C)cc1 1573311437 QCMMZTGQPALYLK-AWEZNQCLSA-N 376.394 -0.113 30 20 GBED C=C[C@@](C)(O)CC(=O)NCCN1CCN(c2nccnc2-c2nn[nH]n2)CC1 1588504474 KRUFDLXNUWERPD-QGZVFWFLSA-N 387.448 -0.778 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H](C)CN=c1cc[nH]cc1-c1nn[nH]n1 1588658366 HRGIILXTHIFONM-NSHDSACASA-N 387.448 -0.136 30 20 GBED Cn1c(N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(-c2nn[nH]n2)c(=O)n(C)c1=O 1592553368 OWZZDDKNMJYDDL-LLVKDONJSA-N 395.383 -0.812 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](CO)Cc1cnn(C)c1 1639488616 ZZKINCUTKSNUEI-WFASDCNBSA-N 391.453 -0.322 30 20 GBED Cn1cnnc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1729592447 SMNKJAFIRMYDFA-XHDPSFHLSA-N 394.436 -0.201 30 20 GBED N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCC(=O)N2CCOCC2)CCO1 1770749502 ZKYMUEWBLOZZKW-CABCVRRESA-N 390.444 -0.240 30 20 GBED CO[C@@H]1C[C@@H](C(=O)O)CN(S(=O)(=O)CCOC2(C#N)CCOCC2)C1 1777158822 FZTJJEIFLBQILD-CHWSQXEVSA-N 376.431 -0.173 30 20 GBED C[C@@H](Oc1cccnc1)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1784548535 USXUMHNBEUBXPM-AUUYWEPGSA-N 387.392 -0.233 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1 1797621970 UMIGDZXJFUNGIE-NFFDBFGFSA-N 392.460 -0.500 30 20 GBED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830057897 LKLWRTONKLBBAJ-LIRRHRJNSA-N 392.456 -0.317 30 20 GBED CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1831277077 XTHCKGDOBBRVDZ-GOSISDBHSA-N 389.412 -0.908 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnco3)C2)C1 1831386539 HNXUBZOADWQZTQ-KSSFIOAISA-N 377.397 -0.217 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3C)C2)C1 1831390898 ACLFSDLLPADSRQ-DNVCBOLYSA-N 390.440 -0.472 30 20 GBED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)no1 1834350564 BYVYUOCGPKWVDI-QGZVFWFLSA-N 377.353 -0.859 30 20 GBED Cc1nc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)no1 1835355089 UAFDLPQZBVHNAB-QGZVFWFLSA-N 377.401 -0.319 30 20 GBED CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838733110 NQXSHSVODFWEAZ-GOSISDBHSA-N 389.412 -0.908 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1839628970 UCYJLJSRHRMPND-SFHVURJKSA-N 384.396 -0.058 30 20 GBED Cc1ocnc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042515 YRKILOWBKLXQQN-KRWDZBQOSA-N 377.353 -0.859 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840318815 BWRRHIYGPYXFSE-KDOFPFPSSA-N 399.444 -0.610 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)nn3C)C2)C1 1840840212 FLKBOFQKOMVWPV-LJQANCHMSA-N 390.440 -0.088 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)CC)C2 1841053062 SRYUFYNIUWZURO-SREVYHEPSA-N 383.470 -0.517 30 20 GBED CCCn1c(=O)/c(=C\c2cnn(CC)c2)s/c1=C(/C#N)C(=O)NCCOC 264924919 NCTWEJKOAVCUNE-IATADAHLSA-N 389.481 -0.198 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCc1nnc(S)n1CC)c1cc[nH]n1 276565204 JOCSZLBHFZNGPZ-UDWIEESQSA-N 381.418 -0.090 30 20 GBED C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 282738057 XSRDBXUETBHPHM-UHFFFAOYSA-N 388.476 -0.251 30 20 GBED O=S1(=O)CCC[C@@H](CN/C(O)=N/CCS(=O)(=O)N2CCSCC2)C1 329282033 NLVUQJPBWQOBPT-LBPRGKRZSA-N 399.560 -0.307 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCO[C@H](C#N)C2)c1 330655004 NRXOYYSSXRCWKN-CYBMUJFWSA-N 382.442 -0.370 30 20 GBED CNS(=O)(=O)NC1CCN(/C(O)=N/C[C@H](C)CN2CCN(C)CC2)CC1 331228516 FPJBPQRPUJIHCS-AWEZNQCLSA-N 390.554 -0.698 30 20 GBED N#CCC1(O)CN(S(=O)(=O)CCCS(=O)(=O)Nc2cccc(C#N)n2)C1 349450890 AZVAQCBIBGKEBG-UHFFFAOYSA-N 399.454 -0.625 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)N(C)C(C)(C)C#N)C[C@@H]1O 349600318 LLFHRSRAIPSKQK-OLZOCXBDSA-N 381.520 -0.027 30 20 GBED CC(C)[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1nc(-c2nc[nH]n2)no1 409508675 SIWSRYZRUZGSCY-UWVGGRQHSA-N 382.406 -0.389 30 20 GBED C=CCNc1ncc(C(=O)N[C@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)s1 433236018 PJLCTPNCTJOKPT-MNOVXSKESA-N 386.499 0.410 30 20 GBED COCCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H](C)C(N)=O 436131044 OZTXDGHZCQXLPF-LBPRGKRZSA-N 378.433 -0.675 30 20 GBED COCCCNC(=O)CN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481143683 MZAYSRBKROLWIE-CYBMUJFWSA-N 396.469 -0.164 30 20 GBED COC(=O)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCO1 487729762 XIKHRGFQTBJZCX-CQSZACIVSA-N 381.410 -0.107 30 20 GBED CN(CC(=O)N(CCC#N)CCN1CCOCC1)S(=O)(=O)c1cccnc1 499337258 KVEFIMFHLFIWRE-UHFFFAOYSA-N 395.485 -0.223 30 20 GBED C=CCNC(=O)CS(=O)(=O)c1nnc(-c2cccs2)n1CCC(N)=O 506883379 FTFDAISQHLEVJN-UHFFFAOYSA-N 383.455 -0.042 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O 511344060 ONFCSXVNKNHXMW-KGLIPLIRSA-N 396.535 -0.209 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(C(=O)NCC(=O)NCC#N)CC2)cs1 511896803 PEVOBYGZKTWFOP-UHFFFAOYSA-N 386.459 -0.893 30 20 GBED CC(C)(C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCc2nc[nH]n2)cc1 522013264 FFDMCYIIMIKAJX-UHFFFAOYSA-N 398.470 -0.094 30 20 GBED N#Cc1ccccc1N1CCCN(C(=O)C(=O)NCC(=O)N2CCNCC2)CC1 557318952 HZKWPFLJSHJCSA-UHFFFAOYSA-N 398.467 -0.855 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCNC(C)C)CC2)c1C#N 571778193 ZUCYDLGVBWDUIH-UHFFFAOYSA-N 375.477 -0.247 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)ncc1C#N 573217857 SGUKFJQNMCCLJL-UHFFFAOYSA-N 384.440 -0.033 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)C[C@@H]1N(C)C 577867435 ZQSOJOVHFVDIMZ-STQMWFEESA-N 380.536 -0.190 30 20 GBED COC(=O)C[C@]1(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCOC1 579251171 ZXLMHSIPTSTVFB-MRXNPFEDSA-N 381.410 -0.325 30 20 GBED N#C[C@@]1(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCOC1 584353011 KIRIFUYTMIFKPD-INIZCTEOSA-N 381.410 -0.075 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@H](C)O1 593700757 QVVQRUQVORGVIT-FZMZJTMJSA-N 398.379 -0.134 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cccc(NS(C)(=O)=O)c2)CC1 728534449 LLEAJFDYTCXDTH-UHFFFAOYSA-N 378.454 -0.435 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 728608998 YSXHQBQQYDPLSH-UHFFFAOYSA-N 394.453 -0.729 30 20 GBED CCN(CCC#N)C(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745446044 YSLMRVUHZCWCBT-HPYVJYLESA-N 377.397 -0.157 30 20 GBED C[C@H]1CN(S(=O)(=O)N2CCN(Cn3cccc(C#N)c3=O)CC2)C[C@@H](C)O1 758203740 GOUMILRRWAAMAA-GASCZTMLSA-N 395.485 -0.351 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 770655869 LYYAHBLNKCEYDA-UHFFFAOYSA-N 398.400 -0.291 30 20 GBED C#CCN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 780691283 XKEPYSPZGPVAMI-WBVHZDCISA-N 395.456 -0.273 30 20 GBED C=CCS(=O)(=O)CCNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 783547955 UVPZMJCHHAIMFK-UHFFFAOYSA-N 391.449 -0.225 30 20 GBED N#CC(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)n1CC(N)=O 783955425 PCTXLWFEPFIKPJ-UHFFFAOYSA-N 389.780 -0.017 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 785717867 NQSFBXDGWZGEEP-ZIAGYGMSSA-N 379.413 -0.017 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1 799287107 MZAHIMDISDEMSD-AWEZNQCLSA-N 397.453 -0.560 30 20 GBED C[C@H](C(=O)N(C)CC(=O)NS(=O)(=O)c1cncc(C#N)c1)n1cccn1 816095260 WKPJOFWQQDIVIQ-LLVKDONJSA-N 376.398 -0.326 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H]2CNC[C@@H]2C#N)cc1 834498642 BDEZLRWAGIBMNT-JSGCOSHPSA-N 380.426 -0.631 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)CCO1 848507178 JDSOMVBLBMTVOM-GHMZBOCLSA-N 384.380 -0.154 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 850712781 RVAQQAXTFPOPBW-ROUUACIJSA-N 378.517 -0.031 30 20 GBED Cn1c(=O)c2ccc(C(=O)OCC(=O)N[C@@](C)(C#N)C3CC3)nc2n(C)c1=O 913373940 GUKZUZMSIKVXHY-SFHVURJKSA-N 385.380 -0.403 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914652343 KTQGHQDGIPDHMR-AHIWAGSCSA-N 399.469 -0.380 30 20 GBED C#Cc1ccc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H]2OCCO[C@H]2C)nc1 960558123 CCKCLDRAOIPHJO-RUGDWHBFSA-N 385.420 -0.081 30 20 GBED Cc1cc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2cnc(C(N)=O)n2)c(C#N)cn1 1055228229 AHPOSEDRXMFZIV-RDBSUJKOSA-N 380.412 -0.122 30 20 GBED C#CCNC(=O)CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CCO1 1065397041 QOAREIULRWUVGK-JTOWHCCKSA-N 377.441 -0.715 30 20 GBED CO[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1082130669 YZMGWBYMKNRUSU-LXTVHRRPSA-N 378.454 -0.032 30 20 GBED COCCS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 1092930072 MBGAHCAMLXKWTH-RDBSUJKOSA-N 379.442 -0.365 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1c(C)c(C)sc1=O 1110151859 BUWBOFRVNXBCBB-ILXRZTDVSA-N 376.482 -0.002 30 20 GBED N#CCOc1cccc(CNC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)c1 1118027129 RLYBCDVURUNQHG-UHFFFAOYSA-N 393.469 -0.282 30 20 GBED CN1C[C@H](NC(=O)C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1=O 1118349592 KKQAOKKAEIDNEB-QGZVFWFLSA-N 383.452 -0.014 30 20 GBED C=CCn1c(CN2CCC[C@@H](O)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1121530551 LZOXQRPRPQGLHL-CQSZACIVSA-N 384.506 -0.498 30 20 GBED C=CCn1c(CN2CCC(O)CC2)nnc1N1CCN(CC(=O)NCC)CC1 1121633775 MFZMLRMOZPVMOL-UHFFFAOYSA-N 391.520 -0.321 30 20 GBED Cn1c(=O)[nH]c(N2CCO[C@@H](c3ccc(S(C)(=O)=O)cc3)C2)c(C#N)c1=O 1187130226 JTPKFTMBVBCLBO-CQSZACIVSA-N 390.421 -0.073 30 20 GBED C=C[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 1320427349 XDEYVNSLTNMZJK-AWEZNQCLSA-N 375.495 -0.993 30 20 GBED C[C@H](C(=O)Nc1ccccc1C#N)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 1324657199 MVPJHCFRCNSDDM-XOKHGSTOSA-N 392.481 -0.339 30 20 GBED C#CCOCCn1nnnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1355800828 KFTGWMBAJJZIRG-UHFFFAOYSA-N 394.432 -0.027 30 20 GBED CN1CCN(c2ccncc2NC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1464383204 JWMBEHAVAKOEQH-UHFFFAOYSA-N 383.412 -0.004 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[nH]n3)cn2)C1 1573286364 ZTXBYLXKFZUTMU-HIFRSBDPSA-N 381.444 -0.209 30 20 GBED C[C@@H](C#N)C(=O)N1CCC(N(CCO)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1573563701 CHXYGSITUCPDIW-NSHDSACASA-N 386.416 -0.220 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2COCCN2)nnc1N1CCOCC2(CC2)C1 1574936645 NJIMLHPMMPDKPO-AWEZNQCLSA-N 376.461 -0.142 30 20 GBED C=CCS(=O)(=O)CCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@H]1C[C@@H](N)C1 1574950353 GDYISMKXERQDEP-HZSPNIEDSA-N 396.517 -0.202 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3cnn[nH]3)nc2)nc1 1575022394 PATZYYUDDOVSQA-AWEZNQCLSA-N 391.391 -0.236 30 20 GBED CN(C[C@@H](O)CN(C)c1cnc(-c2nn[nH]n2)cn1)C(=O)c1ccc(C#N)[nH]1 1579028363 NBQWWRZSFDDSJN-NSHDSACASA-N 382.388 -0.574 30 20 GBED N#Cc1cncc(N2CCOC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 1581883768 VUPBFLRYODTYLL-LBPRGKRZSA-N 380.372 -0.508 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H](O)CNc1nc(Cl)c(-c2nn[nH]n2)s1 1588357600 NRJNHHBDTNLAAF-JGVFFNPUSA-N 385.837 -0.096 30 20 GBED O=C(/C=C/c1ccc(F)cc1)C(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O 1592791720 JWVUOVCZTQGWEA-ZZXKWVIFSA-N 399.342 -0.333 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@@H]21 1602721504 MBKUXRYGPYSAJU-CQJJVWNLSA-N 379.428 -0.695 30 20 GBED C=CCN1C(=O)c2ccc(C(=O)NCCn3cnc(-c4nn[nH]n4)n3)cc2C1=O 1602863032 PWILFNOPJOIEAB-UHFFFAOYSA-N 393.367 -0.330 30 20 GBED CCOC(=O)C1([S@@](C)=O)CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 1663396659 VJUFXUARLVBKOF-OIRASMEMSA-N 393.487 -0.768 30 20 GBED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1783194641 FZUDXJZBQVCPAK-LRDDRELGSA-N 388.415 -0.380 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(C)(C)O)C[C@@H]21 1783530384 WMRQIWNBLYFQHX-FCLICNRPSA-N 393.484 -0.015 30 20 GBED CC(C)n1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n1 1783561603 BPRBCOLQFPKTQJ-KRWDZBQOSA-N 375.385 -0.610 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)CC)C[C@@H]21 1784477491 DZQOUHCZOQFGPZ-NRKLIOEPSA-N 393.484 -0.081 30 20 GBED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21 1789952520 KXHTWFAPBNBPDW-YTFOTSKYSA-N 396.444 -0.125 30 20 GBED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CNC(=O)C2)C3)cc1 1792558786 CEJWHGZQPPACTN-PDOICOKGSA-N 396.447 -0.174 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(N(C)C)o1)C2 1793342492 QMVOOZGHRCIQGE-HGTKMLMNSA-N 390.440 -0.018 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C)nc1OC 1794577820 CGBFKHOPYXICAV-HGTKMLMNSA-N 390.440 -0.330 30 20 GBED NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797743919 HTVQLJVUZMAADE-YLAUDWTASA-N 379.461 -0.687 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1=O)C2 1799393768 ODEZLKQNKFXMHD-AFIMGQEJSA-N 394.472 -0.001 30 20 GBED NC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)C2 1804476917 ZTFBDMAPKBMNDJ-YKZHSWPNSA-N 381.433 -0.178 30 20 GBED N#CCCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1806863253 NSQPSEBHFIFHMR-RLFYNMQTSA-N 386.456 -0.016 30 20 GBED CCC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447344 YOQZVTPQVRHIRL-GUBFPNNNSA-N 394.472 -0.106 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1839810392 VBSFSIQWPVOEBZ-WIYYLYMNSA-N 396.447 -0.158 30 20 GBED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1)C(F)(F)F 1839865829 WHFVQOOHWOTWML-OAHLLOKOSA-N 393.362 -0.173 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)c1ccccc1)CCO2 1840902555 FDWVJOCLZPTLDE-IIBYNOLFSA-N 399.447 -0.106 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC3(CCCN3C(=O)c3cc4n(n3)CCNC4=O)C2)c1 1842563868 LRSGWXGMUSZJRK-UHFFFAOYSA-N 393.407 -0.043 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CSCN2C(=O)CCC)CC1 264922005 QAAIILVPJWKSSY-HNNXBMFYSA-N 380.514 -0.028 30 20 GBED COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 274131895 WHHLZBDXXIBORU-GFCCVEGCSA-N 376.387 -0.342 30 20 GBED CC(C)N1CC[C@@H](/N=C(/O)N2CCN(C(=O)CN3CCOCC3)CC2)C1=O 329326858 WYHZJEFWOOYIFC-OAHLLOKOSA-N 381.477 -0.614 30 20 GBED CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)NCC1(C)C 349507478 YGPJVYPOTAYRON-GFCCVEGCSA-N 394.519 -0.520 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 441524733 PBFXPDMAIHMXLB-KBPBESRZSA-N 393.407 0.265 30 20 GBED COCCNC(=O)C1(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 458359542 KANPKIDPVHUJAZ-LBPRGKRZSA-N 394.453 -0.364 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nnnn1CC1CC1 474675812 KOSVXCXJUOTWPM-NSHDSACASA-N 389.441 -0.062 30 20 GBED N#C[C@@]1(NC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCOC1 478664405 YIHMAHGUUJCAIF-BZNIZROVSA-N 378.410 -0.514 30 20 GBED C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 488215691 ILXMCRVVYGRPAO-MRXNPFEDSA-N 380.489 -0.150 30 20 GBED CN1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 498849767 LBPFDYCYYUZJDW-HZPDHXFCSA-N 397.435 -0.488 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)n2)c(F)c1 542068807 VNHLSAMGMWNGID-CYBMUJFWSA-N 386.343 -0.466 30 20 GBED CC(C)(C)C(=O)NCCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 560931862 FACNUGXWZKGSKH-UHFFFAOYSA-N 386.456 -0.120 30 20 GBED CC1(C)CNC(=O)CN1S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 565220378 DVRLLXXTBROFBE-UHFFFAOYSA-N 386.455 -0.612 30 20 GBED CN(C)CCn1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 565921901 JFVWRAUVPIOJIZ-UHFFFAOYSA-N 376.442 0.233 30 20 GBED CCCNC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 572179281 PJGGPGHJVPEQQX-NSHDSACASA-N 388.471 -0.319 30 20 GBED CCNC(=O)N1CC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 582577241 LZRVSNLYYNMOOE-ZDUSSCGKSA-N 379.442 -0.243 30 20 GBED CCN(CCO)CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 594622628 OUOAAEUIORWQRF-UHFFFAOYSA-N 390.487 -0.919 30 20 GBED Cn1cnc2c1c(=O)n(CC(=O)O[C@@H](C(=O)O)c1ccc(C#N)cc1)c(=O)n2C 739057969 OEOMOCJSEFMALE-CQSZACIVSA-N 397.347 -0.326 30 20 GBED C[C@H](CC(=O)NCCCS(N)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 742571388 LCBYSZBEHQCIGO-SNVBAGLBSA-N 388.471 -0.702 30 20 GBED COCCCNC(=O)[C@H](C#N)C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 744024306 RAIPBMWWAGQHLL-DIAXPKBXSA-N 377.397 -0.600 30 20 GBED C[C@H](OC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)Nc1cccc(C#N)c1 748426414 CDQBXDPYYMCLHP-JTQLQIEISA-N 377.382 -0.027 30 20 GBED C=C[C@](C)(CCOC)C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 782443420 KAOJDSYZZDMQQC-IAQYHMDHSA-N 376.431 -0.229 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 784970040 HKOBPNRWANTZGY-OAHLLOKOSA-N 393.415 -0.072 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)[C@@H]1CCCO1 805341695 PEFLMOVEXPINKV-CVEARBPZSA-N 393.465 -0.004 30 20 GBED COc1cc(C(=O)NCC(=O)N[C@@H]2CCCN(O)C2=O)cc(OC)c1OC 816758654 UZNJWWKGXHFINL-LLVKDONJSA-N 381.385 -0.061 30 20 GBED NCc1cc(O)nc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 852871864 CYVIPRNXEOAUNB-UHFFFAOYSA-N 390.425 -0.614 30 20 GBED C#CC1(O)CN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 934446530 JSVKERQTAROMHA-UHFFFAOYSA-N 393.465 -0.996 30 20 GBED C#Cc1cncc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cncn3C)C2)c1 970703878 FNZMLONLIBCHEZ-KONPQCLYSA-N 379.420 -0.098 30 20 GBED C#CCCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1070378453 RBCKCHUMQYAFCY-HPFXQQBRSA-N 390.484 -0.482 30 20 GBED C#CCO[C@H](C)C(=O)N1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 1073604212 AQIMALPSSPVJOT-DDBAPUKQSA-N 375.469 -0.053 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(CC(=O)NC)no1 1110552343 VJGGACJRKJASOW-SYQHCUMBSA-N 375.429 -0.382 30 20 GBED COc1ccc(CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)cc1C#N 1119548299 WUKBNQVYMYVVRP-UHFFFAOYSA-N 380.426 -0.809 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCN(C(COC)COC)CC2)CC1 1120457618 LFMNHHPKOAPZCA-UHFFFAOYSA-N 383.489 -0.278 30 20 GBED CNC(=O)CCCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1257248228 GCUSQZSKVXORGK-UHFFFAOYSA-N 388.428 -0.285 30 20 GBED CC[C@@H](C#N)Oc1cccc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)NC)C2)c1 1258468286 AFOSNFXHSCCEEP-GOEBONIOSA-N 388.424 -0.043 30 20 GBED C=CCOCCNC(=O)C(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1 1261670585 QMEKTUILGKSHSX-UHFFFAOYSA-N 375.491 -0.128 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@@H](C)[C@H](CO)C1 1261770621 XPBZXEQHCRFYEE-ILXRZTDVSA-N 386.456 -0.138 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 1323701993 YGYUOJTUHRHCHS-RYUDHWBXSA-N 380.488 -0.825 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC2CCN(C(=O)OC)CC2)CC1 1323869585 QEXOZNAKQZTIJX-UHFFFAOYSA-N 378.429 -0.679 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)nn1 1326704810 KQTMBRLOGKEHFV-GOSISDBHSA-N 398.467 -0.037 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NC[C@@H](c2cccs2)N2CCOCC2)CCO1 1327284722 RJVKQRNTXVJUOQ-KBPBESRZSA-N 378.454 -0.011 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCN1C(=O)c2ccccc2C1=O 1327807058 ZSGYQILRBRZKEF-UHFFFAOYSA-N 393.421 -0.884 30 20 GBED CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)NCc2cc(C#N)ccc2F)C1 1333951427 YAOWWFJGKXNAPC-GFCCVEGCSA-N 382.417 -0.289 30 20 GBED C=C(C)COCCn1nnnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1337278448 JWYGRVDLWIACLD-UHFFFAOYSA-N 377.449 -0.463 30 20 GBED N#Cc1cccc(OC2CCN(C(=O)C(=O)NCCN3C(=O)CNC3=O)CC2)c1 1346340608 ZZTNZWBZRAWTHD-UHFFFAOYSA-N 399.407 -0.404 30 20 GBED C#CCNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1ccc(-c2cnn[nH]2)nc1 1575005047 STXXWTRAWKDURN-CYBMUJFWSA-N 385.428 -0.971 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1CNC(=O)CC(=O)NCc1cnn[nH]1 1575013114 LTWQCIRSWDAZKJ-HIFRSBDPSA-N 390.444 -0.653 30 20 GBED C=CCn1cc(C(=O)N2C[C@H](C)[C@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)C2)nn1 1588711333 OPXIOSRDYKJUGY-WDEREUQCSA-N 381.404 -0.571 30 20 GBED C=CCOC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)O 1588851133 VYDIKVBXAYPZGV-PWSUYJOCSA-N 388.446 -0.524 30 20 GBED COc1ccc(CN2CC(O)(CNC(=O)C#CC3CC3)C2)cc1-c1nn[nH]n1 1591588342 FFCNLRVWKPGDMS-UHFFFAOYSA-N 382.424 -0.048 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@]3(CC(C(=O)O)=NO3)C2)cc1 1601111719 MDBLBSFZRNFWPS-INIZCTEOSA-N 392.393 -0.331 30 20 GBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC[C@@H]1C 1602722544 XJWCMTAPSQBJOE-GXTWGEPZSA-N 384.444 -0.368 30 20 GBED COc1ccc(N2C[C@@H](C(=O)NCCn3cc(C#N)c(O)nc3=O)CC2=O)cc1 1641967754 JGRXMKWHNUJYOP-LBPRGKRZSA-N 397.391 -0.002 30 20 GBED CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1778951495 VFUKOYPATRJXCS-AUUYWEPGSA-N 376.457 -0.063 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)c1 1780599984 JMSIUTCICGVDEW-UZLBHIALSA-N 399.451 -0.405 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1781253036 VNDOIXSBRNOXQJ-RDTXWAMCSA-N 381.429 -0.540 30 20 GBED CCOc1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cn1 1783558550 ZNXZMUDGDZJRDB-GOSISDBHSA-N 388.380 -0.593 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cncn3)C[C@@H]21 1784481947 ZREUWIOUIQOYLZ-XAJHFOFHSA-N 389.456 -0.143 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C=CCN3)[C@H]2C1 1787400820 ZTNOHZMNQGJJGQ-FWWYNNPBSA-N 388.468 -0.648 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@](C)(O)CC(=O)O)C[C@@H]21 1791266944 MUYCAIOHGMQZTP-VIMZNKNYSA-N 388.486 -0.100 30 20 GBED NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797839409 CJWUVKGHXHZLOU-NBPXQOPSSA-N 376.413 -0.446 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)C1 1806003660 WQPNENNUJHHJGO-CVEARBPZSA-N 392.500 -0.151 30 20 GBED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1830708915 PYPWYLUVSZNZRI-CLCXKQKWSA-N 393.440 -0.054 30 20 GBED CC(=O)N(C)CCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831207944 BXXGPNAMTIOFHP-HXUWFJFHSA-N 391.468 -0.275 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1833161990 DRLUZVLEQMWRGX-FQEVSTJZSA-N 384.436 -0.111 30 20 GBED O=C(NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1)C(O)O 1833221008 JRUSTYFNOPDLLZ-UDWIEESQSA-N 392.456 -0.419 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833840483 WSYHLGDVDJWYGX-RDTXWAMCSA-N 393.444 -0.524 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834391338 VPQZZXICGQIGQJ-DNVCBOLYSA-N 390.440 -0.472 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](COC)NC(C)=O)CCO2 1837735582 SIEKOXLYOQCQPQ-VQIMIIECSA-N 395.456 -0.993 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839719508 AEEISSYHNCZSMV-DNVCBOLYSA-N 390.440 -0.553 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839785702 ZTYWSRGGVXZTCP-PBHICJAKSA-N 386.470 -0.404 30 20 GBED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)n1cccc1 1840355108 QTAHJVASEGCGKG-BEFAXECRSA-N 389.408 -0.407 30 20 GBED C#CCCN1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 68445243 BPGMDJVUPJNEIT-CQSZACIVSA-N 380.470 -0.681 30 20 GBED C=C(C)C/N=C(/NCC(=O)N(C)C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 262349446 YNQAALAOKSALSE-GOSISDBHSA-N 378.477 -0.094 30 20 GBED CS(=O)(=O)N(CC(=O)O)C[C@H]1CN(C(=O)c2cccc(C#N)c2)CCO1 262561341 WKTLOXLAWKDVDI-CQSZACIVSA-N 381.410 -0.255 30 20 GBED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)CC1 267592904 UTTFLJRKLNWXLQ-UHFFFAOYSA-N 387.440 -0.288 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)ccc2S(N)(=O)=O)CC1 270572904 HPEBIVOZKRIPFV-UHFFFAOYSA-N 392.481 -0.460 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)c1cc[nH]n1 286004143 SFRLNNQPBAIEQV-RWALOSNPSA-N 384.433 -0.032 30 20 GBED CCS(=O)(=O)NC1CCN(/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)CC1 328773939 DUVSVIQRJVEWNK-CYBMUJFWSA-N 396.535 -0.272 30 20 GBED CC(=O)N1CCN(C(=O)CC/N=C(/O)NCCN2CCOC(C)(C)C2)CC1 329286308 MBKITHNRBVRKEZ-UHFFFAOYSA-N 383.493 -0.318 30 20 GBED COc1cncc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)n1 348443546 CLBZMKPRUSPUOL-UHFFFAOYSA-N 389.459 -0.208 30 20 GBED C[C@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)N1CCCn2nccc21 349569339 BBLOHVKLJLYDJX-GFCCVEGCSA-N 375.476 -0.108 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)CCO1 409490115 DUUDRCLDQFLMDG-CABCVRRESA-N 379.442 -0.369 30 20 GBED CNC(=O)[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C(C)C 427765070 XIBMOMKPTISTRO-AWEZNQCLSA-N 383.412 0.023 30 20 GBED CC[C@@H](C)[C@H](NC(=O)c1cnn(C)c1C#N)C(=O)NCCN1CCOCC1 475921755 RVXZKKREWWNXRX-CJNGLKHVSA-N 376.461 -0.115 30 20 GBED C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(C#N)cn2)CC1 502664465 GNLNESNYGHXCGQ-ZFWWWQNUSA-N 377.470 -0.233 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCOC[C@H]3CCOC3)CC2)nc1 588107820 FLRPMDKVHIWGAA-INIZCTEOSA-N 387.440 -0.229 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CC(N)=O 608911324 AZHCXRJXWVAMSV-UHFFFAOYSA-N 386.408 -0.661 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(CCOCCOC)CC2)CC1 653392651 IAYCHLDGDYEROW-UHFFFAOYSA-N 396.532 -0.050 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)Nc2cccc(C(=O)N(C)C)c2)CC1 728571033 ULUHWTMXQUSQCP-UHFFFAOYSA-N 385.468 -0.306 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)N2CCCC[C@@H]2C(=O)OCC)CC1 728573736 TXHBHNIYIZYWHX-MRXNPFEDSA-N 378.473 -0.702 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2c(C)oc3ncn(C)c(=O)c23)CC1 729281601 JKJDSSYQXBQTJY-UHFFFAOYSA-N 385.424 -0.268 30 20 GBED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)C(=O)O 736428847 WDCHURJSOLHVER-RYUDHWBXSA-N 383.426 -0.299 30 20 GBED N#Cc1cccc(OCCOC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)c1 762916664 QCCNOYRASBOEON-UHFFFAOYSA-N 392.393 -0.114 30 20 GBED CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767635146 GKIUVZZZYOSMCE-VHSXEESVSA-N 382.398 -0.388 30 20 GBED Cn1cc(S(=O)(=O)NN=C2C(=O)Nc3cccc(Cl)c32)c(=O)n(C)c1=O 771892914 WCDSNIXKUCHMFS-UHFFFAOYSA-N 397.800 -0.628 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c1 774835105 FJZXYQAMMDBRDA-HOCLYGCPSA-N 393.465 -0.036 30 20 GBED C=C[C@H](O)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H](O)C=C 829694450 OISHJXWFERWONU-IHRRRGAJSA-N 383.445 -0.356 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)/C(=C/c2cccs2)NC(C)=O)CC1 831579507 FWEYYDTZISIWDJ-QINSGFPZSA-N 396.494 -0.163 30 20 GBED C#C[C@H](NC(=O)C(=O)NC[C@@H](N1CCNCC1)C(F)(F)F)[C@@H]1CCCO1 842164545 WTVCQGVMUQULTC-RWMBFGLXSA-N 376.379 -0.764 30 20 GBED CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 845944863 UEKXZRAJVVSKJI-VXGBXAGGSA-N 389.478 -0.400 30 20 GBED C#CCOCCNS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 848930876 ZVKVVTHRASSCHQ-UHFFFAOYSA-N 396.450 -0.347 30 20 GBED CCS(=O)(=O)N1CCC(CN/C(=N/C)NCCN2CCOCC2)CC1 849082076 UERIXHKEGPQYSM-UHFFFAOYSA-N 375.539 -0.455 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CC1 892269632 CUYVQCSXMSFISZ-HOTGVXAUSA-N 385.534 -0.098 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3OCC[C@H]3CC)C[C@H]2O)CC1 1024131055 UVDNZLRNTYIYHQ-DDBAPUKQSA-N 377.485 -0.165 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nccn1 1109340452 OUHWAXMZFRAAMQ-MQYQWHSLSA-N 375.433 -0.600 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H]1CCCS(=O)(=O)C1 1110465766 RUTLUFXMFFOTHY-JJXSEGSLSA-N 381.498 -0.328 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ncn(C)n1 1110526333 DIGOQUCQBIEARD-LOWDOPEQSA-N 375.433 -0.450 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc(-n2cnnn2)cc1 1111364906 PMJHFWZDIYYOJM-ZACQAIPSSA-N 379.424 -0.253 30 20 GBED CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccc(CC#N)cc2)CC1 1116190204 LJFSRHRPPHYNQO-UHFFFAOYSA-N 386.499 -0.392 30 20 GBED CN(C[C@@H](O)COCc1ccccc1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118184389 DHTXTLSXWOBSLR-APWZRJJASA-N 375.425 -0.100 30 20 GBED N#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@@H]1n1ccnn1 1129939274 ATFOYPGQDOQDAU-KSXIZUIISA-N 387.444 -0.926 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1nc([C@H]2CCO[C@H]2CNCCO)n[nH]1 1130242473 YWMGLWCHIUVXFE-YXWQFLTLSA-N 379.461 -0.144 30 20 GBED C[C@H](NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1ncn(C)n1 1323788755 ICADVYIYXFMJCQ-RYUDHWBXSA-N 383.416 -0.609 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCCN)C1 1331468704 CMOOMTDLAFNLSR-MRXNPFEDSA-N 386.452 -0.372 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)nn1 1332046068 WJKMVFXUPRRMDG-AWEZNQCLSA-N 376.461 -0.208 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1337880564 KDTJHECJBZUBOA-LLVKDONJSA-N 382.467 -0.428 30 20 GBED C#C[C@@H](NC(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O)c1ccc(F)cc1 1588329579 JSHYQACWULDCNA-CYBMUJFWSA-N 398.358 -0.058 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCO[C@@H](CN=c2cc[nH]cc2-c2nn[nH]n2)C1 1588355733 LWFLVFTZARCQRR-KGLIPLIRSA-N 385.428 -0.249 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCO)CCNc1ccc(-c2nn[nH]n2)nn1 1588436164 KWJXIEQLWOBYOP-WFASDCNBSA-N 388.432 -0.129 30 20 GBED N#CCSCC(=O)NC1(CO)CCN(c2nccnc2-c2nn[nH]n2)CC1 1592679401 PKPQTXKPSRPUET-UHFFFAOYSA-N 389.445 -0.639 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@H](O)CNc1nc(C)ccc1-c1nn[nH]n1 1602721347 FRBPPDRTFCQEAP-HIFRSBDPSA-N 384.444 -0.443 30 20 GBED C=CCOCCCC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 1602870599 KMYMLPYZTQDKDI-ZDUSSCGKSA-N 388.432 -0.039 30 20 GBED C=CCOCCCC(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1OC 1602870764 LXXRHLGGGFZEAG-ZIAGYGMSSA-N 388.432 -0.041 30 20 GBED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)n1cnnn1 1780337456 FOHFUAQAVSGXGF-PXAZEXFGSA-N 384.400 -0.422 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1781400378 LJJVLBWRXCBZRM-RHSMWYFYSA-N 378.433 -0.091 30 20 GBED CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1782644287 SXJOSVDICOCRLO-QGZVFWFLSA-N 379.486 -0.396 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784591178 AGSLDXCLTSOQCV-CKEIUWERSA-N 378.433 -0.345 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786694773 MUWAVTMXXNTGLN-XUXIUFHCSA-N 377.445 -0.283 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(O)C(F)(F)F 1793689500 JRYJHADWWPAVPY-GUYIQFIESA-N 392.374 -0.072 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C 1799371099 ATCIXKQCEJSXBT-SVZOTFJBSA-N 393.484 -0.230 30 20 GBED CCOC(=O)O[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800233817 WEECOXJLSQETSU-MCYUEQNJSA-N 382.369 -0.774 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C2 1800451765 DCFDFDLRZZCZGK-FQLMCAECSA-N 395.456 -0.251 30 20 GBED C[C@@H](Cc1ccncc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800779054 OTSWAENKMWMSQI-AMVTXUCVSA-N 385.420 -0.062 30 20 GBED C[C@H](C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1)n1cnnn1 1813472016 HDOYOFUNIZVAFE-MRRJBJDNSA-N 397.395 -0.577 30 20 GBED N#CC1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC3)CC1 1814468176 LPIREAGIPKSJEW-ZJUUUORDSA-N 390.469 -0.048 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1831493385 RRCZATWKMAKNGL-WMLDXEAASA-N 398.485 -0.727 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1834753834 RHEDYJLUSGVCQO-KRWDZBQOSA-N 382.486 -0.595 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)CC1 1835342805 QVAWCRIAHHPNMZ-SCLBCKFNSA-N 376.413 -0.975 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1840841540 GVIYLSYJSHGUFW-LJQANCHMSA-N 377.441 -0.521 30 20 GBED C#CCNC(=O)COC(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1 19389583 XGYXVBFCRLHXDH-UHFFFAOYSA-N 384.410 -0.335 30 20 GBED COCCN1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 192842097 WZQQTOPUOIPZSU-UHFFFAOYSA-N 376.461 -0.233 30 20 GBED C/N=C(/NCc1ccnc(C)n1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261767439 NQMILJOIJDEPGC-UHFFFAOYSA-N 393.473 -0.004 30 20 GBED CC/N=C(/NCCC(=O)N1CCOCC1)N1CCN(c2cnn(C)c2)C(=O)C1 261868548 ZIKQMODCKPIZLV-UHFFFAOYSA-N 391.476 -0.717 30 20 GBED Cc1cc(C#N)ccc1S(=O)(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 265876179 NKMLFXCGZPQVFU-CYBMUJFWSA-N 385.467 -0.210 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)NCCOCCS(C)(=O)=O)cc1 265991577 QEQBWWHMCIKNCG-UHFFFAOYSA-N 390.483 -0.058 30 20 GBED CN1CCN(C)[C@H](C/N=C(/O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1 329494495 WUWUKKHAMIUIQC-OAHLLOKOSA-N 396.517 -0.452 30 20 GBED CCN(CCC/N=C(/O)NC1CCN(S(C)(=O)=O)CC1)S(C)(=O)=O 330473220 GBPNHNVMWBHPFP-UHFFFAOYSA-N 384.524 -0.414 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[S@](=O)C[C@H](C)C1 349451941 CJXMOVKGARTNBI-IDFMNXDXSA-N 385.533 -0.762 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N[C@H](C#N)C(C)(C)C)C[C@@H]1O 349498027 AGLMTBZUYDNXDG-FRRDWIJNSA-N 381.520 -0.123 30 20 GBED CCN(CCC#N)S(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 410136236 UVQMHBHYADJVQB-ZDUSSCGKSA-N 382.508 -0.455 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)N4C)CC2)c1C#N 410732713 SUGYZDURLIYGEZ-CVEARBPZSA-N 399.499 -0.056 30 20 GBED C=CCN(CCOC)C(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 410913108 VYCKJJUHBSTOBH-UHFFFAOYSA-N 393.444 -0.273 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(C(C)(C)COC)CC2)C1=O 425408313 WYDMXLFBPKXJOW-HNNXBMFYSA-N 380.489 -0.199 30 20 GBED Cc1ccc(C(=O)N2CCn3c(O)nnc3C2)cc1S(=O)(=O)NCC#N 438450087 NLTDPJSRCULKJR-UHFFFAOYSA-N 376.398 -0.250 30 20 GBED CCn1c(N)c(C(=O)CN2CCN(c3nccnc3C#N)C[C@@H]2C)c(O)nc1=O 438515958 QHLQPNUGAGSGFH-NSHDSACASA-N 398.427 -0.394 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)NCc1ccc(C#N)cc1 444611951 RCRNABAJNDLEKF-INIZCTEOSA-N 388.424 -0.445 30 20 GBED CN(CC(=O)NCC1(C(N)=O)CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 515422207 IUDZREQGRYZEEI-UHFFFAOYSA-N 394.453 -0.423 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCn3cncc3C2)cc1 565216640 GCSYLMSUSMPMEO-UHFFFAOYSA-N 381.439 -0.111 30 20 GBED CC(C)(C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCOCCO)cc1 568252403 QWVVWYCGSCAFSR-UHFFFAOYSA-N 391.471 -0.446 30 20 GBED CN(C)C(=O)COC1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 575373560 WEMFZRTZEBGHOM-UHFFFAOYSA-N 380.426 -0.848 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2nc(SCCO)n[nH]2)c1 581757013 NGEMVSYLWRWZNV-UHFFFAOYSA-N 382.427 -0.322 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)Nc1ccn(C)n1 597573132 ZOWHQYSSQOGDQC-LLVKDONJSA-N 390.425 -0.287 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCN2C(=O)COc3ccccc32)CC1 728534531 LZKZZQNVFSIROQ-UHFFFAOYSA-N 384.436 -0.304 30 20 GBED C[C@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(CN2CCO[C@H](C#N)C2)C1=O 736222611 IWCAWECPHVZVLU-CXAGYDPISA-N 382.384 -0.184 30 20 GBED CCS(=O)(=O)NCCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758355627 YJKLXOYRXHNNAT-NEPJUHHUSA-N 389.478 -0.016 30 20 GBED CC(C)(C)OC(=O)N1CCN(CC(=O)NS(=O)(=O)CCCC#N)C(=O)C1 776122408 QNVOJXZTKZFTTC-UHFFFAOYSA-N 388.446 -0.185 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CC(C)(C)O)C[C@@H]2C)c1=O 780481199 UTWIFKZFYWSPLI-HNNXBMFYSA-N 393.488 -0.722 30 20 GBED C=CCS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 783542826 XRWDDVTULHNMLA-UHFFFAOYSA-N 392.455 -0.369 30 20 GBED Cc1ccccc1-n1nccc1C=c1sc(=C(C#N)C#N)n(CC(N)=O)c1=O 794623713 OUCDOZHUZJAWFM-UHFFFAOYSA-N 390.428 -0.084 30 20 GBED C#CCNC(=O)COC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797515069 LIKDUKVYFBPRFK-KRWDZBQOSA-N 380.422 -0.266 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(C)c2)CC1 872515534 PNTKUWTYCTXAAG-UHFFFAOYSA-N 387.483 -0.222 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(CCC)n2)C[C@@H]1O 970707029 NOEWZWUONQPCCQ-OJLVUWQFSA-N 390.440 -0.454 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1ncn(C)c1=O 1006390672 YONROTQCRCMDMR-SUJAAXHWSA-N 389.456 -0.189 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 1023830089 SDTDRXPZNCIDDP-FPCVCCKLSA-N 388.424 -0.537 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CCN(CC(=O)N3CCNC(=O)C3)[C@H]2C1 1085037617 RNYQSWCDBWJMDX-NCOADZHNSA-N 390.484 -0.541 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1108484570 JNRQGPCEWJVSFE-XUWVNRHRSA-N 381.498 -0.356 30 20 GBED C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@H](C)C(=O)NC(N)=O)CC1 1110152046 HHCRQSMTLGEXPF-OJLVUWQFSA-N 375.473 -0.364 30 20 GBED CCc1nn(CC(=O)NCCCN(C)S(C)(=O)=O)c(=O)c(C#N)c1CC 1116023235 FUVUUVZHLHINIH-UHFFFAOYSA-N 383.474 -0.363 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 1116084333 JHKCQDIDJSHKPJ-BMRADRMJSA-N 390.421 -0.223 30 20 GBED Cc1cc(N2CC[C@H](NC(=O)C(=O)Nc3ccn(CCC#N)n3)C2=O)n(C)n1 1116236696 GUCVLLGNAZAXBD-LBPRGKRZSA-N 384.400 -0.301 30 20 GBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C[C@@H]1n1ccnn1 1129937915 KNKISUINYTWQMW-CBZIJGRNSA-N 388.472 -0.263 30 20 GBED CCN(CCC#N)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1C 1214950656 VXOYTXUSZMCTJN-QBPKDAKJSA-N 379.505 -0.096 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 1254239232 XHMGHSDATYASES-UHFFFAOYSA-N 394.453 -0.722 30 20 GBED CN(CCCN1CCCC1)C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1258384052 SAVIMRMMTWHUNI-FOCLMDBBSA-N 377.445 -0.427 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1 1261461209 CZVXIXNEILBOMA-LJQANCHMSA-N 386.408 -0.025 30 20 GBED NC(=O)CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 1303125448 NRKMNJDNJPCIDU-UHFFFAOYSA-N 380.426 -0.782 30 20 GBED C=CC[C@@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)OCC 1320420417 ORTOPXOJUFJKJX-DGCLKSJQSA-N 385.442 -0.224 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCS(=O)(=O)C1 1320709970 RGKASFRJGFQXFF-DGCLKSJQSA-N 385.467 -0.224 30 20 GBED C#CCSCCNC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 1323027183 OCRFLLMIUHETQL-UHFFFAOYSA-N 383.495 -0.295 30 20 GBED C=CCn1cc(CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)nn1 1327997473 SPEOJIJNJQUAKB-LBPRGKRZSA-N 380.430 -0.754 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCC(CC#N)CC2)CC1 1329346026 SLAACGWOPASWBW-UHFFFAOYSA-N 399.517 -0.131 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 1330837036 XFJGCVVITZDUQR-UHFFFAOYSA-N 395.481 -0.112 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCNC(=O)c2cccs2)C1=O 1344932727 XSXHDCXUYJUXFP-GFCCVEGCSA-N 378.454 -0.161 30 20 GBED CN1C(=O)NCC12CCN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CC2 1345629002 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NFBWVOXKWPNSMP-INIZCTEOSA-N 396.346 -0.150 30 20 GBED N#CCNC(=O)CNC(=O)NC1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 1606350106 PZMHDHUPJISLRX-UHFFFAOYSA-N 399.415 -0.109 30 20 GBED Cn1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)n1 1767531943 IPLNFOGJEWDFKU-UHFFFAOYSA-N 378.400 -0.285 30 20 GBED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1783887942 YARGWLNSWGPBQU-DIFFPNOSSA-N 378.454 -0.058 30 20 GBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2 1783915320 ACPSUPLVBZLZCL-MAUKXSAKSA-N 382.413 -0.113 30 20 GBED C=CC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)C[C@@H]21 1790830419 OWXHCBXEDBXWTA-NLEPDTAZSA-N 395.500 -0.171 30 20 GBED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1792172173 MURKQFNWVMWUGU-IHRRRGAJSA-N 387.373 -0.896 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(N)s1)C2 1793342825 UNSZDXOZRUQRNU-NRWUCQMLSA-N 378.454 -0.033 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 1795284409 JEYXESZYSVTZAG-FQLMCAECSA-N 391.472 -0.864 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H](O)CCN1Cc1ccccc1 1800299177 ICMHDYOGVVJYJQ-LBFCPWMRSA-N 397.475 -0.155 30 20 GBED C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2)n1ccnn1 1824693654 WJWZOXWTOPTFAW-UWVGGRQHSA-N 388.409 -0.004 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)OC)C3)C2)C1 1829674017 ZTJZBFFBBBVCPJ-GOSISDBHSA-N 381.429 -0.235 30 20 GBED CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831209179 SXWHQEONULRUEP-GOSISDBHSA-N 398.481 -0.709 30 20 GBED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cn1 1834532295 LTKJLSUUHWQXFK-SJKOYZFVSA-N 396.469 -0.127 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C)CCO2)C1 1834943924 FQVSMEXACFHXOA-IBGZPJMESA-N 397.472 -0.486 30 20 GBED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)nn1C 1838273577 OACIMHMMEUZMBM-SFHVURJKSA-N 375.429 -0.034 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncon4)C3)C2)c1 1838738207 WZKWOSQZIADVEX-QGZVFWFLSA-N 386.368 -0.347 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2 1839159513 ZMBULWQEXZGHQS-YOEHRIQHSA-N 385.486 -0.504 30 20 GBED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1839649108 YGNDWBIGGSBYNC-WZSOIAESSA-N 385.486 -0.199 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1839808517 SQNLUTSCHMOENC-AWEZNQCLSA-N 378.303 -0.819 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840318814 BWRRHIYGPYXFSE-KBXCAEBGSA-N 399.444 -0.610 30 20 GBED Cc1cn(CC(=O)N2CC3(CCCN3C(=O)c3cc(C#N)c[nH]3)C2)c(=O)nc1O 1844797565 QLDKFUCROBGWKN-UHFFFAOYSA-N 396.407 -0.026 30 20 GBED CCS(=O)(=O)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 52050977 IDHMXICDFZZVNA-UHFFFAOYSA-N 399.494 -0.033 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCOC 254928018 OHRFAHSDTCXCMA-UHFFFAOYSA-N 387.461 -0.178 30 20 GBED N#Cc1ccccc1OCC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 267031609 ALUDGJLEZLAGJJ-CABCVRRESA-N 379.438 -0.761 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)cc1 270942071 XIWCCBBNSAYFPU-CYBMUJFWSA-N 388.424 -0.408 30 20 GBED N#Cc1ccc(CCC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 331995272 ZXHSQZMKEPFLCA-SJORKVTESA-N 377.466 -0.207 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)[C@H](C)[C@@H]1C 349462674 LHAZKABQHBJJAI-RDBSUJKOSA-N 380.536 -0.048 30 20 GBED C[C@H]1CC(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)C1CC1 349497840 BZSSTTQWKCKZHX-LBPRGKRZSA-N 392.503 -0.766 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCCS(=O)(=O)N1CCOC1 349602719 QRINPZOMQYECMQ-GFCCVEGCSA-N 383.517 -0.343 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCCN(C(=O)c3cccc(N)c3)CC2)CCO1 409498796 FUIVDSYXFQICIK-INIZCTEOSA-N 393.469 -0.114 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CCO1 410131990 SKIAFAADGRMJHP-SJORKVTESA-N 380.470 -0.536 30 20 GBED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N[C@@H](CO)CN2CCOCC2)c1 425288599 BSUTXFKNCCUHQR-QZTJIDSGSA-N 386.452 -0.141 30 20 GBED C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 427722228 SMVAWPWEAJYXCF-AWEZNQCLSA-N 375.429 0.248 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cn(CC(=O)O)nn2)cc1 439709316 QIJBBIFDGMNLRX-UHFFFAOYSA-N 379.398 -0.243 30 20 GBED CNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 460617635 IGFBRBZHUAWEJO-CQSZACIVSA-N 395.423 0.371 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)C2=O)cc1 488265738 NNGUITGZILTZIC-GJZGRUSLSA-N 396.407 -0.395 30 20 GBED C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NCC(=O)NCC#N)CC2)C1 511916311 LVWAOAWFBXNEHP-HUUCEWRRSA-N 378.477 -0.542 30 20 GBED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCCS(N)(=O)=O)n1 513177325 JIWMXESJFVGFNW-UHFFFAOYSA-N 394.388 -0.384 30 20 GBED CN(CCC#N)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C 591333262 UMPJKPGRFVZXBE-LLVKDONJSA-N 381.476 -0.483 30 20 GBED CCOC(=O)C[C@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 597675109 DDDBJYVOXOAQFM-DGCLKSJQSA-N 383.426 -0.345 30 20 GBED Cc1cc(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC#CCO)c(C)c1 655058141 YFFYUPVJHJGPSZ-CVEARBPZSA-N 380.466 -0.152 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 761032699 LQJOVZLXHGOQGX-INIZCTEOSA-N 376.438 -0.142 30 20 GBED CS(=O)(=O)N1CCN(CC(=O)[C@H](C#N)c2nnc3n2CCCCC3)CC1 778612703 ZXOAJMSCTIAXAU-ZDUSSCGKSA-N 380.474 -0.242 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1cccc(S(=O)(=O)NC)c1)[C@H]1CCCO1 787852739 SLGRMPKFMABWFK-LSDHHAIUSA-N 379.438 -0.492 30 20 GBED N#CC1(CS(=O)(=O)NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 793196110 RYTJSEQVIRBZPO-FPQZTECRSA-N 381.410 -0.711 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H](C#N)C1CC1 820445600 QZBIHSZWCIQIBW-RNCFNFMXSA-N 375.414 -0.048 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](CC(=O)O)C1 827759919 CSDPZYZYYPRUQG-AAEUAGOBSA-N 381.410 -0.073 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ncc(Br)cn2)CC1 828749813 JZCHPINKRARNFS-UHFFFAOYSA-N 388.247 -0.536 30 20 GBED CCn1ncc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)n1 842062636 IRIVDFPEFCKWQR-UHFFFAOYSA-N 377.382 -0.126 30 20 GBED C/N=C(/NCCN1CCOCC1)NCC1(N2CCOCC2)CCN(C)CC1 849116937 VPUOHSXCMIRYFJ-UHFFFAOYSA-N 382.553 -0.720 30 20 GBED CC(C)COC(=O)N1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 867429165 WENIPZOQZDCGSJ-UHFFFAOYSA-N 379.461 -0.019 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 872515224 JBCLXPBNJNXSKZ-UHFFFAOYSA-N 379.410 -0.261 30 20 GBED COCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 916890897 NFQWUEIWLNUFCG-LLVKDONJSA-N 376.325 -0.208 30 20 GBED COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1 917052794 PELRQMQVJLJKKJ-GXTWGEPZSA-N 397.391 -0.125 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](C)C1 940214860 JVGJRKSBEKBXKH-OEUWWYETSA-N 392.456 -0.127 30 20 GBED C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2n2ccnn2)C1 990881694 YTRUBGDRRZMGAK-MIGQKNRLSA-N 384.440 -0.526 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1C 994646127 FKHAPJPUUKMWCY-SYQHCUMBSA-N 387.440 -0.009 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2c(C)cc(C)nc2=O)C[C@H]1O 1025710545 UURFWJOEARFRNN-FPCVCCKLSA-N 390.440 -0.861 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CS(=O)(=O)N(C)C)n1 1093002317 AYMAGPVYNXAQEN-MCIONIFRSA-N 378.458 -0.226 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1COCCN1C 1110451338 YEJGPENWTHIESP-WCXIOVBPSA-N 377.489 -0.199 30 20 GBED COC(=O)CNC(=O)CNS(=O)(=O)c1ccc(Br)c(C#N)c1 1189709715 MRNITOTZTMMNLE-UHFFFAOYSA-N 390.215 -0.112 30 20 GBED C=CCNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H]1C(=O)N(C)C 1228618691 PODPXZFFBZTWKE-GBJTYRQASA-N 393.488 -0.261 30 20 GBED Cn1nc2c(cc1=O)CN(C(=O)C(=O)NCc1cccc(OCC#N)c1)CC2 1258468731 IQTZLLWPTAVIRM-UHFFFAOYSA-N 381.392 -0.116 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCc1nnc2n1CCC2 1321631634 DWXNRXWRRSNMES-GFCCVEGCSA-N 395.427 -0.761 30 20 GBED N#Cc1ncn(CCNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)n1 1323523855 XEZNQXKNTVIPPF-UHFFFAOYSA-N 389.441 -0.238 30 20 GBED CS(=O)(=O)C1(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 1323951959 VDHKGFYHECIARE-UHFFFAOYSA-N 391.453 -0.705 30 20 GBED C[C@H](NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1ncnn1C 1324529973 RPOOZQZUBTZAQV-NEPJUHHUSA-N 383.416 -0.609 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nn1 1325946540 GPBIQVASOLGTOA-SNVBAGLBSA-N 388.350 -0.393 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1330430884 RVWOMCRYKAQTDN-OAHLLOKOSA-N 380.445 -0.873 30 20 GBED C[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC2(CCOCC2)O1 1332035824 AXDLHVSCTIDWHI-HOCLYGCPSA-N 376.457 -0.018 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2Cc2cc(C)cs2)CC1 1334542421 MHQUHCBMDCQOJU-UHFFFAOYSA-N 381.487 -0.319 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CCc2nc(-c3ncccn3)no2)CC1 1338977878 WAYLUESUUGCMSH-UHFFFAOYSA-N 397.439 -0.257 30 20 GBED C#Cc1cccc(NC(=O)CN2C[C@H](O)[C@H](NC(=O)CCCc3cnn[nH]3)C2)c1 1575032624 GYWMJRGGGSKNKH-MSOLQXFVSA-N 396.451 -0.091 30 20 GBED C#CCCN1CCN(c2ccc(-c3nn[nH]n3)cc2CS(N)(=O)=O)CC1 1588347348 QHGYJXFFFDLJKE-UHFFFAOYSA-N 375.458 -0.200 30 20 GBED C=CCCOCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 1588610626 IUPHAJIHKXUUGN-GXTWGEPZSA-N 389.416 -0.521 30 20 GBED COC(=O)[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc(C#N)cc1C(=O)O 1598818364 JZOUOUBJMZFLNN-NSHDSACASA-N 381.366 -0.739 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1602867147 XAFANWYXUWSAPX-APPDUMDISA-N 389.416 -0.521 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@H](C(=O)O)C3)C2=O)cc1 1610627585 CBOXBNYZMBRYCZ-GJZGRUSLSA-N 384.392 -0.292 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](CO)[C@H]3CCCOC3)CC2)o1 1654729712 KFHCKVCRZHAIIN-GOEBONIOSA-N 377.445 -0.120 30 20 GBED N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCOC2)CCO1 1712882600 DSOLEWYCDBEPNQ-SCLBCKFNSA-N 399.411 -0.194 30 20 GBED C=CCn1cc(CNS(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)nn1 1776191333 GKMXNASBPWJQAA-UHFFFAOYSA-N 379.398 -0.243 30 20 GBED C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1793371611 PVGYMAFEVPKLEB-NJMOYASZSA-N 378.516 -0.425 30 20 GBED NC(=O)[C@H](N)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/N1CCCCC1 1798429846 BSZLDFLBDODSFR-JMSRGLQDSA-N 392.504 -0.311 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1Cc3ccccc3O1)C2 1800778262 JXCDQSVOJWXJED-QHHYFVSCSA-N 384.388 -0.332 30 20 GBED CN(CC(=O)N1CC[C@@H](CNC(=O)CC#N)[C@@H]1c1cccnc1)C(=O)C(=O)O 1806289538 PJQWJTWPFLQAMU-BBRMVZONSA-N 387.396 -0.456 30 20 GBED COCCOCC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1806761114 COYWDGNLFQFWEP-BEFAXECRSA-N 389.408 -0.162 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cc(O)n[nH]2)[C@H]1c1cccnc1 1807290537 WLBHMMYYTQKDNU-YVEFUNNKSA-N 383.364 -0.082 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CNC(=O)C1)CC2 1825671842 QFCHPGMRVDQYNB-IUCAKERBSA-N 376.394 -0.721 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)CCn3cncn3)sc2C1 1826610827 LOYNMUIOFOGJRH-SNVBAGLBSA-N 388.409 -0.175 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1831392998 SHBUKVBZIZRTJG-JEWRLFTDSA-N 380.441 -0.748 30 20 GBED C[C@@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838739333 PZCPQKZBLOJFKQ-FZKQIMNGSA-N 389.412 -0.909 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(F)c3)C2)C1 1840041629 YQJGLXUYSXOOJT-GOSISDBHSA-N 391.355 -0.621 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1840169972 KVJPMQVUNDWDID-OXJNMPFZSA-N 391.468 -0.133 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1840170396 CICZZACDPOBNEJ-UZLBHIALSA-N 391.468 -0.228 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840232925 KHHQKRJIQANNAG-OXQOHEQNSA-N 391.468 -0.228 30 20 GBED C#CCCCC(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1846372737 QFOQFEPVIXWVTO-UHFFFAOYSA-N 381.498 -0.276 30 20 GBED COC(=O)CN(CC(=O)OC)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 67276533 JYXVJLLKJHWKJF-UHFFFAOYSA-N 397.409 -0.415 30 20 GBED C#CCCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 266181413 YPAIJCBHVIUERA-CQSZACIVSA-N 381.502 -0.129 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2csc(C(=O)OC)c2)CC1 267067703 QIPKJVLBRRJIFS-UHFFFAOYSA-N 399.494 -0.020 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CCC(=O)OC)C(=O)OC)c1 276875935 OLRVNCJENLZFDK-CQSZACIVSA-N 396.421 -0.177 30 20 GBED COC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cn1c(=O)c(C#N)cn(C)c1=O 294926741 JSUPXVCBZNZHJU-OAHLLOKOSA-N 382.376 -0.455 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C2CC2)C1 349450477 AKGDNFDJTRBOOX-LLVKDONJSA-N 378.476 -0.856 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nn(C)cc2C#N)C[C@@H]1O 349523788 MLPYONMDFDCZBB-PWSUYJOCSA-N 391.475 -0.934 30 20 GBED CC(C)(C)c1nc(CN2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)no1 409497035 COPPUSLAFYZXCJ-ZDUSSCGKSA-N 398.489 -0.046 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@H](O)COCC1CC1 460579046 TUKRYWJRHBILBL-OAHLLOKOSA-N 398.423 0.290 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)cc1 514551437 BXJJEKAQYYBCBY-CQSZACIVSA-N 398.485 -0.530 30 20 GBED CC1=NNC(=O)[C@H]1CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 532494546 KZFSHKCGERPUHF-FZMZJTMJSA-N 377.426 -0.147 30 20 GBED N#C[C@H]1CSCCN1C(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 537128038 QQEREEYZUAOBCR-VIFPVBQESA-N 382.423 -0.291 30 20 GBED CC(=O)N1CCC(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 567071243 ZQZBTHDOHWLRLV-UHFFFAOYSA-N 398.467 -0.023 30 20 GBED CN1CCN(C(=O)C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1=O 593934774 YZZUTFVPFAJESH-UHFFFAOYSA-N 383.452 -0.061 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3ccc(S(N)(=O)=O)cc32)C1=O 605517333 OBYYLVHGWLJETJ-UHFFFAOYSA-N 392.393 -0.800 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CCO1 609282764 NMWJDNJMUKIDSR-ZDUSSCGKSA-N 378.410 -0.183 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)c1 617871158 DWPFGNVADNWOFZ-ZIAGYGMSSA-N 388.467 -0.307 30 20 GBED Cc1nc(SCC(=O)NCC#CCNC(=O)CSc2n[nH]c(C)n2)n[nH]1 681339456 NEPKVWRQXYNWNS-UHFFFAOYSA-N 394.486 -0.340 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCS(=O)(=O)NCC1CCC1 732463259 LXFVGAGRCAUQEU-PFONDFGASA-N 399.473 -0.469 30 20 GBED COc1cc(C#N)ccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 766248497 LNNNPXJVOSOTFP-UHFFFAOYSA-N 396.425 -0.716 30 20 GBED C#C[C@H](NCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)[C@H]1CCCO1 775788700 IXHMGRJLJWCXLA-JKSUJKDBSA-N 383.456 -0.218 30 20 GBED CN1CCC[C@@H](N2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)C1 787757466 SXHJHYFQLBGASI-QGZVFWFLSA-N 399.499 -0.280 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1 808159844 KWWYPVLJACIUTA-HOTGVXAUSA-N 377.466 -0.121 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)c1 833364507 STQOWNGFMSKSJE-AWEZNQCLSA-N 376.394 -0.253 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C)cc1 848942357 IYTSBWDKBGVELR-ZIAGYGMSSA-N 397.478 -0.022 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H](N4CCOC4=O)C3)CC2)nc1 850607945 WBQKKWBTSKJAPS-HNNXBMFYSA-N 398.423 -0.345 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cnc(CC)s2)CC1 872515212 IOQLXLLVJKBOTM-UHFFFAOYSA-N 378.501 -0.521 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2coc(C(N)=O)c2)[C@H](OC)C1 943436458 IZYNNHONKOCREL-GUIRCDHDSA-N 377.397 -0.075 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 994076134 PJZLTIMYZQULKB-AIANPOQGSA-N 391.472 -0.226 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1109447586 VNODYZPVJMSETD-NUNXZZDCSA-N 389.374 -0.196 30 20 GBED C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]3CCC[C@]3(CNCC(=O)NCC#N)C2)O1 1112423719 GWODKLYLHVKHIC-OLMMMNRUSA-N 377.489 -0.436 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H]2C(NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)[C@H]2C1 1114587243 JGCNXSRAIPLAPS-GGOFEBJYSA-N 376.457 -0.140 30 20 GBED C=CCN(C(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1)[C@@H](C)COC 1118467102 CKRYLKDCMSNCEP-AWEZNQCLSA-N 395.460 -0.090 30 20 GBED C#CCCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)n1 1130235155 VQPHFPIZQPGGPJ-QPSCCSFWSA-N 388.472 -0.192 30 20 GBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 1194881249 NDNJVYAHUOXNIM-XOSAIJSUSA-N 377.391 -0.021 30 20 GBED N#CCN1CCN(C(=O)c2cncc(C(=O)N3CCN(CC#N)CC3)c2)CC1 1261218441 UIPSYCXMTOQVJK-UHFFFAOYSA-N 381.440 -0.356 30 20 GBED C=CCSCCNC(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 1320075883 LDDKXMLTNCPJNQ-UHFFFAOYSA-N 387.483 -0.133 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(=O)n(CCOC)c2)C1=O 1322600807 IPDVIHWLJJLURU-CQSZACIVSA-N 376.413 -0.322 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 1324414673 WYCRFGOTHRUDAB-CABCVRRESA-N 398.485 -0.448 30 20 GBED CC(C)(C)N1CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1324577001 MGZNKKIDSZVFGT-PFONDFGASA-N 377.445 -0.428 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)NCC1(CO)COC1 1330029825 XYVOSZNZQLRRLU-UHFFFAOYSA-N 389.455 -0.882 30 20 GBED C=C(C)Cn1c([C@H]2CCCN(C)C2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1343006805 GKTTUESTGVSNBB-GJZGRUSLSA-N 387.488 -0.190 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1343071895 WYQRFAJZDIXXJI-AWEZNQCLSA-N 381.454 -0.163 30 20 GBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)C1 1353771419 UFQVAKGJNFYLPK-BBWFWOEESA-N 377.489 -0.292 30 20 GBED C#CCCNCCNC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OCc2cnn[nH]2)C1 1574895315 QTJRXPMUGIHVPU-LSDHHAIUSA-N 376.461 -0.323 30 20 GBED C#CCOCCC(=O)NC[C@@H](CO)Nc1ncc(-c2nn[nH]n2)cc1Cl 1588361760 SAXZDVNAPXSBOT-NSHDSACASA-N 379.808 -0.156 30 20 GBED CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)O)C1 1596496053 SOHUERYXHOMQHY-LLVKDONJSA-N 387.439 -0.041 30 20 GBED C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C[C@@H](C(=O)O)O1 1599908730 DZNAOFYIHWXBLX-GLQYFDAESA-N 375.381 -0.249 30 20 GBED CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1605150897 DKPUDTRANMATBA-CHWSQXEVSA-N 380.372 -0.510 30 20 GBED O=C(C#CC1CC1)N[C@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1606457221 MUIRLSLNNDPXQY-GOSISDBHSA-N 383.412 -0.309 30 20 GBED CC(C)CN1CCN(C(=O)C(=O)N2CCC(C#N)(C(=O)O)CC2)[C@@H](C)C1=O 1609699138 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C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 1792579348 YOUQAUSLVVUTDU-JGFGOLAASA-N 377.441 -0.860 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nncn3c1)C2 1793344749 SNDQSPWKKSVWIR-SCNOPHJPSA-N 397.435 -0.029 30 20 GBED Cn1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)n1 1797836300 KTLCHJPNQSCEKQ-NURKDDNYSA-N 386.412 -0.270 30 20 GBED N#CCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804092003 RRAPNSYUFAAOKV-DYVFJYSZSA-N 384.396 -0.447 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCCC1=O)CC2 1825664440 GWFADVFNOJYWCE-SNVBAGLBSA-N 390.421 -0.235 30 20 GBED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)n1cnnn1 1831224022 AVTNAYJOEKBUBI-KDOFPFPSSA-N 388.428 -0.896 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccn3)C2)C1 1831390937 AKVTUIHJVXMCAP-BEFAXECRSA-N 388.424 -0.415 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]cnc3C)C2)C1 1831392072 INGXQJGCUXNYLA-KXBFYZLASA-N 390.440 -0.174 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838102053 VIPLFNVBPAEPNJ-ACJLOTCBSA-N 393.396 -0.512 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)OC)C2)C1 1839176343 IYBGCDULYTXPMC-KXBFYZLASA-N 398.456 -0.013 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1839810137 FTHNBQHNFFRYLC-NRFANRHFSA-N 398.463 -0.527 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1840166209 XYDPZMMNRUPYEB-UGSOOPFHSA-N 395.481 -0.018 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](O)c1cnn(C)c1 268858863 DHALICFCQAGJGE-IAQYHMDHSA-N 377.426 -0.192 30 20 GBED C=CCS(=O)(=O)CCNC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 272816527 FBVDBLLGLLHSIM-UHFFFAOYSA-N 380.426 -0.729 30 20 GBED C[C@H]1c2nncn2CCN1S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 349445481 FVFJRJXLYBGUGM-NSHDSACASA-N 396.454 -0.155 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CCCO[C@H](CF)C2)CC1 349455775 COGNMJKUPLKIGG-GFCCVEGCSA-N 383.467 -0.258 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)ccc1C#N 349473993 JCWJYJNCCVWDPN-UHFFFAOYSA-N 397.482 0.569 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H](C)O)ncc1C#N 349607250 UMDAOEVDASJJCH-NSHDSACASA-N 376.460 -0.306 30 20 GBED CNS(=O)(=O)c1cccc([C@@H](C)NS(=O)(=O)N2CCO[C@H](C#N)C2)c1 410119134 QOTDPQXDEXXTGC-DGCLKSJQSA-N 388.471 -0.286 30 20 GBED CN(CCC#N)C[C@@H](O)Cn1c(=O)c(I)cn(C)c1=O 414161588 KGVAAFJTQKAIKH-SECBINFHSA-N 392.197 -0.642 30 20 GBED C[C@@H]1CCNC[C@@H]1NC(=O)C(=O)N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 420110263 BRALDMWCVXFKAX-AFTNEDFKSA-N 381.436 -0.027 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCCC[C@H]3[C@H](C)N)CC2)c1C#N 423697704 NJDYESJSFCVVQP-BBRMVZONSA-N 387.488 -0.023 30 20 GBED C=CCN(Cc1cccs1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424506134 LTTFYYAYGPSQTB-GFCCVEGCSA-N 386.451 -0.027 30 20 GBED C=CCN(Cc1cccs1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424506137 LTTFYYAYGPSQTB-LBPRGKRZSA-N 386.451 -0.027 30 20 GBED CN(CC(=O)NC[C@@H](CO)[C@H]1CCOC1)S(=O)(=O)c1ccc(C#N)cc1 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Cc1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)cc1S(=O)(=O)N1CCOCC1 843463827 YFFZTWMADJSGJR-CABCVRRESA-N 378.454 -0.143 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 844202852 OXOWXRPBVUQWEO-BZNIZROVSA-N 395.441 -0.058 30 20 GBED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NCC#CCO)ccc2F)CC1 848040119 DBSQRCIDXXMXAC-UHFFFAOYSA-N 397.428 -0.596 30 20 GBED O=C(NCC#CCO)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 848040488 KKWPNKFCNKRUAS-ZDUSSCGKSA-N 378.406 -0.264 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cn(C)cn1 993556260 ISPKFNUVVBTGCQ-UGQVUOCMSA-N 389.456 -0.313 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 1024273576 PSLXKLFWOZRHRA-MPESAESLSA-N 388.424 -0.537 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2nc(CCOC)no2)C[C@@H]1O 1083853598 CCUFZXYJPFTYCZ-LOUJCGABSA-N 380.445 -0.099 30 20 GBED C=CCN(CC=C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 1196284671 YPMXQLWTJVAUPF-YFHUEUNASA-N 387.484 -0.115 30 20 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CCCC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779255766 JZWZGHKHIJXGPO-ACJLOTCBSA-N 379.413 -0.791 30 20 GBED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)N1CCN(C)CC1 1781089745 HKOHRIVSTQKNMD-UWJYYQICSA-N 388.512 -0.134 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4ccnn34)C2)C1 1782227906 PEZPGRBHCMDPTA-IBGZPJMESA-N 382.376 -0.134 30 20 GBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CS(=O)(=O)N1CCCC1)CCO2 1783913354 OLVPCWMNCAHCSH-QGZVFWFLSA-N 385.486 -0.182 30 20 GBED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C[C@@H]21 1792171474 ZPRQNPBFTWGYNR-VGWMRTNUSA-N 399.513 -0.293 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(C)CC1)C2 1793340741 GVRBFCAJPVJVAM-OWLYRPNTSA-N 377.485 -0.044 30 20 GBED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2 1793384202 SMOXJDOCAYJBCG-BAESOJJISA-N 396.517 -0.137 30 20 GBED N#CCCC(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1806864241 UKPLPILRQCMHLU-GRDNDAEWSA-N 398.423 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O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1835405770 MLSIUOZCOKMVFN-HXUWFJFHSA-N 389.452 -0.521 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836417786 MIZOWSBGHXWLTM-KRWDZBQOSA-N 376.369 -0.524 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCOCCOCCOC)CCO2 1840077868 QBEQIOIWVBOFFN-IBGZPJMESA-N 398.456 -0.854 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1840167421 PBNQWOGITKQQTD-HXUWFJFHSA-N 393.484 -0.422 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@H](COC)NC(C)=O)C1 1844386153 LWYBYSPJZQWBDN-HNNXBMFYSA-N 395.456 -0.150 30 20 GBED C#CCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1848072118 NKGMUQWAQAHDRP-HOTGVXAUSA-N 381.498 -0.278 30 20 GBED N#Cc1ccc(OC[C@H](O)CN2CCN(C(=O)CN3CCOCC3)CC2)cc1 22550455 UESGBIZEWMNIGQ-GOSISDBHSA-N 388.468 -0.226 30 20 GBED COCCN(CC(=O)N(C)C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 268776669 AKWFCFWBNFTGIT-CYBMUJFWSA-N 396.469 -0.212 30 20 GBED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)o1 286972300 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GBED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 409507923 BTGOGIYBIOHXEZ-CHWSQXEVSA-N 377.430 -0.672 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C(=O)CN2CCOCC2)CC1 409572985 DVUCZRNISKTINH-HNNXBMFYSA-N 387.506 -0.811 30 20 GBED N#Cc1ncn(CC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)n1 426854514 AFGXDFCALRJDSM-UHFFFAOYSA-N 383.416 -0.875 30 20 GBED C[C@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 443255881 XDQLCJGKHZADKB-ZUZCIYMTSA-N 384.371 0.462 30 20 GBED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCC(=O)c1ccc(C#N)cc1 557104714 ZCULIIWJHCJWJW-UHFFFAOYSA-N 394.453 -0.309 30 20 GBED COC(=O)[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(C#N)cc1OC 573646319 XZOMZMVMYJMXMV-CYBMUJFWSA-N 383.426 -0.281 30 20 GBED CC(C)(C)[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)C(N)=O 578453413 RVKMGSGVMOLBHO-GFCCVEGCSA-N 388.471 -0.333 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(CCNS(C)(=O)=O)C2CC2)CC1 579119929 QTNWRNCBUYCIKO-MRXNPFEDSA-N 385.534 -0.308 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 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CC#CCS(=O)(=O)NC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 810777021 RQQSYZPGCJWVGA-UHFFFAOYSA-N 384.479 0.000 30 20 GBED COc1cc(C(=O)NCC(=O)N[C@H]2CCCN(O)C2=O)cc(OC)c1OC 816758655 UZNJWWKGXHFINL-NSHDSACASA-N 381.385 -0.061 30 20 GBED S=C(NCCCN1CCOCC1)NN=Cc1cn(C[C@H]2CCCO2)nn1 872330268 KIMSCXSKVMMKAV-OAHLLOKOSA-N 381.506 -0.023 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn3c2OCCC3)C1 969039031 YDVGGZBZFDCXBQ-OJLVUWQFSA-N 390.440 -0.052 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@H]1O 1025710171 AZQFPPYKUZEXHY-ZRJCITRHSA-N 377.397 -0.800 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1C[C@H]1C(=O)N(C)C 1058853775 JWVNMOCUUDRHAY-WCVJEAGWSA-N 381.473 -0.371 30 20 GBED CCCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110151294 UZFZZKKRWDLEBW-RDBSUJKOSA-N 378.477 -0.165 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCOCC2)CC1 1117173930 PXRJVBYFSUWGDY-OAHLLOKOSA-N 378.473 -0.941 30 20 GBED 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C#CCCCC(=O)NCCN1CCN([C@@H](C)C(=O)NCc2cnn[nH]2)CC1 1574867735 YPGKWRFYKMMCSN-HNNXBMFYSA-N 375.477 -0.653 30 20 GBED C=CCCO[C@@H](C)C(=O)N1CCC(N(Cc2cnn[nH]2)C(=O)C(N)=O)CC1 1575099958 HFZCVTZLDVACFX-LBPRGKRZSA-N 378.433 -0.409 30 20 GBED C[C@H](NC(=O)CC(=O)NCc1cnn[nH]1)C1CCN(C(=O)[C@H](C)C#N)CC1 1575175563 BNKRKUCOFXYEDE-NEPJUHHUSA-N 375.433 -0.286 30 20 GBED COCCN(CCNC(=O)c1ccc(C#N)[nH]1)c1nccnc1-c1nn[nH]n1 1579809493 BYRGSPYPLLTCGH-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@]1(O)CCS(=O)(=O)C1 1581855521 DGEXDEACQYFQKZ-CZUORRHYSA-N 390.425 -0.785 30 20 GBED N#Cc1nccnc1N1C[C@H]2C(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 1581885300 VXHYPYRQCPKOSM-QWRGUYRKSA-N 376.384 -0.031 30 20 GBED CN1CCN(C(=O)C2CCN(c3cnc(-c4nn[nH]n4)c(C#N)n3)CC2)CC1 1591189520 HQVZWZCSYSXYHU-UHFFFAOYSA-N 382.432 -0.481 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)Nc3nn(C)cc3C#N)CC2)c1-c1nn[nH]n1 1592431660 DQMXSJUXIYZVLF-UHFFFAOYSA-N 396.419 -0.132 30 20 GBED N#CCNCCC(=O)NC[C@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1592678822 SHQMRXFVUYUUJU-CYBMUJFWSA-N 385.432 -0.191 30 20 GBED C#CCN1CCC(C(=O)NC2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC1 1602717775 AKSMTJXJKMMTPH-UHFFFAOYSA-N 382.428 -0.519 30 20 GBED C#CC[C@H](NC(=O)[C@@H]1C[C@H](C)C[C@H]1C(=O)N[C@@H](CC#C)C(=O)OC)C(=O)O 1609076834 ZZFOMAWFCRAJPU-QRTUWBSPSA-N 376.409 -0.078 30 20 GBED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H](O)[C@@H](CO)C2)CC1 1646102260 WNVKTNGAVMNKTO-KBAYOESNSA-N 376.432 -0.180 30 20 GBED CNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1711291214 PFBMEXFPCMDHSN-RYUDHWBXSA-N 375.433 -0.270 30 20 GBED O=C1C[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)CN1 1779137717 CZTLNZWLVKOXQG-HIGRIZBISA-N 388.424 -0.336 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1781264281 SBPPBSDBCOFGQK-SCLBCKFNSA-N 395.412 -0.566 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1cnc[nH]1)C2 1782011264 SKFYDIMAGGRDQL-DNVCBOLYSA-N 388.424 -0.056 30 20 GBED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C2 1782181462 OJFLHBUUJBATCH-IPJQOSJUSA-N 386.518 -0.589 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cncn1)C2 1793346464 BARGHXUKIJHROG-DGADGQDISA-N 375.429 -0.533 30 20 GBED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)N2)cc1 1795284005 LLLAGJVPSXTERT-CLWJZODNSA-N 396.447 -0.031 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOCC2)CCC1 1795443354 GXBYESSLDVNPDY-SCAQPMJSSA-N 376.457 -0.398 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNc2ccccc21 1795624929 LVHAYBBQCVGCAL-QPWUGHHJSA-N 383.404 -0.127 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1ccnn1 1801394342 HQRFIXYFOBPUDR-IVSAIRAKSA-N 391.472 -0.169 30 20 GBED CCOC(=O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1802091597 QSIIUYDFMIVPEG-JJLQDPRZSA-N 380.397 -0.747 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1812876267 GKKVEGSAUOCVFE-SUNYJGFJSA-N 384.392 -0.546 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOC)C2)C1 1831391794 VRHMNWIIZQIMEH-VQIMIIECSA-N 398.456 -0.856 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1831391954 YHBHWJUBXSMJJB-QFBILLFUSA-N 390.440 -0.622 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN(C)C)C2)C1 1831392100 ZWPGOOCNSVIYQA-QFBILLFUSA-N 381.473 -0.567 30 20 GBED CN(C)C(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835351898 DOAOXDQCCXLMNN-KRWDZBQOSA-N 381.433 -0.982 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1839174842 ZXTBUEVTLBVMKL-GOSISDBHSA-N 379.413 -0.134 30 20 GBED Cc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041574 VIYGZUHXCWDHMF-LJQANCHMSA-N 387.392 -0.452 30 20 GBED N#Cc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@@H](N)CCC(N)=O)C3)cc1 1841099343 DZOMMNMVLCSXLM-INIZCTEOSA-N 383.452 -0.103 30 20 GBED C/N=C(/NC[C@H]1CCCN1S(C)(=O)=O)N1CCO[C@H](c2cnn(C)c2)C1 261703185 GJLIEIJAAQMKJR-CABCVRRESA-N 384.506 -0.207 30 20 GBED CCC/N=C(/NC[C@@H]1CCS(=O)(=O)C1)N1CCN(c2cnn(C)c2)C(=O)C1 262402927 NZADNQIFFBTCTE-AWEZNQCLSA-N 396.517 -0.141 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 266680930 SZOOUBRIOGONND-UHFFFAOYSA-N 381.479 -0.034 30 20 GBED CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H]1CC(=O)NC1=O 268821415 SDZAWOVENVNVOA-GWCFXTLKSA-N 378.410 -0.511 30 20 GBED CN1CCN(CCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1(C)C 291539756 LERMYCLTISBCDE-UHFFFAOYSA-N 393.513 -0.021 30 20 GBED Cc1cnn(C[C@H]2CN(/C(O)=N/CCC(=O)N3CCN(C)CC3)CCO2)c1 329234945 IFERCMOMLAXNIM-MRXNPFEDSA-N 378.477 -0.030 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C[C@H]1C 349504244 MEJKWTUGEZVPJJ-NEPJUHHUSA-N 380.492 -0.910 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)CC(=O)N1 349505836 SLVIZDHAFNCQDX-NSHDSACASA-N 380.492 -0.910 30 20 GBED CCc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)n(C)n1 349506908 UQNUYRWSVNSXEG-UHFFFAOYSA-N 375.476 -0.101 30 20 GBED C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 377934756 XVYMTHVGOOSYMT-CYBMUJFWSA-N 383.412 -0.086 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@H]3CNCCCO3)C2=O)cc1 418899585 BXOQKSGRTJDTHZ-IAGOWNOFSA-N 399.451 -0.335 30 20 GBED C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C)N1 418958531 GKABOSAZHSYJJF-JKIFEVAISA-N 383.452 -0.016 30 20 GBED C=CCOC[C@H](NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C(=O)OC 435937117 QOPURRAUFLATSD-PRSXHHODSA-N 380.397 -0.602 30 20 GBED CN(CC(=O)N1CCN(C(=O)CC#N)CC1)S(=O)(=O)c1ccc(C#N)cc1 503647029 YSYIEGHMGKHLJP-UHFFFAOYSA-N 389.437 -0.237 30 20 GBED COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 507472418 ZYAYJOAALKOJOW-AWEZNQCLSA-N 395.485 -0.199 30 20 GBED CCNC(=O)CN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 563424532 SAQKPXROTDNAFY-UHFFFAOYSA-N 388.471 -0.365 30 20 GBED C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 584253691 KDFQREYHGOXZFZ-RYUDHWBXSA-N 378.433 -0.435 30 20 GBED COc1cc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)ccc1S(=O)(=O)N(C)C 584828162 NUFFTVJJAGRDRR-LBPRGKRZSA-N 396.425 -0.365 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C 591333179 OFNMHZVZDCDTNY-NEPJUHHUSA-N 395.503 -0.094 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 728534499 NLODDNKPCNDKCR-UHFFFAOYSA-N 392.481 -0.556 30 20 GBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2sccc2C(N)=O)CC1 728572492 HGVUGVLFJHTPMN-LBPRGKRZSA-N 377.470 -0.459 30 20 GBED C#Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 746788444 REOMKBOBQKUULK-UHFFFAOYSA-N 396.403 -0.574 30 20 GBED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCNc1ncccc1C#N 755232752 IKVVLKWXCYEWEU-LLVKDONJSA-N 377.430 -0.418 30 20 GBED C=CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 760774558 SWDVGRUBYQAHNF-GFCCVEGCSA-N 385.442 -0.107 30 20 GBED C[C@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCS1(=O)=O 760787844 HGRLFRPONHKYML-NSHDSACASA-N 385.467 -0.239 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2ccc(N3CCCC3)nc2)c(=O)n(C)c1=O 771893327 ZIZOBKXIXBJLBN-UHFFFAOYSA-N 392.441 -0.608 30 20 GBED CCOC(=O)CON=C(C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)c1cc[nH]n1 789997243 FAVRHLRCCLHPFC-DGCLKSJQSA-N 395.416 -0.555 30 20 GBED CN1CCN(CCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 794200704 VXNJVIAIYGNVNM-UHFFFAOYSA-N 379.486 -0.521 30 20 GBED N#Cc1ccc(CNC(=O)COC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)cc1 815265754 LUAZMYJXMQHPBN-CQSZACIVSA-N 380.426 -0.367 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1n[nH]c(CC(=O)O)n1 827760713 PORYFMIOLIEJCH-MRVPVSSYSA-N 378.370 -0.391 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(CC(F)F)C2)CC1 831574463 HPHUHMSVCWGNCF-ZDUSSCGKSA-N 378.445 -0.425 30 20 GBED C=CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn(CC)n2)c1=O 839203699 UEPHDJDYBZXSQG-UHFFFAOYSA-N 386.481 -0.018 30 20 GBED NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCCN(O)C1=O 848135584 FRHHMWLNNITHGK-STQMWFEESA-N 378.385 -0.347 30 20 GBED CCN(CC(=O)NC)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 848943569 MZGQWSXESKEJFB-UHFFFAOYSA-N 388.471 -0.413 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCC#CCN(C)C)c1 913516052 YPDJSBBOYGSJGQ-UHFFFAOYSA-N 382.486 -0.440 30 20 GBED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnn2C)c1=O 914565181 XWYAFKASIYFALP-UHFFFAOYSA-N 375.454 -0.683 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C)c1 918956782 MIJCGHAEVQPBHZ-LBPRGKRZSA-N 397.453 -0.099 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1C 950407937 DSRYFLLFHHKTOH-FSZRXZPDSA-N 379.457 -0.211 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn(CCN(C)C)n2)C[C@@H]1O 970711650 JFNLXCWYCCIFKH-SIXLDLHFSA-N 391.472 -0.663 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)c3nnc(O)nc3O)C[C@H]21 1022749883 BIZHTAOSOTWCLW-QCNOEVLYSA-N 375.385 -0.453 30 20 GBED C=CCOc1cccnc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2OCCO[C@H]2C)C1 1024363791 BEQPEUKVKXZCCX-CFAJVAMVSA-N 391.424 -0.248 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)nc1 1025062004 JWCLOIGHTIYZEQ-WSWKGWCUSA-N 385.420 -0.584 30 20 GBED N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 1041384793 DHGFUYKCAJXMHU-QBPKDAKJSA-N 382.424 -0.079 30 20 GBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C2)cn1 1044662001 YQVHPYLNVXIYDN-JJAZEVLHSA-N 383.412 -0.684 30 20 GBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 1118181534 ZRZRREOFQAJUMP-ZNMIVQPWSA-N 398.485 -0.552 30 20 GBED Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CC[C@](F)(C#N)C2)cc1 1256967854 UONNOOPHMZKDBQ-INIZCTEOSA-N 382.417 -0.146 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H](N)CCO3)C2)nn1 1327404859 BYLKLYLSBILNDE-DZKIICNBSA-N 376.461 -0.175 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1 1328075021 MKIGUDKAACLELR-AAEUAGOBSA-N 391.453 -0.583 30 20 GBED C#CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 1328771793 MDOUJNDHOMPKLQ-QGZVFWFLSA-N 396.447 -0.183 30 20 GBED CCONC(=O)CNC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1329000513 PCZMMWNRFFEJLI-UHFFFAOYSA-N 377.376 -0.470 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CCN1c1nccn2cnnc12 1332371541 GEENKEIRRCORSQ-ACJLOTCBSA-N 398.427 -0.962 30 20 GBED C#CCN(C(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C(C)C 1356386634 RRBOLXCYWQHYKO-OAHLLOKOSA-N 385.486 -0.490 30 20 GBED CN1CC[C@](O)(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)C1 1554357946 JHMAWUJUPDHZQI-ZWKOTPCHSA-N 391.451 -0.091 30 20 GBED C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1571190806 MKBDZIPAQPPSBN-GHMZBOCLSA-N 382.222 -0.122 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H]2COCCN2c2cncc(-c3nn[nH]n3)n2)cn1 1573288779 TZNBVQSKGXYWSZ-CQSZACIVSA-N 391.395 -0.332 30 20 GBED C#CCN1CCC(N(Cc2cnn[nH]2)C(=O)Cc2c(C)nc(O)nc2O)CC1 1574986154 TYLXETIACLPNHS-UHFFFAOYSA-N 385.428 -0.017 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@H](CN[C@H](C)C(=O)NCc3cnn[nH]3)C2)nn1 1575111593 HPMLERZRLMWWDW-JHJVBQTASA-N 387.448 -0.615 30 20 GBED C[C@H](OCc1cnn[nH]1)C(=O)NCCN1CCN(c2ccncc2C#N)CC1 1575878130 QUKUEOMGYODTCS-AWEZNQCLSA-N 384.444 -0.085 30 20 GBED N#Cc1cc(N2CC(n3cc(-c4nn[nH]n4)c(O)nc3=O)C2)nc(C2CC2)n1 1581866766 UGCLABFLQZZDOD-UHFFFAOYSA-N 378.356 -0.271 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[nH]n3)n2)C1 1602726852 UAIPNOUTRWKCRM-YVEFUNNKSA-N 386.416 -0.540 30 20 GBED C=C(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)O 1602754810 WBSJPQRTQJGRIA-CQSZACIVSA-N 395.437 -0.044 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC1 1606385079 OFFPKLUJPOTOAF-UHFFFAOYSA-N 393.415 -0.138 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC(=O)N(C)C 1741917950 KXXIJZLSTFPBAM-LLVKDONJSA-N 383.478 -0.284 30 20 GBED CC(=O)N(CC(=O)O)C[C@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)CCO1 1776202095 ZIKVUAJMCZKQPL-AWEZNQCLSA-N 388.446 -0.899 30 20 GBED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1779311018 PPORWARZRMANQZ-VQIMIIECSA-N 377.441 -0.619 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3[nH]nc4ccncc34)[C@H]2C1 1787340641 AVUHQDCHIOQMOE-WHOFXGATSA-N 397.391 -0.361 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC(O)C1 1792891375 YIRKQYMQGAGWQZ-VBFVWNODSA-N 378.473 -0.371 30 20 GBED Cn1nncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1794228356 RIBYWECRRWYISP-UADDQELFSA-N 386.412 -0.270 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccccc1=O 1795773464 ZXIBIOCKKZBONK-OAFZBRQQSA-N 387.436 -0.524 30 20 GBED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1800487372 BXVVFMOBGBBXDH-JFILPPLUSA-N 378.429 -0.660 30 20 GBED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801990733 NJHCNSUHBFLZHZ-BUWBCJGYSA-N 395.412 -0.444 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccn3)C2)C1 1831390940 AKVTUIHJVXMCAP-KXBFYZLASA-N 388.424 -0.415 30 20 GBED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835065951 KPTIYGROLOLNOA-PBHICJAKSA-N 381.521 -0.565 30 20 GBED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1838908899 ZWOZGIZPFPAGEJ-HXUWFJFHSA-N 397.387 -0.284 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839235277 QRGKTUAMQJVISH-MAUKXSAKSA-N 393.444 -0.674 30 20 GBED Cc1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042887 UOPLATPURRNAID-IBGZPJMESA-N 387.392 -0.452 30 20 GBED C[C@@]1(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1(F)F 1840045199 WKZCSVGYTQIIFQ-HOTGVXAUSA-N 386.351 -0.424 30 20 GBED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)CNC(=N)N)C3)c2c1 1842884216 JDXYLHHEYUEUNW-UHFFFAOYSA-N 380.412 -0.265 30 20 GBED COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)CC[C@H](N)C(N)=O)C2)c1 1842945751 JNDACEKLKDHDNB-INIZCTEOSA-N 399.451 -0.023 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(OCC(=O)OC)cc1 272953764 LECSLDHMYRFQOU-UHFFFAOYSA-N 384.410 -0.106 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(-n2cnnn2)c1 275580975 DNVJQELNLLUCKF-UHFFFAOYSA-N 398.427 -0.325 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1=O 281355781 LTQDQOQUTSVKEB-ZDUSSCGKSA-N 386.412 -0.117 30 20 GBED C=CCn1c(-c2ccc[nH]2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 282362377 TUKSNTPJYAOKTH-UHFFFAOYSA-N 397.443 -0.074 30 20 GBED C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 283684657 GHOMKMSJMTXOIC-HNNXBMFYSA-N 386.456 -0.561 30 20 GBED CC1(C)COCCN1CC/N=C(/O)NCCS(=O)(=O)N1CCSCC1 328658749 RPDABWNKBGICCE-UHFFFAOYSA-N 394.563 -0.021 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 349473489 IHJHPEGQPIRRIT-HPCHECBXSA-N 377.488 -0.807 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)CO)ccc1C#N 349475969 OBOVTGVGKPHSHN-LLVKDONJSA-N 390.487 0.036 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CCOC2)n(CCC#N)n1 349500677 CWWAIFHXXZSSFD-UHFFFAOYSA-N 391.475 -0.144 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@](F)(C#N)C2)no1 349506705 UVXVDCAXYDEHNC-LLVKDONJSA-N 381.411 -0.223 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CC(CO)C2)ccc1C#N 349508434 MSVRWIBUPFNPGT-UHFFFAOYSA-N 388.471 -0.353 30 20 GBED C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)N=c1cc[nH]cc1 349539332 WAMNZXJBBUCQOW-KGLIPLIRSA-N 375.472 -0.102 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCOCC(F)(F)C1 349625526 VFMHHUDSSODYKN-NSHDSACASA-N 389.446 -0.105 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C(C)C)N2CCCS2(=O)=O)CC1 364336723 IZZVUEWJECCNTL-QGZVFWFLSA-N 398.529 -0.670 30 20 GBED C#CCCS(=O)(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 377381471 WWAYBHMTXWWLME-UHFFFAOYSA-N 386.451 -0.227 30 20 GBED N#Cc1ccsc1NC(=O)CN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 533517224 DFMIVSRDCCMAIB-STQMWFEESA-N 384.483 -0.354 30 20 GBED CC(C)CN(CC(N)=O)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 568252387 QMYAGTKELGOVGE-UHFFFAOYSA-N 388.471 -0.380 30 20 GBED CN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1=O 584477521 KDWQKQIWTTUYEN-HNNXBMFYSA-N 383.408 -0.924 30 20 GBED CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)ccc1F 592299945 UKXCKCXTXGQTPH-INIZCTEOSA-N 398.416 -0.108 30 20 GBED COCCNS(=O)(=O)c1cccc(NC(=O)NCCn2cnc(C#N)n2)c1 599928176 IRCIQOPSTAAOTF-UHFFFAOYSA-N 393.429 -0.104 30 20 GBED N#Cc1c(N2CCC(O)(CN3CCOCC3)CC2)cccc1S(N)(=O)=O 755018673 GXMJVXOBENBFJN-UHFFFAOYSA-N 380.470 -0.131 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(CC)c2)c1=O 758050855 JDYHSJRZTQLKDI-UHFFFAOYSA-N 385.449 -0.975 30 20 GBED C#CCOc1ccc(C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 778122662 KBAYMQZANBWMOD-ZDUSSCGKSA-N 394.405 -0.132 30 20 GBED C=CCN(CC(=O)OCC)C(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 781349257 SCFNRVBUBIETLN-UHFFFAOYSA-N 397.409 -0.180 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 781964784 DICHDTNIVDFJRV-KRWDZBQOSA-N 399.407 -0.019 30 20 GBED C#CCOCCNC(=O)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 784551637 JGLMFYKLAXWYSD-LBPRGKRZSA-N 382.442 -0.129 30 20 GBED C#CCN1CCN(C(=O)CN2C(=O)N[C@@](C)(CCC(=O)OCC)C2=O)CC1 804923752 GCEAGINMLZGMFZ-SFHVURJKSA-N 378.429 -0.582 30 20 GBED C#CCCS(=O)(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 808280635 NXIBJHMJUQTCPK-OKILXGFUSA-N 379.504 -0.689 30 20 GBED C=C[C@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 814547083 RSEXXJCSKJZWQS-AWEZNQCLSA-N 386.401 -0.251 30 20 GBED C#CCNS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC(=O)OC)cc1 848943194 ORVQRTDTBVFHQU-UHFFFAOYSA-N 385.423 -0.715 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 850712719 QAMMNHPXZZXVQV-QGZVFWFLSA-N 392.500 -0.360 30 20 GBED CS(C)(=O)=NS(=O)(=O)N1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 859180395 VWYXTZKXEWYCLM-UHFFFAOYSA-N 384.505 -0.790 30 20 GBED C#CCN1CCC[C@H](NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 923597947 RSWBPXMDRCPDDV-UONOGXRCSA-N 380.470 -0.634 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1OCC 982615622 NOSUXPFIRAXMNI-APIJFGDWSA-N 378.433 -0.756 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@@H]1n1ccnn1 990962689 FNKMZCQMERIBBN-OJLVUWQFSA-N 385.428 -0.215 30 20 GBED C#CCN1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H]2COCCO2)CC1 1001452703 WTWUVLHSZZHALU-ZJPYXAASSA-N 375.469 -0.005 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1c(O)nnc1O 1004820592 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C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN([C@H](C)C(F)(F)F)CC1 1261181433 WEWFJMCKJJDFJQ-LLVKDONJSA-N 385.408 -0.202 30 20 GBED O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1319116749 NHSQYUBOFNHNEZ-MMTYDONNSA-N 398.419 -0.174 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCC(=O)N2CCCCCC2)CC1 1322046107 ATUNVPCOQKSTTC-UHFFFAOYSA-N 390.484 -0.117 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC(=O)N2CCc3ccccc32)C1=O 1322442193 LZCBQCUUAUMLMR-MRXNPFEDSA-N 384.436 -0.063 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NCCOCc1ccccc1 1323065007 YHKOLPGIUAEFJT-WUKNDPDISA-N 386.408 -0.038 30 20 GBED CC(C)CN1CC[C@H](CNC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1323419672 IUIZZDGSFHQCLJ-UVTIVQHFSA-N 391.472 -0.277 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 1330772419 AYGMYPWNKVPVAO-HIFRSBDPSA-N 385.486 -0.280 30 20 GBED CS(=O)(=O)N=S1(=O)CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 1331572523 QJLOSCWBOKWJKS-UHFFFAOYSA-N 378.457 -0.615 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)CN2CCCC2=O)cc1 1340237640 SUSGKIRJNJHJHJ-CQSZACIVSA-N 379.438 -0.689 30 20 GBED CCOC(=O)[C@@]1(COC)CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1448190528 KXTADMODVBEMQH-KRWDZBQOSA-N 378.385 -0.361 30 20 GBED C#CCOCCC(=O)N[C@H]1CCCN(C(=O)CC(=O)NCc2cnn[nH]2)CC1 1575012815 HJEIMJQUGTZDOR-AWEZNQCLSA-N 390.444 -0.652 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CCN(CC(=O)NCc2cnn[nH]2)C1 1575111507 FQYAQHVIJHBJKD-IMJJTQAJSA-N 376.461 -0.160 30 20 GBED Cn1nncc1C1(O)CN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 1581848553 XDGFZZPTYFLWKG-CYBMUJFWSA-N 379.384 -0.593 30 20 GBED N#Cc1ccc(C(=O)NCC2[C@H]3CN(c4cncc(-c5nn[nH]n5)n4)C[C@H]23)[nH]1 1581867798 WFZGDCKMYHMKAF-VXGBXAGGSA-N 376.384 -0.031 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 1588351172 HPRBAVLVOHPRID-HNNXBMFYSA-N 381.444 -0.161 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C[C@@H]1O 1588505873 YREBAMIPBOCQLK-VKJFTORMSA-N 390.419 -0.006 30 20 GBED C=CCC[C@@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1588578053 UWBRPFKDSHFFPZ-AAEUAGOBSA-N 394.457 -0.023 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN1CCN(c2nccnc2-c2nn[nH]n2)CC1 1588724153 WUPZVBVXJQHNEW-KGLIPLIRSA-N 399.459 -0.514 30 20 GBED CN(C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)CSCC#N 1591044475 PSHDYZCRLSHJNX-SNVBAGLBSA-N 392.445 -0.657 30 20 GBED N#Cc1cn(CCC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c(=O)nc1O 1618667294 ZTOAPMPFWFYANC-FQEVSTJZSA-N 397.435 -0.036 30 20 GBED CN(C)CC1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1642676531 RWJBYGOPFRWXRM-UHFFFAOYSA-N 380.470 -0.248 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1778969123 CKXITAXUXAJTSE-SUMWQHHRSA-N 378.433 -0.924 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OC)nn3)C2)C1 1779894564 UMRCGUOEXZTVAC-AUUYWEPGSA-N 388.424 -0.033 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c1 1780335703 FEGNHKQIFONTNV-IBGZPJMESA-N 396.407 -0.413 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1781397339 BLFZUXNFRCKFPV-LBTNJELSSA-N 380.445 -0.247 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccccn4n3)C[C@@H]21 1791075729 RWKDQFSKGOGMER-IHRRRGAJSA-N 397.391 -0.589 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(OC)OC)C2 1792484722 LNRWJHBUMLNVKF-AIYSSGPMSA-N 381.429 -0.947 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1794204653 ADYZKIAGRUEWBO-HPCHECBXSA-N 376.413 -0.739 30 20 GBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccs1)C2 1795079268 XYQZXKOYQIEKOW-DRXBFXEBSA-N 376.438 -0.019 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1 1796354502 ZXTANGIJOGBPPA-OHTBPHCPSA-N 392.412 -0.318 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnn1 1798055397 YUXNPWOZYVXWTE-MIFYACCESA-N 386.456 -0.038 30 20 GBED N#CCCC(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1 1807192556 QQLGIENXVYFQRD-RKVPGOIHSA-N 386.456 -0.016 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(COC)CC3)C2)C1 1831387798 KXNKALTUEATPQM-JXFKEZNVSA-N 394.468 -0.092 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=COCC3)C2)C1 1831402817 SBYHOMPKZNHHGD-KXBFYZLASA-N 378.425 -0.215 30 20 GBED Cc1nnc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)o1 1835354523 NAIPZDFDTJVEPT-QGZVFWFLSA-N 377.401 -0.319 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839228160 UMWUORHEQJPRAG-KDOFPFPSSA-N 395.412 -0.668 30 20 GBED CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839882724 VLJIELXXJFHDNU-LJQANCHMSA-N 377.441 -0.618 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@H]3CCOC3)C2)C1 1840043939 DFXJQCRLBDPQBB-KXBFYZLASA-N 394.424 -0.653 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1840167230 DVARWNQARFNJBT-GOSISDBHSA-N 375.429 -0.462 30 20 GBED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1840293783 UZABJVJSUSDSJY-LJQANCHMSA-N 390.440 -0.488 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)nc2cccnn12 1847805801 IHEZXMSZCDSGQY-ILXRZTDVSA-N 395.419 -0.057 30 20 GBED N#C[C@H]1CN(C(=O)CN2CCS(=O)(=O)CC2)CCN1Cc1ccccc1 114308953 ZSCSOMPNWUDBSW-KRWDZBQOSA-N 376.482 -0.047 30 20 GBED C[C@H]1CN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CCN1S(C)(=O)=O 272029396 OVJOCJBMYPGGKV-LBPRGKRZSA-N 376.438 -0.060 30 20 GBED C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 297608221 DJHZHZWXQFDQKE-IEBWSBKVSA-N 399.495 -0.252 30 20 GBED COCC(=O)N1CCN(/C(O)=N/CCN2CCN(C(=O)C3CCC3)CC2)CC1 329554260 DKTHVWLFOBHKGV-UHFFFAOYSA-N 395.504 -0.365 30 20 GBED O=C(CC/N=C(/O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)N1CCOCC1 329610437 JKQXBDVEFBIEIB-CZPYZCIJSA-N 379.413 -0.256 30 20 GBED C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)[C@@H]1CO 349496048 OXLGTFJUYBIMMC-QWHCGFSZSA-N 381.520 -0.027 30 20 GBED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)N1CCN(CC#N)CC1 442139306 AEUWFUCBCYADGT-UHFFFAOYSA-N 380.416 -0.468 30 20 GBED C[C@@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 443249401 TURUFPRWXPNLOO-BMIGLBTASA-N 384.371 0.462 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccn(C)c1=O 465417001 LVWSRPCGHUCRFW-GFCCVEGCSA-N 381.396 -0.277 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N2CC(=O)NC[C@H]2C(=O)OC)cc1 468637827 JDJSGONKFPADOA-ZDUSSCGKSA-N 381.410 -0.736 30 20 GBED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)nc1 474353053 MGEVXYAXAUFYLS-CQSZACIVSA-N 384.461 -0.052 30 20 GBED Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)nn1CCC#N 504030171 IGOUSVSWOHTONH-UHFFFAOYSA-N 396.473 -0.121 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCN1CCO[C@H](C)C1 547306058 LZLXQXGSHAIPQP-CQSZACIVSA-N 397.439 0.223 30 20 GBED CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 582081233 HFMNFJSYNYGBPL-UONOGXRCSA-N 378.433 -0.435 30 20 GBED Cc1nsc(N2CCN(C(=O)NCC(=O)N3CCNCC3)CC2)c1C#N 584042956 JTBGOLWGPTXKQZ-UHFFFAOYSA-N 377.474 -0.413 30 20 GBED C=CCOC[C@@H](NC(=O)CNS(=O)(=O)c1c(C)noc1C)C(=O)OC 584811642 AGBIGGBANKAYAM-LLVKDONJSA-N 375.403 -0.570 30 20 GBED COC(=O)[C@H]1C[C@H](O)CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 592198563 RWUNPWVUWNGZGM-KBPBESRZSA-N 391.428 -0.641 30 20 GBED N#Cc1ccc(CN2CCN(S(=O)(=O)N3CCS(=O)(=O)CC3)CC2)cc1 609158182 HLRDYMPMZLJMBQ-UHFFFAOYSA-N 398.510 -0.349 30 20 GBED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(C)c2)c1=O 725763991 DBYAGEDNTHLTAN-UHFFFAOYSA-N 389.481 -0.293 30 20 GBED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC)n(Cc3ccon3)c2=O)cn1 772312770 WXIXNXHORIDPFA-UHFFFAOYSA-N 382.405 -0.508 30 20 GBED C[C@H](CC(=O)NCC(=O)N1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 776499127 FHPAAMQSVIJZCD-GFCCVEGCSA-N 394.453 -0.521 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 786366371 HUBSQDFHHGOPCE-QPKSUZNQSA-N 393.396 -0.518 30 20 GBED C[C@@H](OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C(=O)NC1(C#N)CCC1 787636747 AQSRKTKSEMJCFS-SNVBAGLBSA-N 385.380 -0.260 30 20 GBED CNS(=O)(=O)c1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)nc1 792399391 BEJJCBBQNGQPIM-YPKPFQOOSA-N 394.413 -0.362 30 20 GBED N#Cc1nc(F)ccc1OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 808045030 OVRJOXCSYNAAMQ-GFCCVEGCSA-N 382.417 -0.198 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 834456830 IKFHZEDSHLBNIT-ZDUSSCGKSA-N 383.426 -0.303 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NOCCN1CCCC1=O 856041752 VXWIVOXTCIPKQO-LBPRGKRZSA-N 380.426 -0.105 30 20 GBED C#CCNc1nc(N[C@@H]2CCN(C(C)=O)C2)nc(N[C@@H]2CCN(C(C)=O)C2)n1 856791426 UZGRYOWIPHACQC-HUUCEWRRSA-N 386.460 -0.018 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cnc(C3(C)OCCO3)s2)CC1 859180119 RKUKEALSXWXKRZ-UHFFFAOYSA-N 378.454 -0.130 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@@H]1O 964490413 ULTRXWZDGAIODU-AEIGPULVSA-N 376.413 -0.937 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn(CCOC)n2)C[C@@H]1O 970702226 MWBGIUOKOZLZFL-OJLVUWQFSA-N 378.429 -0.578 30 20 GBED O=C(C#CC1CC1)N1CCN(C(=O)[C@@]23COC[C@@H]2C3)[C@@H]2CS(=O)(=O)C[C@@H]21 995443187 GTNLJDJMYTVOMN-AFIMGQEJSA-N 378.450 -0.727 30 20 GBED N#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 1069985940 RLYUXIBJJPUQLC-NCOADZHNSA-N 389.460 -0.977 30 20 GBED CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nc(C)ccc1C#N 1093029434 BVGXGFYCENKYEB-MCIONIFRSA-N 378.458 -0.459 30 20 GBED C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N[C@@H](C)C(=O)N(C)C 1110183247 OHQVYJLACNUTGU-FZKCQIBNSA-N 380.489 -0.107 30 20 GBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnc(O)n(C)c1=O 1110884553 KFMSMZYLFLRLBY-UNJBNNCHSA-N 375.429 -0.488 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)n(C)c(=O)n1C 1111488367 IDNNVQKALGLXCK-XOUADPBQSA-N 376.457 -0.103 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCCC[C@@H]1CN1CCCC1=O 1261927376 JYVZGEMCCSPWDR-CQSZACIVSA-N 385.486 -0.293 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@H]1CCCN1CC(F)(F)F 1262284025 AWXHKKLOZWPKOO-LLVKDONJSA-N 385.408 -0.154 30 20 GBED C#CCNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)nc2)CC1 1321472407 BGURFAPHFWHTFW-UHFFFAOYSA-N 378.454 -0.067 30 20 GBED COCCOCCNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1322084052 BFQYLBJGTLLEQQ-ZDUSSCGKSA-N 376.417 -0.835 30 20 GBED C#CCNC(=O)CC(=O)N1CCC[C@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573285111 DAPHFPQOIROLNM-LBPRGKRZSA-N 384.400 -0.945 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@H](O)CNc1cc(-c2nn[nH]n2)nc(CC)n1 1573310188 UPDYCCPYTLRDOA-HWPZZCPQSA-N 376.421 -0.565 30 20 GBED C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCN1 1574660399 OVPLAEZDFWMCMP-GJZGRUSLSA-N 396.517 -0.178 30 20 GBED N#Cc1ccc(N2CC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)nc1 1581870990 BQTZZWXJSHNTGN-JSGCOSHPSA-N 379.384 -0.169 30 20 GBED C#CCNC(=O)[C@@H](C)N1C[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2C1 1588352966 BXFWEPBVDWYFCZ-BNOWGMLFSA-N 382.428 -0.664 30 20 GBED C#CCNC(=O)[C@H](C)N1C[C@H]2C(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 1588353254 MDOUMDSRQHEOIK-BPNCWPANSA-N 382.428 -0.760 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](CC)N=c1cc[nH]c(-c2nn[nH]n2)n1 1588404295 HAXLWZXLZGAYNK-CHWSQXEVSA-N 387.448 -0.144 30 20 GBED C=CC[C@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588546132 YCZTZFQUGOEYLY-ZYHUDNBSSA-N 380.430 -0.413 30 20 GBED C=C[C@@H](C(=O)O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1588670030 UJNWVVFDRLMHHG-ZDUSSCGKSA-N 389.455 -0.721 30 20 GBED N#Cc1cccc(-c2nn[nH]n2)c1N1CCN(CC(=O)N2CCOCC2)CC1 1592698837 JQWZNTURYPIUAD-UHFFFAOYSA-N 382.428 -0.281 30 20 GBED C=CCCn1cc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[nH]n3)cn2)nn1 1602846655 UHCSLPFKRWZHGB-GFCCVEGCSA-N 384.404 -0.368 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1783106222 AIULWWQUJUPWOT-WDYCEAGBSA-N 381.473 -0.321 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(=O)CC)[C@H]2C1 1784363906 XUSPULXKOFUDRD-NRKLIOEPSA-N 393.484 -0.081 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(C)C(=O)CC1)C2 1793340555 KQZNJONSCSTLFP-VWPFQQQWSA-N 390.440 -0.778 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 1800451093 OGMJYPKNSPXHAR-HBCWATKFSA-N 395.415 -0.105 30 20 GBED CC(C)(C)OC(=O)N[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801990732 NJHCNSUHBFLZHZ-AZKPJATDSA-N 395.412 -0.444 30 20 GBED CCn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)n1 1834408498 CATLDNGEDGPDJT-GOSISDBHSA-N 390.396 -0.939 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)C1 1839806799 YYSVLUUTDPLCSZ-OAQYLSRUSA-N 399.447 -0.152 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@@H]2NC(=O)NC2=O)cc1 1848128918 KUZWPJWBTRXHNM-KKUMJFAQSA-N 381.392 -0.028 30 20 GBED CC/N=C(/NC[C@H](C)N1CCN(C)CC1)N1CCN(c2cnn(C)c2)C(=O)C1 261691428 IODORODIFNITMD-INIZCTEOSA-N 390.536 -0.330 30 20 GBED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1 293422912 QEJTUMYLYHWKIM-UHFFFAOYSA-N 384.433 -0.256 30 20 GBED N#C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCO1 408093498 CAMMSHPOVMKKNW-ZDUSSCGKSA-N 378.410 -0.828 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CC)[C@H](c3ncc[nH]3)C2)C1=O 410882533 IWDOAJYDGIVLEE-CABCVRRESA-N 388.472 -0.140 30 20 GBED COC(=O)CN(CC#N)CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 485080437 XRKQBTJUSZCCPO-ZIAGYGMSSA-N 387.458 -0.820 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1C(=O)CCC1=O 541360555 TYOWJIVKFFJJNM-UHFFFAOYSA-N 388.380 -0.213 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NCCN2C[C@@H](C(=O)O)CC2=O)c1 547890982 UGDNHFTVYYTBAL-ZDUSSCGKSA-N 395.437 -0.186 30 20 GBED COC(=O)CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 574651213 JQKYORULIHKLIM-UHFFFAOYSA-N 375.428 -0.328 30 20 GBED CC(C)C[C@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)C(=O)O 581602838 UYYLIZCTNJNRHD-LLVKDONJSA-N 378.433 0.118 30 20 GBED COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H]1CS(N)(=O)=O 593573880 HXALOADLOKGOSY-NSHDSACASA-N 387.439 -0.214 30 20 GBED C[C@H]1C(=O)NCCN1C(=O)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 593934759 YLVRZOZTCKSVEO-AWEZNQCLSA-N 383.452 -0.014 30 20 GBED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1ccc(C#N)cc1 728762273 BVAJXPUQZYLBNN-AWEZNQCLSA-N 378.410 -0.510 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)CC1 736630984 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1322696383 WEOGEYQMBPAFNU-DHUSEOKESA-N 376.413 -0.441 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 1323723252 PZCZTBRSBKJRGE-NSHDSACASA-N 375.472 -0.232 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H](N)CCO3)C2)CCN1C1CC1 1329830032 AYQGNURKPUWGFE-BURFUSLBSA-N 389.500 -0.070 30 20 GBED C=CCNC(=O)CNC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 1344464600 MAPGGBADGOUQKM-KRWDZBQOSA-N 381.454 -0.140 30 20 GBED C=CCn1c(-c2ccnn2C)nnc1N1CCN(CC(=O)NCCOC)CC1 1352132486 DQXLEZGQOWGZMY-UHFFFAOYSA-N 388.476 -0.251 30 20 GBED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCOC2)C1 1555985445 PGJSFYQWVFYWPN-WQVCFCJDSA-N 399.448 -0.226 30 20 GBED N#Cc1ncc(N[C@@H]2CCCN(CCN3CCOCC3)C2)nc1-c1nn[nH]n1 1571245995 QHLLDZAPIJOSDZ-CYBMUJFWSA-N 384.448 -0.263 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1573286115 ULBZFTUNORBVGC-WFASDCNBSA-N 384.444 -0.131 30 20 GBED C[C@H](C#N)C(=O)N(CCO)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573562167 RNOCDBQTNSBJNP-DGCLKSJQSA-N 386.416 -0.220 30 20 GBED C#CCOCCC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1588361722 RROKOYJQZMWTPV-ZDUSSCGKSA-N 387.400 -0.808 30 20 GBED C#Cc1cncc(C(=O)NC[C@]2(O)CCN(c3cnc(-c4nn[nH]n4)cn3)C2)c1 1588381209 UXOQAVQQFVPKTJ-GOSISDBHSA-N 391.395 -0.596 30 20 GBED CC(C)(C)C#CC(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1589068027 JLTRSVZTYKPMPZ-UHFFFAOYSA-N 385.428 -0.063 30 20 GBED COCCOc1cccc(CNC(=O)Cn2c(N)nc(C#N)c2-c2nn[nH]n2)c1 1591445279 HTHZKTZTFUQSFM-UHFFFAOYSA-N 397.399 -0.141 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCCn1cc(CO)nn1 1592666301 NPIQDJJOCPTWEX-CQSZACIVSA-N 381.400 -0.161 30 20 GBED N#CCN1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C3)[C@@H]2C1 1592677858 KJXDZKOKDYSYJM-BNOWGMLFSA-N 397.399 -0.562 30 20 GBED N#Cc1cc(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)c[nH]1 1606359876 HGPUUHDGWMELFG-LBPRGKRZSA-N 380.372 -0.508 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1781399662 DHZDHOGEQKRKDL-GLJUWKHASA-N 397.476 -0.790 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782753876 PATBZTVECPAJJC-UGSOOPFHSA-N 381.429 -0.429 30 20 GBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1783052272 CIDYMSBDNOQEPF-IFXJQAMLSA-N 395.456 -0.275 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1783175764 GMNLPWKZAKFPJN-WTANOLMUSA-N 381.473 -0.086 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1783565603 WCWANTZEVYAOHQ-LJQANCHMSA-N 386.408 -0.249 30 20 GBED C[C@H](Cn1cccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1785443907 LFMLTVFSGDDYAX-UGUYLWEFSA-N 388.424 -0.413 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H]1CNC(=O)O1)C2 1792562141 TUFUMUYQMUQDMI-HPXGFHFLSA-N 376.413 -0.409 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ncnn3c1)C2 1793344105 IFHCZIMEECXYJO-NYCLONFESA-N 397.435 -0.029 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(CO)on1)C2 1793345222 OGOTVJPBFDMOMH-NFFDBFGFSA-N 377.397 -0.592 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C2 1797706756 OZMTYCVGWFURFM-HAFSJTIUSA-N 381.473 -0.339 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1O)C2 1797712095 QMHQBBLNWMPDBQ-AYRXBEOTSA-N 390.440 -0.042 30 20 GBED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1)n1cncn1 1798694700 FSUBEKKCGNQEFC-OEYIWLLWSA-N 383.412 -0.058 30 20 GBED CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1800530944 BVMKBFXNIRLCTH-HNKHHVNMSA-N 393.488 -0.618 30 20 GBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)C2 1800998111 YHAMQFIYCNYLCF-BLUODKFWSA-N 380.470 -0.045 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCCS2(=O)=O)C3)CCC1 1801985341 RXDCHJPONXCLQJ-XGUBFFRZSA-N 395.481 -0.153 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)Cn2ccnn2)[C@@H]1c1cccnc1 1807694221 XXLQQFJANKIKBV-KDOFPFPSSA-N 382.380 -0.533 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810226867 OQMAFDBJEJYOQV-YVEFUNNKSA-N 383.364 -0.949 30 20 GBED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CNC(=O)O2)[nH]n1 1822197776 UPHMHEKUYWWDRJ-QWRGUYRKSA-N 375.341 -0.402 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1831424063 BZMGDRHQZPQUPB-MAUKXSAKSA-N 393.444 -0.674 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1832452190 SUGBSEZGQDXKDE-MRXNPFEDSA-N 396.473 -0.951 30 20 GBED N#CCC(=O)N1CCC(N2CCC(NC(=O)CN3C(=O)CNC3=O)CC2)CC1 1833677017 JFJLEJSULKMMGM-UHFFFAOYSA-N 390.444 -0.977 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833876105 GLUASLBAIINVGG-FZKQIMNGSA-N 395.481 -0.226 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834675799 XGUWVHNQGDOXEG-CQSZACIVSA-N 392.504 -0.921 30 20 GBED C[C@@H](CN)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674067 DSKORNVSMUELTD-HNAYVOBHSA-N 395.504 -0.681 30 20 GBED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839875199 RYRQSXBUARIMDX-UZLBHIALSA-N 391.468 -0.228 30 20 GBED CCc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)co1 1840042183 GBMQWEIBXSFHNO-GOSISDBHSA-N 391.380 -0.605 30 20 GBED N=C1NCCN1CC(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1842909284 HEHYAVFVWXLGIF-SRZZPIQSSA-N 375.477 -0.499 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CCC(N)=O)C2 1845187962 PSLIPPLRGIEMSM-ZDUSSCGKSA-N 380.445 -0.708 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC[C@H]2Cc3ccccc3O2)c1=O 53576812 PSEXSCIBUKOCOO-OAHLLOKOSA-N 398.419 -0.336 30 20 GBED C/N=C(/NC[C@H]1CCCN1S(C)(=O)=O)N1CCO[C@@H](c2cnn(C)c2)C1 261703189 GJLIEIJAAQMKJR-HUUCEWRRSA-N 384.506 -0.207 30 20 GBED CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 267998835 SWNSPLCMMVJRMN-CQSZACIVSA-N 389.460 -0.206 30 20 GBED COC(=O)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 268757965 YOBIXLGUMHXZJI-MFKMUULPSA-N 397.409 -0.554 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCO)CCOCC(F)(F)F)C1=O 270340530 ULWXPZOTUFMPGD-UHFFFAOYSA-N 381.307 -0.637 30 20 GBED C=CCS(=O)(=O)CCNC(=O)NCc1cccc(S(=O)(=O)NC)c1 272868304 SDMCBMVQANKCTP-UHFFFAOYSA-N 375.472 -0.005 30 20 GBED C[C@H](O)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 275124760 IUVIRLCGPRBLKF-KBPBESRZSA-N 380.470 -0.250 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2noc(C3CCOCC3)n2)c1=O 298227853 IBDGVKRATSLNCS-UHFFFAOYSA-N 375.385 -0.131 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@]3(C2)N=C(O)N(C)C3=O)CC1 329165321 HKPOVPBYESHAQK-KSSFIOAISA-N 376.461 -0.491 30 20 GBED C[C@H]1CS(=O)(=O)C[C@H]1/N=C(/O)N1CCC[C@H](N2CCCS2(=O)=O)C1 329660392 OBXUIWZXQGKJRQ-RWMBFGLXSA-N 379.504 -0.167 30 20 GBED Cc1ccc(C(=O)N2CCN(C(=O)CO)CC2)cc1S(=O)(=O)NCC#N 481878040 KTGZKOJLHVVFRV-UHFFFAOYSA-N 380.426 -0.926 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CC(O)(CC#N)C2)cc1 514738852 LMKMCWZACKLBBL-NSHDSACASA-N 384.439 -0.474 30 20 GBED C=CC[C@H](CO)CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 548432539 JDZZTOCJNBWZCK-ZDUSSCGKSA-N 383.470 -0.033 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCCS(=O)(=O)N1C[C@@H](O)C2(CC2)C1 580582998 XHNGMMGGIVWPQW-GFCCVEGCSA-N 379.504 -0.225 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1 733150325 HUIBNAMFJOICEE-HNNXBMFYSA-N 384.502 -0.916 30 20 GBED COCCNC(=O)[C@H](C#N)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 748482308 LBXCGOLJDNKWFM-CYBMUJFWSA-N 377.357 -0.135 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCC[C@H](N2CCNC2=O)C1)c1cc[nH]n1 772146241 POFKZCUZBVODIJ-LBPRGKRZSA-N 392.416 -0.290 30 20 GBED C#C[C@H](NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21)[C@@H]1CCCO1 775327990 WSEKBNBGDPFCMC-AAEUAGOBSA-N 379.394 -0.461 30 20 GBED C=C[C@H](O)C(=O)OCC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 814548215 QSHQMCKTEARWQS-YVEFUNNKSA-N 377.353 -0.417 30 20 GBED N#CC(C#N)=c1sc(=Cc2ccc(-c3nn[nH]n3)o2)c(=O)n1C[C@H]1CCCO1 822801745 NSVRJPFBTLCVAM-GFCCVEGCSA-N 395.404 -0.111 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(F)cc(C(=O)OC)c2)CC1 828748419 AMUOFMLMTYGJGF-UHFFFAOYSA-N 383.401 -0.162 30 20 GBED CN1C(=O)N[C@@](C)(c2ccc(NC(=O)C(=O)N3CC[C@@](O)(CC#N)C3)cc2)C1=O 847532266 BYUNQMSETWOVAS-OALUTQOASA-N 399.407 -0.101 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NCCOC(=O)C2CC2)cc1 848940897 AMVMRNWNJZWJLG-UHFFFAOYSA-N 387.439 -0.280 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 913087310 WTOVALRZFCZJGS-UHFFFAOYSA-N 399.494 -0.248 30 20 GBED C#CCNC(=O)[C@H](C)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 931130546 PQGFVIZNBAVINS-INIZCTEOSA-N 378.498 -0.280 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1C 940384044 UPCIWWHVHDGWTR-TUVASFSCSA-N 390.440 -0.899 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@@H]1O 964489299 DJWUTHKDRIOJJL-PUPMMZHASA-N 376.413 -0.604 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(NC(C)=O)cn2)C[C@@H]1O 970711729 LPQPBXNMMDYDLA-SIXLDLHFSA-N 388.424 -0.067 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccc(OC)cn2)C1 1025212931 MYGWMXGCLVZOMD-VQHPVUNQSA-N 375.425 -0.088 30 20 GBED Cc1cc(C#N)nc(N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@@]34COC[C@@H]3C4)C2)n1 1051472372 DSKPOMRYODJFTP-OGIUKLMXSA-N 380.412 -0.169 30 20 GBED CCS(=O)(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 1092870575 ZHDONXJSWKEVJU-RDBSUJKOSA-N 378.458 -0.144 30 20 GBED N#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 1219820221 VXTKAQMOQMWLDK-VXNCWWDNSA-N 386.452 -0.045 30 20 GBED C#CCCN1CCC(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 1252256239 MMYBTDVMSOLSOB-GDBMZVCRSA-N 381.498 -0.374 30 20 GBED CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1)c1cc[nH]n1 1255984404 GXVXGWJKDUKHKH-GFCCVEGCSA-N 389.416 -0.178 30 20 GBED N#Cc1ccc(OC2CN(C(=O)C(=O)NC[C@@H]3CCS(=O)(=O)C3)C2)cc1 1321592569 ACJATOQHMPSXRP-ZDUSSCGKSA-N 377.422 -0.301 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)CN1CCCC1=O 1324138226 CQTDZLOQYSQICY-GFCCVEGCSA-N 394.453 -0.785 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CCC[C@@]23CCOC3=O)CC1 1325163860 POKNXJMXBZMENT-IBGZPJMESA-N 383.408 -0.090 30 20 GBED C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1325561536 ZUKMAWLIUCEFKG-PVEMMZBWSA-N 377.445 -0.380 30 20 GBED CN1CCN(CC2CN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)CC1 1331883322 QKYZZDWURBKTAD-UHFFFAOYSA-N 391.497 -0.458 30 20 GBED COC[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C[C@@H](C)O1 1335898162 BJKLXCGZBJUKCY-PBHICJAKSA-N 387.440 -0.136 30 20 GBED C=CCn1c(C[C@@H](O)C2CC2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 1340186733 XYORGECJKZRXCT-CQSZACIVSA-N 384.506 -0.294 30 20 GBED COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1 1340890663 PXNZYQXNGZIMQS-AWEZNQCLSA-N 377.401 -0.184 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2Cc2ccc(C)c(F)c2)CC1 1355592402 CJRPACRKSOWEEE-UHFFFAOYSA-N 393.448 -0.241 30 20 GBED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCN(C)C1 1541803578 JPEQSMOHODSKKH-CPUCHLNUSA-N 396.517 -0.015 30 20 GBED C#CCCCCCC(=O)N[C@@H]1CN(C(=O)[C@H](C)OCc2cnn[nH]2)C[C@@H]1O 1574883060 JXEDLUTXRWHEAO-IMJJTQAJSA-N 377.445 -0.019 30 20 GBED CC#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3CCCN3Cc3cnn[nH]3)CC2=O)C1 1575122861 MGJBPTHKJFSJLG-YOEHRIQHSA-N 385.472 -0.806 30 20 GBED CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1579867912 PCKKFRSGOOYCAA-CHWSQXEVSA-N 380.372 -0.510 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCCO1 1588503575 AKLGMCUUGULIGZ-SJCJKPOMSA-N 388.432 -0.305 30 20 GBED C=CCOCCCC(=O)N[C@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O 1588683224 ZPPFMGHEIHKNTR-GXTWGEPZSA-N 388.432 -0.305 30 20 GBED C=CCn1c(CCO)nnc1N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 1588703265 LOXQDQZTORQPEF-UHFFFAOYSA-N 382.432 -0.099 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2O)nc1 1602736585 ANYZXMSRSIUQHF-SWLSCSKDSA-N 391.395 -0.597 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1637370819 PYJRIDYLPBCRCO-KCPJHIHWSA-N 392.437 -0.659 30 20 GBED Cn1nncc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1767534581 RVPOAZFWTNCKQQ-IAQYHMDHSA-N 394.436 -0.201 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1781392980 IADKHWYPKSVDPS-IIYDPXPESA-N 382.417 -0.274 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cncn4)C[C@@H]32)c1 1789344104 MDIHVYBMOSAVBH-DZKIICNBSA-N 383.412 -0.229 30 20 GBED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 1795275091 SDPONUCFICBLMG-AXVVYFOYSA-N 381.432 -0.094 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@@H](N)C(N)=O 1796078005 YYOYUSBNHHSUPG-GJUCYTSISA-N 391.472 -0.924 30 20 GBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)Nc1cccnc1 1797888476 NDDGTVYSZITOHC-NRWUCQMLSA-N 378.454 -0.072 30 20 GBED CN1CCN(C2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC#N)C4)CC2)CC1 1799192403 XEEMCTUCTDRWRS-SCAQPMJSSA-N 375.473 -0.730 30 20 GBED N#CCCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1806860524 LYAQOZCRBZRCOI-KBXCAEBGSA-N 398.423 -0.057 30 20 GBED C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2)n1cncn1 1826797977 KDPKCMLCPUWSQJ-ZJUUUORDSA-N 388.409 -0.004 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)C(C)(C)C)C2)C1 1831386665 BYKXBQWLXJCSNM-QINHECLXSA-N 396.484 -0.112 30 20 GBED COCC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1834972191 CQBTUKGRZWBSSE-KDCXGNEQSA-N 379.413 -0.199 30 20 GBED COCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1834972306 GNMVCBFTAWXHNC-PYJSORCASA-N 382.461 -0.439 30 20 GBED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338665 PRTDVENROMKNGJ-SCLBCKFNSA-N 378.429 -0.742 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342534 UKPGKEIIFYOTAD-ACJLOTCBSA-N 393.444 -0.807 30 20 GBED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835346859 XNDRFCOMKBAOFQ-JNMQVBFRSA-N 390.440 -0.214 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C2)C1 1839806722 WZIITRJBYOIYGX-VQIMIIECSA-N 379.457 -0.373 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1839808761 ZFYFTFRSMXZEAL-HXUWFJFHSA-N 383.404 -0.116 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H]3CCOC3)C2)C1 1840043938 DFXJQCRLBDPQBB-HNAYVOBHSA-N 394.424 -0.653 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC[C@H]1CCOC1)CCO2 1840590027 AUAHDYQCPSIIGB-KXBFYZLASA-N 394.424 -0.653 30 20 GBED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)CN3CC(=O)NC3=O)C2)c1 1841892295 SFUNQAIATJDKDL-UHFFFAOYSA-N 381.392 -0.073 30 20 GBED CS(=O)(=O)NCCNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 45588212 SLSVEYBLSDNPSB-UHFFFAOYSA-N 382.446 -0.196 30 20 GBED C=CCN(CC(=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)[C@@H]1CCS(=O)(=O)C1 66560009 RNKGETNGOCQLQR-GFCCVEGCSA-N 398.485 -0.367 30 20 GBED Cn1c(=O)c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccccn3)cnc2n(C)c1=O 138934428 DBSCMUZLDIKBTK-LBPRGKRZSA-N 378.348 -0.012 30 20 GBED Cn1nccc1/C=c1\s/c(=C(/C#N)C(=O)N2CCOCC2)n(C2CCC2)c1=O 292363299 FZICFLSUNMQUQM-YYASDEIUSA-N 399.476 -0.270 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](O)c2cc(OC)ccc2OC)C1=O 299486338 DVDCXPATCBNXBY-CYBMUJFWSA-N 391.380 -0.170 30 20 GBED Cc1cc(NC(=O)CN2CCN(S(=O)(=O)CC3(CC#N)CC3)CC2)no1 329578032 KMBPHMGYQWYNRW-UHFFFAOYSA-N 381.458 0.563 30 20 GBED CC(C)(C#N)CNS(=O)(=O)CCCS(=O)(=O)N1CCCn2ncnc21 349545462 ABTUJBFRRZGCQK-UHFFFAOYSA-N 390.491 -0.323 30 20 GBED C=CCOc1cccnc1C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 468980991 PYJITAQJNWRPTF-UHFFFAOYSA-N 378.414 -0.089 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCCS(=O)(=O)C1 482142996 YXFSGEDIZOTHLX-YPMHNXCESA-N 385.467 -0.082 30 20 GBED COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1 491375405 OCVYUSPLAMADRK-CYBMUJFWSA-N 396.425 -0.699 30 20 GBED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@H](S(N)(=O)=O)C2)CC1 539449865 KFDTZQADWQOBGT-UONOGXRCSA-N 397.526 -0.180 30 20 GBED CC(C)NS(=O)(=O)CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 562910156 SBSWPGQBPOZMSX-UHFFFAOYSA-N 388.471 -0.719 30 20 GBED COC(=O)[C@@H](CF)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 577626947 ZKIDKGHUJATCPA-JOYOIKCWSA-N 393.418 -0.334 30 20 GBED C[C@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)CN1CCN(C)CC1 581222205 SPIKOMINYZIQFV-OAHLLOKOSA-N 393.513 -0.164 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)nn1CCC#N 600011289 HADBAMLPIOYCPJ-UHFFFAOYSA-N 394.457 -0.320 30 20 GBED N#CCCN1CCN(C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 602239586 NYFDZTHIODKHNB-SFHVURJKSA-N 395.529 -0.632 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCOc2ccc(C(=O)OC)cc2)C1=O 609409931 GNIICJMKAPMTGJ-UHFFFAOYSA-N 389.364 -0.055 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 610666835 CDGULGPUOCQSOH-UKRRQHHQSA-N 382.490 -0.221 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(S(C)(=O)=O)C2)c1 651815782 MGYGYRJAHYRZBN-ZDUSSCGKSA-N 387.483 -0.085 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCc2c(C)nc3cc(O)nn3c2C)CC1 728530691 NLEJCCQNLSPUJZ-UHFFFAOYSA-N 398.467 -0.122 30 20 GBED COc1ccc(C(=O)OCC(=O)NCC#N)cc1S(=O)(=O)N1CCOCC1 731234680 IBFJDEKMKSWGDM-UHFFFAOYSA-N 397.409 -0.487 30 20 GBED C#CCNC(=O)CN1CCN([C@@H](C(=O)OC)c2ccc(-c3nn[nH]n3)cc2)CC1 735382324 YLLRLWOGIOHSJO-QGZVFWFLSA-N 397.439 -0.552 30 20 GBED C=CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 735430125 YPVZZKQTDWLQRV-JTQLQIEISA-N 394.413 -0.621 30 20 GBED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC)n(C3CCN(C)CC3)c2=O)cn1 772302875 LJEMJPJMAJVUGM-UHFFFAOYSA-N 398.492 -0.277 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 785152140 HAOJXJWOBGLNKC-UHFFFAOYSA-N 386.452 -0.292 30 20 GBED C#C[C@@H](Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[C@@H]1CCCO1 804621995 NEZIRYPMVDBLLF-QGGMLDPDSA-N 375.385 -0.970 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)NC(N)=O)C(C)C)cc1 811831292 DUHAEERIZJNPMG-ZDUSSCGKSA-N 381.410 -0.026 30 20 GBED N#Cc1cncc(S(=O)(=O)NC(=O)CNC(=O)c2ccc3c(c2)OCO3)c1 813980263 YCUCSTABNJTESR-UHFFFAOYSA-N 388.361 -0.083 30 20 GBED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccoc2C)c1=O 840723353 WORFLRWEBSGQBV-UHFFFAOYSA-N 383.429 -0.194 30 20 GBED N#C[C@H]1CNC[C@@H]1NC(=O)CNS(=O)(=O)c1cccc(Br)c1 843461671 WCWQYEHXNWZLAO-CABZTGNLSA-N 387.259 -0.045 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 847446539 PHJOFMSAKXICJU-UHFFFAOYSA-N 398.529 -0.668 30 20 GBED C=C(Br)CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 921130799 YBUBTVRPNOJVTN-UHFFFAOYSA-N 382.218 -0.019 30 20 GBED C=CCCn1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H](C)C2)nn1 940264853 FBDPNIWBBDVAGJ-RJZRQDKASA-N 390.444 -0.536 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cn(C)nc2C)C[C@@H]1O 970707824 VYJGHEOJFFDWQK-NCOADZHNSA-N 376.457 -0.060 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccc(O)nc2)C1 1024718246 XMKMXWXGVZULJH-FPCVCCKLSA-N 375.425 -0.001 30 20 GBED C=CCN1CCC(NC(=O)C(=O)NC2CCN(S(=O)(=O)CC)CC2)CC1 1117320381 HUOIZQSDXCZNJS-UHFFFAOYSA-N 386.518 -0.317 30 20 GBED N#Cc1cncc(S(=O)(=O)NC(=O)Cn2nc3n(c2=O)CCCCC3)c1 1117723212 TWIGHPBCVHVPNO-UHFFFAOYSA-N 376.398 -0.457 30 20 GBED N#Cc1cc(CN2CCOCC2)cn(CC(=O)[C@H]2CCS(=O)(=O)C2)c1=O 1261597112 PMDKVBIQOZVHIO-AWEZNQCLSA-N 379.438 -0.444 30 20 GBED O=c1c(C=NN[C@H]2CCS(=O)(=O)C2)c(N2CCOCC2)nc2ccccn12 1317770708 ATXPUNKOOMBKOV-ZDUSSCGKSA-N 391.453 -0.358 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CCO1 1322486952 VOEHAPGXOLTWBM-GFCCVEGCSA-N 393.425 -0.444 30 20 GBED CC(C)N(CCNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(C)C 1322735598 YTXSLGDLRPYZMG-FOCLMDBBSA-N 379.461 -0.136 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN2C(=O)N(CC(C)C)C[C@H]2C1)[C@@H]1CCCO1 1323589353 ZUPSCMLPRBAUHV-PMPSAXMXSA-N 376.457 -0.112 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H]3CCOC3)CC2)cc1 1324366055 GGHSLHOUOLELAR-AWEZNQCLSA-N 392.437 -0.704 30 20 GBED COCCn1nnc2c1CCN(C(=O)C(=O)Nc1cc(C)n(CCC#N)n1)C2 1324531544 CIFJAFPGHAAISN-UHFFFAOYSA-N 386.416 -0.134 30 20 GBED C#CCCCCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1324809056 MXUCHOOVXGAZBM-OAHLLOKOSA-N 387.502 -0.195 30 20 GBED CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)CC1 1327087463 GUFLDEJCQYQGRU-KXBFYZLASA-N 375.473 -0.096 30 20 GBED C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 1328497062 NVTOLILRMIKDJS-QOHXFFFDSA-N 389.481 -0.030 30 20 GBED C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1335886476 DVLWIDMOEYJJAC-ZRBXUZRCSA-N 389.481 -0.030 30 20 GBED CNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)C1 1344786185 FDPCHTBGYBSWEC-OAHLLOKOSA-N 384.440 -0.414 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCc2cccc(S(=O)(=O)NC)c2)nn1 1345688544 HKZSDLZCCPIOEG-UHFFFAOYSA-N 392.441 -0.695 30 20 GBED COc1cccc([S@@](=O)CC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 1356118668 MYAXPFUOEHWAFH-SXBQZSJRSA-N 398.462 -0.231 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573285434 IBHSFAGBWWJDII-PBOSXPJTSA-N 382.428 -0.332 30 20 GBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC[C@H]21 1581857914 KETSZIMWQQGCDA-BXUZGUMPSA-N 383.416 -0.629 30 20 GBED C#CCNC(=O)CN1CCCC2(C1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 1588354537 PFWQCTXZKHXLPZ-UHFFFAOYSA-N 382.428 -0.518 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C[C@@H](C)N=c1cc[nH]c(-c2nn[nH]n2)n1 1588404472 HQNLWXNOLDJACK-YPMHNXCESA-N 387.448 -0.192 30 20 GBED CC#CCN1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1588747576 MWXQINADCVBTBN-UONOGXRCSA-N 389.441 -0.859 30 20 GBED N#CCCCCNC(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1592675157 SJENPLKBBCJULD-UHFFFAOYSA-N 383.416 -0.280 30 20 GBED N#Cc1cc(S(N)(=O)=O)ccc1N1CCN([C@@]2(C(=O)O)CCOC2)CC1 1601091158 RLPBGYNOBDBBIL-INIZCTEOSA-N 380.426 -0.429 30 20 GBED Cn1ncc(I)c1Cn1c(N)nc(C#N)c1-c1nn[nH]n1 1606276248 JEKUHYVYBKWVRK-UHFFFAOYSA-N 396.156 -0.097 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](C(=O)O)C[C@@H](O)C1 1609783351 MDIOYVWTNQDGFD-WCFLWFBJSA-N 381.410 -0.481 30 20 GBED C[C@@H](C#N)C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1623708112 ULOJTSZVEWJQAN-AWEZNQCLSA-N 393.469 -0.089 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NCCOCCOCC(=O)O)c1 1776181810 XJSYCVOANVCINQ-UHFFFAOYSA-N 386.426 -0.002 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)CC1 1779877445 PKQUSVBQJPYKRU-SFHVURJKSA-N 384.396 -0.677 30 20 GBED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1783901711 UVKNQKOBLCDXJC-YJBOKZPZSA-N 396.557 -0.085 30 20 GBED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785153405 DNTRIUNSWXHGGN-AJNGGQMLSA-N 390.440 -0.632 30 20 GBED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O 1793763413 LBGAYBLLQHYPJA-ZSBFGKGUSA-N 390.440 -0.679 30 20 GBED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2)n1cncn1 1801359263 PGWHYXDRGZFGJZ-ZIEJDFEHSA-N 383.412 -0.058 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CNC(=N)N)sc2C1 1814813887 MTZROVFGHTYTSM-VHSXEESVSA-N 378.458 -0.424 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1831433693 LVUXCFFCANYMJY-KBXCAEBGSA-N 383.445 -0.701 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(F)(C1)C3)CCO2 1831593605 MKLRJRAFEOLRCF-ABHNRTSZSA-N 380.372 -0.577 30 20 GBED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)CNC(=N)N)CC2)CC1 1833490333 KAPMVKXVCAUEGX-MRXNPFEDSA-N 398.577 -0.005 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2 1833830572 FTYWRYBGLMPVAP-QGZVFWFLSA-N 375.385 -0.444 30 20 GBED CC(C)(C#N)C(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1 1835698255 IGWKPGXTOHGQAR-UHFFFAOYSA-N 388.472 -0.016 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN(C)C)C2)C1 1837396608 GXAZXYKEFVGXIC-OXQOHEQNSA-N 397.516 -0.032 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1839838221 DTAFAOFNRUPIJI-SUNYJGFJSA-N 381.429 -0.237 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839882869 BOCDIIHWNYTXPM-DNVCBOLYSA-N 395.456 -0.993 30 20 GBED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 16634987 WGZUCJCDUSMZSW-UHFFFAOYSA-N 391.453 -0.124 30 20 GBED C#Cc1cccc(NC(=O)CN(C)[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 53206165 CVXHMNRXZZKNKV-GFCCVEGCSA-N 397.435 -0.211 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)CC1 264921984 PZKGMOKTZDWYHB-RDTXWAMCSA-N 378.498 -0.276 30 20 GBED N#Cc1cc(F)c(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(F)c1 268010056 ZEOMMTYBMAABBY-UHFFFAOYSA-N 392.362 -0.020 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCNC(=O)c2ccn[nH]2)cc1 272542465 DBHPUJOYBYYKCH-UHFFFAOYSA-N 390.425 -0.239 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C2CC2)[C@@H](COC)C(=O)OCC)C1=O 276696300 SSYGHDNOKDXSMH-LBPRGKRZSA-N 381.385 -0.468 30 20 GBED CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 288062354 FLBXFHNVJGTSQP-OAHLLOKOSA-N 384.440 -0.271 30 20 GBED C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)OCC)cc1 290014897 JMPBDTFKLXMHJO-AAEUAGOBSA-N 377.397 -0.030 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C/C(O)=N/[C@@](C)(C#N)C1CC1)C2 329832160 KVLZCOCYFKQXMN-KRWDZBQOSA-N 375.433 -0.403 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)C[C@H]1C 349514150 ZFSBQFKHHIVBHP-ZIAGYGMSSA-N 380.536 -0.094 30 20 GBED CNS(=O)(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 364310920 VCZKYWXEZMLFRY-CVEARBPZSA-N 385.534 -0.308 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C[C@H](CO)O1 410586006 CDLNFCFKQBWGHT-BPQIPLTHSA-N 386.452 -0.169 30 20 GBED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCC#N)c2)CC1 427863430 BHFPLQXUTPNXOS-UHFFFAOYSA-N 393.469 -0.019 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 440296377 YDZHJKACAJOZIA-GFCCVEGCSA-N 396.425 -0.589 30 20 GBED COC(=O)CCCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 520428827 BDGTUBCTXVGFTF-UHFFFAOYSA-N 375.428 -0.280 30 20 GBED CC(=O)NC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCO1 524005094 ULVMNECMWAFLEA-HNNXBMFYSA-N 394.453 -0.144 30 20 GBED CS(=O)(=O)N1CCC(NC(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 550567897 DZGNDUOOVLIZFR-UHFFFAOYSA-N 376.438 -0.012 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](CS(N)(=O)=O)C2)CC1 553179887 LTOQSLIXIYFJOB-CVEARBPZSA-N 385.534 -0.321 30 20 GBED CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 565229817 OEGPFYPEFIHLBJ-MFKMUULPSA-N 393.512 -0.121 30 20 GBED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 570499271 SFSUEFJJKMYFCI-CQSZACIVSA-N 385.424 -0.072 30 20 GBED CCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)CC1=O 580095366 QYMMCBJZPSJYRK-UHFFFAOYSA-N 386.455 -0.659 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 591929923 BFRZCBFJUCNMDM-OAHLLOKOSA-N 397.413 -0.067 30 20 GBED N#Cc1ccc(O[C@H]2CCN(C(=O)NCCOCCS(N)(=O)=O)C2)nc1 596623130 QVLPDHBYMHGNNB-ZDUSSCGKSA-N 383.430 -0.579 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)s1 619547231 NEYPHSNOJYZISK-UHFFFAOYSA-N 396.450 -0.398 30 20 GBED CC1CCC(NS(=O)(=O)CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)CC1 736243627 XIAVNNDAQNATJG-UHFFFAOYSA-N 393.433 -0.102 30 20 GBED C#CCNC(=O)C1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 747737008 TYRYZMGVHCXACX-UHFFFAOYSA-N 389.433 -0.181 30 20 GBED CCc1ccc2c(c1)C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)N2 771896572 CSCYVNLUCIVBAF-UHFFFAOYSA-N 391.409 -0.719 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC3(CC2)CCN(C)C3=O)c1=O 773329346 SCCGGOHKGVMYFC-UHFFFAOYSA-N 389.456 -0.555 30 20 GBED C[C@H](CN(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1nn[nH]n1 773997203 BLPFECWIYSXKGX-SNVBAGLBSA-N 377.430 -0.110 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](C3(C)OCCO3)C2)c1=O 784035213 CSGQRIRBJCPTMN-HNNXBMFYSA-N 392.456 -0.024 30 20 GBED C#CCN1CCN(C(=O)CN2CCC(C(=O)OCC)(S(C)(=O)=O)CC2)CC1 796570674 KIJBVVLLHJWINF-UHFFFAOYSA-N 399.513 -0.794 30 20 GBED CN(C)S(=O)(=O)CCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 812390180 CPOLMNRRLBCCNW-UHFFFAOYSA-N 388.471 -0.877 30 20 GBED Cn1cc(C[C@H](CO)CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cn1 819666200 JHUWTNXWSWPVEL-ZDUSSCGKSA-N 391.453 -0.574 30 20 GBED C#CCNS(=O)(=O)N1CCN(CCOc2cccc(-c3nn[nH]n3)c2)CC1 823850155 KLPIKIUMTKHXBY-UHFFFAOYSA-N 391.457 -0.669 30 20 GBED Cn1c(N)c(C=NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c(=O)n(C)c1=O 826355726 LAJRUDLUCIYROP-UHFFFAOYSA-N 376.768 -0.659 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(CNC(=O)C=C)cc2)CC1 831556472 OMPQCILCNUWJOP-UHFFFAOYSA-N 390.465 -0.286 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CSc2nnc(S)s2)CC1 831564758 GLRHOJTXEPAQLG-UHFFFAOYSA-N 393.541 -0.469 30 20 GBED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cnn(C)c2)c1=O 837522023 ZZSACLOZJFUWKJ-LBPRGKRZSA-N 389.481 -0.293 30 20 GBED N#C[C@@H]1CNC[C@H]1NC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 843460553 HUHMTTSLLALVID-BXUZGUMPSA-N 384.483 -0.326 30 20 GBED COC(=O)CNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 856693550 GJSIELMXHPTISM-NSHDSACASA-N 397.409 -0.287 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCC2([S@@](C)=O)CCC2)CC1 894587944 JUCIWABGAQTFTO-HSZRJFAPSA-N 376.504 -0.918 30 20 GBED C=CCNC(=O)CN1C[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@]2(C)C1 1101304976 CWNBXQQCFVCBPY-DICRZQGBSA-N 392.500 -0.118 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CCO1 1117858564 MQRXEMHUTKGVSX-HOTGVXAUSA-N 387.392 -0.141 30 20 GBED COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C#N)cc1F 1195661709 WBEMEHGNXLNVDH-LLVKDONJSA-N 376.387 -0.342 30 20 GBED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NCC2(CC#N)CC2)cn1 1256429728 ZZMPKZHBMJXBPN-UHFFFAOYSA-N 375.433 -0.691 30 20 GBED N#CCOc1cccc(CNC(=O)N2CCN(CCS(N)(=O)=O)CC2)c1 1256588470 PDBVAAYGLZLRBQ-UHFFFAOYSA-N 381.458 -0.295 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 1322097739 GRNRVIFAYZTXML-HNNXBMFYSA-N 386.518 -0.317 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)C1 1326049904 XYFBGHTWNBMSJQ-YJYMSZOUSA-N 384.392 -0.293 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCN2CC=CC2)cc1 1329220024 NEKTVWKVWFXATG-UHFFFAOYSA-N 384.483 -0.019 30 20 GBED CN(CCOCCNC(=O)OC(C)(C)C)C(=O)C(=O)N1CCO[C@H](C#N)C1 1331379986 KJZQUXUZRPDFBC-CYBMUJFWSA-N 384.433 -0.263 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC(C(=O)NCCOC)CC2)nn1 1332058123 KIQTYYFXWHJHKJ-UHFFFAOYSA-N 378.433 -0.919 30 20 GBED C=CC[C@H]1CCCN(C(=O)C(=O)N2CCCN(C(=O)CNC(C)=O)CC2)C1 1335087497 ZOMHYVLTDKLJND-INIZCTEOSA-N 378.473 -0.002 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(N)=O)c2ccc(Cl)cc2)C1=O 1337775815 CWFQGSZZLOYUKY-LBPRGKRZSA-N 378.772 -0.041 30 20 GBED CN(CCC(=O)OC(C)(C)C)C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1346277482 PHEPYYYCKQBEGD-PFONDFGASA-N 394.428 -0.181 30 20 GBED CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCS(=O)(=O)N(C)C 1508407395 QSKZBORDOUCHIN-LBPRGKRZSA-N 385.494 -0.096 30 20 GBED C=CCOCCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O 1573349142 ZHPPPHKSVAYYPI-TZMCWYRMSA-N 388.432 -0.305 30 20 GBED C[C@H](C#N)C(=O)NC[C@@H]1CCC2(CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)O1 1573576560 HMMPWWNJVWWPBT-PWSUYJOCSA-N 384.400 -0.156 30 20 GBED C#Cc1cncc(C(=O)N(C)C[C@H](O)CNc2cncc(-c3nn[nH]n3)n2)c1 1588376923 MNHJNBBCENOLFV-CYBMUJFWSA-N 379.384 -0.422 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2O)c1 1588380149 VHBNGMIXOSQHDR-CABCVRRESA-N 392.379 -0.814 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)O)cc(C)c2F)CC1 1602725231 RHVIQPFZTMKANG-UHFFFAOYSA-N 397.428 -0.112 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCOC1 1611712030 WYOSFRWWMMXIRG-RWMBFGLXSA-N 384.462 -0.346 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1778949710 DDTTUOHHVXQMQV-CLCXKQKWSA-N 394.472 -0.438 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1782410306 JYUFTYWGNAXNLS-FQEVSTJZSA-N 397.387 -0.287 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)NC)C[C@@H]21 1788570509 XDJXGBCSLJWMCQ-AJNGGQMLSA-N 381.473 -0.325 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)CC 1793314413 QGRLBEHWNRZUJP-YWVIFJGQSA-N 390.527 -0.070 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)CNC(C)=O)C2 1793340435 WIEQRYYVIQTPCS-MXASKKJJSA-N 393.484 -0.223 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSCC(=O)O)C2 1793360382 LERNWCHRJHAJDW-NFFDBFGFSA-N 386.470 -0.015 30 20 GBED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2)[C@H]1SC(=N)NC1=O 1796423820 WLPJUAATWLVOLJ-UWHIDBLNSA-N 379.442 -0.708 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)NCC 1797694178 FDHUAKPJAUTESD-DGXTUMSLSA-N 396.488 -0.125 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)[C@H](O)C=C 1797713729 XLDVOMADYONMGP-OWVAZHOYSA-N 393.484 -0.160 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C(\C)NC(C)=O 1800170507 HYBCKVDIVVAGCI-WESBLBMJSA-N 377.441 -0.346 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831274994 PZNMEXGNFYSULL-LIRRHRJNSA-N 397.472 -0.848 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCNC)C2)C1 1831393989 SWNOKVTXQIBKSU-VQIMIIECSA-N 381.473 -0.519 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1831499427 SJKIURZASIVXMK-XJKSGUPXSA-N 388.490 -0.935 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1834758675 UMKXOQZLXSYCSS-APWZRJJASA-N 387.440 -0.158 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(NC(C)=O)n3)C2)C1 1839807394 XPAOHSMHGQDABD-IBGZPJMESA-N 386.408 -0.257 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1 1839840205 AFWBCIMUSFUWIX-KHYOSLBOSA-N 397.472 -0.282 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839863790 HEWQZEPYDBGUHM-KUHUBIRLSA-N 397.472 -0.719 30 20 GBED COc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cn1 1840158145 GRDZMGSJZVUHLL-SJCJKPOMSA-N 396.469 -0.127 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1840166206 XYDPZMMNRUPYEB-ACJLOTCBSA-N 395.481 -0.018 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CS(N)(=O)=O)CC2)cc1 264097875 FNEQOAGTGOHTMG-UHFFFAOYSA-N 399.494 -0.261 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CCN3CCCC3)CC2)C1=O 265030576 VAKFLZLHONTPRM-UHFFFAOYSA-N 377.445 -0.797 30 20 GBED N#Cc1cccc(CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)c1 284080410 SAKRYWUGTGFOEW-UHFFFAOYSA-N 396.494 -0.331 30 20 GBED CC(C)(C)OC(=O)N1CCN(/C(N)=N/CCN2CCCS2(=O)=O)CC1 303971986 FHHYOMUSCKVFON-UHFFFAOYSA-N 375.495 -0.111 30 20 GBED N/C(=N/CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NCCCN1CCOCC1 304938152 LBTAZGWYUSTMCX-VGWMRTNUSA-N 375.473 -0.580 30 20 GBED CS(=O)(=O)[C@@H]1CCN(/C(O)=N/[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 329418397 DQJYXSZOJCDUCS-DGCLKSJQSA-N 379.504 -0.024 30 20 GBED COCc1nc2n(n1)C[C@@H](N/C(O)=N/CCC(=O)N1CCN(C)CC1)CC2 329768446 GQAVFHLKYROJIP-ZDUSSCGKSA-N 379.465 -0.593 30 20 GBED CCS(=O)(=O)N(C)CCC/N=C(/O)N[C@@H]1CCCN(S(C)(=O)=O)C1 330437812 OADOVEQPXKKFDY-GFCCVEGCSA-N 384.524 -0.414 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)CC[C@H]2C1 349527779 WKDLVXVGNZAPGV-ZDUSSCGKSA-N 392.503 -0.812 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 349552125 JNDOLBSTTYPZOM-KGLIPLIRSA-N 395.503 -0.581 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCCS(=O)(=O)N[C@@H]1CCOC1 349564630 KOHKZSUYZXLPOV-CHWSQXEVSA-N 397.544 -0.254 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)CCO1 409563971 UTLDPVYBJNSJHT-OAHLLOKOSA-N 396.444 -0.018 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 410133581 ITKMWMIHLTXWQS-OLZOCXBDSA-N 382.508 -0.599 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@@](O)(C4CC4)C3)CC2)c1C#N 410786703 DRKORDZCODMRLI-IBGZPJMESA-N 386.456 -0.378 30 20 GBED CCOC(=O)c1c(NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)c(C#N)cn1CC 421210512 QQAHXFGGBRQKQM-JTQLQIEISA-N 375.385 -0.158 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@H]2CN3)C[C@@]12C(=O)Nc1ccccc12 423723596 LTZPREJGKHIUQP-PCRRDVQSSA-N 379.420 -0.179 30 20 GBED N#C[C@@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CCO1 436137713 SPEVGAADMKVXMH-OAHLLOKOSA-N 394.453 -0.130 30 20 GBED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccsc2)c(=O)n1CC(N)=O 547962240 HDCTXMPILGGAOH-NSHDSACASA-N 389.458 -0.435 30 20 GBED CS(=O)(=O)N1CC[C@@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)C1 566327156 PHVUMKKZLLXMSM-CQSZACIVSA-N 378.458 -0.181 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2CO)c1 570583044 RQNDYOUVZAXJNC-ZDUSSCGKSA-N 398.466 -0.130 30 20 GBED C=CCOC[C@H](NC(=O)CNS(=O)(=O)c1c(C)noc1C)C(=O)OC 584811643 AGBIGGBANKAYAM-NSHDSACASA-N 375.403 -0.570 30 20 GBED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 589401425 RXXXHTDXURUEGU-UHFFFAOYSA-N 389.387 -0.167 30 20 GBED CC(=O)NCCN(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 592338723 AFTULLFSCJZVNR-INIZCTEOSA-N 385.424 -0.236 30 20 GBED CCOC(=O)C[C@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 597677445 NBNFPERKRVXSIA-DGCLKSJQSA-N 383.426 -0.345 30 20 GBED Cn1c(=O)nc(O)c2cc(S(=O)(=O)Nc3ccn(CCC#N)n3)cnc21 609793878 YSDKWXQJRAFUKC-UHFFFAOYSA-N 375.370 -0.055 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NCCCNS(C)(=O)=O)c1 614602202 UNWQDHLOXUTOBW-UHFFFAOYSA-N 375.472 -0.180 30 20 GBED Cn1c(S)nnc1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 729277064 SFUWBVQGIZMRKU-UHFFFAOYSA-N 380.455 -0.151 30 20 GBED Cn1cnc2c1c(=O)n(CC(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1)c(=O)n2C 734566713 DWFAWENUGDZBSZ-CQSZACIVSA-N 396.363 -0.925 30 20 GBED N#Cc1ccc(-n2[nH]c(C(=O)O)c(CCOC(=O)[C@H]3CNC(=O)C3)c2=O)cc1 739101176 CLUCNYXOLNZVMQ-LLVKDONJSA-N 384.348 -0.043 30 20 GBED C=C[C@@](C)(CCOC)C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 782443419 KAOJDSYZZDMQQC-ABAIWWIYSA-N 376.431 -0.229 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCNC(=O)[C@H]1CC(=O)O 827756372 ZMRCGHUCQRAWBL-GXFFZTMASA-N 394.409 -0.973 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OC)C[C@@H](O)C2)c1 844109770 HUSBFEHPIWJWGO-UONOGXRCSA-N 380.422 -0.406 30 20 GBED C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1nc2n(n1)CCCC2 848965667 UOECSOPKVNKNLU-NSHDSACASA-N 375.476 -0.313 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc(C(N)=O)c[nH]2)[C@H](OC)C1 946451098 UNKORXGVMLLZOP-REBRKWNGSA-N 376.413 -0.340 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1OC 946819516 AYQDKKZHYRHPHB-GUIRCDHDSA-N 377.397 -0.075 30 20 GBED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CCn2cc[nH]c(=O)c2=O)n1 1092989611 IFIDHUFTTVUMQD-UPJWGTAASA-N 381.396 -0.486 30 20 GBED CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)ncc1C#N 1093030169 UFFITFXSQWYPNY-MCIONIFRSA-N 378.458 -0.459 30 20 GBED C=CCN(CC=C)C(=O)CN1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1116351102 YZWKPDPCSLJFOY-INIZCTEOSA-N 398.529 -0.892 30 20 GBED COCCn1cc(C=c2sc(=C(C#N)C#N)n(Cc3ccon3)c2=O)cn1 1253086082 KNLCUXCBUZTMBA-UHFFFAOYSA-N 382.405 -0.184 30 20 GBED N#CCN1CCC(NC(=O)C(=O)NCC(=O)N2CCc3ccccc3C2)CC1 1322405197 KTFGKICWYAWNRS-UHFFFAOYSA-N 383.452 -0.208 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCO[C@@H](C(F)(F)F)C1 1322696134 UBAMCAHHUPGDJK-ZOAHYWAASA-N 390.318 -0.581 30 20 GBED C#CCSCCNC(=O)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1323357585 VVAVRATWQRDJFT-UHFFFAOYSA-N 399.450 -0.033 30 20 GBED CCN(CCS(C)(=O)=O)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 1325892486 MNTXKGICKIVPSK-UHFFFAOYSA-N 390.425 -0.029 30 20 GBED C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)C1 1327291823 LILZWPCDYGXVHL-OAHLLOKOSA-N 378.473 -0.004 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O 1327389540 XZWGBPBVTOZPQG-HNNXBMFYSA-N 393.465 -0.379 30 20 GBED CN1CCC(N2CC[C@@H](N(C)C(=O)C(=O)N3CC[C@](O)(CC#N)C3)C2)CC1 1328424311 AFDOWQJBKVMIKT-VQIMIIECSA-N 377.489 -0.510 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(C)(c2nc(C)no2)CC1 1329798752 BVDGXYNNERSQBN-UHFFFAOYSA-N 384.458 -0.025 30 20 GBED C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOC2)CC1 1345650142 IUXKTHYWQJVVLU-GJZGRUSLSA-N 396.517 -0.320 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 1345856737 BDLQZPKPOZNWQL-BFUOFWGJSA-N 385.424 -0.643 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[nH]n4)n3)C[C@H]2O)cc1 1573290596 MIPMAFIDTBECOJ-HZPDHXFCSA-N 390.407 -0.074 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc(-c2cnn[nH]2)cn1 1575004550 GATBRHWBZZVOFO-UNEWFSDZSA-N 379.424 -0.049 30 20 GBED C#CCNC(=O)CC(=O)NC1(CNC(=O)CCCc2cnn[nH]2)CCOCC1 1575004837 NFNJFWKVSJYOQE-UHFFFAOYSA-N 390.444 -0.952 30 20 GBED N#CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)C[C@H]2CCOC2)CC1 1577706751 RZUPEEOJBHZQKF-CQSZACIVSA-N 389.460 -0.336 30 20 GBED N#Cc1cccc(N2CCN(S(=O)(=O)NCc3cnn[nH]3)CC2)c1[N+](=O)[O-] 1577718020 WBDNXLWIOIEHGU-UHFFFAOYSA-N 392.401 -0.259 30 20 GBED O=C(C#CC1CC1)N[C@H]1CC(=O)N(C2CN(C(=O)CCCc3cnn[nH]3)C2)C1 1577745558 HDXQFJXYTRKKGG-HNNXBMFYSA-N 384.440 -0.531 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 1588357938 QTTXWOXDIXQDMY-SJKOYZFVSA-N 386.416 -0.594 30 20 GBED C#CCN(C(=O)[C@H]1C[C@H]1C(=O)O)C1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)OC)CC1 1588461295 KXGUCVBMYAKELV-YJNKXOJESA-N 376.409 -0.031 30 20 GBED N#Cc1ccc(N2C[C@@H](C(=O)NCCc3nnc4n3CCNC4=O)CC2=O)cc1 1596014809 QGRWWCQWCPEPMV-ZDUSSCGKSA-N 393.407 -0.395 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(N2CC[C@](O)(CNC(=O)CSCC#N)C2)n1 1605560406 ZBMBJNJWSGDGKR-HNNXBMFYSA-N 389.445 -0.721 30 20 GBED N#CC1(C(=O)O)CCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 1608174538 PZJAANPMHXUWGX-UHFFFAOYSA-N 392.437 -0.087 30 20 GBED N#CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 1609495482 QPEGLYODVSUMKU-UHFFFAOYSA-N 390.429 -0.204 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)C1 1627463672 DRINYCIJAKHNRI-UKRRQHHQSA-N 387.845 -0.144 30 20 GBED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C(O)O)CCO3)ccc1F 1781294730 OLFRJHFINRPSBZ-GOSISDBHSA-N 377.372 -0.620 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783152001 QKKJYYPHTXSIHP-GOSISDBHSA-N 381.429 -0.409 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1783563815 AMYSDVZOZFYWLX-SFHVURJKSA-N 383.364 -0.739 30 20 GBED C[C@@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1783901710 UVKNQKOBLCDXJC-QAPCUYQASA-N 396.557 -0.085 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)c3ccccc3)[C@H]2C1 1786671381 AWQRCFFGSUYUQS-IUVQAAGXSA-N 386.404 -0.212 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786704445 RBHHEQATKWIZNI-ABHRYQDASA-N 382.417 -0.666 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOCC3)[C@H]2C1 1786721236 WDOYQTDKRCGFMT-XSLAGTTESA-N 395.500 -0.111 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)C[C@@H]21 1790791606 IQTPICGDMFWYNV-JNLQPACOSA-N 378.454 -0.598 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C)COC1)C2 1792484802 SWYSNPYWBGSDKE-ZXVJPIRHSA-N 377.441 -0.529 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1nnc(C)o1 1795787846 JPXRDNBFSXBYCV-DPYKFYPSSA-N 376.413 -0.452 30 20 GBED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1797865573 FMNAOYINWPNTEG-JFILPPLUSA-N 386.412 -0.902 30 20 GBED CC(C)CNC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798693628 YJSVAHMVEAKRMJ-MIFYACCESA-N 387.440 -0.138 30 20 GBED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1)C(F)(F)F 1800529687 WCDYIJSGWKAQDB-HNCHTBHHSA-N 375.347 -0.169 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)N1CCCC1)C2 1800773442 DLLLMFUSPODMAC-HBCWATKFSA-N 391.424 -0.933 30 20 GBED CS(=O)(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801982837 UTMQAGLKLRYPIB-AGGWBTHJSA-N 383.470 -0.295 30 20 GBED Cc1nn[nH]c1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1807806695 WPAFOYTZHMLARK-CXAGYDPISA-N 382.380 -0.084 30 20 GBED CN(C)C(=O)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1823882276 NDFOXYLLJCFIQS-HNNXBMFYSA-N 392.456 -0.035 30 20 GBED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CNC(=O)O2)CC1 1831665092 SIEGFSQJQIFDQJ-KBPBESRZSA-N 377.397 -0.198 30 20 GBED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1837672375 IGBGTNOPHJVQBN-KSSFIOAISA-N 380.445 -0.339 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1839808373 PBARIBIECSBCJJ-SFHVURJKSA-N 376.413 -0.767 30 20 GBED N=C1NCCN1CC(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1842909336 NRZIXHOHUKELHA-CTJICSLTSA-N 392.460 -0.441 30 20 GBED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843233874 MPAJXXHUVAQSSL-LLVKDONJSA-N 387.400 -0.779 30 20 GBED O=C(/C=N/N1CCCCC1)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844296019 FIPIZYTWIGZFAS-NNIWKIFQSA-N 393.488 -0.688 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1CCOC 255294738 FAYNKRCUWNTYIV-UHFFFAOYSA-N 387.461 -0.048 30 20 GBED N#C[C@@H]1COCCN1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 266871577 QGNHDJVFLBLCON-OAHLLOKOSA-N 394.453 -0.130 30 20 GBED C/N=C(/NCCN1CCOCC1)NC[C@H](O)CS(=O)(=O)c1cccs1 269938599 ZGTPGFZVOGMOBI-ZDUSSCGKSA-N 390.531 -0.620 30 20 GBED N#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@H](C1)C2(F)F 349522617 KMBVJZSEPXVKEH-QWRGUYRKSA-N 382.414 -0.418 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 349554767 NBTLMUBSFURRCB-CHWSQXEVSA-N 381.476 -0.923 30 20 GBED Cn1c(=O)c2cc(NC(=O)C(=O)NCC#Cc3ccccc3)cnc2n(C)c1=O 490162500 FPMWOUJCBWTBKE-UHFFFAOYSA-N 391.387 -0.261 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCn2nccc21 570294775 VNVWZWOPMLALOM-GFCCVEGCSA-N 375.476 -0.156 30 20 GBED CN(C)C(=O)Cn1cnc(NC(=O)N2CCN(c3cnccc3C#N)CC2)n1 574983178 IJCFXXWQNHMNIO-UHFFFAOYSA-N 383.416 -0.013 30 20 GBED CN(C)C(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 577004407 HKAAYCIVDUILAQ-UHFFFAOYSA-N 399.454 -0.909 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1[C@H]2CC[C@H]1[C@H](CO)C2 579734128 JHVBRCJJVKBYGK-AVGNSLFASA-N 379.504 -0.227 30 20 GBED C=CCn1cc(CNC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nn1 582238284 XHVGPCRBGUILRA-HNNXBMFYSA-N 398.489 -0.200 30 20 GBED C[C@@H](NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[C@H]1CN(C)CCO1 589139363 WATUKXLJIPFWEQ-GDBMZVCRSA-N 386.456 -0.563 30 20 GBED C=CCNC(=O)CNC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 626378790 BCUOGMQMKKXWLV-UHFFFAOYSA-N 387.483 -0.075 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(C[C@H]3CCCO3)CC2)C1=O 733158961 VDBZMYQQVNFIJQ-CQSZACIVSA-N 378.429 -0.277 30 20 GBED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)O)c1 739727102 DRNLJPZCOJPXGL-PDGQHHTCSA-N 382.398 -0.361 30 20 GBED C#CCN=c1nc(N2CC[C@](O)(CC#N)C2)[nH]c(N2CC[C@](O)(CC#N)C2)n1 826623590 GNFBTSVTIIXWQX-QZTJIDSGSA-N 382.428 -0.952 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CCC[C@@]23CCOC3=O)CC1 848957183 GBBRXTOJOCCTPG-AWEZNQCLSA-N 391.471 -0.537 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 893412230 KTZOQWAODQADDV-HNNXBMFYSA-N 389.547 -0.782 30 20 GBED CCOCCCNC(=O)[C@H](C#N)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 916867248 ADYMRAAYXXKAFU-GFCCVEGCSA-N 387.396 -0.503 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1OC 946818807 OINBXYRRRNOVQY-APIJFGDWSA-N 380.445 -0.665 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cnnn1 960004830 YDNGJNPHJOFOIR-MPTYRVRUSA-N 390.444 -0.517 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@@H]1O 964475803 DLBPZDCSIWYXOV-ATGSNQNLSA-N 376.413 -0.604 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@@H]1O 964615069 FCBWZCMXDPSFED-RZFFKMDDSA-N 376.413 -0.604 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)C[C@@H]1O 964615096 FYRISCGOOHKHQV-WCVJEAGWSA-N 388.424 -0.537 30 20 GBED C=CCCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1 970846502 NOACKDOCWDJUCH-UVQHHTHUSA-N 375.429 -0.277 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C2CC(=O)NC(=O)C2)nc1 998366545 GMDRNDFHESADOK-KBMXLJTQSA-N 380.404 -0.023 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C[C@@H]2NC(=O)NC2=O)cn1 1003668389 HVTPCYDLPDAYIH-KBXIAJHMSA-N 381.392 -0.477 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 1025317449 FYHRDJZKGYHMKE-XZDPQHSOSA-N 390.440 -0.214 30 20 GBED CN1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nn2)S1(=O)=O 1055462087 SFSOKAYYNRULMT-MQYQWHSLSA-N 376.442 -0.392 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(CC(=O)N2CCN(C(C)=O)CC2)[C@@H]1C 1088868683 SZTXXWMJRPSFIJ-BGTYHANMSA-N 392.500 -0.153 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1coc(S(N)(=O)=O)c1 1109461340 XQDUMNLDDKUTLI-AGIUHOORSA-N 382.442 -0.436 30 20 GBED C=CCN(C(=O)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)[C@H](C)COC 1118639886 UFXMWCAKXWZBSO-FHSNZYRGSA-N 380.445 -0.127 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)c2cc(Cl)ccn2)CC1 1325904541 VKYCUCWVPYIBFY-UHFFFAOYSA-N 377.832 -0.642 30 20 GBED C=CCNC(=O)Cn1nnnc1N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1334634912 DKAQSJBHJRTRFE-WDEREUQCSA-N 387.366 -0.178 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCc1ccc(OCC#N)cc1 1350726109 HRQFSHYIIURESX-ZIAGYGMSSA-N 381.410 -0.867 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)O)C1 1573369306 XSODGLAIFJVKFL-VXGBXAGGSA-N 397.457 -0.607 30 20 GBED N#Cc1cccnc1N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1581876023 BISIAFHGBWRNNN-KRWDZBQOSA-N 379.384 -0.167 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O 1588358404 WTYCMQQGEFAFIF-HFBAOOFYSA-N 388.403 -0.295 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@@H]1O 1588504221 JSGJVOJQDIOOOG-RVKKMQEKSA-N 390.419 -0.006 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](O)CNc1nc(C)cc(-c2nn[nH]n2)n1 1602770059 SRVATCDFKVLHIJ-DYEKYZERSA-N 388.432 -0.165 30 20 GBED C=CCOCC(=O)N[C@@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1602868610 QZCLVQUPZWYKJZ-KRWDZBQOSA-N 389.416 -0.519 30 20 GBED C=CCOC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)C(=O)O 1602913038 HARIRJZNEFIKFT-LLVKDONJSA-N 388.398 -0.314 30 20 GBED Cc1nn(C)c(N2CCN([C@H](C)C(=O)NC3(C#N)CCC3)CC2)c1-c1nn[nH]n1 1606109980 GEWMQBARHYQUSI-CYBMUJFWSA-N 398.475 -0.018 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCC(=O)NC3)CCO2)C1 1778965121 NJPXTDAKZLTEMA-AVYPCKFXSA-N 393.484 -0.084 30 20 GBED NC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779141027 NIAJPYGVAJVMAR-RZWALYHJSA-N 377.401 -0.803 30 20 GBED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(O)O)[C@H]3C2)c1 1783864917 MNPSTDLQUDWLOH-ULQDDVLXSA-N 387.436 -0.219 30 20 GBED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1783894157 IDKRHCRWKDJXAX-ZBEGNZNMSA-N 382.442 -0.291 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC)NC)[C@H]2C1 1786964235 DQSOPRHZQABHGF-GSBMDQOXSA-N 392.500 -0.178 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4[nH]ncc4c3)C[C@@H]21 1791076887 OKCKETUKJIFPEY-CQDKDKBSSA-N 397.391 -0.361 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1cccn1C)C2 1793347055 WSULICDUAKZCTG-MPTYRVRUSA-N 387.436 -0.164 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)[C@@H](C)CC 1793391624 QTKBUGOLOKZAQQ-FVMXBRIOSA-N 393.484 -0.159 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795577849 PHXIKOQOKJBOGT-YWVIFJGQSA-N 381.502 -0.665 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1 1795891358 LDVZZIAVYIAJPS-HLPPOEQASA-N 377.445 -0.559 30 20 GBED CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1800533962 YZJBGLUKCXNDDX-QBVNIRQQSA-N 390.440 -0.187 30 20 GBED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1 1807144100 VRNVYMMSMKXVCP-LSDHHAIUSA-N 389.456 -0.320 30 20 GBED N#CCC(=O)N[C@@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825323061 FDBPZXUUAJLERQ-LLVKDONJSA-N 381.458 -0.745 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CC(N)=O)C3)C2)C1 1829660882 JTJSKPPYEFMRNN-IFXJQAMLSA-N 379.457 -0.080 30 20 GBED CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1831263687 FNUGIHGXDXZSNU-RDJZCZTQSA-N 387.502 -0.467 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1831388419 SHBUKVBZIZRTJG-XTUQQUOLSA-N 380.441 -0.748 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1831393004 SHBUKVBZIZRTJG-YIOZNXECSA-N 380.441 -0.748 30 20 GBED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(C)C)CCO2 1834937120 TUZHPUDGMWVUSG-IBGZPJMESA-N 383.489 -0.013 30 20 GBED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836139222 HSMKXLNWGGSPND-QAPCUYQASA-N 377.445 -0.053 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1840158380 KUXFMDMYTCHOHS-UGSOOPFHSA-N 395.481 -0.226 30 20 GBED CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1840200255 BJWDMCQFSSNNRX-DVOMOZLQSA-N 392.543 -0.125 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@]1(F)Cl)CCO2 1840247613 DEORITKEWZEHDL-XFBWCDHKSA-N 388.779 -0.545 30 20 GBED COC(OC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812127 AMYIASIMRPRZDE-GOSISDBHSA-N 381.429 -0.244 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1841600491 DDVPBOAUEHNORA-AWEZNQCLSA-N 399.451 -0.128 30 20 GBED COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN3CCO[C@@H](C#N)C3)C2=O)cc1 269399187 CGAFULXTYOOTHB-KSSFIOAISA-N 387.396 -0.282 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NC[C@H]1CCc2nnc(C)n2C1)c1cc[nH]n1 278076673 WOQPLHKYILXOKN-QGEJRGBOSA-N 389.416 -0.028 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 281896837 WVBKGNZSIYSJMK-CVEARBPZSA-N 394.472 -0.320 30 20 GBED C=C[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C=C)CO)cc1 290130632 LREPYPDBWRRBIN-VXGBXAGGSA-N 376.456 -0.663 30 20 GBED CN1CCOC[C@@H]1C(=O)N1CCSC[C@@H]1C/N=C(/O)[C@H]1COCCN1C 329001945 HANASJQPKQTJAD-RRFJBIMHSA-N 386.518 -0.452 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCn2cnnc2[C@@H]1C 349466307 ZJKTZMNJHJTQIJ-LBPRGKRZSA-N 390.491 -0.450 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCSC2)n1 349550220 IDBFEEQWQJKSNK-NSHDSACASA-N 393.516 -0.152 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCNC(=O)[C@@H]1C 349592099 PEMWBKPVJZJQDO-RYUDHWBXSA-N 380.492 -0.910 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](c2nn[nH]n2)C1 366294276 BSFIDWZTYDHTDM-MFKMUULPSA-N 391.413 -0.662 30 20 GBED CN(C)S(=O)(=O)c1ccccc1CNS(=O)(=O)N1CCO[C@H](C#N)C1 409540258 AAUCPHORUKRLTO-CYBMUJFWSA-N 388.471 -0.504 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CCN([C@H]3CCNC3)CC2)CC1 423055606 DMNIBAUYZRSOGW-SFHVURJKSA-N 396.495 -0.287 30 20 GBED CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccn(CCC#N)n1 507636899 AAIYPHISCSCQLM-QWHCGFSZSA-N 396.473 -0.041 30 20 GBED COCCN(CCOC)C1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 511358532 FZQQGGOHWLGSBZ-INIZCTEOSA-N 390.506 -0.485 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F 539688534 GOKPYAJDNBCKFW-UHFFFAOYSA-N 386.405 -0.567 30 20 GBED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 555249271 JAZJKBLIQUEDCH-OAHLLOKOSA-N 381.440 -0.013 30 20 GBED C=CCCCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 570822901 KKFLBEUMPVUMKX-AWEZNQCLSA-N 375.491 -0.032 30 20 GBED CCOC(=O)Cn1cnc(NC(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)n1 591874101 ZUUZYAKSGNBGIR-AWEZNQCLSA-N 382.380 0.455 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@@H](C)[C@@H](CO)C3)CC2)c1C#N 598682346 CMHQBAYKXLGPOK-UKRRQHHQSA-N 388.472 -0.274 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1 646952577 CNPANESHUPLUBM-CQSZACIVSA-N 397.453 -0.560 30 20 GBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N2CCN(C(=O)OCC)CC2)CC1 728570820 NQQVXWCLGWAXAF-MRXNPFEDSA-N 393.488 -0.957 30 20 GBED C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cn1 728813250 JANNQEGQEGELRA-UHFFFAOYSA-N 388.405 -0.099 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)C2(S(=O)(=O)c3ccccc3)CC2)CC1 731344186 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20 GBED C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)c2c[nH]c(C#N)c2)C1 960270011 LYTTXQQJXPZSJK-BQDHKBFISA-N 385.424 -0.147 30 20 GBED C[C@@H]1CN(C)C[C@H](C(=O)N2CCO[C@@H]3CN(C(=O)c4c[nH]c(C#N)c4)C[C@@H]32)O1 960570394 SXIOSVLPHLBNQC-VJUNAUMWSA-N 387.440 -0.343 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn(CC)n2)C1 962741492 UIVJRBZPHAZGIY-UKMLZYKCSA-N 377.445 -0.029 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CN2CCCCC2=O)C1 968715522 WOCFPZHXJXMUGU-KRXQYRFLSA-N 379.457 -0.332 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn(CC)n2)C1 1023605212 UIVJRBZPHAZGIY-XZDPQHSOSA-N 377.445 -0.029 30 20 GBED C=CCCOCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1040160111 AXGCXRYUDPFNMH-MFWIUYSUSA-N 382.457 -0.290 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1OC 1212297560 FVNYLMXNMIODLC-LVQVYYBASA-N 389.518 -0.326 30 20 GBED COCC#CCN1C[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)[C@H](OC)C1 1212459012 UAHIXBHYQMVQCC-SYQHCUMBSA-N 380.363 -0.202 30 20 GBED C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1nnnn1C1CC1 1261924639 BCYFNATYFHYEFB-GFCCVEGCSA-N 395.427 -0.199 30 20 GBED Cc1cc(NC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)n(CCC#N)n1 1319335517 GQCCYNGGDGUQIL-UHFFFAOYSA-N 375.433 -0.676 30 20 GBED O=C(NCC#Cc1ccccc1)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 1321400117 QHBSHHFOFUUFRB-IBGZPJMESA-N 384.480 -0.323 30 20 GBED COC(=O)CCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1321564488 QOJNQLBZXGBDNR-OAHLLOKOSA-N 386.408 -0.155 30 20 GBED C#CCOCCNC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 1323025224 AFVKDNBTIRPPQA-UHFFFAOYSA-N 391.449 -0.644 30 20 GBED C#CCOCCNC(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 1324578639 SZJINFDFDFFFPE-UHFFFAOYSA-N 399.391 -0.570 30 20 GBED C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)C1 1326036276 OQIFCUWDNZBQBI-KXBFYZLASA-N 375.473 -0.191 30 20 GBED CO[C@]1(CNC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CCOC1 1327440592 VOURONAZUCSHPD-ACJLOTCBSA-N 388.428 -0.693 30 20 GBED C=CCN(C(=O)C(=O)N1CCC(CNS(C)(=O)=O)CC1)[C@@H](C)COC 1329748567 GPMHBXAIUPZCNX-ZDUSSCGKSA-N 375.491 -0.176 30 20 GBED COCC(=O)NC1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1 1331701797 KVMILSNIASVTJX-UHFFFAOYSA-N 388.424 -0.063 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H](CC)CN2CCOCC2)CC1 1333275295 AMPYEBCWVPAKDX-INIZCTEOSA-N 378.473 -0.799 30 20 GBED CC(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1360000966 SUUPWXHSZJQGKX-KGLIPLIRSA-N 398.489 -0.004 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C(=O)O)[C@@H](C(=O)OC)C2)c1 1573311798 YTDOTWSWEPFWNH-KBPBESRZSA-N 394.405 -0.456 30 20 GBED CN1CCC(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)(N2CCOCC2)CC1 1579348208 XAVONEGEJFJCNL-UHFFFAOYSA-N 384.448 -0.263 30 20 GBED N#Cc1cccc(S(=O)(=O)NCCn2cnc(-c3nn[nH]n3)n2)c1Cl 1581875859 UFXWWWKJOFWTID-UHFFFAOYSA-N 379.793 -0.038 30 20 GBED C#CCNC(=O)CN1CC=C(CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1588354614 RRSZGGUQAYVOFY-UHFFFAOYSA-N 382.428 -0.304 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@@H](C)CN=c1cc[nH]c(-c2nn[nH]n2)n1 1588404029 COZSKOAPZRWFPQ-AAEUAGOBSA-N 387.448 -0.192 30 20 GBED C=C(Cl)CN1CC(N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2=O)C1 1588449479 PHOSNFGKUTWNRN-NSHDSACASA-N 390.835 -0.038 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1ccsc1-c1nn[nH]n1 1593377535 JHMVZAPAAPMYHU-RAXLEYEMSA-N 395.426 -0.267 30 20 GBED C#CCOCCNC(=O)C(=O)NC1CCN(c2ccccc2-c2nn[nH]n2)CC1 1602729504 VHADYEKDSXPIHD-UHFFFAOYSA-N 397.439 -0.282 30 20 GBED C=CCOCCCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1602871296 PKTQOBIDFCIJTJ-UHFFFAOYSA-N 389.416 -0.519 30 20 GBED N#Cc1cccc(CNC(=O)C(=O)NCCNc2ncccc2-c2nn[nH]n2)c1 1606380181 UHRJATINKZQQDH-UHFFFAOYSA-N 391.395 -0.022 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN([C@H](C(=O)O)c1cccc(C#N)c1)C2 1610094372 PXKVOXGVIHWSNY-INIZCTEOSA-N 384.396 -0.354 30 20 GBED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccc(C(=O)O)cc2)c1=O 1610892616 YMSUXQODQLJSIH-UHFFFAOYSA-N 382.401 -0.277 30 20 GBED Cn1cc(C[C@@H](CO)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cn1 1643142184 YELKSXWRXLJHME-LBPRGKRZSA-N 377.426 -0.822 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1778970197 YCAFOXWFMVKBGW-TYILLQQXSA-N 397.472 -0.548 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(C)C)C[C@@H]21 1783530137 HRMWVPMNKAWOAR-FCLICNRPSA-N 378.473 -0.614 30 20 GBED COCc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1783567298 UCPMHYUHWMOMAP-GOSISDBHSA-N 375.381 -0.307 30 20 GBED C[C@@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1789876610 CUNKATNFZVZIBU-LUHHERHRSA-N 393.488 -0.428 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2 1793354063 XJDPCHZNUSKLPS-AYDFFVQHSA-N 382.461 -0.562 30 20 GBED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nccnc1C(N)=O)C2 1793571172 IEYTZRMMXSLYSZ-YIYPIFLZSA-N 385.424 -0.134 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1 1801436102 BKBCQVFKFKTHRD-RMEBNNNOSA-N 392.460 -0.603 30 20 GBED C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O)N1CCN(C)CC1 1801988645 LIYIZUSLVOAIPZ-LVQVYYBASA-N 376.457 -0.652 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200965 SRDBKVJKRDQJOV-PWSUYJOCSA-N 390.400 -0.063 30 20 GBED COC(=O)NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1826507738 WTDJYWHFRCDIMC-MRVPVSSYSA-N 380.382 -0.501 30 20 GBED CC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1830524692 FXGVADOYVOJNEK-QAPCUYQASA-N 376.413 -0.273 30 20 GBED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CNC(=O)C2)CC1 1831421503 YZPXHKCBBREFJY-GJZGRUSLSA-N 375.425 -0.170 30 20 GBED CC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1834715960 GEEIYCOHSWGIFC-HDAJJNEKSA-N 380.445 -0.497 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1834758339 MCAXDVGYEIPXRW-SFHVURJKSA-N 384.396 -0.287 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCOCC1)CCO2 1835394213 YDRGDDBQOJQDMJ-SFHVURJKSA-N 380.445 -0.921 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](N)c4ccccn4)CCO3)C2)CC1 1835700286 XBYHEFDRLNJXTN-OXQOHEQNSA-N 399.451 -0.158 30 20 GBED CC[C@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1835913151 UYRACLRITRHMQR-KXBFYZLASA-N 389.456 -0.046 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)C1 1836141564 QIBJLALAZWYAFS-QGZVFWFLSA-N 376.417 -0.904 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2 1837385255 QDGCZXRNCOKEEJ-RDTXWAMCSA-N 382.461 -0.274 30 20 GBED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1838908898 ZWOZGIZPFPAGEJ-FQEVSTJZSA-N 397.387 -0.284 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1840160047 VUULQCAZPIWCEZ-KDOFPFPSSA-N 395.481 -0.377 30 20 GBED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1841746951 OZZHBWZQYPPUCC-KBPBESRZSA-N 395.504 -0.055 30 20 GBED C=CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 48619643 ZWNRGPTVNOVFTK-UHFFFAOYSA-N 396.469 -0.128 30 20 GBED C#Cc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 53206163 CVXHMNRXZZKNKV-LBPRGKRZSA-N 397.435 -0.211 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 272911446 DICGWEBYPYPCQM-CYBMUJFWSA-N 393.473 -0.055 30 20 GBED C[C@@H](O)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 275401986 FEFYMQIGBLSFNV-ZIAGYGMSSA-N 380.470 -0.250 30 20 GBED C=Cn1cc(/C=c2\s/c(=C(/C#N)C(=O)N3CCOCC3)n(CC)c2=O)cn1 278002474 OJVWCGUWHSTHFM-SOUBVSJWSA-N 385.449 -0.411 30 20 GBED CCN1CCN([C@@H]2CCN(/C(O)=N/CCC(=O)N3CCN(C)CC3)C2)CC1 329137293 DDQQCUDRGQCHTI-QGZVFWFLSA-N 380.537 -0.224 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C/C(O)=N/[C@](C)(C#N)C1CC1)C2 329832163 KVLZCOCYFKQXMN-QGZVFWFLSA-N 375.433 -0.403 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC(=O)NCc1cccc(C#N)c1)C2 372740128 KCMLCRRKDWVODY-UHFFFAOYSA-N 397.439 -0.863 30 20 GBED N#C[C@@H]1COCCN1C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 408232488 OOWDGLGHIVXLKG-CYBMUJFWSA-N 378.410 -0.828 30 20 GBED COCCO[C@@H]1C[C@H](CO)CN(S(=O)(=O)N(CCC#N)CCOC)C1 410423408 ROTFOIDBFKNSJD-LSDHHAIUSA-N 379.479 -0.561 30 20 GBED CCOC(=O)Cn1cnc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n1 425696512 AXWQUMMRXVOGLK-LBPRGKRZSA-N 399.415 0.245 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc(C(N)=O)c3)CC2)c1C#N 472853331 OCWRWVWDDSCDOF-UHFFFAOYSA-N 395.423 -0.014 30 20 GBED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccnn3CC)c2=O)cn1 533120374 QZWFQMHKWWDKKH-UHFFFAOYSA-N 397.464 -0.419 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)CC2)c1C#N 578446905 JNBVDZNDDVNROV-CYBMUJFWSA-N 395.489 -0.534 30 20 GBED COC(=O)C[C@H]1COCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 592799967 PTJLXXXSCGHONR-ZDUSSCGKSA-N 381.410 -0.373 30 20 GBED COC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)C#N)cc1 594628731 FNVRAXPEAZKAOQ-NWDGAFQWSA-N 391.471 -0.495 30 20 GBED C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1ncc(C#N)s1 594635679 LHUBMUNOKLWGOH-MWLCHTKSSA-N 394.500 -0.069 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC1CC1 596191244 MEILTLUHLCRPSJ-UHFFFAOYSA-N 384.461 -0.020 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N(CCN2CCOCC2)CC2CC2)CC1 597256889 AGXOZHLGRNPTKT-UHFFFAOYSA-N 377.489 -0.339 30 20 GBED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 610704730 KRPQGIZXLVZULB-CZUORRHYSA-N 399.455 -0.488 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(O[C@@H]3CCOC3)CC2)c1=O 748270636 SRTKASUCGWTONF-MRXNPFEDSA-N 392.456 -0.229 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2sccc2C(N)=O)CC1 761038531 WKJUZGIPOGSMOY-LLVKDONJSA-N 399.498 -0.741 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CN(CCc2ccccc2)C(C)=O)CC1 761668446 CFBLSCWYRGORLJ-UHFFFAOYSA-N 384.480 -0.029 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCO[C@@H](c2ncon2)C1)c1cc[nH]n1 772541663 DWIZUPZCGHTRDV-LLVKDONJSA-N 378.345 -0.323 30 20 GBED O=C(O)[C@@H]1COCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 776628881 PFPVJLCTEUHBEU-LBPRGKRZSA-N 381.410 -0.183 30 20 GBED CCOC(=O)N1CCC(S(=O)(=O)NC(=O)[C@H](C)n2cnc(C#N)n2)CC1 802995101 DFDFLDCKIQRHKN-JTQLQIEISA-N 384.418 -0.222 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCN2C(=O)CSC2=O)c1 810171000 SOGIRACZGXTOCH-UHFFFAOYSA-N 382.423 -0.352 30 20 GBED C#CCCS(=O)(=O)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 810780851 UKEGOUSKWLAOPB-UHFFFAOYSA-N 375.406 -0.472 30 20 GBED CN(C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)Cn1cnc(C#N)n1 821586118 KLYVBPXFWGZWDP-UHFFFAOYSA-N 380.416 -0.080 30 20 GBED C=CCS(=O)(=O)CCNC(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 823931845 HMDXMEVFLSGMCM-UHFFFAOYSA-N 380.434 -0.426 30 20 GBED COCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 916891792 FKTCOELNOKWCMI-BFUOFWGJSA-N 384.392 -0.149 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1O 1023939583 HFKKGNDMJLIKIG-DMEJVMROSA-N 376.413 -0.937 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c(O)nnc(C)c2C)C[C@H]1O 1025712056 DXHQHAPUZZTLPS-SYQHCUMBSA-N 376.413 -0.308 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncnc2c1CN(C)CC2 1092970599 VAEOSJUSPOJPON-XYPHTWIQSA-N 382.468 -0.170 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)n(C)c(=O)n1C 1096035764 RJCWCFDEQZMNES-ZUOZUFPHSA-N 388.468 -0.103 30 20 GBED Cc1nnc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1C 1117141184 RHVAFYURUXFQEP-OAHLLOKOSA-N 395.423 -0.471 30 20 GBED Cc1ccc([C@H](CNC(=O)C(=O)N2CCO[C@H](C#N)C2)N2CCOCC2)o1 1256923068 HIJHMEAONWDFGX-CABCVRRESA-N 376.413 -0.172 30 20 GBED COC(=O)[C@@H]1CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1261697471 NMSLVUAQADAOFY-WDHIUNPCSA-N 392.412 -0.713 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2ccc(C(=O)NC)cc2)CC1 1323476484 FNVQUAWZHXIAMO-UHFFFAOYSA-N 384.436 -0.350 30 20 GBED C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1328872060 BKQGJPRCQKOTDH-AWEZNQCLSA-N 392.481 -0.248 30 20 GBED CC[C@H](NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1)C(=O)N1CCOCC1 1336873416 NMWBIGXLDJOATN-ZDUSSCGKSA-N 376.417 -0.203 30 20 GBED C=CCn1c(-c2cn(CCO)nn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1342468285 UZRQJSIQPWRXNV-OAHLLOKOSA-N 388.476 -0.127 30 20 GBED CO[C@H](C(=O)NCC#CCNC(=O)[C@@H](OC)c1cnn(C)c1)c1cnn(C)c1 1344549599 RFOCFWFVNZCROA-HOTGVXAUSA-N 388.428 -0.535 30 20 GBED C#CCNC(=O)CNCC1(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCCC1 1573285122 DHYYWNXRVRYERT-UHFFFAOYSA-N 384.444 -0.034 30 20 GBED C=CCNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)Cc2ccccc2-c2cnn[nH]2)C1 1575104762 WAHHBPVMGSGBGG-VHSSKADRSA-N 398.467 -0.134 30 20 GBED C=CCNC(=O)CN1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 1588659031 GYHWYAYLEKGQRE-UHFFFAOYSA-N 384.444 -0.275 30 20 GBED Cc1nn(CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cn2)c(=O)c(C#N)c1C 1592437679 YYFXHWPPIXUHPL-UHFFFAOYSA-N 386.397 -0.219 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CN(c2cncc(-c3nn[nH]n3)n2)CCO1 1602887024 ZLEDDUUEONWNCK-SCRDCRAPSA-N 386.416 -0.431 30 20 GBED C[C@@H](Nc1nccnc1-c1nn[nH]n1)[C@@H]1CN(C(=O)CSCC#N)CCO1 1603687669 NRMBKGLADIGVSG-MNOVXSKESA-N 389.445 -0.059 30 20 GBED N#Cc1cn(CCNC(=O)N[C@H]2CCN(c3ncccc3F)C2)c(=O)nc1O 1680273386 ZWIIRQQMDVNOFH-LBPRGKRZSA-N 387.375 -0.067 30 20 GBED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1nncn1C 1741676049 VUORSINJFFWXFD-CQSZACIVSA-N 398.475 -0.230 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(N)=O)C2 1779337063 DPZVCSLZRGYNSJ-PJIJBLCYSA-N 396.488 -0.258 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)c1 1780600517 ZIUIEBNESRHOFE-OXJNMPFZSA-N 399.451 -0.405 30 20 GBED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C(O)O)CCO3)c(C#N)c1 1781170874 BWVMSOJVSXOTKF-LJQANCHMSA-N 389.408 -0.750 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)N(C)C)C[C@@H]21 1784475181 WUPCEEKLDNBUPP-UGUYLWEFSA-N 394.472 -0.724 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnnc3O)[C@H]2C1 1789113079 YUWXEDJQUUPGDY-SDADXPQNSA-N 388.424 -0.186 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H](NC)C(=O)O 1796085032 QSSXLFZIGUKMSL-GJUCYTSISA-N 392.456 -0.454 30 20 GBED C[C@@H](Nc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1797975773 AEJWVHDTPNPATM-ZUMXRPEOSA-N 386.408 -0.440 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)ccn1C 1798526325 OXNAPVLVIFVELK-ZXFNITATSA-N 387.436 -0.373 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1800453954 NOHBXUUMFZPJAK-ZSBFGKGUSA-N 386.404 -0.328 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn3cncc3c1)C2 1800777159 INFDMTCIKWOTEL-ZSBFGKGUSA-N 382.376 -0.375 30 20 GBED CNC(=S)NCCC(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834400592 XGLNZVOIUYPFME-UHFFFAOYSA-N 394.545 -0.044 30 20 GBED Cn1nc2c(c1C(=O)N1CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C1)CCC2 1834766909 DMJHEXDTIVBIMC-LJQANCHMSA-N 387.440 -0.108 30 20 GBED Cc1noc(N)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342506 DYBSBNMOOAJYIY-SFHVURJKSA-N 389.412 -0.061 30 20 GBED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835352292 RWISTSGEULXSNM-KBXCAEBGSA-N 380.445 -0.339 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1835360163 VUFXWDFUCGTQGU-QGZVFWFLSA-N 375.385 -0.856 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1837400315 CWDSTAGGVQLMJP-DOXZYTNZSA-N 397.472 -0.850 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838509422 LYFGLHDDFBGAJX-QGZVFWFLSA-N 387.421 -0.211 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1840172523 TYOBVPSBSVAFPY-HXUWFJFHSA-N 394.516 -0.344 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CCO2)C1 1840605865 CJMBQWLANQOTGT-HRLGVUPISA-N 377.441 -0.115 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840835780 HBABXCVTNGMWNF-VYWUCYSYSA-N 394.424 -0.488 30 20 GBED C=CCOCCCC(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2 1841606054 AVUVWWWQSVQQOI-UHFFFAOYSA-N 383.489 -0.541 30 20 GBED CC/N=C(/NC[C@@H]1COCCO1)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 261939216 DFASYAJIQJALST-DLBZAZTESA-N 381.521 -0.004 30 20 GBED CCn1nccc1/C=c1\s/c(=C(/C#N)C(=O)NCCOC)n(C2CC2)c1=O 270101312 WLLIUAHGLXXJHR-GQIGLLADSA-N 387.465 -0.273 30 20 GBED C#CCOc1ccccc1NC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 276062396 NNDQEZRLZYEVIR-OAHLLOKOSA-N 375.425 -0.211 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCO[C@H](CC(=O)OC)C1)c1cc[nH]n1 277939927 ISQIUKFTNKEQGE-RFEBSHCTSA-N 382.373 -0.516 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCCN1CCN(C)C(C)(C)C1)c1cc[nH]n1 281731243 JFMWAJPYUXRQCZ-CJLVFECKSA-N 394.476 -0.164 30 20 GBED CC(C)(C)OC(=O)N1CCN2/C(=N\CCCNS(C)(=O)=O)NC[C@H]2C1 305004408 IIALKJSVCBJNBS-LBPRGKRZSA-N 375.495 -0.194 30 20 GBED CCN1CCN([C@H]2CCN(/C(O)=N/CCC(=O)N3CCN(C)CC3)C2)CC1 329137292 DDQQCUDRGQCHTI-KRWDZBQOSA-N 380.537 -0.224 30 20 GBED COC1CN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@H]2C#N)C1 349495809 FVTNLBMSGBXWHK-LLVKDONJSA-N 383.517 -0.692 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2[C@H]3COC[C@H]32)c1C#N 349576537 PYMJZBCEGZQCDK-GDNZZTSVSA-N 389.459 -0.714 30 20 GBED Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)N2CCO[C@@H](C#N)C2)s1 409505932 ZZVDHOSEVJUVTQ-NSHDSACASA-N 394.500 -0.606 30 20 GBED N#Cc1ccc([C@H](C(N)=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 436222059 UJXNJAIEJOJODA-GOSISDBHSA-N 383.408 -0.622 30 20 GBED CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 440999930 MMCMVBMSPMQXQM-CQSZACIVSA-N 392.460 -0.400 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CC(=O)NC[C@H]2C(=O)OC)c1 468660019 QFTAZKMMEKMSPT-ZDUSSCGKSA-N 381.410 -0.736 30 20 GBED CSC[C@@H](CCO)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 563428457 VXVMHFXQHUKLEK-LLVKDONJSA-N 393.512 -0.119 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCO[C@H]3C3CC3)CC2)c1C#N 565627017 SKNAKMOVNVJDNI-CVEARBPZSA-N 386.456 -0.068 30 20 GBED COC(=O)C[C@]1(NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CCOC1 566801487 UBXRGCBXRKPRNM-GOSISDBHSA-N 398.379 -0.084 30 20 GBED C[C@]1(C(N)=O)CCN(S(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)C1 576530578 XKHVQJFOAAUYCW-AWEZNQCLSA-N 386.455 -0.626 30 20 GBED COC[C@@](C)(O)CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 583095147 YUJQQGWJGZGBIH-FZMZJTMJSA-N 391.471 -0.447 30 20 GBED CN1CCCN(CCCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 592764223 WQLDHUKUPBPAOL-UHFFFAOYSA-N 393.513 -0.020 30 20 GBED CCOC[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCO1 599546323 YFVKONINEIGQRK-MRXNPFEDSA-N 387.440 -0.134 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)C1=O 675573219 KEXINNBSGZQKRP-ZDUSSCGKSA-N 376.413 -0.130 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 728530920 ZGYXWDAJSOQYOC-UHFFFAOYSA-N 376.417 -0.308 30 20 GBED N#CCOc1ccc(CC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 732069000 YHUGLUCLKLLJTJ-IRXDYDNUSA-N 393.465 -0.255 30 20 GBED N#C[C@@H](C(=O)c1cn(Cc2ccccc2)nn1)C(=O)N1CCS(=O)(=O)CC1 732911108 XBJRVBLBNAHUHF-AWEZNQCLSA-N 387.421 -0.094 30 20 GBED N#Cc1cncc(S(=O)(=O)NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 813984742 YSOZZVIQDMYOLY-CHWSQXEVSA-N 376.394 -0.067 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)NC(=O)C2CCCCC2)CC1 831556263 KYASZDNZTIFVCD-CQSZACIVSA-N 384.502 -0.317 30 20 GBED CC(C)(C)OC(=O)N1CCO[C@H](CNS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 841528980 XKRYZDORVZEZNF-QWHCGFSZSA-N 390.462 -0.319 30 20 GBED N#Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H]2CC[C@@H](C(N)=O)C2)c[nH]1 960957508 BKBFBHSPWWSSQI-GUYJKWIASA-N 385.424 -0.160 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1O 1023939652 KJYKBRGPRAZTHO-JFOHDYCDSA-N 375.425 -0.332 30 20 GBED N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)n1 1041426263 SRWOGSZUZSCLTK-RQSQLSILSA-N 387.318 -0.640 30 20 GBED CCO[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1CN=c1cc[nH]c(C#N)n1 1047972807 AERFIXJZKRJKJU-KLHDSHLOSA-N 388.472 -0.235 30 20 GBED N#Cc1nc(=NC[C@]23CCC[C@H]2CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C3)cc[nH]1 1055684432 KYQDWEMHECAJJL-PJHJGJPPSA-N 384.440 -0.156 30 20 GBED C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(C)CC(=O)NCCC 1109065044 GKNVERUZAAVZEQ-PMPSAXMXSA-N 380.489 -0.105 30 20 GBED CCOC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC12COC2 1261893413 QALICQMFMRCBDI-LSDHHAIUSA-N 390.440 -0.777 30 20 GBED CCNC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1323541875 FTPGFKBVAODPJL-OAHLLOKOSA-N 399.455 -0.478 30 20 GBED CC(C)[C@H]1CN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CCN1 1325756019 OOQLNGSHGZJNAR-GDBMZVCRSA-N 385.472 -0.158 30 20 GBED C#CCN1CCC(OC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 1344372759 DLBHMVKVBRBNGX-CYBMUJFWSA-N 381.454 -0.207 30 20 GBED COc1ccc(CNC(=O)C(=O)N2CCN(CC(=O)N(C)C)CC2)cc1C#N 1350434674 VMYXNKHEVAVVAD-UHFFFAOYSA-N 387.440 -0.585 30 20 GBED C#CCNC(=O)[C@H](C)NC[C@H](C1CC1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573285447 IEXLTNMYTLBVJQ-XHDPSFHLSA-N 384.444 -0.227 30 20 GBED C#CCOCCC(=O)N1C[C@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@@]2(C)C1 1573286430 BQCSNDWVJOSDBT-ACJLOTCBSA-N 382.428 -0.019 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(-c3nn[nH]n3)cc2F)CC1 1588354642 SZBICNFFIFLVGV-UHFFFAOYSA-N 385.403 -0.097 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nn[nH]n2)s1 1588355254 GHUIJVVQVISWMG-JGVFFNPUSA-N 385.837 -0.096 30 20 GBED C#CC[C@H]1CCCN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)C1 1602699277 GGYCEPMXVZOOOF-LBPRGKRZSA-N 399.459 -0.175 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1602721635 QSTRJLCEFYWSJS-ZFWWWQNUSA-N 382.428 -0.377 30 20 GBED C#Cc1ccc(C(=O)N2CCO[C@H](CN=c3cc[nH]c(-c4nn[nH]n4)n3)C2)cn1 1602737434 RJLZAOPHNFDSEI-CQSZACIVSA-N 391.395 -0.592 30 20 GBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O 1602743489 XKJAZVWCXJSSBQ-CVEARBPZSA-N 390.407 -0.454 30 20 GBED N#Cc1cn(CC(=O)N2CC[C@H](C(=O)NCc3ccccc3)C2)c(=O)nc1O 1630822000 UVHZLSJJJGYTCF-AWEZNQCLSA-N 381.392 -0.015 30 20 GBED CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1764388566 KUNIQSGCFYFORO-CHWSQXEVSA-N 384.462 -0.250 30 20 GBED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1782670473 JVQFLKCOFLPCFB-LIRRHRJNSA-N 385.424 -0.057 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCNC(=O)C3)[C@H]2C1 1791343057 NHDWVBJVPJOIDK-QEOTZNIISA-N 391.468 -0.469 30 20 GBED CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 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GBED C[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2 1802288588 ACJVBYPVVYUNMW-QEYWKRMJSA-N 377.430 -0.617 30 20 GBED C#CC(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807025594 IZEURSSZLIVGBI-XJKSGUPXSA-N 380.341 -0.555 30 20 GBED N#CC1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC3)CC1 1814468175 LPIREAGIPKSJEW-UWVGGRQHSA-N 390.469 -0.048 30 20 GBED O=C1C[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CCN1 1831225298 RHQNCFSOLXKTHB-OXJNMPFZSA-N 389.452 -0.618 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1834761291 WGUMZPYGFFTAPC-SFHVURJKSA-N 384.396 -0.287 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cncn1)CCO2 1836134090 NQSPIRSIERHVLL-KRWDZBQOSA-N 395.485 -0.346 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1837400316 CWDSTAGGVQLMJP-VCBZYWHSSA-N 397.472 -0.850 30 20 GBED CC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489410 GATKRMWSKLJVCN-FQEVSTJZSA-N 392.452 -0.270 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1839163284 JTMVACZGYNYMRL-DAYGRLMNSA-N 398.460 -0.622 30 20 GBED O=C([C@@H]1C[C@H](O)CN1)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844283393 XYZBRSFMSOYQGY-HOTGVXAUSA-N 375.469 -0.389 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@H]2NC(=O)NC2=O)c1 1848129014 LWRPMSOSZOKSKS-ILXRZTDVSA-N 381.392 -0.028 30 20 GBED CC/N=C(/NCCN1CCOC[C@@H]1C)N1CCN(c2cnn(C)c2)C(=O)C1 261715430 KJHVIWPKTOWSBJ-HNNXBMFYSA-N 377.493 -0.245 30 20 GBED C[C@]1(C(N)=O)CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 289170387 VCQLXESIMFCRRV-QRWLVFNGSA-N 397.435 -0.106 30 20 GBED COC(=O)C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OC 298836591 CYRHTYYKBIIYTH-ZDUSSCGKSA-N 382.394 -0.306 30 20 GBED CC(C)NS(=O)(=O)N1CCN(C/C(O)=N/CC(=O)N2CCCC2)CC1 328801610 AIWVRVGLOKZOEU-UHFFFAOYSA-N 375.495 -0.574 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CC(O)(CC#N)C1 349451428 NHIIWWMJWQHJIB-LBPRGKRZSA-N 398.466 -0.084 30 20 GBED N#CCN(C1CCCC1)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](O)C1 349519547 IOMOBJVIAQSWLS-CQSZACIVSA-N 379.504 -0.129 30 20 GBED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cnn(C)c3C#N)CC2)C[C@H](C)O1 474796161 ZZXCAEDVPYMCAB-STQMWFEESA-N 396.473 -0.596 30 20 GBED C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 537010439 IRDYPQRZMBEONG-GFCCVEGCSA-N 380.426 -0.078 30 20 GBED COC(=O)[C@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)OC 563696746 STICYTNSVSSPAR-ZDUSSCGKSA-N 389.343 0.126 30 20 GBED CCC(CC)(NC(=O)C1CN(C(=O)C(=O)Nc2ccc(C#N)cn2)C1)C(N)=O 573748556 YMXROBNRSVNVPX-UHFFFAOYSA-N 386.412 -0.490 30 20 GBED COc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)nn1 579364083 SYKUTZNYGUENGJ-LLVKDONJSA-N 382.384 -0.177 30 20 GBED CCN1CCC(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1 579384991 NUEWSKZZTJJYGL-UHFFFAOYSA-N 375.477 0.103 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](C(=O)O)C(C)C)CC2)c1C#N 594543834 HZHKYHQDQQNZMF-AWEZNQCLSA-N 390.444 -0.278 30 20 GBED Cc1nc(=NS(=O)(=O)c2cccc(S(=O)(=O)NC[C@@H](C)C#N)c2)n(C)[nH]1 594632704 DTMSUGAWZCLMLH-JTQLQIEISA-N 398.470 -0.216 30 20 GBED N#Cc1ccc(NCC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 604446928 HJAIDKBMAMZBES-UHFFFAOYSA-N 383.408 -0.210 30 20 GBED C=C[C@H](CO)NCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 662164001 SNNVJTVDSSGSMR-PBHICJAKSA-N 375.425 -0.366 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)c(C)c2)CC1 747991016 BRWHIMRHFUVFFG-UHFFFAOYSA-N 395.423 -0.103 30 20 GBED CN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1=O 762242922 ZNHSPIXCLOOQNY-UHFFFAOYSA-N 385.380 -0.122 30 20 GBED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H](CO)NC(N)=O)cc1 765472636 YBMSDZIYIFTZCQ-NHLWYUBBSA-N 383.430 -0.533 30 20 GBED Cc1cccc2c1NC(=O)C2=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771890827 IARQBYWMXMMMNN-UHFFFAOYSA-N 377.382 -0.973 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N(CCCOC)[C@H]1CCS(=O)(=O)C1 783305418 HVXYQHIMDQWZOD-ZDUSSCGKSA-N 382.504 -0.178 30 20 GBED CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 787789733 FWOJRSDANUSLMB-ZDUSSCGKSA-N 379.442 -0.483 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](N3CCOCC3)C[C@@H]2C)c1=O 795687525 CPOWWYWRTNZLFQ-JKSUJKDBSA-N 391.472 -0.704 30 20 GBED C#CCCS(=O)(=O)NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 810779804 BIXDKJICFXJXSA-QGZVFWFLSA-N 375.406 -0.151 30 20 GBED C[C@H]1CC(=NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)NO1 824882570 BUAMWBFYJFDZST-IUCAKERBSA-N 379.402 -0.228 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCC[C@@]12CCOC2=O 848958091 UNVZLAJDSIEIEJ-AAEUAGOBSA-N 379.460 -0.681 30 20 GBED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)Cn2ccc(=O)n(C)c2=O)cc1 917035971 UGTCNDXVMBKIJC-OAHLLOKOSA-N 384.392 -0.377 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2C(=O)CNC2=O)cn1 1000633584 NMFLIATUYZGRQV-ILXRZTDVSA-N 381.392 -0.524 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)C[C@H]21 1022750356 ZWXMQTWTHXVJMH-JJXSEGSLSA-N 389.456 -0.459 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(OC)nc2)C[C@H]1O 1023941915 HHGOICKAMWWVQA-YJNKXOJESA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc(C)c(C)[nH]c2=O)C[C@H]1O 1023960657 QWHMNJNRTTZJLX-TUVASFSCSA-N 390.440 -0.331 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)o2)C1 1024874596 CZQGFCJSOJSOHH-YFCNSXCBSA-N 377.397 -0.339 30 20 GBED N#Cc1cc(C(=O)N(CCO)CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)c[nH]1 1057394022 DBWBYLLAYYTGLM-CWRNSKLLSA-N 376.413 -0.511 30 20 GBED CN(C)S(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)cn1 1092918216 SERYKKSHUQCJFW-RDBSUJKOSA-N 378.458 -0.425 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1coc(S(C)(=O)=O)c1 1110577457 JYUHPNRKFWLPFN-MCIONIFRSA-N 379.438 -0.232 30 20 GBED CC(=O)N1CCC[C@@H](C(=O)NCC#CCNC(=O)[C@@H]2CCCN(C(C)=O)C2)C1 1320379720 ZGGBGCWIEKUWFM-QZTJIDSGSA-N 390.484 -0.261 30 20 GBED C[C@H](OC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)N(C)CCC#N 1321601204 NFHHUZSIROGUCB-AVGNSLFASA-N 385.442 -0.674 30 20 GBED CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OCC#N)cc2)CC1 1322465022 FNFHIKOQZXTLAJ-UHFFFAOYSA-N 387.440 -0.515 30 20 GBED C=CCc1cc(CNC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc(OC)c1OC 1322613707 WIXDPPRUQKNKSK-OAHLLOKOSA-N 391.424 -0.239 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 1323850224 KMZXBVVTNVYLEO-ZENOOKHLSA-N 377.445 -0.047 30 20 GBED C#CCCn1nnnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 1334346477 FLPHIAZDRIUVOM-KBPBESRZSA-N 383.478 -0.828 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1346265271 MSMQQYSUGDGQMC-MSUUIHNZSA-N 389.456 -0.214 30 20 GBED C#CCOCCC(=O)N1CCC(N(Cc2cnn[nH]2)C(=O)c2cnn[nH]2)CC1 1575012594 CYOOUJYJVZPQQZ-UHFFFAOYSA-N 386.416 -0.404 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CCCCc3cnn[nH]3)C[C@H]2O)cn1 1575032856 PACCZCPIINVNDM-IAGOWNOFSA-N 382.424 -0.105 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@H]1[C@@H]2CN(C(=O)CCOCc3cnn[nH]3)C[C@H]12 1575073156 NUXRUOHGUZUSBL-AFIMGQEJSA-N 377.445 -0.141 30 20 GBED CC#CCCCC(=O)NC[C@@H](O)CNC(=O)C1CCN(Cc2cnn[nH]2)CC1 1575118471 YXMHJRNEABDAAA-QGZVFWFLSA-N 390.488 -0.196 30 20 GBED CS(=O)(=O)CCN1CCC(Nc2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1580161494 CTWASAONLBDNRO-UHFFFAOYSA-N 377.434 -0.551 30 20 GBED C=CCn1c(-c2ccc(-c3nn[nH]n3)n2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1588695550 FRQZTYHVTYAUIM-NSHDSACASA-N 395.431 -0.137 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)nn1 1588713436 LKTXAKMSCNDRAS-GDBMZVCRSA-N 395.427 -0.381 30 20 GBED N#CC1CCN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 1592672588 LCMDCHRWWODVKO-UHFFFAOYSA-N 375.414 -0.093 30 20 GBED COC(=O)C1(C#N)CCN(C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)CC1 1679491889 IQDUQAPMXQBXPY-UHFFFAOYSA-N 393.444 -0.444 30 20 GBED Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1742835632 PFKCTBJTZDKFNS-HOCLYGCPSA-N 380.474 -0.687 30 20 GBED COc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1C(=O)O 1776052226 RQENDZQIBKYTDF-UHFFFAOYSA-N 396.381 -0.897 30 20 GBED CC[C@@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1777979640 AWVXFFAGJKABFW-SNUQEOBHSA-N 394.428 -0.965 30 20 GBED Cn1nncc1C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134652 MDMQNCJUFFKBHQ-ABQTWSPHSA-N 386.412 -0.029 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779879929 WRBQAXUKIQGHJN-MGPLVRAMSA-N 379.442 -0.663 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)cc1 1780696421 WANKHDJWZYZGNZ-GOSISDBHSA-N 381.396 -0.312 30 20 GBED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)N1CCN(C)CC1 1781089740 HKOHRIVSTQKNMD-DYESRHJHSA-N 388.512 -0.134 30 20 GBED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@@H]21 1783684605 RVFDEWCOBLSRJG-IHRRRGAJSA-N 385.486 -0.049 30 20 GBED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOCC4)[C@H]3C2)CCC1 1786725459 RAQFGVRMKRKVIK-ULQDDVLXSA-N 390.484 -0.008 30 20 GBED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@](C)(O)CC(=O)O)[C@H]2C1 1791286952 GZTIHVBMLSZIKY-SMXCXOSKSA-N 388.486 -0.100 30 20 GBED C=CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1810533928 SLCKBJHSEPDOGL-ZXYWRSMDSA-N 398.419 -0.134 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(C)(C)O)C2)C1 1831391106 GVILLBRQZUWFEG-DNVCBOLYSA-N 382.457 -0.358 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccn3)C2)C1 1831391121 HKMFXDDITZZXKA-BEFAXECRSA-N 388.424 -0.415 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1840041610 XJAMNZSFKBMLNA-LJQANCHMSA-N 393.440 -0.983 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccsc3)C2)C1 1840041986 TWQVZUKYOYQAEQ-SFHVURJKSA-N 392.433 -0.165 30 20 GBED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1840294655 MSTXQJCNDJZUCM-ABSDTBQOSA-N 393.484 -0.641 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1CCCC1)CCO2 1840940998 PJJPOFJTTFLYMF-IBGZPJMESA-N 393.440 -0.983 30 20 GBED C#CC(=O)N1CC2(CCCN2C(=O)CCOCCOCCOCCOC)C1 1845246056 CFLLCYMROPKOPE-UHFFFAOYSA-N 382.457 -0.091 30 20 GBED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1 52363520 NFHKVOXYHSKYID-UHFFFAOYSA-N 380.426 -0.001 30 20 GBED C[C@@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 52716349 QAJKMVZDJUEOID-LBPRGKRZSA-N 397.457 -0.555 30 20 GBED CN(C)CCCN(CCC#N)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 263941593 SKJWIEPNLJNDDR-UHFFFAOYSA-N 389.460 -0.482 30 20 GBED N/C(CN1CCOCC1)=N\OCC(=O)NCCOc1ccc2c(c1)OCO2 268623196 ZWNWEWGQEXVMEM-UHFFFAOYSA-N 380.401 -0.469 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N(CC(N)=O)CC(=O)OCC)cc1 299365963 RSULQNSZRQYPMZ-UHFFFAOYSA-N 383.426 -0.359 30 20 GBED CN(C1(CO)CC1)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 349482709 PVNBCSQSMZIDNA-GFCCVEGCSA-N 397.544 -0.566 30 20 GBED C[C@H]1[C@H](C)N(S(=O)(=O)CCCCS(=O)(=O)N(C)CC#N)CCN1C 349620576 PZFXGHIKKJHSIQ-KBPBESRZSA-N 380.536 -0.094 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H](O)C(C)(C)C1 349627208 WCGUFKQILYIGFS-CHWSQXEVSA-N 381.520 -0.027 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](S(=O)(=O)NCC)C2)c1 378427940 RTEVHLFYAAKECW-OAHLLOKOSA-N 399.494 -0.248 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C1=O 440249104 YAZBHENPIGRBJV-ZDUSSCGKSA-N 398.416 -0.343 30 20 GBED N#CC1(NC(=O)CN2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CCC1 527373704 IOYCZUKNDMZQSV-UHFFFAOYSA-N 397.423 0.000 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CO)COC)cc1 571343671 HLAKLUFUZNUKEL-LBPRGKRZSA-N 391.471 -0.494 30 20 GBED CN(CCCNC(=O)CN1CCN(c2cnccc2C#N)CC1)S(C)(=O)=O 577339323 JESSEYJYIYGYJO-UHFFFAOYSA-N 394.501 -0.527 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2nccn2C)C(C)(C)CO)C1=O 616868350 MCOTXRNRVVLZJE-LBPRGKRZSA-N 377.401 -0.427 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1 725956183 MRQRMBLSOOVDPM-KGLIPLIRSA-N 393.371 -0.044 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 728590267 ZJYOEKOEPWDUPL-UHFFFAOYSA-N 384.389 -0.210 30 20 GBED O=C(O)[C@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 738547774 VIZBZYACUBARMM-GFCCVEGCSA-N 381.410 -0.183 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn(C)c2)c1=O 758082044 APFYYTWMCAIDSJ-UHFFFAOYSA-N 381.461 -0.162 30 20 GBED CCOC(=O)CON=C(C(=O)N1CC[C@H](OC)C[C@H]1C(=O)OC)c1cc[nH]n1 772522841 IDPSJEIXXISZQV-AAEUAGOBSA-N 396.400 -0.128 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)NC(=O)C2CCCCC2)CC1 831556259 KYASZDNZTIFVCD-AWEZNQCLSA-N 384.502 -0.317 30 20 GBED CCS(=O)(=O)C1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 836903234 BZZDZWGLNWXXJL-UHFFFAOYSA-N 385.467 -0.239 30 20 GBED C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)OC 842227191 RZOFISGZSINKFS-CQSZACIVSA-N 387.392 -0.083 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cccc(C(N)=O)n2)[C@H](OC)C1 942260725 WFODYMSCOMNBJT-BQDHKBFISA-N 388.424 -0.273 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc(O)n2C)C1 969534568 MWIGPVYOKLTSCE-NEBZKDRISA-N 378.429 -0.202 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)C3CC(=O)NC(=O)C3)C[C@H]21 1022750236 UIIUHKXCNLTWRM-MYPMTAMASA-N 375.425 -0.310 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cnn(C)c2C)C[C@H]1O 1023960842 WMECIOJAWNCWIC-VQHPVUNQSA-N 376.457 -0.060 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1)[C@H]1CCCO1 1117544894 RDCPHBBITBEAHZ-VNHYZAJKSA-N 389.412 -0.475 30 20 GBED C=CCn1c(COCC(F)(F)F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1121684281 HZSKWQPPZWMTCL-SNVBAGLBSA-N 388.350 -0.310 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1OC 1213559864 YCWHOYAMGWHJEF-YJNKXOJESA-N 375.491 -0.668 30 20 GBED C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1286966546 UMDKDRBUJDQVSQ-QWHCGFSZSA-N 375.433 -0.316 30 20 GBED C=C(C)COCCNC(=O)C(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1 1329685757 JXRODDITALCLDG-UHFFFAOYSA-N 379.417 -0.063 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H](C(=O)NCCC)C2)C1=O 1331193558 QDAWYDBQIAFPIT-LSDHHAIUSA-N 378.473 -0.004 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1336168708 OXAUXKFSSQCWLF-LBPRGKRZSA-N 394.428 -0.351 30 20 GBED CN(C(=O)CN1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1)C1CCCCC1 1559096912 WGAWTQPJCMPFPH-UHFFFAOYSA-N 388.472 -0.142 30 20 GBED C[C@H](C#N)C(=O)N1CCC[C@H](N(CCO)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573568175 YWSQFODWHJWELH-YPMHNXCESA-N 386.416 -0.220 30 20 GBED C[C@@H](C(=O)N1CCCC1)N1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1573628907 PCCKPUGJIXEMRG-LBPRGKRZSA-N 382.432 -0.339 30 20 GBED Cc1nc(N2C[C@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)ccc1-c1nn[nH]n1 1581483945 ZERXPHAWMFBENT-KGLIPLIRSA-N 379.384 -0.251 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](CO)N=c1cc[nH]cc1-c1nn[nH]n1 1588404194 FHVKGYMLQDKTRD-IUODEOHRSA-N 388.432 -0.957 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[nH]n3)s2)C[C@H]1O 1588505942 ZQVWARUBYMBUDQ-WFEFGEHDSA-N 399.864 -0.031 30 20 GBED C=CCNC(=O)CN[C@H](C)[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1588660116 WIBLILLIOBHYQX-RISCZKNCSA-N 388.432 -0.684 30 20 GBED C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588671308 GLMJJHKJBUUKTI-LBPRGKRZSA-N 375.389 -0.645 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)O)C[C@@H]23)CC1 1602725600 CVLRHENECZKSOM-SYQHCUMBSA-N 384.458 -0.720 30 20 GBED CCOC(=O)c1c(NC(=O)N2C[C@H](O)[C@@H](CO)C2)c(C#N)cn1CCOC 1623545891 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C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CNC(=N)N)[C@H]1c1cccnc1 1807053128 XEISGTWYROVNOT-FRFSOERESA-N 386.456 -0.391 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819673415 VZPBFNPNIPZHJF-SSDOTTSWSA-N 375.366 -0.981 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)CC1 1831014391 KACJXWGDEQYIJA-SFHVURJKSA-N 392.412 -0.801 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1831433703 LVUXCFFCANYMJY-RDTXWAMCSA-N 383.445 -0.701 30 20 GBED CN(C)c1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)o1 1834760936 WMOXIHQYKGIQTD-QGZVFWFLSA-N 377.401 -0.276 30 20 GBED N#CCC(=O)N1CCC(N2CCC(NC(=O)c3cnc(O)nc3O)CC2)CC1 1835068992 JZWSEUOVSMRYMW-UHFFFAOYSA-N 388.428 -0.013 30 20 GBED CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)CC#N)CC2)CC1)C(=O)O 1837634325 LKMWTPGZVOVFJM-HNNXBMFYSA-N 380.445 -0.039 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839437305 QEJRNQZYSGVVIJ-HXUWFJFHSA-N 395.419 -0.030 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)nc3cccnn23)C1 1844672664 DBUMCJZIIOHXSS-AWEZNQCLSA-N 395.419 -0.055 30 20 GBED CN(C)C(=O)CN/C(=N/C[C@@H]1CCOC1)N1CCO[C@@H](c2cnn(C)c2)C1 262285573 KBNZRNQBNHIGFA-GOEBONIOSA-N 378.477 -0.136 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)C(=O)C1(C)C 349479305 UNXUVQWIMNKQIF-GFCCVEGCSA-N 394.519 -0.567 30 20 GBED CN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)CC1=O 349479827 KBKDSCLYBMRHIO-UHFFFAOYSA-N 386.455 -0.707 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCn2ncnc2C1 349481976 PTBGEHLBZLIGJQ-UHFFFAOYSA-N 396.454 -0.373 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](C2CCOCC2)C1 349491435 HNRZADSNULMNDW-CQSZACIVSA-N 379.504 -0.102 30 20 GBED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1CC[C@H](O)C12CCCC2 349604377 DQIDVKFPJOWBSU-ZDUSSCGKSA-N 379.504 -0.081 30 20 GBED Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(C#N)o2)c1=O 440394389 ZKLVGXLDTHTSFG-UHFFFAOYSA-N 386.458 -0.010 30 20 GBED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C#N)cs2)c1=O 481980451 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N#Cc1cncc(S(=O)(=O)NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1 813983654 DPRJXZSWHDTUET-UHFFFAOYSA-N 393.406 -0.744 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CCN(C)C(=O)OC(C)(C)C)CC1 831574663 LJAMDMPJOFQKFH-UHFFFAOYSA-N 388.490 -0.145 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c[nH]c(C(=O)O)c2)c1=O 833368343 MIUMDDAONLGUTE-UHFFFAOYSA-N 382.401 -0.649 30 20 GBED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(N2CC[C@@H](O)C2)C1 846514346 RRUBWGXFSRMHGK-CQSZACIVSA-N 392.481 -0.217 30 20 GBED N#Cc1cccc([C@H]2CN(C(=O)NCCOCCS(N)(=O)=O)CCO2)c1 854137540 DEWYINBCFXUQIZ-OAHLLOKOSA-N 382.442 -0.054 30 20 GBED COC(=O)C1(C#N)CCN(C(=O)CNS(=O)(=O)c2ccccc2N)CC1 854823167 BNZRUZWVXADQPD-UHFFFAOYSA-N 380.426 -0.148 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(N2CCCC2=O)C1 888766483 ZFEDAWCTCZVPLA-UHFFFAOYSA-N 376.438 -0.052 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2COc3ccccc3C2)CC1 892063614 NMWMXWORQSNUCZ-OAHLLOKOSA-N 378.454 -0.215 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(NC(=O)CCC)CC2)c1=O 917451767 LPQHDZGEMUUMMS-UHFFFAOYSA-N 391.472 -0.118 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 920604647 AFSCBCKFDKYXBU-GOSISDBHSA-N 389.412 -0.213 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1OC 946818777 MZEHEVCSYVBPNA-LVQVYYBASA-N 378.429 -0.268 30 20 GBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@@H]1O 969413305 ROMABRKLIXQJMC-ZFORQUDYSA-N 398.459 -0.050 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]2C1 986718620 VVJWXKOZBBALRX-BARDWOONSA-N 390.440 -0.564 30 20 GBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2ccc(O)nc2=O)c1 998004939 IPLCKUYKTIVPLM-DYEKYZERSA-N 382.380 -0.289 30 20 GBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1O 1041336100 DXYSWOQSUJMQBF-OIMNJJJWSA-N 377.832 -0.003 30 20 GBED N#CCN1CCN([C@H]2CCCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)C(=O)C1 1071269201 MQQDQSUXQAWHJC-NBOOPKSLSA-N 376.457 -0.303 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc(-n2cnnn2)cn1 1110843965 CYBVZXJBUSSOBI-WQVCFCJDSA-N 382.428 -0.305 30 20 GBED COC(=O)C[C@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)CCO1 1117019437 GDPHYEMPPFLONR-ZDUSSCGKSA-N 375.385 -0.728 30 20 GBED CN1CCC(N2CC[C@@H](N(C)C(=O)C(=O)NC3CCN(CC#N)CC3)C2)CC1 1117326283 GZBRWPIWQAALJO-GOSISDBHSA-N 390.532 -0.283 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(C(C)(C)COC)CC1 1118116884 ORVXMZIDRKMCAF-UHFFFAOYSA-N 375.491 -0.727 30 20 GBED C=CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@H]1C 1215585885 PMWUAURFXFDLBP-KBUPBQIOSA-N 388.472 -0.028 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H](O)CN1CCCC1=O 1319192086 KRLRCOMMALMMDZ-ZDUSSCGKSA-N 377.372 -0.124 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1326800897 ISVYGVPBUCHATA-UHFFFAOYSA-N 390.415 -0.326 30 20 GBED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(=O)NCCCCC#N)CC1 1328617613 NLBIQYXCBCCODF-UHFFFAOYSA-N 397.457 -0.066 30 20 GBED COCCN1[C@@H](C)CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C[C@H]1C 1329382595 LWISCSQKJLWQFF-UXLLHSPISA-N 377.489 -0.247 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCc2nnnn2C2CC2)CC1 1329383775 WKJMCZCFVYKBGE-UHFFFAOYSA-N 380.412 -0.155 30 20 GBED COCCN(CC(F)F)C(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1331045803 PJFMOXYSZKLDOF-UHFFFAOYSA-N 398.414 -0.011 30 20 GBED C=CC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)O 1339860762 CCVHODPYVZFMPA-ZDUSSCGKSA-N 383.426 -0.070 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(C)CC2)cc1 1350837840 DYJSDKQGIWRVGK-UHFFFAOYSA-N 380.470 -0.345 30 20 GBED N#Cc1cncc(N2CC[C@@](O)(CNC(=O)c3cncc(-c4cnn[nH]4)c3)C2)n1 1577719774 ZNJZEEHKEAUHSV-GOSISDBHSA-N 391.395 -0.100 30 20 GBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H](O)C2)cn1 1581871123 IGGRXADJEHBIFB-IUODEOHRSA-N 379.384 -0.169 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(c2nc(C)cc(-c3nn[nH]n3)n2)C1 1588351517 XRBXJPRNRWVQET-HIFRSBDPSA-N 381.444 -0.242 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C2)CC1 1588352194 VGQZQLXLGPZHHW-CQSZACIVSA-N 381.444 -0.303 30 20 GBED C#Cc1ccc(C(=O)NC[C@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)nc1 1588371761 UBWZAOQGFFYYKN-GOSISDBHSA-N 391.395 -0.596 30 20 GBED C=CCn1c(Cc2ccc(-c3nn[nH]n3)cn2)nnc1N1CCCNC(=O)C1 1588708629 JZCIUMMMWDSHQK-UHFFFAOYSA-N 380.416 -0.044 30 20 GBED C=CCOC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O 1588850739 BIISAKZKHFJQMZ-BXUZGUMPSA-N 381.410 -0.003 30 20 GBED N#C[C@H](C(=O)c1cccc(OCC(=O)O)c1)C(=O)N1CCS(=O)(=O)CC1 1601047509 RVVZIACZOFRBQN-CYBMUJFWSA-N 380.378 -0.271 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](O)CN=c1cc[nH]cc1-c1nn[nH]n1 1602756792 XUZJIUCZEDKCQG-DOMZBBRYSA-N 388.432 -0.957 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](O)CN=c1cc[nH]cc1-c1nn[nH]n1 1602756794 XUZJIUCZEDKCQG-SWLSCSKDSA-N 388.432 -0.957 30 20 GBED N#CCSCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[nH]n3)nc2)C1 1606351518 USMMYAZZXXCCFF-INIZCTEOSA-N 388.457 -0.034 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](CO)CC1OCCO1 1643839711 UCTKQQKPBVRRGE-AAEUAGOBSA-N 383.426 -0.535 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1781399060 AYLKETVCERRTOK-CPUCHLNUSA-N 393.448 -0.135 30 20 GBED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)c1 1781961872 SJUZXUNDNVWJAV-SFHVURJKSA-N 399.386 -0.172 30 20 GBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NS(=O)(=O)CC 1793316258 JCAHPJWZDQBPRK-AYDFFVQHSA-N 385.486 -0.683 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1793342763 PVNDCZBOMWZICL-RVMXOQNASA-N 391.384 -0.441 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnn3n1)C2 1793344252 GGCMZOSLQTZOJK-ZXFNITATSA-N 397.435 -0.029 30 20 GBED CCNC(=S)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1800183461 PNUGUDPNKBQTFH-DABQJJPHSA-N 381.502 -0.390 30 20 GBED C[C@H](Cc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1801226966 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KRKXVQQYNNYUIV-GVXVVHGQSA-N 391.457 -0.418 30 20 GBED CC/N=C(/NCCN1CCCS1(=O)=O)N1CCN(c2cnn(C)c2)C(=O)C1 261666674 GJISFIBLVXKFDA-UHFFFAOYSA-N 397.505 -0.930 30 20 GBED C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 282977275 PILLHJDQDFEPJN-UHFFFAOYSA-N 397.447 -0.410 30 20 GBED Cn1nncc1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 288936391 ZEXGKNKAKMDIBE-UHFFFAOYSA-N 389.441 -0.097 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCS(=O)(=O)N(C)C 290983688 POXHCIQVDQRIMH-LBPRGKRZSA-N 381.462 -0.540 30 20 GBED Cn1cc(CN2CCN(/C(O)=N/C[C@H]3CCCN3S(C)(=O)=O)CC2)cn1 328669123 DZDCGYSWINWIMB-OAHLLOKOSA-N 384.506 -0.124 30 20 GBED CCN(C1COC1)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(C#N)cn1 349475330 MJVBFOZTDPOJIF-UHFFFAOYSA-N 388.471 0.136 30 20 GBED C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)CCCS(=O)(=O)N(C)CC#N 349485538 URLMPVDSHAXEIF-JWCBKOKGSA-N 385.533 -0.667 30 20 GBED C[C@@H](O)[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)C1 349494456 CKDULCGADUSKDB-OLZOCXBDSA-N 381.520 -0.027 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N1CCCOC1 349516170 XTGQTUAEDGTXFW-GFCCVEGCSA-N 383.517 -0.343 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 349581605 VZCUJHNDBMFNNA-RVMXOQNASA-N 379.504 -0.059 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)N(C)CCNS(=O)(=O)N(C)C[C@@H](C)C#N 410385977 JKOXNDBDEYNIDZ-QWHCGFSZSA-N 394.523 -0.820 30 20 GBED N#Cc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)s1 435432612 JQYHYLHNJPYEFA-NWDGAFQWSA-N 391.496 -0.604 30 20 GBED CC(=O)NC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCO1 482225246 ROPQGLFYEJFXFM-IUODEOHRSA-N 394.453 -0.411 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2(C(N)=O)CC2)cc1 501023273 KEORKJQRZCMYBX-UHFFFAOYSA-N 380.426 -0.434 30 20 GBED COc1ccc(CCNS(=O)(=O)N(C)[C@H](C)CC#N)cc1S(N)(=O)=O 509193665 CZQILKAZECULKZ-LLVKDONJSA-N 390.487 -0.047 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)C1=O 521212870 IQELJYACXDEBPH-ZDUSSCGKSA-N 385.424 -0.200 30 20 GBED C=CCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)CNC(C)=O)CC1 528294849 ZKQDNPLKUCAUEM-UHFFFAOYSA-N 391.476 -0.223 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@H](C)[C@@](C)(CO)C1 595961451 COZMMFNOAVJZKE-BFHYXJOUSA-N 381.520 -0.170 30 20 GBED CC(C)(O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 725933362 POQJPLWCSDZZPV-UHFFFAOYSA-N 395.437 -0.295 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2c(C)nn(C)c2C)c1=O 758078872 RMOZMORXIXSGFA-UHFFFAOYSA-N 383.477 -0.077 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NCCOc2cccc(C)c2)CC1 761031938 FLTSEFXKROPFNF-UHFFFAOYSA-N 394.497 -0.425 30 20 GBED C=CCS(=O)(=O)CCNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 783618947 XYNKEAGFEOFMDW-UHFFFAOYSA-N 395.485 -0.378 30 20 GBED C#CC[C@H](CO)NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 816671298 SREHUIDLGJDCHP-MRXNPFEDSA-N 393.465 -0.347 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[nH]cnc2n1 1006384285 LEFSGKLPOKTOQA-FPVZYODXSA-N 398.423 -0.130 30 20 GBED C#CCOCCC(=O)N1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 1073604545 LUCKCEIBRMUIRF-KURKYZTESA-N 375.469 -0.051 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)N2CCNC(=O)C2)cc1 1097626954 YGJCVAOVEVQMDX-KURKYZTESA-N 380.448 -0.039 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCCN1c1ncccn1 1110687618 WNIWJTHZDQMJIR-WCXIOVBPSA-N 382.468 -0.084 30 20 GBED Cc1nn(C)c(N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N 1116734455 UHJUMQRJRLPDLD-CYBMUJFWSA-N 380.474 -0.975 30 20 GBED C#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 1129271355 BTJUFSKYOSXULI-FPCVCCKLSA-N 382.424 -0.234 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 1261230065 XBHNFPISWWNWFY-NSHDSACASA-N 391.396 -0.324 30 20 GBED C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 1262039978 AEUZYVPHRISDMO-MRXNPFEDSA-N 375.473 -0.440 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC1(C(=O)OC)CCS(=O)(=O)CC1 1321234360 VQLAEEKIPQQYRC-NSHDSACASA-N 381.476 -0.577 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CCO1 1322235451 QIZPUMIRCPAYNP-QGZVFWFLSA-N 399.451 -0.408 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1)[C@@H]1CCCO1 1323818880 BGOFBAJICADFDO-OLZOCXBDSA-N 399.494 -0.218 30 20 GBED CCOC(=O)CS(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1325503026 ZRLDNWBQWBPXRA-LBPRGKRZSA-N 379.394 -0.080 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCCn1cncn1 1336098660 BFDRKGPWKMQRPU-ZDUSSCGKSA-N 383.416 -0.817 30 20 GBED COc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](C#N)C3)C2=O)cc1 1346554698 CKOISNGJQICUGP-JKSUJKDBSA-N 386.408 -0.337 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1=O 1588654304 DGECXOAUHXBOKQ-AWEZNQCLSA-N 383.412 -0.272 30 20 GBED C#CCN1CCC(C(=O)NCCN(CC)c2cncc(-c3nn[nH]n3)n2)CC1 1602718594 YBPDLYLUGXGQLE-UHFFFAOYSA-N 383.460 -0.056 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 1609077463 KXEQNNFYYPOAQS-VHSXEESVSA-N 388.392 -0.667 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783165383 QSPROJBVVBNANK-AUUYWEPGSA-N 393.440 -0.538 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1783211097 AHXBJYWVQFJTJF-KSSFIOAISA-N 378.425 -0.192 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1788472636 DVBCVSQHOKGUNO-ABHRYQDASA-N 394.428 -0.666 30 20 GBED Cn1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)n1 1789343001 ZPAXYFRNUWGQSI-YDHLFZDLSA-N 383.412 -0.078 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCSCC2)CC1 1792463564 NDXKYLWGTPMGDZ-MIFYACCESA-N 378.498 -0.071 30 20 GBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C(C)=O)CC1 1797306337 WHDUJCHRSVHYQS-HGKCTWBKSA-N 378.473 -0.684 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Cl)nn1 1798037697 JSLINLYRJWXJRN-KEODLESXSA-N 378.772 -0.579 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1799395179 JRUVMZXMGKHKAJ-IATJYDTKSA-N 382.461 -0.900 30 20 GBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](O)N2CCOCC2)C3)c1 1799420212 NRCVKQBAFWICSI-NXEZDXNNSA-N 387.440 -0.211 30 20 GBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1800984597 AJBZJJISTZYESI-SDNRWEOFSA-N 384.376 0.000 30 20 GBED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)[C@H]2c2cccnc2)CC1 1806846919 HXAOLNVPUKRFGL-UXLLHSPISA-N 398.467 -0.016 30 20 GBED N=C1NCCN1CC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1807119149 PRBDYPFCWKTVJQ-RDTXWAMCSA-N 398.423 -0.985 30 20 GBED C[C@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1)n1cnnn1 1822203758 NTTNDQYPDLSHHU-ZYHUDNBSSA-N 386.372 -0.263 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833478100 DWJPZYFSVUQVDH-SJKOYZFVSA-N 397.453 -0.526 30 20 GBED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1837690525 SPBAPWRBTQUSAI-LIRRHRJNSA-N 392.456 -0.317 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncon3)CCO2)C1 1838313900 MYTMBPPOPDGFRZ-SUMWQHHRSA-N 380.401 -0.269 30 20 GBED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1cccc1 1840043926 CHFMSYIKJPDCJE-HNAYVOBHSA-N 389.408 -0.407 30 20 GBED C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840429832 FOAFZKBOHOOPBB-MAUKXSAKSA-N 375.429 -0.111 30 20 GBED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840435738 MOVQIWAGCSCWAJ-IBGZPJMESA-N 389.456 -0.050 30 20 GBED C/C(=C/C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)C(=O)O 1840836923 VSGFEHFVAADORP-RUEYPURISA-N 377.397 -0.223 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc(C)c(O)nc1=O 1847803904 BMCCFQYKJSAKCQ-KKUMJFAQSA-N 388.424 -0.503 30 20 GBED COC(=O)CNC(=O)CCN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 264651769 YHNWYUFJATVUJC-UHFFFAOYSA-N 394.453 -0.456 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCCC[C@H]1CNC(N)=O)c1cc[nH]n1 278201007 SDPBMKPFWTYGFK-RIVUKREYSA-N 380.405 -0.257 30 20 GBED C[C@H](CCN1CCN(C)CC1)/N=C(/O)N[C@@H]1CCCN(S(C)(=O)=O)C1 329979137 JAADQAXJKNQRET-HUUCEWRRSA-N 375.539 -0.060 30 20 GBED C[C@@H]1CC[C@@H](C)N1CCN1CCN(/C(O)=N/CCNS(C)(=O)=O)CC1 330652412 YPTYVMBOJJRMFK-HUUCEWRRSA-N 375.539 -0.060 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)CC[C@H]2C1 349528715 YDQXMODOPKOGND-STQMWFEESA-N 392.503 -0.813 30 20 GBED C[C@@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)Nc1nc2ccccn2n1 349620901 STBPEPNHPAGLIP-NSHDSACASA-N 386.459 0.083 30 20 GBED C=CCn1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)nn1 424905948 CNKKIAJWXSRISB-LLVKDONJSA-N 392.441 -0.454 30 20 GBED CCOC(=O)Cn1cnc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)n1 425696507 AXWQUMMRXVOGLK-GFCCVEGCSA-N 399.415 0.245 30 20 GBED N#Cc1ccc(C[C@H](C#N)C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cc1 472507435 WPGGCSNBXMZEHX-OAHLLOKOSA-N 399.436 -0.108 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CC(N)=O)cc1 493883175 MKBNMTKPGNLZPF-NSHDSACASA-N 382.442 -0.188 30 20 GBED CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)cc2)CC1 517328720 MUJKMTYRMDNTIE-INIZCTEOSA-N 385.424 -0.236 30 20 GBED COCCOCCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 551098120 ZTQNYEFMCDVZAF-UHFFFAOYSA-N 378.433 -0.972 30 20 GBED N#Cc1ccc(C(=O)CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 557106128 IIXKECVFIGVZQD-LSDHHAIUSA-N 389.433 -0.107 30 20 GBED N#CCN(C1CC1)S(=O)(=O)c1ccccc1S(=O)(=O)NC1(C(N)=O)CC1 573138392 JTADDSRTPDZYNA-UHFFFAOYSA-N 398.466 -0.341 30 20 GBED C[C@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)CN1CCOCC1 574088964 GETNLVFQHYSAMP-CQSZACIVSA-N 380.470 -0.079 30 20 GBED CCOC[C@H]1CN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCO1 599544478 LJYZDUZINQMGPO-MRXNPFEDSA-N 387.440 -0.134 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 613246054 SUPHRYQVLHYPPH-HNNXBMFYSA-N 393.469 -0.035 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H](CO)c2nc(-c3ccccc3)no2)CCO1 619710414 GNSMZYNKXYHNRQ-OLZOCXBDSA-N 379.398 -0.171 30 20 GBED C=CCCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 673595306 MHYZIFUNHZHLJR-UHFFFAOYSA-N 396.469 -0.377 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cccc(C(C)=O)c2)CC1 761023569 IKPKRCSHRRAMIZ-UHFFFAOYSA-N 378.454 -0.087 30 20 GBED CC(=O)N[C@H]1CCCN(C(=O)CON=C(N)c2ccc(S(C)(=O)=O)cc2)C1 762739413 OXBKGFHIRXIWEY-AWEZNQCLSA-N 396.469 -0.146 30 20 GBED C#CCOCCNC(=O)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1 784551636 JGLMFYKLAXWYSD-GFCCVEGCSA-N 382.442 -0.129 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2COC3(CCOCC3)O2)c1 810923784 XBJHXVHXYUIMNV-CQSZACIVSA-N 395.437 -0.125 30 20 GBED CCOCCCn1c(NN=C2C(=O)NC(=O)NC2=O)nc2ccccc2c1=O 814216836 FFFIGBXINKYERW-UHFFFAOYSA-N 386.368 -0.043 30 20 GBED CN1CCN(S(=O)(=O)c2ccc(NN=C3CCN(CCO)CC3)nc2)CC1 819804955 MPGYSXGSDHVBQG-UHFFFAOYSA-N 396.517 -0.126 30 20 GBED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)c1ccccc1 832668819 XANSBPDQCDXMDG-QGZVFWFLSA-N 396.451 -0.010 30 20 GBED O=C(O)C#CC1CCN(S(=O)(=O)c2cnc3nc(O)nc(O)c3c2)CC1 844817011 NHGWPOHNXQMMFZ-UHFFFAOYSA-N 378.366 -0.075 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)[C@H](C)[C@H]1C 848958348 LMESUWBWQJGAAQ-HUUCEWRRSA-N 390.531 -0.481 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(Cc3ccccc3)C2=O)CC1 931880265 YYUARQBTOJQEIF-GOSISDBHSA-N 382.464 -0.071 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COc2c(C)occc2=O)C[C@@H]1O 970702709 YORSTIONGBGVMI-VDERGJSUSA-N 392.408 -0.394 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCN(C)[C@@H]3CC)C[C@H]2O)CC1 1024131269 DRKGYRFOXXRMNN-WJFTUGDTSA-N 390.528 -0.250 30 20 GBED N#Cc1ccc(N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 1051480313 OCADDYAVNBNXBX-FTBKSCEHSA-N 392.423 -0.091 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2cn(C)c(=O)nc2O)n1 1055338838 ZCOSKPXETBLYPR-BNOWGMLFSA-N 381.396 -0.004 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCN1C(=O)CCC1=O 1110627920 ZZXCDBPXUUPFGI-KFWWJZLASA-N 376.457 -0.061 30 20 GBED C#CCNC(=O)CN1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1130405823 PKVXWZNTYNIFTR-LHFCKMJTSA-N 397.479 -0.012 30 20 GBED COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1301732909 XBTFZUIXKRZZFK-KGLIPLIRSA-N 377.449 -0.464 30 20 GBED COCC1(C)CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1323419746 JHKLTSKNIJURDL-PFONDFGASA-N 378.429 -0.096 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O 1323505860 XITIMUYFMUEWPP-UMCXVIDHSA-N 392.456 -0.080 30 20 GBED N#Cc1ccc(CNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 1328243075 OSRJVYFADKLTRQ-UHFFFAOYSA-N 383.452 -0.059 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@H](N2CC=CC2)C1 1328534243 VQMXWHMGMXWSRH-CVEARBPZSA-N 395.467 -0.142 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@H]2C[C@H]3CC[C@H]2C3)CC1 1334708993 IOFLNEPEOXWAMR-SOUVJXGZSA-N 379.490 -0.301 30 20 GBED C=C(C)Cn1c(C[S@@](C)=O)nnc1N1CCN(CC(=O)NCCOC)CC1 1343617146 CZVUFJOOMVLGCF-HHHXNRCGSA-N 398.533 -0.383 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(CCCOCC(F)(F)F)CC2)CCO1 1348195860 SZNFCFXDKTTYTJ-CYBMUJFWSA-N 392.378 -0.149 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)N2CCOC[C@H]2CCO)CC1 1353107362 IEIWZGAOSPKEPL-CYBMUJFWSA-N 378.454 -0.122 30 20 GBED COc1cccc(NC(=O)CN(C)C(=O)Cn2c(=O)c(C#N)c(C)n(C)c2=O)c1 1459211756 RCTYBFWLKUWTTG-UHFFFAOYSA-N 399.407 -0.167 30 20 GBED COC(=O)CCN1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@@H]1C 1546259633 WPCBWXKSZPVFGR-LBPRGKRZSA-N 377.401 -0.694 30 20 GBED C=CCNC(=O)Cn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@H]1C[C@@H](N)C1 1574937016 RBDZRZXLLMCQPJ-JCGVRSQUSA-N 389.460 -0.184 30 20 GBED C#CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)C[C@H]2CCOC2)CC1 1575004288 DBARUQCVFGYJPP-OAHLLOKOSA-N 388.472 -0.226 30 20 GBED C=CCCO[C@H](C)C(=O)N1CCN(C(=O)CC(=O)NCc2cnn[nH]2)CC1 1575100598 SQDXUEPLWDJDEI-CYBMUJFWSA-N 378.433 -0.537 30 20 GBED CCN(CCC#N)C(=O)CN[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1577909253 JJZSJWAUTPJTPO-CYBMUJFWSA-N 385.432 -0.239 30 20 GBED CN(C[C@H](O)CN(C)c1cnc(C#N)cn1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1579027401 FXIKRSIWDVBZLR-GFCCVEGCSA-N 382.388 -0.574 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@H]3[C@H](NC(=O)c4c[nH]c(-c5nn[nH]n5)c4)[C@H]3C2)c1 1581862288 WMCJDAOBZQXNFS-YABSGUDNSA-N 377.368 -0.105 30 20 GBED Cn1c(C[C@H](O)CC#N)nnc1N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 1592554044 FTEFBKFOMWWZHM-CYBMUJFWSA-N 395.431 -0.466 30 20 GBED C#CCN(CC(=O)O)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1602691762 XRJTUCPSQLDRJH-UHFFFAOYSA-N 396.421 -0.124 30 20 GBED CO[C@]1(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCS(=O)(=O)C1 1618731562 NLBLGERPGLPVTL-CRAIPNDOSA-N 391.449 -0.021 30 20 GBED C[C@@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066716 CHAHORPOBBFOBS-UZLBHIALSA-N 391.468 -0.351 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](O)N4CCOCC4)C3)C2)CCC1 1779099033 OYCNECGCBRTKQA-BEFAXECRSA-N 392.456 -0.839 30 20 GBED C#CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784117703 LLFBRXYAUDJSBF-FQEVSTJZSA-N 387.436 -0.065 30 20 GBED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1785014652 YAHGKJPARDTETM-AJNGGQMLSA-N 398.529 -0.522 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(O)cn3)[C@H]2C1 1791711812 ZDVNGRPFOIFHKC-RCBQFDQVSA-N 387.392 -0.603 30 20 GBED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2 1793349083 BAARTXPIYNSMGZ-KRXQYRFLSA-N 379.457 -0.163 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1794111658 SRRCYNZMZCEYJR-LSSIXWDNSA-N 386.408 -0.785 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 1796027757 ACIGKMOZGACFDH-CLLJXQQHSA-N 375.433 -0.710 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)[nH]n1 1798645651 DJEHROPYCLZJOH-OLDVJPBNSA-N 387.440 -0.220 30 20 GBED N=C(N)SCC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812876682 UELCAWHFGMSRAX-BLLLJJGKSA-N 389.437 -0.198 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1830053324 NTQZJLLKCCNCJH-IBGZPJMESA-N 388.424 -0.060 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)[C@@H](C)CC)C2)C1 1831388794 XPMHOYQEUYUHTC-TVKQPGBESA-N 396.484 -0.112 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835250566 UYRZUXSTSRHBHU-MRXNPFEDSA-N 387.458 -0.963 30 20 GBED C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840024613 FTTVFGMGENSHSF-KNQUQLGCSA-N 399.444 -0.647 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1840169537 KDYUCUYLPHNUDG-HNAYVOBHSA-N 377.441 -0.618 30 20 GBED CN(C)C(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812834 NXYVFOUCNLCVFA-SFHVURJKSA-N 378.429 -0.775 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCS2(=O)=O)C1 1845911025 RCGQZXROZIGXNJ-AFNCTOJWSA-N 395.481 -0.375 30 20 GBED C/N=C(/NCCN1CCOCC1(C)C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 261757851 MRIQRWZHDYZTEH-IBGZPJMESA-N 394.520 -0.017 30 20 GBED C/N=C(/NCC(C)(C)C(N)=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261855137 YNVJBPGFHGPKMV-UHFFFAOYSA-N 386.478 -0.791 30 20 GBED CC(C)/N=C(/NC[C@@H]1CCS(=O)(=O)C1)N1CCN(C(C)(C)C(N)=O)CC1 262454593 WNVCDSBTAXXLPP-AWEZNQCLSA-N 387.550 -0.343 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCN1C(=O)CNC1=O 268873957 DJGKRLJSWNCYBE-NSHDSACASA-N 393.425 -0.717 30 20 GBED C#CCN(C)CCCNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 294098262 YDWVYCQXJZHSSD-CQSZACIVSA-N 392.481 -0.242 30 20 GBED O=C([C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)N1CC[C@@H](N/C(O)=N/C2CC2)C1 329515686 OQDZLKFBFRFMDJ-KFWWJZLASA-N 380.445 -0.340 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(/C(O)=N/[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 331203816 WTZXDNVKWRUKGA-ZDUSSCGKSA-N 381.477 -0.031 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 349454113 BUMAXWKTIGNSPO-QSLWVIQJSA-N 375.472 -0.577 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C2(C#N)CCC2)CC1=O 349489787 HGWYVNDJRVWGCD-UHFFFAOYSA-N 392.503 -0.812 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](C2CCOCC2)C1 349491434 HNRZADSNULMNDW-AWEZNQCLSA-N 379.504 -0.102 30 20 GBED CN1CCCN(S(=O)(=O)CCCCS(=O)(=O)NC2(C#N)CC2)CC1 349593669 VFCPTGXSILPPHX-UHFFFAOYSA-N 378.520 -0.291 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C)CCN3CCCC3)CC2)c1C#N 410439145 VMSXPMUFZXWGPH-UHFFFAOYSA-N 387.488 -0.197 30 20 GBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1C#N 465408890 VHYCDYRVMZYPES-LBPRGKRZSA-N 389.430 -0.379 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)NC[C@@H]3CS(=O)(=O)CCO3)CC2)c1 509137052 KXZMKFBOODRQKB-CQSZACIVSA-N 379.442 -0.402 30 20 GBED C[C@@]1(CO)CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@]1(C)CO 529967436 WHLBOITYJLSMPF-CALCHBBNSA-N 381.454 -0.324 30 20 GBED N#Cc1ccsc1NC(=O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 533424646 FIKMRFBXKHBSNU-UHFFFAOYSA-N 389.437 -0.149 30 20 GBED COc1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1NS(C)(=O)=O 539164189 WZIGIKFVJZTJPD-NSHDSACASA-N 382.398 -0.244 30 20 GBED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)cc1 547963063 YQKPLFRVWMYYEC-AWEZNQCLSA-N 397.456 -0.188 30 20 GBED N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 569471561 GKTUGPJGVCKRGM-GHMZBOCLSA-N 389.227 -0.026 30 20 GBED C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2cnccc2C#N)CC1 579908967 QOOWPEUDVRDCDA-DZGCQCFKSA-N 377.470 -0.233 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)CC[C@H]2C1 580329410 WQMZLDYDMUSITK-LBPRGKRZSA-N 392.503 -0.766 30 20 GBED COC[C@@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@H]1CCCO1 589143725 CGGYOKZJJMPSES-ZIAGYGMSSA-N 378.433 -0.435 30 20 GBED N#CC1(NS(=O)(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCC(=O)N3)cc2)CC1 595951918 VPVOBWDMFHFXRT-NSHDSACASA-N 398.466 -0.422 30 20 GBED COc1cc(NC(=O)C(=O)N2CCN(CC(=O)N(C)C)CC2)c(F)cc1C#N 599965840 YSWKQODEKKNHQL-UHFFFAOYSA-N 391.403 -0.123 30 20 GBED C=CCn1nnn(CN2CCN(S(=O)(=O)CCCOC)CC2)c1=S 769846601 YPDAACLWLZYBQQ-UHFFFAOYSA-N 376.508 -0.064 30 20 GBED CC(=O)Nc1cccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 771888728 GBQTVHBSVAKGDI-UHFFFAOYSA-N 393.425 -0.255 30 20 GBED CNS(=O)(=O)CCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 777119474 OLPIZZOHNSSGPH-NSHDSACASA-N 389.455 -0.292 30 20 GBED C#CCOc1cccc(NC(=O)C(=O)N(CCO)CCN2CCOCC2)c1 783469209 GUVOUXMRBZESEV-UHFFFAOYSA-N 375.425 -0.210 30 20 GBED C=CCN1CC[C@H](OC(=O)CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1=O 798585003 OSCRKWJDAVEGDX-ZDUSSCGKSA-N 398.397 -0.016 30 20 GBED Cn1c(=O)c2cc(C(=O)OCCOC3(C#N)CCOCC3)n(C)c2n(C)c1=O 809084051 WYQCSTSMLINVHW-UHFFFAOYSA-N 390.396 -0.178 30 20 GBED COCCN1C[C@H](C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)CC1=O 816127772 HTQWMPMJQGUVDU-LLVKDONJSA-N 396.381 -0.234 30 20 GBED C#CCN1CCN(C(=O)Cn2nc(CC)c(CC)c(-c3nn[nH]n3)c2=O)CC1 819701291 BOSOVLWDXOSNKK-UHFFFAOYSA-N 384.444 -0.674 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)N(C)CCO3)CC1 831568287 DQLHPDWJZIMYBG-UHFFFAOYSA-N 378.454 -0.259 30 20 GBED C#CCN(CC(=O)Nc1cnn(CC(=O)NCCO)c1)C(=O)OC(C)(C)C 831707079 VMZGQHHCGSVWDR-UHFFFAOYSA-N 379.417 -0.200 30 20 GBED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)C2CNC2)c1 841242703 JXQIGMXTKCNCEM-HKWRFOASSA-N 393.469 -0.132 30 20 GBED C#CCC[C@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 848942263 DTCULRHPAIUXMP-ZDUSSCGKSA-N 385.467 -0.117 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 975260054 FIZSMULZENDYIB-FPCVCCKLSA-N 376.457 -0.931 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCS1(=O)=O 1000570483 MBGFJZSMUONSNY-OWYFMNJBSA-N 397.497 -0.139 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(CC(N)=O)nn1 1006387229 CDOLORYMERBESL-FPVZYODXSA-N 388.428 -0.784 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnc(NC(C)=O)c2)C[C@H]1O 1025710404 NTEQCZMHGJJAFZ-FPCVCCKLSA-N 388.424 -0.067 30 20 GBED C#CCNC(=O)CC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1056029826 WCDQJBBWKQQURB-YQXNLMQOSA-N 389.452 -0.981 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)NC(=O)NCC 1109167700 FTKUCUCPRUBUIL-MQYQWHSLSA-N 377.445 -0.918 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nc2ncc(C)cn2n1 1110699845 KKVPNDAUGWQBGM-TUVASFSCSA-N 381.440 -0.094 30 20 GBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1111816289 ZAYOCLKHMLAPSE-IMAGNOHSSA-N 375.469 -0.242 30 20 GBED C=CCNc1nnc(S(=O)(=O)[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)s1 1115920478 LBDRZKLJDZEZQQ-BDAKNGLRSA-N 394.500 -0.399 30 20 GBED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2nnn(C)n2)cn1 1321035874 KBQKWFWGASCSPE-JTQLQIEISA-N 377.434 -0.306 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CC[C@@H](N2CCCC2)C1 1322694473 NTHRBTPWVKINTM-JFVSRZABSA-N 375.429 -0.674 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1323261829 OTBHSLKDMQHIFN-DLBZAZTESA-N 392.500 -0.409 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2ccc(S(=O)(=O)NC)cc2)C1=O 1327113673 AQSXMPVKZYNELW-UHFFFAOYSA-N 395.393 -0.385 30 20 GBED C=CCn1c(-c2n[nH]c3c2CCCC3)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1328074569 UUXKDFBMJMCIFQ-LBPRGKRZSA-N 396.455 -0.120 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCCn3cncn3)C2=O)cc1 1332444993 SNWSQLPUKXCRMJ-MRXNPFEDSA-N 395.423 -0.032 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 1334911226 GQSBBGGIAOXYJG-UHFFFAOYSA-N 378.473 -0.661 30 20 GBED C#CCN(CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC)C(=O)OC(C)(C)C 1336177868 SQMBLMBZAMFKQH-GFCCVEGCSA-N 388.442 -0.345 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NC2CCN(C[C@H]3CCCO3)CC2)nn1 1345682302 DGVZNINZZXJTLO-MRXNPFEDSA-N 376.461 -0.160 30 20 GBED C#CCN1CCC(C(=O)N[C@@H](C)CN(C)[C@@H](C)C(=O)NCc2cnn[nH]2)CC1 1574966752 HCTSDMICHSRNPT-GJZGRUSLSA-N 389.504 -0.409 30 20 GBED CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1579863705 PCFCZLFGACLTBD-CHWSQXEVSA-N 380.372 -0.510 30 20 GBED N#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1581858263 XNNAFXICTJWNRH-SJCJKPOMSA-N 383.416 -0.581 30 20 GBED N#C[C@@]12CN(C(=O)CNc3ccc(-c4nn[nH]n4)cn3)C[C@H]1CS(=O)(=O)C2 1581859824 XMOARKHVUUVRQZ-NHYWBVRUSA-N 388.413 -0.930 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[nH]n3)nn2)C1 1588351123 FOGVRHMTXBHNHN-HIFRSBDPSA-N 381.444 -0.209 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCc1ccc(OC)c(-c2nn[nH]n2)c1)[C@@H]1CCCO1 1602689951 XFPKUEUCQMXSDJ-HIFRSBDPSA-N 384.396 -0.212 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nn[nH]n3)cn2)C1 1602725551 KVOAAUNYDMHWME-SJKOYZFVSA-N 386.416 -0.540 30 20 GBED C#CCOCCn1c(=O)c(-c2nn[nH]n2)cn(CC(=O)OC(C)(C)C)c1=O 1602732212 SPMCTULBQUVCTP-UHFFFAOYSA-N 376.373 -0.818 30 20 GBED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCn1cncn1 1692539429 MJLPSRPRPITIBJ-OAHLLOKOSA-N 398.475 -0.115 30 20 GBED C[C@H](Nc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779331890 RWIZLDZNWWRSBM-LIRRHRJNSA-N 386.408 -0.200 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C3)[C@H]2C1 1790856328 IHEYLBJTKSGIQD-LEOABGAYSA-N 379.457 -0.307 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOC1=O)C2 1793343523 YQMOTKQLVJIVAV-MPTYRVRUSA-N 393.440 -0.543 30 20 GBED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=N)N)cc1 1795535483 VKGZCLUHNVNCTQ-JLVBRIDZSA-N 384.440 -0.827 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(C)C 1795705502 DXXXFTGCLQSPIV-DUGXABPWSA-N 392.500 -0.178 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)CC1 1835342803 QVAWCRIAHHPNMZ-ACJLOTCBSA-N 376.413 -0.975 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN(C)C)CCO2)C1 1835381136 COVMOVUOMMWHDH-LPHOPBHVSA-N 383.489 -0.014 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2 1835858725 IQRVJQVNQWLITM-GOSISDBHSA-N 376.413 -0.011 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H]3[C@@H](CCCN3C)C2)c1=O 164747001 ZSXTYOROLSVUFR-HOTGVXAUSA-N 375.473 -0.083 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)CN2CCN(C)CC2)cc1 264405208 GSYFKOCEERACSV-HNNXBMFYSA-N 378.498 -0.036 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)C2=O)cc1 277346317 XMBXGCBYSBIZBC-HRCADAONSA-N 385.424 -0.009 30 20 GBED C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 282147804 BXVGXUYCFGDYQM-UHFFFAOYSA-N 384.444 -0.208 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 287531203 BCFPYKUFPMOEFO-MIEGDJPQSA-N 391.428 -0.169 30 20 GBED COCCN(CCOC)S(=O)(=O)N1CCN(c2cc(C#N)ccn2)CC1 298328395 RSMRHLDBGHZLEE-UHFFFAOYSA-N 383.474 -0.085 30 20 GBED COCC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 377927232 ZILDAPIXJXOUCY-UHFFFAOYSA-N 397.395 -0.605 30 20 GBED C[C@H](C(=O)N1CCCC1)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409500474 KADUYASPVWDZIM-CABCVRRESA-N 385.490 -0.916 30 20 GBED C=CCN1CC[C@H](N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)C1=O 410423015 WYDHGJKPIYSVMB-LBPRGKRZSA-N 382.442 -0.528 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@](C)(O)CN2CCOCC2)cc1 467498039 AOOKJFPZCMFIPN-SFHVURJKSA-N 397.497 -0.036 30 20 GBED NC(=O)N1CCN2C(=O)N(CC#CCN3C(=O)c4ccccc4C3=O)C(=O)[C@H]2C1 530106747 NTHHDULKFIBXDC-CQSZACIVSA-N 395.375 -0.687 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H]2COC[C@H]2O)cc1 571581182 JPRIHPGGTWZGTI-ZIAGYGMSSA-N 389.455 -0.789 30 20 GBED CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)C#N)cc1 579973097 VNIXOYCMZVGEEP-WDEREUQCSA-N 388.471 -0.368 30 20 GBED N#CC1(NS(=O)(=O)c2ccccc2S(=O)(=O)NC[C@@H]2CCC(=O)N2)CC1 595960994 HDICYXQNPSWRII-NSHDSACASA-N 398.466 -0.422 30 20 GBED COC(=O)CCNC(=O)CCNS(=O)(=O)c1ccc(C#N)cc1C(=O)OC 599476790 LJYHIWYUCAMAEG-UHFFFAOYSA-N 397.409 -0.307 30 20 GBED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](O)[C@H]2CCCO2)c1 600760360 JIAUUQJTRJDGMN-ZIAGYGMSSA-N 389.455 -0.693 30 20 GBED CC#CC[C@@H](CO)NS(=O)(=O)c1c[nH]c(C(=O)N[C@@H](CO)CC#CC)c1 645882156 GGNNTQKYILFXKR-KGLIPLIRSA-N 381.454 -0.429 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 646955210 PCPDBZIYSYHCCE-CQSZACIVSA-N 379.438 -0.044 30 20 GBED C#CCNC(=O)CN1CCN(C[C@@H](O)COc2ccc(C(=O)OC)cc2)CC1 728572307 AGSOLXLAECGVKM-QGZVFWFLSA-N 389.452 -0.420 30 20 GBED NC(=O)CCn1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 735476803 HPFMDLGQDBNIGG-UHFFFAOYSA-N 390.425 -0.174 30 20 GBED C[S@@](=O)CCN1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 741289045 QQOQYMIIHVHPLR-RUZDIDTESA-N 398.510 -0.752 30 20 GBED CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN(CC#N)CC(=O)OC)C1=O 746454508 BZOSVHAXUDVDMY-GOSISDBHSA-N 387.396 -0.127 30 20 GBED C[C@H](CC(=O)NC[C@@H]1CC(C(N)=O)=NO1)/N=C1/NS(=O)(=O)c2ccccc21 793898631 SYAYSQNQSQYNMK-ZJUUUORDSA-N 393.425 -0.750 30 20 GBED C=C[C@@H](O)C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 814546361 AMQAZBKLEFBTHF-CQSZACIVSA-N 384.410 -0.264 30 20 GBED COC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 831067507 SLRAVSMLARIFLQ-JOYOIKCWSA-N 383.382 -0.642 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(C3CCCC3)CCNC2=O)CC1 831584016 DZXWKMMZCKJMLB-KRWDZBQOSA-N 382.486 -0.705 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC[S@](C)=O)cc1 848941138 DKKLUNXDKMJOIZ-SAHAZLINSA-N 393.512 -0.124 30 20 GBED C#C[C@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)N=c1nc(C)[nH]n1C 848969241 FLZRKFDADQOGFP-NSHDSACASA-N 377.492 -0.649 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CC1 874343327 ZFLXEEZHBRUQPZ-NWDGAFQWSA-N 395.403 -0.897 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCC2CCN(C3CC3)CC2)CC1 894473431 SZAQJSDKTUZDHW-UHFFFAOYSA-N 383.518 -0.344 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N(C)C)CC2)c1 914873075 HOUUGWWYWBZREO-UHFFFAOYSA-N 392.481 -0.556 30 20 GBED C#CC1(O)CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 934446603 KUHXXDWYNXLNQV-UHFFFAOYSA-N 381.429 -0.662 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C 940383377 NYTTYIIRNPWCRK-TUVASFSCSA-N 377.445 -0.474 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C1 968089388 BDHMOZOPOQIXPG-FQLMCAECSA-N 390.440 -0.331 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc3nccnc3c2)C[C@@H]1O 970711385 DYGGWIVTHUCTAC-OJLVUWQFSA-N 383.408 -0.083 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCNC(=O)C1 1004924806 ZBRSSJFDQQQXHR-SUJAAXHWSA-N 376.457 -0.743 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2nnn3C)C1 1025332513 PJFZOOQEGVMICY-ZRJCITRHSA-N 386.412 -0.744 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nccn3cc(C)nc23)C[C@H]1O 1025710590 XEPUJOYIPXKVDJ-TUVASFSCSA-N 385.424 -0.070 30 20 GBED N#Cc1nccnc1N1CCN(C(=O)[C@@]23COC[C@@H]2C3)[C@@H]2CS(=O)(=O)C[C@@H]21 1054788427 XIVOKCYPSMNPHP-DPYKFYPSSA-N 389.437 -0.801 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N(CCO)CCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C 1057733393 LWDVFASQDIOPHJ-QXSJWSMHSA-N 381.473 -0.371 30 20 GBED C=CCOCC(=O)N1CCOC2(C1)CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@@H]31)C2 1068356614 BTKUKGPATXBRAU-YQQAZPJKSA-N 380.441 -0.320 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)n(C)c(=O)n1C 1109204046 BHJOGDNHMMTALW-CTYUOQFJSA-N 376.457 -0.367 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCC(N)=O 1111505032 APISCZXHGWXMNJ-SYQHCUMBSA-N 379.461 -0.236 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H](O)Cn3ccnn3)C2=O)cc1 1312624639 FETZNPCZHFNFIZ-HOTGVXAUSA-N 383.412 -0.389 30 20 GBED CN(C(=O)COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(C)(C)C#N 1317823717 XGOVPCURVFUTBA-VXGBXAGGSA-N 385.442 -0.674 30 20 GBED CC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 1322919907 NJJWPWABTUVEDC-ZDUSSCGKSA-N 399.455 -0.488 30 20 GBED COC[C@@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)OC 1323632308 LGSFOQXLRSWCCW-CVEARBPZSA-N 388.424 -0.447 30 20 GBED COc1ccc(N2C[C@@H](NC(=O)C(=O)N3CC[C@](O)(CC#N)C3)CC2=O)cc1 1328544670 HZGVZWGOVOKAJZ-ORAYPTAESA-N 386.408 -0.206 30 20 GBED C#CCN1CCC[C@@H](NC(=O)N(CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1 1337015535 FOXGSJGIRIQMCN-HUUCEWRRSA-N 384.502 -0.581 30 20 GBED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)CC1 1348131770 ZEWOMZJJKLRGHH-KUHUBIRLSA-N 375.473 -0.050 30 20 GBED COC(=O)C1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 1460093175 KYCIHBPCNSLVGP-UHFFFAOYSA-N 381.410 -0.437 30 20 GBED Cc1[nH]c(C#N)cc1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1544484200 RMOKKDKCMRDSRJ-ZDUSSCGKSA-N 393.469 -0.744 30 20 GBED C[C@@H](C#N)C(=O)NC[C@H]1CCC2(CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)O1 1573576558 HMMPWWNJVWWPBT-CMPLNLGQSA-N 384.400 -0.156 30 20 GBED C=CCn1cc(C(=O)N(C)C[C@@H](C)NC(=O)[C@H](C)OCc2cnn[nH]2)nn1 1575111541 GTDISYFNSWQPGZ-NEPJUHHUSA-N 376.421 -0.236 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)CNc1snc(C)c1-c1nn[nH]n1 1588350956 BOZSLLTVYUTZNH-NEPJUHHUSA-N 390.473 -0.382 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)NCc1cccc(-c2nn[nH]n2)c1 1588351104 DYVSNPDJTVZFQI-SJORKVTESA-N 383.456 -0.469 30 20 GBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O 1588616118 WHVGNUAFSJZMGQ-OLZOCXBDSA-N 375.389 -0.911 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)N[C@H](C)CNc1cncc(-c2nn[nH]n2)n1 1588658330 GLSXHPGSCJZYKH-SNVBAGLBSA-N 388.436 -0.163 30 20 GBED CC[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC[C@@H]1NCC(=O)NCC#N 1590521866 SODSZFFLVOFCPY-NEPJUHHUSA-N 385.432 -0.335 30 20 GBED C=CCOCC(=O)N(C)CCN1CCN(c2nccnc2-c2nn[nH]n2)CC1 1602867066 UEKCMRSBKHHTAH-UHFFFAOYSA-N 387.448 -0.560 30 20 GBED Cn1cc(Br)c(=O)c(NC(=O)Cn2cc(C#N)c(O)nc2=O)c1 1624097545 OKGWTQAVCCSIIT-UHFFFAOYSA-N 380.158 -0.080 30 20 GBED Cc1c(C#N)c(=O)n(CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)c(=O)n1C 1644133956 UBPWVYGEACFSMS-UHFFFAOYSA-N 389.456 -0.168 30 20 GBED CN(Cc1nnc2n1CCNC2=O)S(=O)(=O)Cc1ccc(F)cc1C#N 1665506555 JREYSUBCAVOZCN-UHFFFAOYSA-N 378.389 -0.006 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccn4nccc34)C2)C1 1782335323 DVFMANJAESQKDC-IBGZPJMESA-N 382.376 -0.134 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3cncn3c1)CCO2 1783563872 DGXSGELIACQPAD-LJQANCHMSA-N 382.376 -0.134 30 20 GBED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1786707589 JZENPPZRIQDQAF-SRVKXCTJSA-N 390.362 -0.052 30 20 GBED CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1788562913 ZCSIETMAAURHMT-AJNGGQMLSA-N 379.461 -0.023 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(N)=O)C2 1795600929 KNHVWANODRNFIG-YWVIFJGQSA-N 379.461 -0.877 30 20 GBED CN1CCc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)ccc21 1797019605 CNJVBQHQULEEPZ-CWPLJXCYSA-N 397.431 -0.030 30 20 GBED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C(=O)O 1800261981 FCIOGVKCYKVFPL-XOIINTDNSA-N 393.440 -0.687 30 20 GBED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801988849 OZYZYWQSJSPGAT-XGUBFFRZSA-N 394.380 -0.793 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CN)CC2 1819712655 VLURZDAZXPLDPE-KWBADKCTSA-N 381.502 -0.086 30 20 GBED Cn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cc1O 1830052987 CCDBRXQHXPXFAJ-SFHVURJKSA-N 391.428 -0.255 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1831391084 GBBOKESCZVDHEJ-KXBFYZLASA-N 390.440 -0.472 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1831438073 LMROABDZCDPWET-HNAYVOBHSA-N 381.473 -0.405 30 20 GBED NC(=O)CC[C@H](N)C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831669441 HMAHBNLZZJJKNX-LSDHHAIUSA-N 392.456 -0.713 30 20 GBED C=CCOCCCC(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2 1841605224 JTWXECKJTGUQLN-KRWDZBQOSA-N 381.473 -0.177 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1 1841960149 JRMIEJLIMCRAAD-NEPJUHHUSA-N 378.429 -0.639 30 20 GBED C=CCSCC(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842873441 XZWUDSVJMDSUJB-UHFFFAOYSA-N 377.403 -0.166 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)NC2CCCCC2)CC1 264122172 FJVDWCDPFDQCHC-UHFFFAOYSA-N 377.489 -0.098 30 20 GBED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 267425558 UBQBSXXNYCWIBS-UHFFFAOYSA-N 382.384 -0.837 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(=O)(=O)NC)oc2C)CC1 267593760 OKQWNFFVTMQFFH-UHFFFAOYSA-N 396.469 -0.607 30 20 GBED CNC(=NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)NC 271562058 ULIDRZHTHQUOPM-UHFFFAOYSA-N 378.476 -0.414 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C3=NN(CCO)C(=O)CC3)C2=O)cc1 277152307 WHMGPEUIQKQISV-MRXNPFEDSA-N 383.408 -0.254 30 20 GBED C#CCn1ccc(CN(CC)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)n1 279019512 VMHHIPBWKCQTAS-UHFFFAOYSA-N 397.439 -0.298 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 349473988 JCMGJQDIYWRMLG-YXJLRHLOSA-N 391.515 -0.419 30 20 GBED N#CC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nc3ccccn3n2)C1 349494523 DBHMBSIWCGTQHZ-UHFFFAOYSA-N 384.443 -0.354 30 20 GBED N#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)CC1 349517694 GFCONTSGXHYGNB-UHFFFAOYSA-N 388.475 -0.921 30 20 GBED CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N 349524583 PUAUFFQISJYWAH-QWHCGFSZSA-N 394.519 -0.664 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 349632207 YWCHVVNKJPETRP-BYNSBNAKSA-N 391.515 -0.009 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)NC(CC)(CC)C2=O)CC1 373978630 YMJZLZIGWBMORL-UHFFFAOYSA-N 391.472 -0.619 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)C)CC2)c1C#N 472668343 ICTGHDNJQDRYGC-AWEZNQCLSA-N 382.490 -0.177 30 20 GBED COCCC(=O)N1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 475413140 CCEHDOOPJSCVHG-UHFFFAOYSA-N 376.417 -0.019 30 20 GBED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CC(=O)OC)C1 508883971 DNGSDHAEIQUOOA-RYUDHWBXSA-N 387.462 -0.157 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 560289604 WDFGEXDATLNLOV-HOCLYGCPSA-N 391.472 -0.015 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C(=O)NCCN(C)C)c1 578309164 NAKLEDCWYYPPGJ-CYBMUJFWSA-N 382.486 -0.053 30 20 GBED CCN(CCC#N)S(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C 578794503 NCZUDKZAJKHLEH-CYBMUJFWSA-N 381.524 -0.283 30 20 GBED CC(C)(C)NC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 579252169 WAEIXYCPAVJFMS-UHFFFAOYSA-N 388.471 -0.319 30 20 GBED CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)c1 592302094 RBLBUHPSMVCEQM-INIZCTEOSA-N 380.426 -0.281 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cc(=O)n3ccccc3n2)C1=O 652472512 SFKIMXVKWZHERR-CQSZACIVSA-N 383.408 -0.444 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)C1=O 659057378 CZHJQPZSWWJJHH-LLVKDONJSA-N 377.401 -0.113 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2cc(C(=O)OC)co2)c1=O 729152757 TYCMLNAOWRPJEI-UHFFFAOYSA-N 375.337 -0.194 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(C(N)=O)cn3)CC2)o1 748892400 KLBCKESTZNPNLG-UHFFFAOYSA-N 398.379 -0.146 30 20 GBED N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CCCC1 779314143 XBPABOGZLVRJBD-HBJVGIJOSA-N 395.437 -0.321 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)CCCOC)CC1 783298555 ZHHIDAYNKCGRKD-UHFFFAOYSA-N 397.519 -0.719 30 20 GBED CCN1CCN(CC(=O)[C@H](C#N)C(=O)NCc2ccc(F)cc2F)C(=O)C1=O 786560364 RLTQKKVSEPAQGJ-ZDUSSCGKSA-N 392.362 -0.019 30 20 GBED N#CCCNC(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 794741680 DXVCHEOAMPDSMJ-UHFFFAOYSA-N 381.414 -0.069 30 20 GBED C[C@H](C(=O)OCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1cnc(C#N)n1 798746758 ZYODZCDRTYHZFK-SNVBAGLBSA-N 386.372 -0.909 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[C@H]1CCCO1 804261300 WNQQOVXTBVFVEP-HRCADAONSA-N 378.473 -0.658 30 20 GBED CC[C@@H](NC(=O)C(=O)NCc1ccc(OC)c(C#N)c1)C(=O)N1CCOCC1 807776634 CZHKGNNUKPKARR-OAHLLOKOSA-N 388.424 -0.063 30 20 GBED N#Cc1ccc(NCCNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)nc1 830511558 USVKATSDFPNWMS-INIZCTEOSA-N 386.456 -0.149 30 20 GBED C[C@H]1C[C@H](C(=O)N[C@@H]2CCCN(O)C2=O)[C@H](C(=O)N[C@H]2CCCN(O)C2=O)C1 848134231 PUXZXSGXQLIDFB-NNVHFGSQSA-N 396.444 -0.359 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 974787260 VUIWRMQJFDMNEU-SYQHCUMBSA-N 376.413 -0.811 30 20 GBED CC(C)C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CCNC1=O 1109421697 GYVBBNZYLUNHEF-MMMWYMCRSA-N 375.473 -0.100 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1(C(N)=O)CC1 1110963100 NGLXDYDYKWNHBQ-LOWDOPEQSA-N 377.445 -0.626 30 20 GBED C=CCN(C(=O)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1)[C@@H](C)COC 1118531827 RCYPPIZVYQCERV-AWEZNQCLSA-N 382.461 -0.769 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCCOCCO)C1 1130034373 NIURTYKPKNENPO-MHORFTMASA-N 393.488 0.000 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CCCNS(=O)(=O)CC)C[C@@H]1O 1219656116 LQIPQWXYJIZMRW-WCVJEAGWSA-N 389.518 -0.542 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1)[C@H]1CCCO1 1261154820 SPQQHXVAXGCEES-GRYCIOLGSA-N 375.347 -0.190 30 20 GBED C=CCn1cnn(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1=S 1321447920 YHCUAMBPPSTSJS-UHFFFAOYSA-N 380.474 -0.439 30 20 GBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC2(CC1)OCCO2 1324659555 OTHNXDNVUWFGDH-CYBMUJFWSA-N 380.488 -0.255 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCCN(CC(=O)N(CC)CC)CC1 1342540400 LWHPDZAIJMEPNC-UHFFFAOYSA-N 382.530 -0.128 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](NCc2cnn[nH]2)[C@H](c2cnn(C)c2)C1 1574985971 PPFYILSNYOKXNF-KSZLIROESA-N 382.472 -0.280 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@H]1CCN(CC(=O)NCc2cnn[nH]2)CC1(C)C 1575012612 DOASCOGEOHPUSK-ZFWWWQNUSA-N 376.461 -0.324 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(CC(=O)NCc2cnn[nH]2)[C@@H]1C 1575054709 VZRBATKQCQAYEX-DYWXZXKOSA-N 376.461 -0.019 30 20 GBED N#C[C@]12CN(C(=O)COc3ccc(-c4nn[nH]n4)cc3)C[C@H]1CS(=O)(=O)C2 1581860184 OGFWQNNMOKLRAQ-BLLLJJGKSA-N 388.409 -0.358 30 20 GBED C#CCN1CCC(C(=O)NC[C@H](CO)Nc2ncccc2-c2nn[nH]n2)CC1 1588352045 RRCIZRYMJSKDJY-CQSZACIVSA-N 384.444 -0.504 30 20 GBED C#CCNC(=O)[C@@H](C)NC[C@@](C)(NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 1588353336 OJBVENBPDIFWTJ-ADLMAVQZSA-N 384.444 -0.179 30 20 GBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588354336 LAMVUCGIMDNORY-CHWSQXEVSA-N 384.444 -0.368 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 1588500988 HRARTSTUPQHUFC-PXAZEXFGSA-N 378.408 -0.100 30 20 GBED C=CCCN(C)C(=O)C(=O)N1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 1588603635 SLUKKPMEDSQQQC-UHFFFAOYSA-N 387.448 -0.408 30 20 GBED N#C[C@@]12CN(S(=O)(=O)c3ccccc3-c3nn[nH]n3)C[C@H]1CS(=O)(=O)C2 1592681237 NCYWKCREIYFOQE-HZMBPMFUSA-N 394.438 -0.574 30 20 GBED N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC(=O)NCC(F)F)CCO1 1712886259 NNTYNSMGMZZLMS-LLVKDONJSA-N 397.386 -0.489 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1779214740 ZUHYZVGGHXHVAB-GPMSIDNRSA-N 389.456 -0.218 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)C(O)O)CCO3)c1Cl 1780188861 SAYLTWBXEJFTLO-KRWDZBQOSA-N 379.800 -0.034 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)c1 1780333271 WIQIPCVPJAUKQO-SFHVURJKSA-N 385.428 -0.830 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)C1CN(C)C1)CCO2 1781270623 HYKZYBZFXCZCFQ-IBGZPJMESA-N 379.457 -0.113 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3CN1)CCO2 1783562746 QUPKVAIHTRSEIE-UTKZUKDTSA-N 397.431 -0.381 30 20 GBED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1783923705 GDVVXRVFTRZLRH-AEFFLSMTSA-N 379.413 -0.264 30 20 GBED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nc(N)n[nH]3)[C@H]2C1 1788503763 BOVCRBOTYFBJKX-AVGNSLFASA-N 389.460 -0.151 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnn3)[C@H]2C1 1788851900 LUICEAJUIVGQOF-GLUQJIRCSA-N 399.451 -0.072 30 20 GBED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCCS4(=O)=O)[C@H]3C2)CC1 1790746671 AEKUPSJTDUIKQM-AJNGGQMLSA-N 395.481 -0.153 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1790794588 VXVTVLWGZSJKMF-SRVKXCTJSA-N 381.479 -0.540 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)CC)C2 1793340031 HDXYQHOGYBGZKB-AYDFFVQHSA-N 386.470 -0.951 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNc1ccc(F)cc1 1795543526 FBDFOTAJOWIYJL-DBWKPXFBSA-N 389.383 -0.085 30 20 GBED CN[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1)C(=O)O 1822200718 QTJIQDQMQVYRIN-NWDGAFQWSA-N 391.384 -0.448 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnsn3)C2)C1 1831386480 GWYGLQVRIVYSTN-CXAGYDPISA-N 394.453 -0.354 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1831435109 LQPAOAMKDRLQLL-CRAIPNDOSA-N 393.444 -0.674 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831894115 UOYNQYHGQCXTQV-UGSOOPFHSA-N 395.481 -0.226 30 20 GBED Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)no1 1832925109 TZWQYQJMVUEZLX-GOSISDBHSA-N 389.412 -0.319 30 20 GBED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1837305373 WIIHAYFATYHOIR-BXWFABGCSA-N 380.489 -0.503 30 20 GBED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839238023 PCJFCBVZNVERQE-INIZCTEOSA-N 399.398 -0.054 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1839840906 NHUKIBMZAHXNCP-WMLDXEAASA-N 378.433 -0.658 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cncn4)C3)C2)CCC1 1840813027 ZEZCKKLSJCUZHP-GOSISDBHSA-N 388.428 -0.572 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](C)NC(=O)CC)C2 1841053038 QDSHJTPAZHGUPU-WBTMPAOCSA-N 376.457 -0.037 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)Cc2cccc(F)c2)CC1 264188839 PRIHERYUPFJKMM-UHFFFAOYSA-N 388.443 -0.232 30 20 GBED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CCO[C@@H](C#N)C1)CC2 266616021 HMHVTACBLMPQGS-LBPRGKRZSA-N 378.410 -0.765 30 20 GBED C[C@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(C)C1(C#N)CCC1 349515309 BQMAAEUZSUDJHK-LBPRGKRZSA-N 392.503 -0.766 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)CCO1 409531310 ABRQYXUOGFBHPV-MRXNPFEDSA-N 399.517 -0.524 30 20 GBED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 409665376 JHUCUHWSVPVBDJ-KBPBESRZSA-N 375.433 -0.898 30 20 GBED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)c1 440290540 IPCLQHHROGZCLR-SECBINFHSA-N 388.352 -0.012 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 508151012 OHHBEEIFQBUJTM-UHFFFAOYSA-N 384.439 -0.255 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)C1=O 524835504 KPLLXJLRDDILMC-UHFFFAOYSA-N 387.396 -0.238 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(NC(=O)CCN(C)C)cc1 538587238 OFEGMMBYGLVUOS-UHFFFAOYSA-N 375.429 -0.066 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)C1=O 554056868 LXEFUXWORYJPLZ-BBWFWOEESA-N 392.500 -0.009 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)NCC1(C)C 566488413 AJGZSBWAIPUQQW-UHFFFAOYSA-N 380.492 -0.862 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[C@@H]3C(N)=O)CC2)cc1 583516865 QJHDMZFYYSLIDR-GJZGRUSLSA-N 376.438 -0.097 30 20 GBED CC1(C)CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCN1CCO 589490299 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C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C(F)(F)F)n[nH]c2C)CC1 831565558 VTSIKANKRLQBPS-UHFFFAOYSA-N 379.364 -0.038 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(F)c2C(=O)O)CC1 833376990 IWJNZHQQAPMDNU-UHFFFAOYSA-N 392.387 -0.091 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCC2(C1)OCCO2 848959751 PHGLRMODFRPJKX-LBPRGKRZSA-N 381.476 -0.671 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N1CCCn2ncnc21)C(C)C 848963443 RRLXRAYEQWQKLE-CYBMUJFWSA-N 389.503 -0.215 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2C[C@H](C(=O)OCC)C3(COC3)C2)CC1 875182515 QCPHTBHCQQABTE-OAHLLOKOSA-N 379.457 -0.209 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1OC 946818606 JTOCRDVHUBCDLT-YIYPIFLZSA-N 386.412 -0.329 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]21 976593006 WVLXZTPZFFOEAN-KDELZDPKSA-N 377.441 -0.427 30 20 GBED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2cnc(C(N)=O)n2)[nH]1 1003157323 QMJCKYDKXOGZJV-RTXFEEFZSA-N 382.384 -0.861 30 20 GBED N#Cc1cn(CCC(=O)N2CCC3(CCC3)S(=O)(=O)CC2)c(=O)nc1O 1142316173 IGKSYZMBJAGQSN-UHFFFAOYSA-N 380.426 -0.220 30 20 GBED N#CCN1CCC(CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 1252832286 DJDHVMOGJGFJEL-LSDHHAIUSA-N 382.486 -0.626 30 20 GBED COCC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1315967619 WPNGIAKZWUXCBP-CXAGYDPISA-N 380.449 -0.067 30 20 GBED CN1CC(=O)N(c2cccc(NC(=O)C(=O)N3CC[C@@](O)(CC#N)C3)c2)C1=O 1326088856 YVKIJGFZVNGWGJ-SFHVURJKSA-N 385.380 -0.099 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)NC2CCN(CCC(=O)N(C)C)CC2)CC1 1331652907 XLCWRJHMKLARKO-UHFFFAOYSA-N 394.516 -0.025 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1 1332920169 GWZMEHNGPCOGDW-HNNXBMFYSA-N 379.457 -0.188 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1342002484 PBGQQDUDZZHVBX-OAHLLOKOSA-N 398.419 -0.190 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CCO1 1348135726 JEBMIGBUYWRBFK-INIZCTEOSA-N 386.408 -0.393 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cn2cncn2)C(=O)O)cc1 1573367834 BOWGBOYGXWNMNZ-CYBMUJFWSA-N 379.398 -0.374 30 20 GBED CN(C[C@@H](O)CN(C)c1nccnc1-c1nn[nH]n1)C(=O)c1cc(C#N)c[nH]1 1579031205 LQJDMUZXQPMEJX-NSHDSACASA-N 382.388 -0.574 30 20 GBED C#CCN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CCN(C[C@@H](O)COC)CC1 1588348847 QKHWHYZGCLMPPD-OAHLLOKOSA-N 387.444 -0.258 30 20 GBED C#CCNC(=O)[C@H](C)N1C[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C1 1588353391 QCUSYNBHEIXXJU-RWMBFGLXSA-N 382.428 -0.664 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H](C)NC(=O)Cn1cnnn1 1588649105 HSRYBCZOFQAWQC-GFCCVEGCSA-N 396.415 -0.427 30 20 GBED COC(=O)/C=C1\SCC(=O)N1CCCn1c(N)nc(-c2nn[nH]n2)c1C#N 1591256167 ICOFNYLISDAWJA-YHYXMXQVSA-N 389.401 -0.503 30 20 GBED Cc1nc(C#N)cc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)n1 1642362638 MEPKRJMGZCJBSF-ZDUSSCGKSA-N 385.471 -0.704 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cccn4ccnc34)C2)C1 1778585426 FJTCVVDXTINVFJ-LJQANCHMSA-N 382.376 -0.134 30 20 GBED 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20 GBED N#Cc1cccc(S(=O)(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 22278567 DQDSDKIIQJRCII-UHFFFAOYSA-N 378.454 -0.277 30 20 GBED N#Cc1ccccc1OCC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 264075047 ISFFPPFQXXAUCJ-GJZGRUSLSA-N 379.438 -0.449 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(S(=O)(=O)NC)CC2)cc1 264664558 FGYIPFXZOLVWIQ-UHFFFAOYSA-N 399.494 -0.248 30 20 GBED CNC(=O)Cn1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cn1 268855937 XOQAVWRMRADGLC-LLVKDONJSA-N 390.425 -0.194 30 20 GBED COCCOCCN(C)C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 298201464 XLLVTZUQCLVXNY-UHFFFAOYSA-N 375.429 -0.277 30 20 GBED CN1CCN(C(=O)CC/N=C(/O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 328881760 WTEVRLLCWXRNRW-HNNXBMFYSA-N 381.477 -0.612 30 20 GBED CC[C@H](/N=C(/O)N1CCC[C@H](CNS(C)(=O)=O)C1)C(=O)N1CCOCC1 331279615 ZWTBGYIUVFKKCD-KGLIPLIRSA-N 390.506 -0.201 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C)C[C@H]1C 349469007 ANQZFKTZUDCPFF-NWDGAFQWSA-N 380.492 -0.958 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCn2ncnc2C1 349509475 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CN(C1(CO)CC1)S(=O)(=O)c1cccc(S(=O)(=O)N(CC#N)CC#N)c1 579973269 XQAXUZMDLHUDIY-UHFFFAOYSA-N 398.466 -0.130 30 20 GBED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)n1 581854580 JCNQKSZJZHOITK-LLVKDONJSA-N 380.368 -0.687 30 20 GBED CN1CCN(C(=O)C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)[C@H](CN)C1 593782649 QGSFSSQLYIBLMY-LJQANCHMSA-N 398.511 -0.260 30 20 GBED CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C[C@@H]1C 594636997 LEMUVEMQNPMFOW-STQMWFEESA-N 394.519 -0.520 30 20 GBED N#CCNC(=O)COC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 731245195 DWPHLWCQJNENBB-PXTSUWAFSA-N 384.392 -0.027 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCc2ccc(-c3nn[nH]n3)cc2)CC1 735381614 NRWKWOLNAKTXGT-UHFFFAOYSA-N 381.440 -0.307 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)Cn3[nH]cc4c(=O)ncnc3-4)C2=O)cc1 754438128 NNFQKXYUVWYHAL-OAHLLOKOSA-N 391.391 -0.140 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2OC)CC1 766490310 WKORJJOSSGZBTL-UHFFFAOYSA-N 376.438 -0.377 30 20 GBED COC(=O)C[C@@]1(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCOC1 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CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1328969206 LYVOKBXOPLGBEA-OLZOCXBDSA-N 382.417 -0.511 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 1330239230 DBENSWUJGPDZIU-NFAWXSAZSA-N 391.428 -0.065 30 20 GBED CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)NCCn2cnc(C#N)n2)cn1 1342556026 SPODHJAQIRSKCX-WHDAMIPWSA-N 376.446 -0.119 30 20 GBED C#CCNC(=O)[C@H](C)NC[C@@](C)(NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 1588353110 GWWQPHZGNLFOHB-BBATYDOGSA-N 384.444 -0.179 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O 1588504128 JCEMOQBPHUIJNC-IIDMSEBBSA-N 390.419 -0.006 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2ccc(-c3nn[nH]n3)cc2F)c1=O 1588704829 PMYFITDKDQVHBF-UHFFFAOYSA-N 385.359 -0.089 30 20 GBED N#CCC(=O)N1CCN(S(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)CC1 1592671382 FXFCKVDCSVQAHI-UHFFFAOYSA-N 393.404 -0.107 30 20 GBED N#CCC1(CNC(=O)C(=O)N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)CC1 1592674292 CFBQDFAEMQTOGT-UHFFFAOYSA-N 395.427 -0.280 30 20 GBED 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N#CCc1ccnc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)C2)c1 349525116 QSBYMXRRNUGUBX-CYBMUJFWSA-N 388.471 -0.324 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 349559509 WDXIXBIKVMOGTE-BFHYXJOUSA-N 395.503 -0.535 30 20 GBED Cc1ccc(S(=O)(=O)NC2CN(c3c(C#N)c(=O)n(C)c(=O)n3C)C2)cc1 370667262 ZCXWUPRODNSQPS-UHFFFAOYSA-N 389.437 -0.569 30 20 GBED Cn1cc(S(=O)(=O)NCC(=O)Nc2cnn(-c3ncccc3C#N)c2)cn1 461751786 CMSYZVMUSGQOGV-UHFFFAOYSA-N 386.397 -0.211 30 20 GBED CN1CCN(CCNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 497812017 LRJDVXHASRZIDE-UHFFFAOYSA-N 379.486 -0.458 30 20 GBED Cn1ccc(=NCCN=c2ccc(C#N)c(NCCN=c3ccn(C)[nH]3)[nH]2)[nH]1 514933943 CGCBTJKAMBAMSA-UHFFFAOYSA-N 380.460 -0.266 30 20 GBED CN1CCN(C)[C@@H](CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 517641270 KZNXPYPWUVMTSK-HNNXBMFYSA-N 379.486 -0.146 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](S(N)(=O)=O)C1 534492827 MZTVLTXDWQWQKP-GWCFXTLKSA-N 386.455 -0.886 30 20 GBED COC(=O)[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccn(C)n1 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380.382 -0.680 30 20 GBED CCNC(=O)NCCNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 817241397 FWCXCMLGFCGELY-NSHDSACASA-N 381.458 -0.061 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CC(=O)NC(=O)C1 960639523 ZLLVGXRPTWSCAA-CBBWQLFWSA-N 391.424 -0.932 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3CCOCC3=O)[C@@H]2C1 972744996 AKTZHZUEUBCEEZ-OLMMMNRUSA-N 391.468 -0.114 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2nc(CC(=O)NC)no2)C[C@@H]1O 1083853355 PVRAGZUMCCUAAN-LKQDWFRTSA-N 393.444 -0.999 30 20 GBED C=CCN1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094659828 RXMLNYWFGDRBIM-LJISPDSOSA-N 385.486 -0.882 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCC(=O)NCC 1110384173 QYBJEMHVEXCQIF-MCIONIFRSA-N 379.461 -0.364 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(C)(C)N1CCOCC1 1111147297 USXUMWVUILOGKD-HZMVEIRTSA-N 376.501 -0.043 30 20 GBED C#C[C@H](NC(=O)C(=O)N(CCCOC)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 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395.481 -0.927 30 20 GBED CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC(=O)N1CCOCC1 1541103999 LSOHGPNWRITWLZ-ZDUSSCGKSA-N 377.449 -0.129 30 20 GBED C=C(Br)CN1C[C@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573292578 YDEDEXNQETWALK-MNOVXSKESA-N 382.222 -0.122 30 20 GBED C=CCOCC(=O)N1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573342817 FEDKTFTVFZERGT-KRWDZBQOSA-N 389.416 -0.519 30 20 GBED C[C@@H](C#N)C(=O)N1CCC(N(CCO)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1573565989 YSGXDNPOZHGVHX-NSHDSACASA-N 386.416 -0.220 30 20 GBED C#CCN(C(=O)CCCc1cnn[nH]1)C1CCN(CC(=O)NC(N)=O)CC1 1574894721 FRKXPKQMBCOCIA-UHFFFAOYSA-N 375.433 -0.752 30 20 GBED C=CCNC(=O)Cn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@H]1C[C@@H](N)C1 1574937014 RBDZRZXLLMCQPJ-FHSNZYRGSA-N 389.460 -0.184 30 20 GBED C#CCNC(=O)[C@H](C)NCCN(CCO)C(=O)c1ccc(-c2cnn[nH]2)nc1 1575005048 STXXWTRAWKDURN-ZDUSSCGKSA-N 385.428 -0.971 30 20 GBED N#Cc1ccc(C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@H]2O)[nH]1 1581867260 AJEZYXABGGGHTJ-CHWSQXEVSA-N 383.347 -0.420 30 20 GBED N#Cc1cncc(N2C[C@H]3C(CNC(=O)c4ccc(-c5nn[nH]n5)[nH]4)[C@@H]3C2)n1 1581878001 RMUGAFCIXOCDGI-RYUDHWBXSA-N 376.384 -0.031 30 20 GBED N#Cc1cncc(N2CCO[C@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 1581882601 ASOLACUKBIRLJE-GFCCVEGCSA-N 380.372 -0.508 30 20 GBED N#Cc1nccnc1NC[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1581885962 SNZKBHJSAABCOL-JTQLQIEISA-N 380.372 -0.190 30 20 GBED C#CCNC(=O)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588354558 PSVXPALMBQGFPS-LSDHHAIUSA-N 382.428 -0.377 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588435622 CCGRETNDIZIQNQ-MJVIPROJSA-N 389.416 -0.617 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)N1CCO[C@@H]([C@@H](C)N)C1 1588635103 DBMLTKOPEIESBR-CZUORRHYSA-N 399.455 -0.044 30 20 GBED COCCN(CCNC(=O)c1cc(C#N)c[nH]1)c1cncc(-c2nn[nH]n2)n1 1605099988 VUZVQJPNBKRMDG-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED N#CCSCC(=O)NC1(CN=c2cc[nH]c(-c3nn[nH]n3)n2)CCOCC1 1606351575 WNMQEXTYAVZHFJ-UHFFFAOYSA-N 389.445 -0.587 30 20 GBED CO[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@](C)(C(=O)O)C1 1606762316 BIHYPAFYBVIHAG-LRDDRELGSA-N 381.410 -0.073 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(CN3C[C@@H](C(=O)O)CC3=O)CC2)cc1 1608211049 YVYCYIZKOBSRGV-AWEZNQCLSA-N 392.437 -0.245 30 20 GBED Cn1c(=O)[nH]c(NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)c(C#N)c1=O 1611972054 WWEPDKOBQJQHCF-UHFFFAOYSA-N 395.363 -0.081 30 20 GBED N#Cc1cn(CCC(=O)N[C@@H](C2CC2)C2(CO)CCOCC2)c(=O)nc1O 1640308601 QJNQZXNDBXFYKK-HNNXBMFYSA-N 376.413 -0.105 30 20 GBED COC(=O)CNC(=O)[C@H]1CCCN1CCS(=O)(=O)c1ccc(C#N)cn1 1646280166 MGCDJHCDOCVORV-CYBMUJFWSA-N 380.426 -0.519 30 20 GBED CN1CCN(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1661769305 BIKZBADHSGICNQ-INIZCTEOSA-N 377.470 -0.259 30 20 GBED Cc1nn[nH]c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1777746597 VVLYGBVLUUWRDA-SJKOYZFVSA-N 375.385 -0.671 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1781395939 FMUCIEDSQRIKGR-SJKOYZFVSA-N 379.417 -0.507 30 20 GBED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786696258 QLPCCPOCVLUZFA-VGWMRTNUSA-N 392.456 -0.579 30 20 GBED CN[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2)C(=O)O 1795645166 DASWQRHXNORRFI-XFMPKHEZSA-N 378.429 -0.667 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ncccc12 1796274264 KYLQZBKOFBUOHB-ZXFNITATSA-N 397.435 -0.029 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1C)C2 1797714502 VTIOJXXLFDNSDS-PFFSRIRZSA-N 393.484 -0.230 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn(C(F)F)n1 1798162983 BSGBXLJCQBGYAZ-WDAIWFPHSA-N 382.323 -0.431 30 20 GBED CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1(C#N)CCC1)C2)C(=O)C(=O)O 1801333675 NBQPOYWLKMEHDB-CLLJXQQHSA-N 376.413 -0.139 30 20 GBED O=C(/C=N/O[C@@H]1CCCCO1)Nc1nc2c(s1)C[C@H](NC(=O)C(O)O)CC2 1819900867 QYNPDRZTPNDGBY-HSLHHIHESA-N 398.441 -0.105 30 20 GBED CC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1830524694 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-0.112 30 20 GBED C=CCN1CC[C@H](N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)C1=O 328852609 XBAMBITXUOJEHX-OAGGEKHMSA-N 386.518 -0.255 30 20 GBED Cn1nccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 329757050 ZCIZJSOIHZAHHB-UHFFFAOYSA-N 395.466 -0.013 30 20 GBED C/N=C(/O)N1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 329940286 GCQGWRBBUHMWCY-HNNXBMFYSA-N 381.477 -0.612 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 349479246 UDHOCBCBZOABTI-KBUPBQIOSA-N 391.515 -0.009 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C[C@@H]1C 349511335 RZUMSQNHRKAUFX-RYUDHWBXSA-N 380.492 -0.862 30 20 GBED Cc1nc2n(n1)CCN(S(=O)(=O)CCCCS(=O)(=O)N(C)CC#N)C2 349599543 JZIQHCNHFVNQOZ-UHFFFAOYSA-N 390.491 -0.703 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CC[S@](=O)C[C@H](C)C1 349609097 NYMWESACVZNTOQ-IFMYKAFSSA-N 399.560 -0.372 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)C1=O 363023374 KALQLZJWMNMEOK-CYBMUJFWSA-N 387.348 -0.070 30 20 GBED C[C@@H](NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C(=O)NCCF 374470687 FWGJUCFGXAGQPI-SNVBAGLBSA-N 390.350 0.412 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CCO1 409593314 BWJDNCMHNDJXFY-MRXNPFEDSA-N 393.469 -0.606 30 20 GBED C=CCNC(=O)NC(=O)CN1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 441060147 IPZXEGPLSSJOMW-CYBMUJFWSA-N 386.408 -0.005 30 20 GBED COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1 521593950 RIDOTSSPWHOLAU-AWEZNQCLSA-N 388.380 -0.331 30 20 GBED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccco2)c1=O 523079429 AGLRNYPCYXZICM-UHFFFAOYSA-N 391.449 -0.195 30 20 GBED CN1CC[C@](O)(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 547294417 RQVGSPGDNCZSKB-SFHVURJKSA-N 386.387 0.004 30 20 GBED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)NC)C1 555221533 VWYPNAPCJYXOQH-VXGBXAGGSA-N 385.494 -0.028 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NCCn2cc(C(=O)OC)nn2)c1 556403683 FJHVCQGEIOPEFN-UHFFFAOYSA-N 393.425 -0.041 30 20 GBED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN(c3cc(C#N)ccn3)CC1)CC2 557502033 PYDWTWWVOQNJNC-HNNXBMFYSA-N 394.439 -0.367 30 20 GBED CNC(=O)C1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)C1 570688457 ZNLJEHSBRPJMKM-JTQLQIEISA-N 378.410 -0.485 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3CCO[C@H]([C@@H](C)N)C3)CC2)c1C#N 591582534 BIWFLOGCSGNUIP-RISCZKNCSA-N 392.485 -0.454 30 20 GBED CN(C)S(=O)(=O)N(C)CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 593472624 BCDDJQBZGYJJAB-MRXNPFEDSA-N 379.486 -0.039 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2CO)s1 594637862 KDJLDCZALPWXFG-JTQLQIEISA-N 394.500 -0.067 30 20 GBED COc1cc(NC(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)c(F)cc1C#N 599995670 XXJCWMJSPIMOKE-DGCLKSJQSA-N 385.373 -0.427 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](O)[C@H]1CCCO1 600760700 LALHTRJJJFYJLJ-VXGBXAGGSA-N 389.455 -0.693 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 733150662 SQDYHVLWJOROQN-UHFFFAOYSA-N 376.417 -0.190 30 20 GBED COC(=O)CNC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767677811 BGEJDCVBKMSPKE-GHMZBOCLSA-N 397.409 -0.554 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 783350473 MMXPQCQMHUNWCY-UHFFFAOYSA-N 394.453 -0.722 30 20 GBED CCN(CCC#N)C(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 786369745 WSEJBIFTUPLHRJ-BHTHQVBYSA-N 377.397 -0.156 30 20 GBED CCOCCOC[C@H](O)CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 792042576 YQEVHSHDGXEKML-GFCCVEGCSA-N 385.442 -0.745 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O 803469428 MMLBJQOCUCRVEF-SFHVURJKSA-N 375.381 -0.052 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)c1 804059893 KRQMMQLGKDEECN-SJORKVTESA-N 398.467 -0.419 30 20 GBED C#CCN(C)C(=O)C(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 839289837 RWAANADFRFDHOA-UHFFFAOYSA-N 396.245 -0.012 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](N3CCOC3=O)C2)cc1 855512462 FYLCXYGLVPWWGV-CYBMUJFWSA-N 378.410 -0.110 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](OC)C1 942519684 CUYXFHDUONEXBX-REBRKWNGSA-N 376.413 -0.673 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H]1C 990297775 SPSHFUXOISBHQW-MQYQWHSLSA-N 378.429 -0.423 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 994647444 ZAHVCDXGYUMMJU-MIGQKNRLSA-N 391.472 -0.308 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(CCOC)nn2)C1 1023703873 AAGVMVMQVQWFOD-XOUADPBQSA-N 393.444 -0.793 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)Nc2cnccn2)C[C@H]1OC 1082146558 KDOCHRNVJZPGLK-APIJFGDWSA-N 375.429 -0.178 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc2c(O)ncnc2cn1 1110044189 ZZIIGVFGJBNNSC-GMXABZIVSA-N 381.396 -0.295 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](NC(=O)COC)C(C)C 1111110596 FTRKWLKICVBZRP-BSXFFOKHSA-N 380.489 -0.203 30 20 GBED Cn1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)n1 1298843572 ZURVVXASLOFWRL-JSGCOSHPSA-N 391.457 -0.309 30 20 GBED C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCCS1(=O)=O 1301966203 SGQBKTWGIOJAAY-QWHCGFSZSA-N 395.489 -0.139 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1 1325698587 STZLVUACPFZDQD-MRXNPFEDSA-N 385.424 -0.231 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(SC)CCOCC2)CC1 1333705048 ABXOVAOXHYKRMV-UHFFFAOYSA-N 390.531 -0.307 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCOC[C@@H]3CCO)CC2)c(F)c1 1345873796 QHQJYGFYPWAWGW-HNNXBMFYSA-N 390.415 -0.044 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)n1 1347131067 YYSXZFDQKVNSPC-AWEZNQCLSA-N 395.485 -0.738 30 20 GBED C=CCn1c([C@@H]2CCCCC(=O)N2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1355928026 BETLNYCOWRRBSA-OLZOCXBDSA-N 387.444 -0.658 30 20 GBED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCN(C)C1 1508412357 PVIQKKRPHRDUJC-IOASZLSFSA-N 399.521 -0.449 30 20 GBED C#CCN1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@H](C)OCc3cnn[nH]3)C2)CC1 1574986224 WIHHGSQAIPWKJX-JKSUJKDBSA-N 388.472 -0.274 30 20 GBED C[C@H](C(=O)NCc1cnn[nH]1)N1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 1575221026 DIKGMYXMYRUKMP-GFCCVEGCSA-N 382.428 -0.143 30 20 GBED CN(C[C@H](O)CNC(=O)c1ccc(-c2cnn[nH]2)cn1)C(=O)CSCC#N 1576769888 KSSKPQRNRZKICN-GFCCVEGCSA-N 389.441 -0.327 30 20 GBED COCC#CCN1CC[C@H](NC(=O)C2CCN(Cc3cnn[nH]3)CC2)[C@@H](O)C1 1576954008 ULVRAQQJHHXRQU-ROUUACIJSA-N 390.488 -0.782 30 20 GBED Cc1cc(=NC[C@@H](O)CN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)c(C#N)c[nH]1 1581016132 ZCJPSRODBUOZNM-CYBMUJFWSA-N 381.400 -0.263 30 20 GBED N#Cc1nccnc1N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1581885859 PJKSJBGYFWTUOC-LLVKDONJSA-N 380.372 -0.508 30 20 GBED C#CCNC(=O)[C@H](C)NC[C@](C)(NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 1588353111 GWWQPHZGNLFOHB-VOJFVSQTSA-N 384.444 -0.179 30 20 GBED C#CCO[C@H](C)C(=O)NCC1(Nc2cnc(-c3nn[nH]n3)cn2)CCOCC1 1588358334 WFKOLLIVCDOAFO-GFCCVEGCSA-N 386.416 -0.228 30 20 GBED C=CCNC(=O)CN1CCN(c2ccc(C(=O)OC)nc2-c2nn[nH]n2)CC1 1588659097 HSOTXOWEQAZEHZ-UHFFFAOYSA-N 386.416 -0.528 30 20 GBED C=CCn1c(CO)nnc1N1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 1588703088 JFZIHSGCWDIMHV-UHFFFAOYSA-N 385.436 -0.495 30 20 GBED N#CCNC(=O)CN1CCC[C@@H]1CCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1592678477 YIHMAQPTHJGLKO-LBPRGKRZSA-N 385.432 -0.191 30 20 GBED CC[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)O)cc1 1594725292 QUVVRKKHZYVJCC-SNVBAGLBSA-N 375.428 -0.028 30 20 GBED CN1C(=O)[C@H](O)[C@H](C(=O)N2CCC(C#N)(C(=O)O)CC2)[C@H]1c1cnn(C)c1 1598556508 JWYQLXVNWXOOCW-JHJVBQTASA-N 375.385 -0.873 30 20 GBED NC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779109302 LNNKQSXBWBGPNY-DXTMGYRDSA-N 397.432 -0.986 30 20 GBED Cn1ncc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1Cl 1779863858 WMOYUKJZYMCCAZ-MRXNPFEDSA-N 380.788 -0.395 30 20 GBED C[C@@](O)(C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C(F)(F)F 1783558014 MQKAEMVMZRSVPP-ZIAGYGMSSA-N 378.303 -0.782 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncnn3C)[C@H]2C1 1785849652 KLPXUPLNWIVMPG-AJNGGQMLSA-N 391.472 -0.019 30 20 GBED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786803169 HDGBOUSUKLRMAS-VGWMRTNUSA-N 378.473 -0.638 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC(O)C1 1792892693 MMFHZRZIFCKVAT-GASJBNKHSA-N 380.441 -0.144 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC(C)=O)C2 1793341155 KXSMLMFBZQFXQC-RDDKANTKSA-N 379.457 -0.471 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C(\C)NC(C)=O)C2 1793346425 QOILGWJPIXGNGG-WESBLBMJSA-N 377.441 -0.346 30 20 GBED O=C(CCN1C(=O)C=CC1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1793611561 ZZVKUXSNSIZBOZ-YVWYUNDQSA-N 385.420 -0.696 30 20 GBED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795632217 OXBUKDLNXRVAOT-KRXQYRFLSA-N 396.488 -0.848 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2 1797713501 QGCSTUSVVPGINM-NDPMZMCLSA-N 378.429 -0.975 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 1799304065 WGKZEADUBZNHHS-UMPJEAMMSA-N 393.440 -0.636 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)n(C)c(=O)n3C)C2 1800452221 BNBFBBAUUSAOCD-ZSBFGKGUSA-N 382.420 -0.287 30 20 GBED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc1 1800774150 CJHIISOOVTVNGI-CWPLJXCYSA-N 381.388 -0.222 30 20 GBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCN(C)CC1)C2 1800984271 MQXBBOJIEGZOJF-PNBKFKSVSA-N 384.546 -0.468 30 20 GBED N#CCCC(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807045641 XLZRSSKMFKRXNW-RLFYNMQTSA-N 386.456 -0.016 30 20 GBED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCOC2=O)n[nH]1 1815028664 MWAQGZZRXKRACW-LBPRGKRZSA-N 389.368 -0.058 30 20 GBED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1825015975 SXPBLGRESIOYJK-ZETCQYMHSA-N 384.381 -0.872 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn(C)nc1OC)CCO2 1833866994 GWGANATZNYPEGR-IBGZPJMESA-N 390.440 -0.088 30 20 GBED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)[C@H]4CNC(=O)C4)CC3)CC2)CC1 1834604427 PPJJYZNQOGZVRB-CQSZACIVSA-N 387.484 -0.002 30 20 GBED CCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338348 FEPFNINPZQHHGL-LIRRHRJNSA-N 392.456 -0.339 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835850149 UIJGCRAJEKTXNS-UGSOOPFHSA-N 394.428 -0.224 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnnc1O)CCO2 1838366608 NTMAMLMVWHXIBF-IBGZPJMESA-N 386.408 -0.334 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)O)CCO2 1840026685 RCCFQUQUJPBQSU-RDTXWAMCSA-N 384.429 -0.667 30 20 GBED CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n[nH]1 1840041702 CQJVSFKDZZDKEW-SFHVURJKSA-N 390.396 -0.870 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3)C2)C1 1840044272 SIWBZQWNIYJSDF-GUYCJALGSA-N 382.438 -0.574 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=COCCC1)CCO2 1840217831 WOGKCQYJJOZXOL-SFHVURJKSA-N 378.381 -0.775 30 20 GBED O=C1NC(=O)[C@H](CC(=O)N2CC3(CCCN3C(=O)/C=N/N3CCCCC3)C2)N1 1844258333 OSGBDRDZXVWQAR-UZPSYVQNSA-N 390.444 -0.740 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 139167313 ASVYFLWVZCJJNA-CQSZACIVSA-N 399.494 -0.248 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2nc(C(=O)OCC)cs2)C1=O 265007331 GBYRPMCPLAUCDS-UHFFFAOYSA-N 380.382 -0.087 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCN1CCCS1(=O)=O 266508807 FLUUQZJETFXBQB-UHFFFAOYSA-N 383.401 -0.072 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)C1=O 271735436 ZPJGETPXCGGNAH-LBPRGKRZSA-N 380.401 -0.941 30 20 GBED N#Cc1ncccc1S(=O)(=O)NCCS(=O)(=O)N1CCSCC1 276980583 GZEHSIJEOUZFBH-UHFFFAOYSA-N 376.485 -0.390 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 292319826 MHIMBJGEPMZMCU-SJLPKXTDSA-N 392.500 -0.150 30 20 GBED O=C1CN(/C(O)=N/CCS(=O)(=O)N2CCSCC2)CCN1C1CC1 328723759 SMKGIEVTRUWLGQ-UHFFFAOYSA-N 376.504 -0.414 30 20 GBED C[C@H](/C(O)=N/C[C@@H]1CCCO1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 329127805 ZHIMBXBXZOGBFP-KGLIPLIRSA-N 380.445 -0.196 30 20 GBED Cc1ccn(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(=O)c1C#N 332353207 BJZLWBAKQBOLEO-CQSZACIVSA-N 378.454 -0.640 30 20 GBED CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N1CCOC1 349504537 ISAWJNYSKUKIBM-UHFFFAOYSA-N 377.448 -0.474 30 20 GBED CCS(=O)(=O)NCCNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472110035 GVLQENGMCVECKC-UHFFFAOYSA-N 383.478 -0.629 30 20 GBED CC(C)N=c1[nH]c(N2CCN(c3cc(C#N)ccn3)CC2)nc(=NCCO)[nH]1 515319542 IIFFKCHOOBIXFC-UHFFFAOYSA-N 383.460 -0.467 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC(=O)N1CCNCC1 515465186 DGPSLKLXARFDOC-UHFFFAOYSA-N 387.440 -0.919 30 20 GBED CO[C@@]1(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)CCOC1 563428783 HQMDVGMEDJPWKM-CQSZACIVSA-N 389.455 -0.428 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 563892930 DUWXGDCEUDKKIG-ZIAGYGMSSA-N 387.444 -0.476 30 20 GBED COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)NCC#N)CC2)cc1 580851122 GNLLUHQRFREDRU-UHFFFAOYSA-N 394.453 -0.148 30 20 GBED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 593396979 LACWPPRMDGLZOA-UHFFFAOYSA-N 396.367 -0.155 30 20 GBED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](O)CC(=O)OC)cc1 600057237 DETIWRQQQNRZGW-ZDUSSCGKSA-N 378.385 -0.027 30 20 GBED COC(=O)CN(CC#N)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 609992002 CWODSIOKFMLQAJ-UHFFFAOYSA-N 384.370 -0.260 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N2CCC(C(=O)O)CC2)C1=O 736107204 UDSCDMCDGWGGRH-SNVBAGLBSA-N 395.368 -0.782 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cn(Cc3ccccn3)nn2)CC1 742641576 JJPVYBJCQUGVLY-UHFFFAOYSA-N 381.440 -0.381 30 20 GBED N#CCn1c(CN2CCN(CCS(N)(=O)=O)CC2)nc2ccccc2c1=O 746490623 VUBMATCQYYPMHZ-UHFFFAOYSA-N 390.469 -0.674 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(F)cc2)c1=O 758066824 DQLJKJREXCAUST-UHFFFAOYSA-N 385.420 -0.052 30 20 GBED N#CC1(CS(=O)(=O)NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 793196111 RYTJSEQVIRBZPO-WFFHOREQSA-N 381.410 -0.711 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc3cc(OC)ccn23)CC1 831580101 ZDYVCRXSZMYUGA-UHFFFAOYSA-N 377.426 -0.432 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2C(=O)O)CC1 833365572 NAXHSYVTVQCMRB-UHFFFAOYSA-N 383.401 -0.420 30 20 GBED C#CC[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O)C(=O)OC 837944537 ALBMBSHGBINEBI-QEJZJMRPSA-N 382.438 -0.296 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 850710704 JPOBGERBYFAXAQ-UHFFFAOYSA-N 392.500 -0.359 30 20 GBED C=CCNC(=O)[C@H](C#N)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 916920988 PFTYUTCVRSFWFC-CQSZACIVSA-N 390.421 -0.568 30 20 GBED N#CCOc1ccccc1C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 920414016 NHRUXTYIKFIZOI-LLVKDONJSA-N 395.393 -0.241 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)NCCCOC)cc1 921207490 IWGYDXCZJKZCLF-UHFFFAOYSA-N 381.454 -0.177 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCN(C)[C@@H]3C)C[C@@H]2O)CC1 966007121 OADRTLKCIXVSOE-DDBAPUKQSA-N 376.501 -0.640 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2nnn(CC)c2CC)C1 970613837 QAVDNCYVFDVNIP-UXOAXIEHSA-N 377.445 -0.247 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c(O)nnc(C)c2C)C[C@@H]1O 970711384 DXHQHAPUZZTLPS-MQYQWHSLSA-N 376.413 -0.308 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cn(C)cn1 993557912 RDNSSXKGFFCMRZ-VIRABCJISA-N 375.429 -0.703 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)C[C@H]1O 1023958184 KATDWGRULHPHFX-MIGQKNRLSA-N 390.440 -0.454 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1C[C@@H](C)CC(=O)N1 1109301448 AAASMQORXVSWRQ-QMIVOQANSA-N 391.472 -0.366 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC[C@H]1CCCO1 1110461895 NBIRIAAHQMOFNN-FPCVCCKLSA-N 376.457 -0.857 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(c2nc(C)cc(O)n2)C1 1194789588 MVESKUWHXFFUDY-CYBMUJFWSA-N 384.462 -0.234 30 20 GBED Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NCCn1cnc(C#N)n1 1322546984 WSOGCFKJVHGQJP-UHFFFAOYSA-N 385.428 -0.117 30 20 GBED COCCOC[C@@H](C)NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1325097914 OVQGQEBGYLVXBY-CYBMUJFWSA-N 392.460 -0.584 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)C[C@H](C)O1 1326523015 PZXCDNKLKQUXFN-LRDDRELGSA-N 387.392 -0.063 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)CCN1CCOC(C)(C)C1 1327405787 TVXGUQGBASHCBI-UHFFFAOYSA-N 375.491 -0.727 30 20 GBED CCOC(=O)[C@@H]1CNCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1328490538 SRKWYJOLHYXNOT-ZDUSSCGKSA-N 394.453 -0.521 30 20 GBED CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 1334302418 GBLGFWMFOCAVGL-HUUCEWRRSA-N 385.472 -0.014 30 20 GBED C=C(C)Cn1c(-c2cn(CCO)nn2)nnc1N(C)CCN1CCOCC1 1341726263 QGPALNNNQBWXFO-UHFFFAOYSA-N 376.465 -0.127 30 20 GBED N#C[C@H](C(=O)c1c[nH]c(C(=O)N2CCCC2)c1)C(=O)N1CCS(=O)(=O)CC1 1343441583 GNHBDYKXQRYUMZ-CYBMUJFWSA-N 392.437 -0.170 30 20 GBED C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC2CC2)CC1 1574707536 VJCGRTIOUIHVAA-INIZCTEOSA-N 399.499 -0.053 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CCCN(C(=O)[C@H](C)OCc3cnn[nH]3)C2)nn1 1575111306 CRAPWUMFTFRSTI-QWHCGFSZSA-N 388.432 -0.092 30 20 GBED C[C@@H](C#N)C(=O)N[C@H]1CN(CC(=O)NCc2cnn[nH]2)CC2(CCOCC2)C1 1575176319 FSMUAQMMNLANBW-UONOGXRCSA-N 389.460 -0.432 30 20 GBED N#C[C@@]1(F)CCN(c2nnc([C@H]3C[C@@H](N)C3)n2CCN2CCCS2(=O)=O)C1 1580040138 FMNMFCOESWDWRF-ZENOOKHLSA-N 397.480 -0.040 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 1588723256 JLTJKUBNDKBBAL-UPJWGTAASA-N 386.416 -0.431 30 20 GBED N#CCSCC(=O)N[C@@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 1592679074 FEYYWRMHDCRKIX-HNNXBMFYSA-N 389.445 -0.639 30 20 GBED N#Cc1ccc(NCC(=O)N2CC(n3cc(-c4nn[nH]n4)c(O)nc3=O)C2)cc1 1592696192 OITQVNLGKJXWJH-UHFFFAOYSA-N 393.367 -0.504 30 20 GBED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cccnc1-c1nn[nH]n1 1606349297 KDZCXRHTZATVMJ-UHFFFAOYSA-N 392.445 -0.502 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCC(O)CC1 1636812095 QEPQCWVMFCHNIA-ZDUSSCGKSA-N 380.470 -0.202 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC3(CCNC3=O)CC2)c1 1639030600 NXDXBHCVPDNGAC-UHFFFAOYSA-N 376.438 -0.035 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)C2CCCC2)C[C@H]1O 1757036522 QJTDOCAOGXDDJC-FPCVCCKLSA-N 379.457 -0.428 30 20 GBED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)n1cnnn1 1780337461 FOHFUAQAVSGXGF-SJKOYZFVSA-N 384.400 -0.422 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)NC)[C@H]2C1 1784411104 OWQVWDAJLVKXOK-AJNGGQMLSA-N 381.473 -0.325 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 1791260782 UGVHRTDBGBSHCE-XUXIUFHCSA-N 395.481 -0.401 30 20 GBED C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1793367889 PRHOHXQIVMIXBY-FQUUOJAGSA-N 383.470 -0.440 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(C)=O 1800533319 PKOIUIZBWFCRRL-GZFHQYITSA-N 381.473 -0.326 30 20 GBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1800982393 DWQYIKJUEVBRIX-ORXSELOVSA-N 380.426 -0.304 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1cncn1 1801261052 XRNKJORYBOUOKJ-MPTYRVRUSA-N 375.429 -0.704 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1829709778 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20 GBED Cn1c(=O)c2c(ncn2CC(=O)[C@@H](C#N)C(=O)Nc2ccccn2)n(C)c1=O 138923751 UMUQFEYKMPFJHH-SNVBAGLBSA-N 381.352 -0.824 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)CC1 192209879 SJUOOCOZPOACCK-HNNXBMFYSA-N 385.472 -0.153 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)C1=O 269935942 YOKYRHOJCZBKMJ-CHWSQXEVSA-N 377.397 -0.050 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC 290080169 OSEMOCNSZWZWGP-SNVBAGLBSA-N 383.426 -0.263 30 20 GBED CC(C)NS(=O)(=O)[C@@H]1CCN(/C(O)=N/C[C@H]2CCN(S(C)(=O)=O)C2)C1 328825834 SNLILPAZKASWRO-CHWSQXEVSA-N 396.535 -0.416 30 20 GBED CN([C@H]1CCNC1=O)S(=O)(=O)CCCS(=O)(=O)N(C)C1(C#N)CCC1 349456069 CYEDHYVZKQRWKD-LBPRGKRZSA-N 392.503 -0.766 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 349473490 IHJHPEGQPIRRIT-ODXJTPSBSA-N 377.488 -0.807 30 20 GBED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C)C[C@H]1C 349481093 ZDXOISIFAXGSGL-CHWSQXEVSA-N 394.519 -0.664 30 20 GBED COc1cc(C[C@H](CO)CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc(OC)c1 410147553 LWWFCKDAQXLNSO-WMLDXEAASA-N 399.469 -0.086 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](OCCN3CCCC3)C2)C1=O 443807218 VQGDXILMXKIZSW-CQSZACIVSA-N 378.429 -0.324 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 509426867 VTSLRUCMBBMKSL-CYBMUJFWSA-N 387.487 -0.133 30 20 GBED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3CN4CCN3CC4)C2=O)cc1 532638270 NFRPSWNNYMMQNU-IAGOWNOFSA-N 396.451 -0.121 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)n1 536974967 DYCIWZYYFTUSEL-GFCCVEGCSA-N 396.473 -0.012 30 20 GBED COc1ccc(CN2CC[C@@H](NC(=O)NCC(=O)NCC#N)C2=O)c(OC)c1 554035415 CBDKHZTXQAKPTO-CQSZACIVSA-N 389.412 -0.256 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3C[C@@H](C)N(C4CC4)C3)CC2)c1C#N 569409262 WCACNGJDZUNWKP-UKRRQHHQSA-N 399.499 -0.010 30 20 GBED CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 592304224 GEHHQNCORPEZQK-FQEVSTJZSA-N 399.451 -0.110 30 20 GBED Cn1cnc(CCCNS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)n1 594627907 HDWGCFNASJHXTI-UHFFFAOYSA-N 398.470 -0.472 30 20 GBED COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N[C@H](C#N)CO)cc1 597743637 FEJBLPOMVZRCCD-CQSZACIVSA-N 385.442 -0.416 30 20 GBED C[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@@H]1CN(C)CCO1 610906241 COKGEPHMBNOVQN-BBRMVZONSA-N 397.439 -0.028 30 20 GBED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2nn[nH]n2)c(C#N)c1 735476591 YLDMFVCGBQDGGA-CQSZACIVSA-N 382.384 -0.196 30 20 GBED CCN(C)S(=O)(=O)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 744240364 NFIGROPZTAWCER-JTQLQIEISA-N 388.471 -0.184 30 20 GBED CNC(=O)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 748399763 VKVGSEOOTUINHN-UHFFFAOYSA-N 379.442 -0.401 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCCN1C(=O)CNC1=O 767680950 OASGKAXIXFWCTF-NSHDSACASA-N 394.409 -0.290 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 783011123 KEBBNRRCPDIXAN-HNNXBMFYSA-N 386.518 -0.075 30 20 GBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O)[C@H]1CCCO1 808229463 BLCRZQQUTUIQMN-SDDRHHMPSA-N 375.347 -0.047 30 20 GBED C#CCCS(=O)(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 808279123 UPMSOEPHXQIPMC-HNNXBMFYSA-N 378.516 -0.449 30 20 GBED C[C@@](C#N)(CC(=O)O)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 819821111 CKEHYJHDFUDHKC-INIZCTEOSA-N 380.426 -0.013 30 20 GBED CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(=O)CNc1ccc(C#N)cn1 825930312 RYCSPHXOLVHRTP-UHFFFAOYSA-N 381.404 -0.058 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CSCCN(CC)CC)CC1 831561032 OGRNIUAALJASQS-UHFFFAOYSA-N 376.548 -0.327 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 846080581 FXNLDWXZSZPQBI-LBPRGKRZSA-N 383.401 -0.074 30 20 GBED C#CCN(CC#CC)S(=O)(=O)CCCS(=O)(=O)Nc1cnsn1 848961284 WIRDUTUIEKEHLB-UHFFFAOYSA-N 376.485 -0.042 30 20 GBED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCNC2)cc1 861543425 BLCXUDZMFQMZGC-QQJFDMGQSA-N 393.469 -0.084 30 20 GBED Cn1cnc2c1c(=O)n(CC(=O)[C@@H](C#N)C(=O)NCc1ccccc1)c(=O)n2C 916887604 QMTLHWIBYGZQIN-CYBMUJFWSA-N 394.391 -0.541 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@H](OC)C2)nn1 946794470 QMYWDNPUQGVFHH-QVHKTLOISA-N 390.444 -0.679 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)c3cc(=O)n(C)cn3)C[C@@H]21 960978245 PBJUSIAKCYLHRE-SYAUCNOPSA-N 388.424 -0.577 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2c(C)ncnc2O)C1 969887358 NNUWOOLWXBNBGM-MQYQWHSLSA-N 376.413 -0.227 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@H]2CC(=O)NC2=O)cn1 1004740528 QTPPPVJCCISMAI-MIGQKNRLSA-N 380.404 -0.023 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@H]1O 1023942954 WTAYVZYSPHDQMG-ZDRJDWQYSA-N 389.456 -0.175 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2nc(C)n(C)c2=O)n1 1055371492 FMBTYNXTTWBSBR-KFWWJZLASA-N 382.428 -0.214 30 20 GBED C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCNS(=O)(=O)c1cnn(C)c1 1109088979 VYYZZHRDPZOEPX-NEBZKDRISA-N 380.474 -0.420 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCCNC1=O 1109427185 RWRSFLLXQAGTBS-RFGFWPKPSA-N 377.445 -0.754 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C(=O)NC)ccc1OC 1254492973 PXEWSHPICBFXTD-UHFFFAOYSA-N 383.426 -0.290 30 20 GBED Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@@H](C#N)C3)CC2)cn1C 1318326277 GLYHDBYICCCUMO-AWEZNQCLSA-N 381.458 -0.120 30 20 GBED CCOC(=O)[C@H]1CNCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1328490537 SRKWYJOLHYXNOT-CYBMUJFWSA-N 394.453 -0.521 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC(O[C@H]3CCOC3)CC2)CCN1C1CC1 1332012692 LTTSTNSLBUXCFH-WBVHZDCISA-N 376.457 -0.018 30 20 GBED C=C(C)COCCNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1347094147 DTITYKAZWYCLEG-MRXNPFEDSA-N 380.489 -0.150 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1565049694 IMHQWZSOOIQADV-HUUCEWRRSA-N 379.442 -0.403 30 20 GBED CN(C[C@H](O)CN(C)c1cncc(-c2nn[nH]n2)n1)C(=O)c1ccc(C#N)[nH]1 1579029572 GETBLZBIBDXHTD-LLVKDONJSA-N 382.388 -0.574 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1OC 1588357328 LMLAWFQXUYMIIR-LERXQTSPSA-N 387.400 -0.811 30 20 GBED O=C(N[C@@H]1CCN(O)C1=O)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2F)C1 1592988558 LKLNXAJVUSUMQW-CMPLNLGQSA-N 375.364 -0.062 30 20 GBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1OC 1602840911 IMXRCHFKIBOCCH-IACUBPJLSA-N 388.432 -0.042 30 20 GBED N#Cc1ncn(CCNS(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)n1 1606398568 KTSUAAKCUOJLJW-UHFFFAOYSA-N 377.365 -0.411 30 20 GBED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778382057 NUDQTMYXRYXCHC-HXUWFJFHSA-N 399.451 -0.127 30 20 GBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781355641 PUJREUSMBOXWRL-IFXJQAMLSA-N 395.456 -0.275 30 20 GBED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CC(=O)NC1=O)C2 1782193929 DQUKIDWMWGWMLC-FZKQIMNGSA-N 378.429 -0.372 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)OC)C1 1782391644 QIYXZOVEYCGGNW-QMTMVMCOSA-N 395.456 -0.105 30 20 GBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1783045951 GTJUUOLLXJIHDG-SCLBCKFNSA-N 381.429 -0.665 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1783179736 WMBORYFTGDWQQO-IFXJQAMLSA-N 395.456 -0.150 30 20 GBED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1793383662 YNDYKFIYKNTWSC-BUONHZGMSA-N 386.518 -0.877 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795360980 ZTPRYBNSRSYZIW-GUIRCDHDSA-N 389.474 -0.579 30 20 GBED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2)N1CCN(C)CC1 1799179354 KGIUIPHCGOUAKI-NXOAAHMSSA-N 391.516 -0.238 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CNC1=O)C2 1800219064 VDKZECOXONFNBW-YIYPIFLZSA-N 393.444 -0.023 30 20 GBED CCN(CC)C[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778811 HUHBVQDZXDDYFK-AFIMGQEJSA-N 379.457 -0.358 30 20 GBED N#CCCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1806863251 NSQPSEBHFIFHMR-MPGHIAIKSA-N 386.456 -0.016 30 20 GBED N#CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1816744936 OREUOQRCKOCDKK-LLVKDONJSA-N 396.371 -0.245 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1831435530 UGRCNRISMJFUSH-HDMKZQKVSA-N 383.445 -0.832 30 20 GBED O=C(C#Cc1ccccc1)NC1CCN(C2CCN(C(=O)C(O)O)CC2)CC1 1834517118 SNFGLTYTJJCSOF-UHFFFAOYSA-N 385.464 -0.080 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)CC1 1835345300 JQGGQAHFJVLNJG-GOSISDBHSA-N 387.396 -0.856 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1835356979 DYYXWUIMCMMGES-INIZCTEOSA-N 392.372 -0.308 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccs1)CCO2 1836091845 DGORUNNXZQNBGX-SFHVURJKSA-N 392.433 -0.165 30 20 GBED Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)c1 1836202079 JHIDLMYGNBERNG-PBHICJAKSA-N 382.486 -0.034 30 20 GBED C[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840025084 WCJNSEBQDJHPIC-HNUSORCJSA-N 382.461 -0.705 30 20 GBED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CN1CCN(C(C)=O)CC1)C2 1841609596 KGLLCHRDISHXFK-MRXNPFEDSA-N 392.500 -0.055 30 20 GBED O=C([C@H](O)N1CCOCC1)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259355 HYQBZLTVXWCIMB-NNIWKIFQSA-N 393.488 -0.688 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1845251575 AVTKICKLSZSTSX-RYUDHWBXSA-N 379.417 -0.411 30 20 GBED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)C(=O)C(=O)O 1847807289 LHIXPCPTZPLAFM-KBPBESRZSA-N 381.429 -0.286 30 20 GBED C/N=C(/NCCS(=O)(=O)N1CCSCC1)N[C@H]1CCN(C2CC2)C1 262805330 SKYVROOIPDHGHY-ZDUSSCGKSA-N 375.564 -0.233 30 20 GBED N#Cc1cccc(NC(=O)CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 265378882 QPRSPTNVICGXCZ-HOTGVXAUSA-N 378.454 -0.416 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C3=NCC(C)(C)S3)CC2)C1=O 267881510 PAFMHDKIVSLIPC-UHFFFAOYSA-N 393.469 -0.011 30 20 GBED CN(C)c1ncc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1C 291373395 UHZZHDMJZBLTGD-UHFFFAOYSA-N 376.442 -0.048 30 20 GBED CN([C@@H]1COC[C@H]1O)S(=O)(=O)CCCS(=O)(=O)N[C@]1(C#N)CC1(C)C 349453729 AIMJSRXIEFTOQP-BZPMIXESSA-N 395.503 -0.991 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)[C@H](C)[C@@H]1C 349466910 RLYVYCIFSXUQDE-MJBXVCDLSA-N 380.536 -0.096 30 20 GBED CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCn2ncnc2C1 349502443 OBDMFZYKVCJFMN-GFCCVEGCSA-N 390.491 -0.623 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCn2ncnc21 349522016 UJZJYJZLAQFHPO-LBPRGKRZSA-N 390.491 -0.371 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](S(=O)(=O)NC)C2)c1 369294805 SGOSMGSDVHVPLZ-HNNXBMFYSA-N 399.494 -0.248 30 20 GBED N#CCCN(CCC#N)C(=O)CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 374839082 MDVHNBBWUFLISR-MRXNPFEDSA-N 397.501 -0.231 30 20 GBED CC(=O)N[C@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 422148462 XTKKYUTWJBYDJB-ROUUACIJSA-N 383.452 -0.040 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)C1=O 440878440 HMNKFEWMZZMSQK-UHFFFAOYSA-N 398.441 -0.964 30 20 GBED CN(CCC#N)S(=O)(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 443268887 BTEMXDZJIAAOCT-UHFFFAOYSA-N 390.487 -0.521 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C1=O 467665918 KQIILBOECGXVME-ZDUSSCGKSA-N 388.490 -0.934 30 20 GBED COCCCS(=O)(=O)NCCN1CCN(c2c(C#N)c(C)nn2C)CC1 472151380 FJJZEHDRMVMUIY-UHFFFAOYSA-N 384.506 -0.322 30 20 GBED COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508318558 NSTUACVHJXDNEC-UHFFFAOYSA-N 378.295 -0.031 30 20 GBED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)[C@@H](C)CC#N 509404152 PBQWSBZCNCGARV-NWDGAFQWSA-N 380.492 -0.910 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)ncc1C#N 515355093 PXWIGJMBICXBDO-UHFFFAOYSA-N 386.412 -0.604 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)C[S@](C)=O)CC2)c1C#N 519786226 WDKPVGBRUHARSS-LJZMDLFKSA-N 380.474 -0.868 30 20 GBED N#Cc1ccsc1NC(=O)CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 533517220 DFMIVSRDCCMAIB-OLZOCXBDSA-N 384.483 -0.354 30 20 GBED C=CCN1CC[C@H](N2CCN([C@H]3CCN(CC=C)C3=O)[C@H](CCO)C2)C1=O 568289838 QWUIXRGVFYHXCO-SQNIBIBYSA-N 376.501 -0.071 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2C[C@@H](O)C2)c1 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C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)CC1 831556196 KIKSNYHHPFJSOL-AWEZNQCLSA-N 384.502 -0.365 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 844200769 FTZDQAFRLVXJHV-HNNXBMFYSA-N 381.414 -0.446 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cncn3C)C2)nn1 1025709330 JPKAHQCCWCUKQR-BRXULGCHSA-N 385.428 -0.697 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(c2ncnc3c2nnn3C)C[C@@H]1O 1044633074 DOBQDXLLEQGOQR-XFMPKHEZSA-N 387.444 -0.205 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCc2nnn(C)n2)C1 1070196332 ROXUKWUHMZMPSN-KBXIAJHMSA-N 387.448 -0.676 30 20 GBED O=C(NCC1(O)CCN(C(=O)C#CC2CC2)CC1)[C@@H]1OC[C@@H]2COCC[C@@H]21 1074580992 FLDPHGPUMDVKIU-XYJFISCASA-N 376.453 -0.079 30 20 GBED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1 1117886457 FNQMYOCLAIHKOR-KRWDZBQOSA-N 398.467 -0.316 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H](CO)CN2CCCCC2)c1 1183432994 QMGYPCFAEPSODP-OAHLLOKOSA-N 380.470 -0.200 30 20 GBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](Cc3ccccc3)O2)C1 1194831834 HXJDUXYIGRGXEY-MKXGPGLRSA-N 385.464 -0.313 30 20 GBED C#CCOCCNC(=O)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 1260264200 MMLYVHSRNWCYHL-UHFFFAOYSA-N 388.468 -0.301 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)C1=O 1321338890 KAAGUAHGDGWNDR-AWEZNQCLSA-N 388.428 -0.655 30 20 GBED CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)C(=O)N2CCO[C@H](C#N)C2)C1 1325618404 HDGRUMUQPOKGHO-KGLIPLIRSA-N 396.444 -0.120 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(Cc3ccncc3)CC2)CCN1C1CC1 1331946522 RJLMNIMQSACOEZ-SFHVURJKSA-N 382.468 -0.075 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCc1ccc(OCC#N)cc1 1350726108 HRQFSHYIIURESX-UONOGXRCSA-N 381.410 -0.867 30 20 GBED Cn1c(CCO)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1525475557 FJZLCWKCIDHIAZ-UHFFFAOYSA-N 376.442 -0.268 30 20 GBED C[C@H](C#N)C(=O)N1CC[C@]2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCO2)C1 1573568247 ZYXDNBGCZLJNHU-PIGZYNQJSA-N 384.400 -0.202 30 20 GBED N#CCSCC(=O)N[C@@H]1CN(C(=O)CCCCCc2cnn[nH]2)C[C@@H]1O 1577709940 IXGBTAUGJCJDMX-KGLIPLIRSA-N 380.474 -0.148 30 20 GBED N#Cc1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)CC(=O)NCc3cnn[nH]3)C2)[nH]1 1577715737 VESNNQNHMDHNIX-UMSPYCQHSA-N 384.400 -0.664 30 20 GBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c(C#N)cn1 1580976549 OPOVTKABOGQEQM-HIFRSBDPSA-N 379.384 -0.251 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](N=c1cc[nH]c(-c2nn[nH]n2)n1)C(C)C 1588351314 OGGGVKCPRJOGRQ-KGLIPLIRSA-N 383.460 -0.271 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nn[nH]n1 1588499557 JWKBFNRYSXSAJH-PXAZEXFGSA-N 375.433 -0.156 30 20 GBED C=CCNC(=O)NC(=O)CN1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588658262 FAVNOXUYKZRTSM-NSHDSACASA-N 387.404 -0.989 30 20 GBED C=CCn1cc(C(=O)NCCN(CC)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 1588713781 TVQAZHKQYWUHKN-UHFFFAOYSA-N 384.404 -0.136 30 20 GBED C=CCC1(C(=O)NC[C@H](O)CN=c2cc[nH]c(-c3nn[nH]n3)n2)CCOCC1 1602817905 UFCKBIQGBWHRQQ-GFCCVEGCSA-N 388.432 -0.660 30 20 GBED C=CCCOCC(=O)NC1(CN=c2cc[nH]c(-c3nn[nH]n3)n2)CCOCC1 1602845087 WJTNRFKFFOUHEM-UHFFFAOYSA-N 388.432 -0.251 30 20 GBED C=CCn1cc(C(=O)NCCN(c2ccc(-c3nn[nH]n3)nn2)C2CC2)nn1 1602882883 YZMWNJYQRPAWSZ-UHFFFAOYSA-N 381.404 -0.167 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@@](F)(C#N)C1 1609125849 SWPIQBQCBSMMKF-ZUZCIYMTSA-N 393.404 -0.002 30 20 GBED C=CCOC[C@@H](NC(=O)[C@H]1CCCCN1C(=O)c1ccc(O)nn1)C(=O)O 1609432292 MYBRCMQBXBXZJF-CHWSQXEVSA-N 378.385 -0.051 30 20 GBED CC(=O)N1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)CC1 1778353719 FYWABPJLFNRXGW-IBGZPJMESA-N 391.472 -0.716 30 20 GBED CC(C)(C)n1cc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nn1 1780356506 FSWLKQNDGCIGHK-GOSISDBHSA-N 389.412 -0.435 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1781271575 DZRZBIVFHALIOM-GOSISDBHSA-N 381.429 -0.538 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782659097 LVTIUEFWFHJGDU-HNAYVOBHSA-N 390.440 -0.336 30 20 GBED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)C2 1783164561 HDMNUCBOZNAHOK-QMTMVMCOSA-N 378.473 -0.494 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2 1783564788 MNZPLJQCHSTHAQ-RIYWLQNKSA-N 393.396 -0.567 30 20 GBED CN(C)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cn1 1783567348 XGDPOZAKPRQYMT-IBGZPJMESA-N 386.408 -0.321 30 20 GBED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2 1783908108 ZWEHRVYLAAPCGN-QAPCUYQASA-N 381.429 -0.316 30 20 GBED CCOC(=O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785525996 WKNLJNZORRGWES-GOSISDBHSA-N 380.397 -0.506 30 20 GBED Cc1nccn1[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791079284 CSYVAHRMMIUTDN-OEAJRASXSA-N 388.424 -0.180 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnsn1)C2 1792484170 FJIINCGDBLKEHV-OAILTHCBSA-N 391.453 -0.400 30 20 GBED O=C1NC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)O1 1793420308 KHCHLQQJMYBKOB-QOOYEKLDSA-N 393.444 -0.844 30 20 GBED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CNC1=O)C2 1793562976 YKQJRAAXQIRVNA-YIYPIFLZSA-N 376.413 -0.785 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1794086422 LKZKCGMFQJZZRV-YIYPIFLZSA-N 393.444 -0.023 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC=O 1799287356 LJIKNBCMXVHZHJ-AYDFFVQHSA-N 381.429 -0.780 30 20 GBED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2)C(F)(F)F 1800548352 FPVURYIVZLZIPC-NOHGZBONSA-N 393.362 -0.243 30 20 GBED CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)c[nH]1)C2)C(=O)C(=O)O 1801330928 SNYLFFMBGYPAJY-CLLJXQQHSA-N 387.396 -0.319 30 20 GBED NC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)cc1 1801658257 VNKKZVYADUWDHL-XOIINTDNSA-N 385.376 -0.923 30 20 GBED C=CC(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1820148438 LIKNWWIUORKFAT-UWVGGRQHSA-N 390.421 -0.166 30 20 GBED NC(=O)[C@H](N)CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200628 NMXZGEUOXUGOQH-ZYHUDNBSSA-N 390.400 -0.917 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1830061496 HUPWKVKDPDTNHD-UGSOOPFHSA-N 378.429 -0.871 30 20 GBED N=C1NCCN1CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831669677 KIYKEHQFOLPJER-HNNXBMFYSA-N 389.456 -0.466 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1832796037 LJDADKSXURGRBH-INIZCTEOSA-N 392.372 -0.839 30 20 GBED COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1835247005 DFJJHJNTXKEMEK-LJQANCHMSA-N 395.456 -0.200 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1835302111 URSUJONYVMFNBG-SPYBWZPUSA-N 395.456 -0.688 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN(C)C)CCO2)C1 1835381139 COVMOVUOMMWHDH-VQIMIIECSA-N 383.489 -0.014 30 20 GBED C#CC(=O)N1CCC(N2CCC(NC(=O)c3cnncc3C(=O)O)CC2)CC1 1835920746 MYBCSQFNTVKYLU-UHFFFAOYSA-N 385.424 -0.007 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1836000704 JSYAXIWBCQQBFQ-FQEVSTJZSA-N 387.436 -0.282 30 20 GBED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840295538 UVAHCOKHYOKJOO-LJQANCHMSA-N 376.409 -0.276 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)CCS(C)(=O)=O)C1 1846700067 MWRXUEHTLITDNN-UHFFFAOYSA-N 384.502 -0.094 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN2C(=O)NC[C@H]2C1 268907569 SDNJOQJOPOZWLQ-YPMHNXCESA-N 377.426 -0.539 30 20 GBED CNS(=O)(=O)c1ccc(C(=O)N(CCC#N)CCN2CCOCC2)cn1 274490739 FIXHOOITPBVJSN-UHFFFAOYSA-N 381.458 -0.322 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CC(C(N)=O)=NO3)C2=O)cc1 297290823 LQUXTJMGLJVAJZ-KGLIPLIRSA-N 384.396 -0.017 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)cc1 299028399 VAEDOEIUTBSZPI-LBPRGKRZSA-N 394.453 -0.235 30 20 GBED CC1(C)CCN(S(=O)(=O)CCCS(=O)(=O)NCC#N)CC[S@]1=O 349457225 DXTPSBQMAFMOMU-OAQYLSRUSA-N 385.533 -0.618 30 20 GBED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 370732559 NHIUERGLELBZAH-QXGUJMOYSA-N 375.473 -0.052 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2nnc3n2CCOC3)cc1 375447988 PAPZBIUMYFOHTI-UHFFFAOYSA-N 375.410 -0.350 30 20 GBED CC(C)[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1nc(-c2nc[nH]n2)no1 409508678 SIWSRYZRUZGSCY-ZJUUUORDSA-N 382.406 -0.389 30 20 GBED CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)Nc1ccn(CCC#N)n1 441606600 CMJJJUPPFRYQOF-UHFFFAOYSA-N 376.461 0.552 30 20 GBED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)c2cnn(C)c2C#N)c1 475650549 ZYFBSVFQEAHQEE-JTQLQIEISA-N 390.425 -0.043 30 20 GBED C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOCC1 481487191 ASWWCKSMMMZPEU-OLZOCXBDSA-N 394.453 -0.411 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C)C(=O)N1CCOCC1 481487193 ASWWCKSMMMZPEU-STQMWFEESA-N 394.453 -0.411 30 20 GBED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 484221728 MBOQELONABDLRY-GFCCVEGCSA-N 375.381 -0.184 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCN2CCN(c3ccccc3)CC2)C1=O 522123949 KZBUBLFQMYCCHB-UHFFFAOYSA-N 399.451 -0.098 30 20 GBED C[C@@H](C(=O)N1CCOCC1)N1CCN(CC(=O)N(CCC#N)CCC#N)CC1 531841189 PGZOWXLIQNDVQZ-KRWDZBQOSA-N 390.488 -0.493 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1cccc(C#N)c1 545465865 VUFZLXMHJDAUIT-CQSZACIVSA-N 381.410 -0.373 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H]2CCNC2=O)cc1 563425316 ALJQQVRNICIXPC-CYBMUJFWSA-N 386.455 -0.660 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](N3CCNC3=O)C2)c1 563783676 NOKREMSDIJTRGG-CQSZACIVSA-N 391.453 -0.147 30 20 GBED N#CCC1(O)CN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)F)cc2)C1 565904708 RUKCQKYKZGRJRA-UHFFFAOYSA-N 395.409 -0.121 30 20 GBED Cn1ccc(CCNS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)n1 567487252 HCTQRVRARYCFQO-UHFFFAOYSA-N 383.455 -0.257 30 20 GBED CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 576025437 GEYMXKODKZNARH-GJZGRUSLSA-N 384.440 -0.367 30 20 GBED C[C@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCS1(=O)=O 589496190 YTQBXAXKYPSXEY-LBPRGKRZSA-N 385.467 -0.128 30 20 GBED N#Cc1ccc(S(=O)(=O)CCN[C@H]2CCN(CCN3CCOCC3)C2)nc1 591740168 RVZVREGDQYGKDX-KRWDZBQOSA-N 393.513 -0.277 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCC(N3C[C@@H](C(=O)O)CC3=O)CC2)C1 593770474 RNRZSKXYAOFHRU-APPDUMDISA-N 380.376 -0.625 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N2CCC(CN3CCOCC3)CC2)CC1 601427238 ZBDKYYCHFLWAJP-UHFFFAOYSA-N 377.489 -0.385 30 20 GBED O=C(NC1CC1)C(=O)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 625085324 WTCJODSEKYQRRZ-UHFFFAOYSA-N 394.431 -0.291 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)CC1 745936689 XUNHDFIHBCKHGJ-UHFFFAOYSA-N 393.465 -0.163 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NN2CCCNC2=O)cc1 756239346 HXBRVULREBHKHG-UHFFFAOYSA-N 395.441 -0.122 30 20 GBED C[C@H](CC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)/N=C1/NS(=O)(=O)c2ccccc21 759850246 OFJAAQOXUFIIHL-NTZNESFSSA-N 394.453 -0.347 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)C#Cc1ccc2c(c1)OCO2 773679776 ZZBURKJZAYGLLI-AWEZNQCLSA-N 388.376 -0.327 30 20 GBED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1cnn(CC#N)c1 785279575 CXBFATQDQPSGLU-LPWJVIDDSA-N 389.368 -0.703 30 20 GBED CN(C)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)co1 813980849 JOZBIYYNXWZXBS-UHFFFAOYSA-N 384.395 -0.085 30 20 GBED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H]2CCCN(O)C2=O)[C@H](C)O)cc1 820475956 DESXBXQHMMWCRT-UBHSHLNASA-N 385.442 -0.481 30 20 GBED CC1CCC2(CC1)NC(=O)N(NC(=O)Cn1cnc(C#N)c1-c1nn[nH]n1)C2=O 824915532 FZFQUUXEBDONQF-UHFFFAOYSA-N 398.387 -0.533 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 827431859 YGJHKNPGKLOYRN-SFHVURJKSA-N 383.514 -0.191 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cnnc1O 960273693 RKZAFGUNAKURHD-CBBWQLFWSA-N 391.428 -0.597 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCOCC2)C[C@@H]1O 970702455 RZIRCIKWWZZLLO-WCVJEAGWSA-N 381.473 -0.624 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@]2(C)C1 993080711 KVJZJRLPMSTWRF-QCUYGVNKSA-N 389.456 -0.520 30 20 GBED N#Cc1cccnc1N1CCN(C(=O)[C@@]23COC[C@@H]2C3)[C@@H]2CS(=O)(=O)C[C@@H]21 1054787860 CRHFODBYZZQACC-AFIMGQEJSA-N 388.449 -0.196 30 20 GBED N#Cc1ccc(N2CCN(C(=O)[C@@]34COC[C@@H]3C4)[C@@H]3CS(=O)(=O)C[C@@H]32)nn1 1054787900 FNGIYWDZZHXVBM-DPYKFYPSSA-N 389.437 -0.801 30 20 GBED CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)cc1 1110859666 IJPIJFLGHMZRMJ-OAGGEKHMSA-N 377.470 -0.166 30 20 GBED C#CCN1CCC[C@H](NC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)C1 1119364939 TUUOXJVQRNJGRN-JKSUJKDBSA-N 386.518 -0.128 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N(CC)CCC#N)C[C@@H]1O 1219655951 COUCVBYUVSSFRU-NCOADZHNSA-N 378.473 -0.109 30 20 GBED C#CC1CCN(C(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 1261467914 TZGAMBJBAYPTEW-OAHLLOKOSA-N 385.486 -0.537 30 20 GBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 1261612375 QDOLXPGVTCYWRW-LBPRGKRZSA-N 375.454 -0.043 30 20 GBED N#Cc1cn(CCC(=O)NC[C@H](O)COc2cccc(F)c2)c(=O)nc1O 1294766245 ZKVICXQDSDHEAB-ZDUSSCGKSA-N 376.344 -0.094 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)C1 1326546363 DJKACFLLOAJZTI-OXQOHEQNSA-N 399.451 -0.766 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C[C@H]1c1ccc(O)cc1 1328786181 QJGYHGGNMXIBDC-HRCADAONSA-N 387.392 -0.142 30 20 GBED N#Cc1cccc(CN2CCC(NC(=O)C(=O)N3C[C@@H](CO)[C@@H](O)C3)CC2)c1 1332842847 NEZNQDIBUJYOQM-WMZOPIPTSA-N 386.452 -0.550 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCc2ccccc2[C@H]1CO 1342098774 NYIFFTUPQKYJIX-BQASMSSTSA-N 398.419 -0.253 30 20 GBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNCc1ccc(F)c(-c2nn[nH]n2)c1 1573286276 YCFZHDVSYFFOEL-OCCSQVGLSA-N 390.419 -0.047 30 20 GBED C=CCn1cc(C(=O)NCC2(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)nn1 1573350287 CHICQNAYIOBTBG-UHFFFAOYSA-N 382.388 -0.335 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](C(=O)N2CCN(Cc3cnn[nH]3)CC2)C1 1575012630 FAGWTGQTWDYVFG-HOTGVXAUSA-N 388.472 -0.274 30 20 GBED C#CCOCCC(=O)N(CC)[C@@H]1CCN([C@@H](C)C(=O)NCc2cnn[nH]2)C1 1575013732 SSNHBTOJKOTKQI-GOEBONIOSA-N 376.461 -0.228 30 20 GBED C#Cc1ccc(C(=O)N2C[C@H](NCC(=O)NCc3cnn[nH]3)C(C)(C)C2)nc1 1575022443 PPSOOAJMSJIADU-INIZCTEOSA-N 381.440 -0.062 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CC(=O)N(C3CN(CCc4cnn[nH]4)C3)C2)c1 1575032821 NVLFPDQYRNINMK-MRXNPFEDSA-N 379.424 -0.561 30 20 GBED N#Cc1cc(C(=O)NC[C@@H]2CN(CC(=O)NCc3cnn[nH]3)CCCO2)c[nH]1 1577712776 YRTYLIUPKMGEIE-OAHLLOKOSA-N 386.416 -0.858 30 20 GBED COC(=O)[C@H](Cn1cncn1)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1579436516 JPSSTRBXIKRERJ-KGLIPLIRSA-N 395.383 -0.502 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)CCO1 1581857286 WRTKRAAXGGXAEW-UONOGXRCSA-N 375.414 -0.607 30 20 GBED N#Cc1ncc(N2CCN(CC(=O)N3CCCCC3)CC2)nc1-c1nn[nH]n1 1581882046 JMCIMQDVHJBZJO-UHFFFAOYSA-N 382.432 -0.337 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2cc(-c3nn[nH]n3)nc(C3CC3)n2)CC1 1588353862 KASKYEVILLFOPR-UHFFFAOYSA-N 389.445 -0.876 30 20 GBED C#CCO[C@H](C)C(=O)N[C@]1(CO)CCCN(c2nccnc2-c2nn[nH]n2)C1 1588355504 IZILNYGJMILDKV-SJKOYZFVSA-N 386.416 -0.858 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O 1588504133 JCEMOQBPHUIJNC-VKJFTORMSA-N 390.419 -0.006 30 20 GBED COC(=O)CN(CC#N)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C(=O)OC 1591266979 AOGGYBBHVDXNGJ-UHFFFAOYSA-N 394.369 -0.659 30 20 GBED C=C[C@H](C(=O)O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1609264375 MXNBGFOQAKGZMQ-CYBMUJFWSA-N 381.410 -0.037 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3COCO3)CC2)cc1 1675465106 LRPJUGSOIGPUIU-CQSZACIVSA-N 380.426 -0.053 30 20 GBED N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1712884599 PCBSVBKLHMUNOS-BFHYXJOUSA-N 381.458 -0.055 30 20 GBED Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)n(C)n1 1782010646 FWAKIDNAKSCLOY-DNVCBOLYSA-N 388.424 -0.056 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N(C)C(C)=O)C[C@@H]21 1784482009 APWBEPSLNAYCBH-SRIISGBFSA-N 393.484 -0.129 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@@H]21 1790792586 SMIXNZOJIXHXTA-JYJNAYRXSA-N 397.497 -0.729 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1ccncc1=O)C2 1792568561 DJNADFDYMAEXNU-QSTDJZKOSA-N 399.451 -0.260 30 20 GBED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1792631423 UOAXCTHRBYGADA-CLLJXQQHSA-N 383.412 -0.123 30 20 GBED C[Si](C)(C)C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(O)O 1792798117 MULWWOYTPHLHBK-MIFYACCESA-N 382.533 -0.062 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2 1793358820 SURUOWKSXFZEBS-NFFDBFGFSA-N 376.413 -0.436 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Cn1cncn1 1797894216 GEFUBKDVGCWICQ-NNXHMXCWSA-N 389.456 -0.458 30 20 GBED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)n1cccc1C=O 1800776246 YNFFWZZLMDEOCA-ZUMXRPEOSA-N 387.392 -0.461 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 1801066888 GHKRKLMYIWYMRD-OWVAZHOYSA-N 393.484 -0.325 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)Cn2cncn2)[C@@H]1c1cccnc1 1812877778 AFBZSHMMUUSNTR-KBXCAEBGSA-N 382.380 -0.533 30 20 GBED N=C1NCCN1CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200668 PUYOJRHUGIQJSE-LBPRGKRZSA-N 387.400 -0.670 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1C)CCO2 1832056625 SRIIJFLOVANPBB-ABSDTBQOSA-N 393.484 -0.425 30 20 GBED COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1833509020 UYNZALPXYODBKM-PXAZEXFGSA-N 396.469 -0.127 30 20 GBED NCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489481 INHGQMRWEWSWDE-LJQANCHMSA-N 379.457 -0.900 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnnc1O)CCO2 1838369374 JODDGXFXNDVGPP-KRWDZBQOSA-N 375.385 -0.444 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1840159964 SHDVHDGMNXRNJX-GUYCJALGSA-N 385.486 -0.617 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCn4cncn4)CCO3)C2)CC1 1840356665 IHJLXDZXMMKZJP-GOSISDBHSA-N 388.428 -0.572 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cnncc1C(=O)O)C2 1841054794 DQPJCUYBDKYMSY-PLNGDYQASA-N 399.407 -0.150 30 20 GBED N#Cc1ccccc1OCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 264075051 ISFFPPFQXXAUCJ-LSDHHAIUSA-N 379.438 -0.449 30 20 GBED C[C@H](N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)Nc1cccc(C#N)c1 265469929 PCDFYRYZYVFZKP-RRQGHBQHSA-N 392.481 -0.027 30 20 GBED C#CCCN1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 268593447 HWRGTPDAIKETCL-UHFFFAOYSA-N 385.511 -0.064 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCNS(C)(=O)=O 268780309 XNSCQUJEEYPMEL-NSHDSACASA-N 388.471 -0.719 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CO)COC)cc1 290389639 NWZYIVOAFCHQFK-ZDUSSCGKSA-N 385.442 -0.445 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 349455845 CZONZZQTNRGWPZ-MELADBBJSA-N 378.520 -0.436 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@]2(CCN(C)C2)C1 349505860 SNPFCSBMJJWWFP-HUUCEWRRSA-N 392.547 -0.092 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](S(=O)(=O)NC)C2)cc1 371005645 PFPLFOZKDVEFCB-AWEZNQCLSA-N 387.483 -0.085 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC(NC(=O)C4CC4)C3)n2)c(F)c1 442533637 GIFKCCGRXOJYID-UHFFFAOYSA-N 396.382 0.559 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C(C)(C)C(N)=O)cc1 568252343 PBRUADSUXHQPNY-UHFFFAOYSA-N 388.471 -0.285 30 20 GBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 592320827 FKYMZXUIXLEHPW-PWSUYJOCSA-N 377.401 -0.169 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2cc(S(C)(=O)=O)ccc2=O)CC1 592351378 OPUYZMCLKMGQSA-OAHLLOKOSA-N 380.470 -0.056 30 20 GBED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[C@](O)(CC#N)C2)[C@@H](C)O)cc1 592847893 RJLXXWIFNYFDQI-UKPHBRMFSA-N 381.454 -0.100 30 20 GBED Cc1nc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)N(C)CCC#N)cn1C 726642834 JRAIUMIDHKSDFI-LLVKDONJSA-N 385.446 -0.299 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cn(C)cn1 756464959 PUDDPZJIVWIBED-NHYWBVRUSA-N 385.446 -0.315 30 20 GBED CC(C)(C#N)CS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 776143574 RCOVCYDHTMIZBE-UHFFFAOYSA-N 387.439 -0.445 30 20 GBED O=C(O)[C@H]1COCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 776628880 PFPVJLCTEUHBEU-GFCCVEGCSA-N 381.410 -0.183 30 20 GBED Cc1ccc2nc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)cn2c1 789037028 GWMCTTIBTMNJNM-UHFFFAOYSA-N 376.398 -0.647 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](OC(=O)N(C)C)C2)c1=O 840108967 ZKNMCXRKQZNNRJ-CQSZACIVSA-N 393.444 -0.336 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 968507540 TYSQBORCEGSIMK-FQLMCAECSA-N 386.470 -0.910 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CC(=O)NC1=O 996920357 CKORNBOUUXOMHC-RVFOSREFSA-N 390.440 -0.233 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc(C)c(C)[nH]c2=O)C[C@H]1O 1025711280 MNSYZYQCIXNBIK-SYQHCUMBSA-N 376.413 -0.721 30 20 GBED C=CCNC(=O)CN1CC(N2C[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2=O)C1 1108572737 CSLXJOGTXJQGCZ-MIGQKNRLSA-N 376.457 -0.743 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnnn1CC 1109240067 RUNAVAYTHIVFPQ-AGIUHOORSA-N 375.433 -0.355 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@H](C)NC(N)=O 1109279937 WEZFCTVFKVBCLW-RNJOBUHISA-N 380.449 -0.833 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1coc(S(N)(=O)=O)c1 1110732847 XQDUMNLDDKUTLI-UPJWGTAASA-N 382.442 -0.436 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)C1CCOCC1 1111164208 ODGZVLLMGAEXTA-OAGGEKHMSA-N 376.457 -1.000 30 20 GBED N#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)[C@@H]2C1 1221645931 ZKLILVCMWWNDSR-OXHZDVMGSA-N 390.362 -0.495 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 1258297560 QPTCJSOGZNTCBL-INIZCTEOSA-N 395.419 -0.030 30 20 GBED Cc1cc(NC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)nn1CCC#N 1320452238 VNSDDMKLKCMKQZ-UHFFFAOYSA-N 375.433 -0.676 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)n1 1321416909 VRFGDJISIKYMQW-ZDUSSCGKSA-N 394.457 -0.238 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)nn1 1326700542 DEYSKBXQXHTWRO-MRXNPFEDSA-N 382.424 -0.002 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)N2CC[C@H](NC(N)=O)C2)CC1 1327730522 UAPGEURYZUAAIX-NSHDSACASA-N 376.442 -0.462 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CNC(=O)C1 1333041954 SMTIEVAJBMOCCU-NSHDSACASA-N 386.455 -0.755 30 20 GBED CCCN(C(=O)C(=O)NCCNc1ncccc1C#N)[C@@H]1CCS(=O)(=O)C1 1345023509 WHTRYNZCERMXEC-CQSZACIVSA-N 393.469 -0.093 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 1349082669 JGKMBJPWLWQZCJ-KBMXLJTQSA-N 379.457 -0.020 30 20 GBED C[C@H](C(=O)N1CCCC1)N1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1573627468 BWEUVGAIRJPPHL-GFCCVEGCSA-N 382.432 -0.339 30 20 GBED C#CCN1CCC(C(=O)N[C@H](C)CN(C)[C@@H](C)C(=O)NCc2cnn[nH]2)CC1 1574966749 HCTSDMICHSRNPT-CABCVRRESA-N 389.504 -0.409 30 20 GBED C#CCOCCC(=O)N[C@H](C)[C@@H]1CN(C(=O)CCCc2cnn[nH]2)CCO1 1575013135 MHJOCUMOMUKLFY-ZBFHGGJFSA-N 377.445 -0.101 30 20 GBED CCN(CCC#N)C(=O)CN1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1577909274 KNWOGOKEORGOBT-CYBMUJFWSA-N 385.432 -0.239 30 20 GBED N#Cc1cc(C(=O)NC[C@@H]2COCCN2c2cncc(-c3nn[nH]n3)n2)c[nH]1 1581865591 LNLAWCFZBFDUPB-GFCCVEGCSA-N 380.372 -0.508 30 20 GBED C#C[C@H]1COCCN1CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O 1588330980 MYFSNDKFDPKKCH-HNNXBMFYSA-N 381.396 -0.078 30 20 GBED C#C[C@@H]1CCCN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)C1 1588331518 BJXZMFUPDKEQSR-LLVKDONJSA-N 385.432 -0.565 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588500121 QZWSREOWMSJHGW-APPDUMDISA-N 391.432 -0.587 30 20 GBED CC(C)(C)c1csc(NC(=O)C(=O)NCC(=O)NCC#N)c1-c1nn[nH]n1 1603120634 JNIUXXLLSNTCOV-UHFFFAOYSA-N 390.429 -0.080 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CF)C(=O)O)cc1 1606076725 PFFPWCPWEZKDRJ-LLVKDONJSA-N 379.391 -0.468 30 20 GBED N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 1648500662 MDBZXOFWDMEVEP-MLHJIOFPSA-N 389.477 -0.036 30 20 GBED CNS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1748296687 BRADWQSXPZXKGE-HNNXBMFYSA-N 393.517 -0.044 30 20 GBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1795081420 ATPGRZNLRDCGQM-DRXBFXEBSA-N 386.412 -0.867 30 20 GBED Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)no1 1795420381 NXQBNWGPZBAJDS-FVCICTRLSA-N 389.412 -0.394 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNc2ccccc21 1795624928 LVHAYBBQCVGCAL-FCIKYMEBSA-N 383.404 -0.127 30 20 GBED CC(=O)O[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)C(C)C 1797596033 HXAKUPIZAPWRKW-RMHZUWNSSA-N 380.397 -0.748 30 20 GBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCN(C)CC1 1799186776 RQLIWHKRJZOYBI-DGADGQDISA-N 384.546 -0.470 30 20 GBED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc1 1800775640 AHKCZVQPSWAPJU-YVWYUNDQSA-N 386.404 -0.085 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[nH]c3nccc1-3)C2 1800776075 RDNDPLGMCUIWNJ-DPIQGUFMSA-N 382.376 -0.194 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801732151 MEXXOKPWMCXIKD-NXOAAHMSSA-N 383.489 -0.498 30 20 GBED N#CCCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1806860527 LYAQOZCRBZRCOI-KSSFIOAISA-N 398.423 -0.057 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CNC(=N)N)n[nH]1 1817250621 PLEQZFBDIJWVHW-DGCLKSJQSA-N 375.433 -0.077 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CSCC(=O)O)CC2 1825674717 NTLKGHUINJXBME-MRVPVSSYSA-N 397.434 -0.039 30 20 GBED NC(=O)[C@@H](N)CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1826937686 JIJRVVWNECBKTI-LSDHHAIUSA-N 392.456 -0.713 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1830050518 MCQRKCXRVDUYDF-YVEFUNNKSA-N 380.401 -0.899 30 20 GBED Cc1cccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831842191 QTYGPDKFRRJYQC-LJQANCHMSA-N 387.392 -0.452 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1834768633 HHSJBBQOVRVKSM-OAHLLOKOSA-N 380.430 -0.733 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1839105178 TXYBBADPWRSFLF-FXAWDEMLSA-N 394.516 -0.345 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2 1839665804 YKLAIOHLVNJRNS-IBGZPJMESA-N 388.424 -0.887 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)CC)CCO2 1839827981 WDMAQUNXFJLHCC-VOFKWLDRSA-N 393.440 -0.720 30 20 GBED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2)c1=O 255563948 WFMZJQYNCZTRLZ-UHFFFAOYSA-N 399.472 -0.082 30 20 GBED CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(c2ccc(C#N)cn2)CC1 267124713 KNECLBSSEDOCIB-UHFFFAOYSA-N 395.485 -0.054 30 20 GBED C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 271993646 MJGSTSCZDDYFCO-UHFFFAOYSA-N 391.453 -0.124 30 20 GBED C[C@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccc(C#N)cc1 284149491 XEXGFJRYCXBROP-ZDUSSCGKSA-N 397.435 -0.315 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 298818863 ZLQHHBOZGPHJJW-UOVPBQLFSA-N 386.452 -0.132 30 20 GBED C[C@H]1CN(C(=O)C/N=C(/O)c2cccc(S(=O)(=O)N(C)C)c2)CC(=O)N1 331300778 DXEZVOHHHNBGBQ-NSHDSACASA-N 382.442 -0.412 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@]2(CCN(C)C2)C1 349494406 CEAAOGPUCIJLFZ-OAHLLOKOSA-N 392.547 -0.091 30 20 GBED C[C@@H]1CC(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N 349510388 QPHMWRXWYBNULZ-GFCCVEGCSA-N 394.519 -0.520 30 20 GBED CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 349517131 FCWJNZSUUSBUPN-LBPRGKRZSA-N 392.503 -0.862 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CCO1 409540940 LJDARKWDEYLLSV-INIZCTEOSA-N 393.469 -0.288 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 430403661 UZUOERNGEKALKF-UXLLHSPISA-N 392.500 -0.105 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@H](O)[C@@H](O)C3)n2)c(Cl)c1 434565289 JJAGICMRCHIUDR-STQMWFEESA-N 375.772 -0.100 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3[C@H]4CC[C@H]3CC(=O)NC4)n2)cc1 441550939 LMIFYIRTNFDGIJ-GJZGRUSLSA-N 393.407 0.016 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 540267390 WWMGZHAOSKAOJE-UHFFFAOYSA-N 387.444 -0.279 30 20 GBED C=CCCOCCNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 564114115 WBTGFANNNOJJMU-INIZCTEOSA-N 396.488 -0.913 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@](C)(C#N)CN(C)C)c1 565604401 QXDZSRXJKKGYMX-QGZVFWFLSA-N 397.501 -0.161 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2ccccc2)CC1 567416429 SWSGXLQZIKNAMR-UHFFFAOYSA-N 380.470 -0.589 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3CCNC(=O)C[C@@H]3C)CC2)c1C#N 590986004 HXJARYZGPPHGOD-NSHDSACASA-N 390.469 -0.291 30 20 GBED COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 601474672 SRJBHHQCTKGCBG-UHFFFAOYSA-N 379.461 -0.860 30 20 GBED Cn1c(=O)c2c(ncn2CC(=O)C(C(=O)O)=C2Nc3ccccc3N2)n(C)c1=O 738999382 PWHAJNONKVZZTO-UHFFFAOYSA-N 396.363 -0.163 30 20 GBED C#CCNC(=O)C1CCN(C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 747824047 GCIMNFYTCQHQBE-UHFFFAOYSA-N 397.435 -0.458 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C(=O)c3cnn(C)c3)CC2)o1 748430279 KWVSCXXDINBJIM-UHFFFAOYSA-N 386.368 -0.337 30 20 GBED CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N 769205155 JEMHWONOYGBZGD-SNVBAGLBSA-N 382.398 -0.386 30 20 GBED N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CCC1 771078248 ONFBGMXBINWBOR-UHFFFAOYSA-N 397.434 -0.029 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)[C@H]1CCCO1 773797500 ODDLPJRXMJRNRB-JKSUJKDBSA-N 375.429 -0.549 30 20 GBED C[C@@H](OC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)N(C)CCC#N 786369324 XMZDLNRJXRUZJZ-FWZIUSJTSA-N 377.397 -0.157 30 20 GBED C#CCCS(=O)(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 810779582 SQQWPOBUAGGUNC-QGZVFWFLSA-N 393.421 -0.069 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H]3C=C[C@H]2N(C(=O)OC)C3)CC1 819244621 RCWCIGSMUXGAEL-BRWVUGGUSA-N 388.468 -0.087 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2nn(CC)nc2C)c1=O 839240899 VSUYCPGFIXYPNM-UHFFFAOYSA-N 398.492 -0.118 30 20 GBED O=C(N[C@@H]1CCCN(O)C1=O)c1ccc(C(=O)N[C@@H]2CCCN(O)C2=O)o1 848136532 OHFOKEGGSOMFKZ-NXEZZACHSA-N 380.357 -0.500 30 20 GBED COC(=O)C[C@H](O)CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 863016013 JBPVLVVICRZANU-MNOVXSKESA-N 383.426 -0.456 30 20 GBED N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 919815778 BTGGSTDOPHOPGC-OAHLLOKOSA-N 397.478 -0.167 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnnn1C 960323771 YPBZHZOJEOQMLH-HNKHHVNMSA-N 375.429 -0.152 30 20 GBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CCO[C@H]3C(=C)C)C2)nn1 964504654 ZECXYGPQZMFYCA-XRGAULLZSA-N 375.429 -0.253 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1043029209 SGXCURKUBIKPOZ-FPCVCCKLSA-N 379.457 -0.286 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CCN1Cc1ccccc1 1117603771 AVQOGKUNBYUEBW-IKGGRYGDSA-N 399.451 -0.628 30 20 GBED CC#CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1117859054 VDKUQFOXMKRTFY-UHFFFAOYSA-N 384.483 -0.234 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)nn1 1118115987 MDBRMWSCVNCFRP-CQSZACIVSA-N 396.473 -0.893 30 20 GBED C=CCN(C(=O)C(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1)[C@H](C)COC 1118467842 JIUYPUAUBFOFHP-CHWSQXEVSA-N 379.417 -0.112 30 20 GBED CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)CC1 1118898886 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C=CCNC(=O)[C@@H](C)N1CC(N(C)C(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575103911 JVHGARJNPWSGLA-CJNGLKHVSA-N 375.477 -0.398 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@H]2CCCN2C(=O)CC(=O)NCc2cnn[nH]2)c1 1577712283 HOWCQDCFTHMKGS-CYBMUJFWSA-N 384.400 -0.568 30 20 GBED Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c1C#N 1581681335 IIKLDABCDGXWEB-VXGBXAGGSA-N 385.413 -0.189 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(CC(=O)O)CC1 1589132591 YJXSWRPYTJROLT-GFCCVEGCSA-N 394.453 -0.110 30 20 GBED N#CCSCC(=O)NC[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCCO1 1592679544 UOEUXEXMICEKKT-LLVKDONJSA-N 389.445 -0.375 30 20 GBED O=C(CC#Cc1ccccc1)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@@H]1O 1592803184 QGXLWBNGPONKQM-CVEARBPZSA-N 390.407 -0.236 30 20 GBED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 1594248023 UUABFAHNVQIFSI-ZDUSSCGKSA-N 381.410 -0.081 30 20 GBED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@](O)(C(=O)O)C1 1601268363 AQEBLIQXVZQLQQ-INIZCTEOSA-N 381.410 -0.447 30 20 GBED C=CCC1(C(=O)NC[C@@H](O)CN=c2cc[nH]c(-c3nn[nH]n3)n2)CCOCC1 1602817906 UFCKBIQGBWHRQQ-LBPRGKRZSA-N 388.432 -0.660 30 20 GBED N#C[C@@]12CN(CC(=O)Nc3cccc(-c4nn[nH]n4)c3)C[C@H]1CS(=O)(=O)C2 1606354305 DXAXQMZIIABJQB-LRDDRELGSA-N 387.425 -0.325 30 20 GBED COCCN(C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1771076671 OMDVTBTVTISLRF-CABCVRRESA-N 391.476 -0.074 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccn4cncc4c3)C2)C1 1778658060 HVOLKBWOFFYWON-IBGZPJMESA-N 382.376 -0.134 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c1 1780329780 BPRSVYLKPDQDMF-IFXJQAMLSA-N 385.424 -0.144 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)cc1 1780697462 GEHPJGOIZCCPCF-IBGZPJMESA-N 381.392 -0.122 30 20 GBED CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)CCC#N)CCO4)C3)CC2)CC1 1781107777 ZBFPIEKRPOHJTO-IBGZPJMESA-N 389.500 -0.100 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1781391390 UIFBDKPWRKLUFJ-APWZRJJASA-N 396.488 -0.051 30 20 GBED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1783898575 QYDKYVUIPZDIEE-QFYYESIMSA-N 379.442 -0.663 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)C2 1793340525 KIGNJBZPZYDTJY-CQUYNDQOSA-N 392.374 -0.072 30 20 GBED CN(C)c1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)o1 1794603140 WLOMLBKEFNFSTH-QHBPRCKVSA-N 376.369 -0.968 30 20 GBED N=C(N)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2 1795981869 QEBXZZDDGBRCIM-ITHCIZQCSA-N 380.449 -0.363 30 20 GBED Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)cn2[nH]cnc(=O)c12 1798464107 ORURPXUEHQBBME-YWVIFJGQSA-N 398.423 -0.162 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(CO)on2)C3)c1 1798694187 MEZIWCKULNWQMJ-DRXBFXEBSA-N 385.380 -0.116 30 20 GBED Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)ccc1F 1800773642 QDZJXVBFHXFNGX-DPIQGUFMSA-N 375.356 -0.180 30 20 GBED Cn1ncnc1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1805281717 BGEPGECPOYAKKH-CJNGLKHVSA-N 382.380 -0.382 30 20 GBED CC[C@H](NC(N)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1817996023 DIROYVMZRZDMQO-JQWIXIFHSA-N 390.400 -0.063 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1 1831392006 HQDMUNYZEKBEOR-KBXCAEBGSA-N 376.413 -0.482 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)CC1 1835342806 QVAWCRIAHHPNMZ-UGSOOPFHSA-N 376.413 -0.975 30 20 GBED CCNC(=S)NCC(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835362697 RTGCGQNYXYEXBT-QGZVFWFLSA-N 397.501 -0.769 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1840159254 ZSJKGNHNNUCFFL-SJKOYZFVSA-N 397.453 -0.526 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1840161938 GRXKZBDZJIWXKA-MEDUHNTESA-N 385.442 -0.445 30 20 GBED N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)Cn3cnnn3)C4)c2c1 1845581668 PXQKGLOIROKADP-UHFFFAOYSA-N 391.395 -0.062 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@H](C)n2cnnn2)C1 1846647077 BTBJHJWFLRELDU-ZDUSSCGKSA-N 376.417 -0.053 30 20 GBED C#CCNC(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 19027345 ULMCWONZSAEGGU-UHFFFAOYSA-N 382.394 -0.581 30 20 GBED CC/N=C(/NCc1noc(C)n1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261782591 PLMSUIORJRNGAO-UHFFFAOYSA-N 397.461 -0.021 30 20 GBED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cccc(-n2cnnn2)c1 264107174 IPVHCADVDRRTCD-UHFFFAOYSA-N 391.457 -0.101 30 20 GBED C[C@H](O)CN1CCN(/C(O)=N/CCS(=O)(=O)N2CCSCC2)[C@@H](C)C1 329458520 RDOGVNVCVYJTFW-KBPBESRZSA-N 394.563 -0.334 30 20 GBED CS(=O)(=O)N1CCN(S(=O)(=O)NC/C(O)=N/C2CCCCC2)CC1 330168568 WIQNFSFOEMCREO-UHFFFAOYSA-N 382.508 -0.313 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCCO[C@@H](CF)C1 349473725 ZHWZUIUHXNKEKE-OLZOCXBDSA-N 385.483 -0.060 30 20 GBED CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 349476200 ZIJUIPCIAIZOPJ-WDEREUQCSA-N 375.428 -0.819 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](CO)C2)c1C#N 349519125 HYYVDUDLYWASJR-LLVKDONJSA-N 391.475 -0.634 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nn(C)cc2C#N)C[C@H]1O 349523783 MLPYONMDFDCZBB-CMPLNLGQSA-N 391.475 -0.934 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)CC[C@@H]2C1 349528693 YDQXMODOPKOGND-CHWSQXEVSA-N 392.503 -0.813 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC[C@@]34CCOC4)CC2)o1 366901685 VJKJWGZROGPBOY-SFHVURJKSA-N 375.429 -0.005 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409483146 IGOVHNNDFMGNKJ-BYNSBNAKSA-N 396.469 -0.510 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CCN)CC1 419702204 AWPCRSFQWGADEK-QGZVFWFLSA-N 393.532 -0.011 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1 444500771 YSNUEZKSCQWYGN-UHFFFAOYSA-N 378.396 0.351 30 20 GBED CN1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 498849765 LBPFDYCYYUZJDW-CVEARBPZSA-N 397.435 -0.488 30 20 GBED C=CC[C@@H](CO)NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 543081756 KHUHZXOQQKIYAL-AWEZNQCLSA-N 376.479 -0.736 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)C1=O 553350452 QOMNENAPNAWGSM-VHSXEESVSA-N 377.319 -0.018 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CC(CC(N)=O)C2)c1 563430716 BQHDPCLOGKTTMM-JTQLQIEISA-N 386.455 -0.627 30 20 GBED CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 565229811 OEGPFYPEFIHLBJ-GWCFXTLKSA-N 393.512 -0.121 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)c1 651815781 MGYGYRJAHYRZBN-CYBMUJFWSA-N 387.483 -0.085 30 20 GBED COc1cccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)c1 729673381 MOKPPVJYOMCTSH-UHFFFAOYSA-N 389.458 -0.010 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CN(CCOC)C(=O)OC(C)(C)C)CC1 733955212 MRLDVDXCHIKPKF-UHFFFAOYSA-N 396.488 -0.237 30 20 GBED C#CCNC(=O)CN1CCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 735381964 UAUKFJQCZBFXBE-UHFFFAOYSA-N 396.455 -0.438 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(=O)O)s2)CC1 736078992 FDGKHUFZWICBLL-UHFFFAOYSA-N 385.467 -0.108 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)OCCn2cc(C(=O)OC)nn2)c1 774596108 PAAGSIYBPFDKHQ-UHFFFAOYSA-N 392.393 -0.167 30 20 GBED CN(C(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(C)(C)C#N 786360762 HNDGDZSOBQPFLD-FKGLVLAHSA-N 377.397 -0.157 30 20 GBED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)NCC#N 804821515 QBMRKRFWGGJZKK-ZDUSSCGKSA-N 391.453 -0.104 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC 823932206 SDDITQNLARCMPO-UHFFFAOYSA-N 394.413 -0.469 30 20 GBED N#C[C@H]1CNC[C@H]1NC(=O)CNS(=O)(=O)c1cccc(Br)c1 843461677 WCWQYEHXNWZLAO-JOYOIKCWSA-N 387.259 -0.045 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CC1 892498713 JSHFRRALKZQHIL-LBPRGKRZSA-N 397.423 -0.582 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cnn(CC3CCC3)c2)c1=O 901848859 FOIRPIQIYFZOIN-UHFFFAOYSA-N 381.461 -0.211 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1OC 946822143 HFRUJBXAKPYODH-LUYZLQTOSA-N 375.425 -0.068 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)C3CN(C(C)=O)C3)C[C@@H]21 960457466 JIKZZAUCTLRFIV-VSZNYVQBSA-N 391.468 -0.116 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)CN3CCOCC3)C[C@@H]21 960459352 WVFHLESPSMYIOJ-VSZNYVQBSA-N 393.484 -0.262 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)c(OC)c[nH]2)C[C@@H]1O 964615072 FDPJQZNYMSIKGK-OYNZBZHQSA-N 391.424 -0.334 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ncn(C(C)(C)C)n2)C1 970633908 KENSZRRSAFFKEE-MQYQWHSLSA-N 377.445 -0.074 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccnnc2)C1 990972612 VUYCDEAUBLKEAP-WCVJEAGWSA-N 383.412 -0.159 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CCn3ncn(C)c3=O)C[C@H]21 1022750759 PSWVMGOATFQMSQ-JJXSEGSLSA-N 389.456 -0.378 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc(C3CC3)nn2)C1 1024151696 XUVHBTGOSIDJDY-DZUCGIPZSA-N 389.456 -0.175 30 20 GBED Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccncc2C#N)c(=O)n(C)c1=O 1055387983 YFQTZWAIBCWPCL-XPKDYRNWSA-N 380.408 -0.110 30 20 GBED CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccccc1 1109563349 QZRBANMWYKSXDD-IKGGRYGDSA-N 376.482 -0.187 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cccn2c(O)nnc12 1109972176 ZSABYFLRNYWBID-UXOAXIEHSA-N 382.424 -0.092 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 1116617107 ILPWCUXMXAPJGI-CYBMUJFWSA-N 397.453 -0.037 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N(CCO)Cc1ccccc1 1117359605 MXWGJQWCNCYRJD-MSUUIHNZSA-N 386.408 -0.350 30 20 GBED CC(C)N1CCN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 1117970572 YYSLZVYVBTUSFO-HNNXBMFYSA-N 385.472 -0.062 30 20 GBED C#CCN1CCC(c2nnc(N3CCO[C@H](C(N)=O)C3)n2CCOC)CC1 1122341559 PNNJFBYSMBVPCM-HNNXBMFYSA-N 376.461 -0.572 30 20 GBED C#CCN1CCN(c2nnc([C@@H]3SCCNC3=O)n2C[C@H]2CCOC2)CC1 1123049314 HBVCBNNAOUQRAQ-CABCVRRESA-N 390.513 -0.026 30 20 GBED C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1188604343 XEFNQBWXEAVOFB-JJXSEGSLSA-N 376.457 -0.918 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)Cn1cnc2c(c(S(C)(=O)=O)nn2C)c1=O 1320904557 DRZHIIORPQTCKH-OAHLLOKOSA-N 380.430 -0.412 30 20 GBED N#CC1CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 1322798411 PEDIZWIAAGSYNF-UHFFFAOYSA-N 399.455 -0.606 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCN3CCCOCC3)n2)cc1 1324315778 AXNZETQBSNNXMU-UHFFFAOYSA-N 397.439 -0.025 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1328163468 BBDCDAXKVLVYJW-GJZGRUSLSA-N 393.421 -0.924 30 20 GBED C=C(C)COCCNC(=O)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 1328907481 HKOBECOMEGOWJE-UHFFFAOYSA-N 382.505 -0.392 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N[C@H]1CCc2cc(C#N)ccc21 1330521753 OIIVTKWUCNMMJN-SOUVJXGZSA-N 377.422 -0.410 30 20 GBED CC#CCN(C)C(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1330995060 XRARZUNSQXKCNW-UHFFFAOYSA-N 388.449 -0.239 30 20 GBED CNC(=O)c1cccc(CCNC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 1336137690 BPMAYXMDLRILOF-QGZVFWFLSA-N 383.452 -0.096 30 20 GBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C1 1338612264 KVYAIZMJZQQQMV-KGLIPLIRSA-N 375.381 -0.435 30 20 GBED C=CCn1c(C2=NO[C@H](CO)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1339026308 PZNNKXXPFSXLTB-ZDUSSCGKSA-N 377.449 -0.840 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1573285398 HEHMQZMTNUUNRF-IHRRRGAJSA-N 381.444 -0.517 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[nH]n2)nc1 1573309584 LDRZKSJHNDLDBW-DYVFJYSZSA-N 375.433 -0.156 30 20 GBED C=CCNC(=O)[C@H](C)N1CC[C@H](NC(=O)C2CCN(Cc3cnn[nH]3)CC2)C1 1575104948 XZCFOLZHUSLLIT-HOCLYGCPSA-N 389.504 -0.102 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC(NC(=O)CCCCc2cnn[nH]2)C1 1575108088 GFRKVFQCQFMECV-GFCCVEGCSA-N 377.449 -0.282 30 20 GBED C[C@@]1(CNC(=O)C#CC2CC2)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1575770184 UPONFLPEEGGWAL-GOSISDBHSA-N 383.412 -0.045 30 20 GBED N#CCNC(=O)CN1CC[C@@]2(CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 1581858226 WDRNOHYQWGTWDG-QGZVFWFLSA-N 383.416 -0.627 30 20 GBED C[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H]1CNCC(=O)NCC#N 1590261358 OUMSWINWVJUQGQ-SMDDNHRTSA-N 385.432 -0.335 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)c1nc(C)cc(-c2nn[nH]n2)n1 1602794153 JFWZHJFNZWYPLO-SJKOYZFVSA-N 390.448 -0.452 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 1604274796 VBKSIHXHWZBXPM-NSHDSACASA-N 379.450 -0.010 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COCc2cccnc2)C[C@@H]1O 1757212602 OQAZXWUQWIAKCV-NCOADZHNSA-N 375.425 -0.123 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784388589 YWRAZMYVGCJAAM-GUYCJALGSA-N 393.469 -0.235 30 20 GBED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 1789093863 ADWWHTCQCKHMSC-KKUMJFAQSA-N 399.451 -0.028 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc[n+]([O-])cc3)[C@H]2C1 1789094566 WTLGHEGBDJUERO-UBDQQSCGSA-N 387.436 -0.048 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCNC(=O)C3)[C@H]2C1 1791343056 NHDWVBJVPJOIDK-NRKLIOEPSA-N 391.468 -0.469 30 20 GBED C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CC(=O)NC1=O)C2 1793579034 FGAZTAXCIXYVOQ-YIYPIFLZSA-N 378.429 -0.233 30 20 GBED N=C(N)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1(O)CCCCC1 1798468173 QZNPNBHUFQGDAC-QDMKHBRRSA-N 375.473 -0.194 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)NC(C)=O)C3)C2)C1 1829673143 FWSYHUYJKPSOAB-AUUYWEPGSA-N 379.457 -0.066 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1 1831435274 OLHMUUBAYUHQTO-MAUKXSAKSA-N 386.445 -0.957 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1832420220 QISFDKSNPNAMRU-IBGZPJMESA-N 392.456 -0.241 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833271185 ZMXSFGXGVVNHIM-IBGZPJMESA-N 388.424 -0.060 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc[nH]3)CCO2)C1 1834097916 UPVGLKUALDSZNF-KSSFIOAISA-N 376.413 -0.482 30 20 GBED C#CC(=O)N1CCC(OC2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1836996246 YUBMADVZMIPWDY-UHFFFAOYSA-N 387.436 -0.067 30 20 GBED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)CNC(=N)N)CC3)CC2)CC1 1837790794 KFWLEVDWRYNXNM-UHFFFAOYSA-N 376.461 -0.228 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1840044214 QIMLGTUNTDPFHU-BKEDOTJMSA-N 392.408 -0.902 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1840840185 DGKVKTSZOPBFGV-IBGZPJMESA-N 390.440 -0.536 30 20 GBED CCS(=O)(=O)CC(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1841585177 YEHXOGKSWAGLCE-UHFFFAOYSA-N 384.502 -0.094 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)c1cccs1 1848221842 CLGXNWWJCVLGBK-RYUDHWBXSA-N 375.406 -0.232 30 20 GBED C=CCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 48619035 UBLQSLRICNIUCS-UHFFFAOYSA-N 383.426 -0.043 30 20 GBED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCCC#N)c2)CC1 273104531 LPTKWIOOIJATKZ-UHFFFAOYSA-N 393.469 -0.019 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cc(C(N)=O)ccc1F 275746686 ZPUUFLIFTUHBEJ-UHFFFAOYSA-N 391.403 -0.062 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 286333131 AQUBYQGRGZSHCM-QGZVFWFLSA-N 391.516 -0.482 30 20 GBED N#Cc1ncn(CCNC(=O)NCCCN2CCN(c3ncccn3)CC2)n1 286363522 CADQZLODEGMHHW-UHFFFAOYSA-N 384.448 -0.549 30 20 GBED C=CCS(=O)(=O)CCNC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1 290719689 NDLBFBUJTWXQDS-UHFFFAOYSA-N 388.467 -0.116 30 20 GBED N#Cc1ccc(CNC(=O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 298466609 NWLMBBJMRVYKSN-UHFFFAOYSA-N 399.451 -0.823 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)c1 299556186 RKTCZSUCRXBWEV-AWEZNQCLSA-N 375.406 -0.382 30 20 GBED N#CCC1(O)CN(S(=O)(=O)CCCS(=O)(=O)Nc2nccs2)C1 349462751 UBKJHHABFSULNL-UHFFFAOYSA-N 380.473 -0.435 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](O)C1 349527399 VXBYAHGMHPVQEL-VXGBXAGGSA-N 383.517 -0.956 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnnc2O)CC1 435818585 NHJWGAVLAKGSST-UHFFFAOYSA-N 376.398 -0.612 30 20 GBED C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508911343 AGIWGEUYTYAXOL-UHFFFAOYSA-N 383.420 -0.800 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O 510493992 XPDFORSJRYMUOK-SWLSCSKDSA-N 387.462 -0.454 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H](C)S(N)(=O)=O 543816314 FLOSRTOPOZIVEN-LBPRGKRZSA-N 382.442 -0.674 30 20 GBED COC(=O)C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 558543677 NFGYZXANPCWMAB-CYBMUJFWSA-N 381.410 -0.373 30 20 GBED CNC(=O)CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 568244750 WSNQTVPBFJMKNI-UHFFFAOYSA-N 388.471 -0.413 30 20 GBED COC[C@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 570866618 MQNVSKPDUOMYDP-WDEREUQCSA-N 377.444 -0.837 30 20 GBED C[C@H](N)[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 591366054 SHZIEDQYXMKURU-IAOVAPTHSA-N 399.451 -0.256 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)C1=O 593743328 ANIPTFWBLHWMCA-RRFJBIMHSA-N 377.441 -0.111 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCOC2)s1 594637598 AZMWTLRNUGEODT-SNVBAGLBSA-N 394.500 0.102 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 602255178 BCEHGBDZJJBONG-INIZCTEOSA-N 375.473 -0.048 30 20 GBED COC(=O)c1cc(C(=O)NCC#CCNC(=O)c2cc(C(=O)OC)no2)on1 614022094 PKVBSCJCIGEAAH-UHFFFAOYSA-N 390.308 -0.601 30 20 GBED C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cn1 728860471 SZSNSKUQVZFNKY-OAHLLOKOSA-N 397.478 -0.662 30 20 GBED CNC(=O)CNC(=S)NN=C1C(=O)Nc2cc(N3CCOCC3)ccc21 731927096 MOGISCKSCHIKEG-UHFFFAOYSA-N 376.442 -0.611 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2cc(Cl)cc(F)c2O)c(=O)n(C)c1=O 768367453 RIHWBUDNGCXUFW-UHFFFAOYSA-N 390.780 -0.106 30 20 GBED Cn1cc(-c2noc(C/N=C3/NS(=O)(=O)c4ccccc43)n2)c(O)nc1=O 771187625 ACKMRSUDGQFHRE-UHFFFAOYSA-N 388.365 -0.225 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1 784970038 HKOBPNRWANTZGY-HNNXBMFYSA-N 393.415 -0.072 30 20 GBED C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1CCC(=O)N(C)CCC#N 824999802 KDWPKGZDJVNZGK-CYBMUJFWSA-N 384.448 -0.071 30 20 GBED C[C@H](CC(=O)N1CCN(C)C[C@H]1CN)/N=C1/NS(=O)(=O)c2ccccc21 834299542 VDHCFENQQNGLNW-CHWSQXEVSA-N 379.486 -0.395 30 20 GBED CCONC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 848942794 YCTGDNBEFBLZFL-JTQLQIEISA-N 390.443 -0.777 30 20 GBED C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)N=c1ccnc2n(C)[nH]cc1-2 848961430 WULIKASVKXVTNQ-LBPRGKRZSA-N 399.498 -0.243 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC2CC2)c(=O)n1CCOC 853446648 MRHTXDGPPASRBZ-UHFFFAOYSA-N 387.465 -0.588 30 20 GBED COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)C(=O)Nc1cnn(CC#N)c1 862040406 IQKXISSCKKTNJZ-PWSUYJOCSA-N 377.357 -0.702 30 20 GBED C#CC1(O)CN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 890519889 RAPOBFXUHGNDPY-UHFFFAOYSA-N 380.422 -0.464 30 20 GBED Cn1c(=O)ccn(CC(=O)[C@H](C#N)c2nc(N)nc(Nc3ccccc3)n2)c1=O 916880399 MGDZOROWPYHCSE-LBPRGKRZSA-N 392.379 -0.066 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 973021375 OBGKPCFCFVQGGR-FPCVCCKLSA-N 389.456 -0.378 30 20 GBED C=CCCn1cc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@H]3C2)nn1 986178963 JYKOTLCLHKBPJH-BARDWOONSA-N 386.456 -0.104 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C 993624436 BREXBHZNSSNFSA-BHPKHCPMSA-N 375.429 -0.703 30 20 GBED C=CCn1cc(C(=O)NC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C)nn1 994025647 KMERRYPUFJRCHC-RJZRQDKASA-N 390.444 -0.679 30 20 GBED C=CCN1CC[C@H](N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2CC(=O)NC2=O)C1=O 1096187188 DRQADVMRFIVIAR-RFGFWPKPSA-N 375.429 -0.953 30 20 GBED C=CCNC(=O)CN1CCO[C@@](C)(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1108094692 YLRRPODLZWONOW-BVYOLEPJSA-N 381.473 -0.453 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCc1nnc(O)nc1O 1110761128 JDIUFVRRCGUOIB-RTXFEEFZSA-N 376.417 -0.761 30 20 GBED Cc1nnc(COCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)s1 1110773064 ZHWJJCVYYJIFOV-UPJWGTAASA-N 378.458 -0.276 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CC[C@H](OCCN2CCOCC2)C1 1116492680 PWCANYNUJVQBPU-IJYGLTAASA-N 392.456 -0.147 30 20 GBED Cc1nsc(N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1C#N 1117627267 ZUZDOWRJPUHXHY-LBPRGKRZSA-N 383.499 -0.252 30 20 GBED C[C@H](CC(=O)N(C)Cc1nc(=O)o[nH]1)/N=C1/NS(=O)(=O)c2ccccc21 1299929450 PZSSBSGRNHRNCI-SECBINFHSA-N 379.398 -0.161 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCS(=O)(=O)C1 1320859105 BYOSBHYEZVOOBL-WCQYABFASA-N 385.467 -0.224 30 20 GBED C#CCCCCNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 1321703945 ZXFBMIOAORCSPZ-UHFFFAOYSA-N 384.436 -0.206 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H]1CCN(C)[C@H](C)C1 1324563137 NPEXTTOPXFZESC-ILXRZTDVSA-N 385.472 -0.016 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 1325567262 LOEBDJULKPJCPK-AWEZNQCLSA-N 383.445 -0.105 30 20 GBED CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC2CCN(CC#N)CC2)c1 1328662914 OQCBBSMUZFHIEL-UHFFFAOYSA-N 393.469 -0.685 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccc(C)s2)CC1 1330916184 NVVWMTVAWHSIAH-UHFFFAOYSA-N 384.483 -0.602 30 20 GBED CCN(CC)[C@@H]1CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1342098968 OTBPVKJELDYUMW-UWZWCOGJSA-N 377.445 -0.428 30 20 GBED CN(CCS(N)(=O)=O)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1460721672 XJHPNQPXBOGCNN-ZDUSSCGKSA-N 385.515 -0.323 30 20 GBED C#Cc1cncc(C(=O)N2C[C@H](NCC(=O)NCc3cnn[nH]3)C(C)(C)C2)c1 1575032774 LVILVZBTPKTKRR-INIZCTEOSA-N 381.440 -0.062 30 20 GBED N#Cc1ccnc(N2CCN(S(=O)(=O)NCc3cnn[nH]3)CC2)c1[N+](=O)[O-] 1577717875 RKAZGSBBWVLUSK-UHFFFAOYSA-N 393.389 -0.864 30 20 GBED N#CCSCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 1581858473 HURWYFOLPAXAKL-PWSUYJOCSA-N 390.429 -0.857 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@@H]2O)nn1 1588713692 PYGQHECDZMTYHM-RISCZKNCSA-N 382.388 -0.981 30 20 GBED N#CCNC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 1592678129 PWMJRGBURKVWMT-MPKXVKKWSA-N 383.416 -0.583 30 20 GBED N#C[C@@]12CN(C(=O)N[C@H]3CCOC4(CC(C(=O)O)C4)C3)C[C@H]1CS(=O)(=O)C2 1601080039 ZFADYWXBBJXDMV-YWQJWBKLSA-N 397.453 -0.021 30 20 GBED C#Cc1cccc(NC(=O)CN(C)c2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)c1 1602741616 QWCLXGXEWHQKBJ-UHFFFAOYSA-N 380.368 -0.690 30 20 GBED N#CCSCC(=O)NC[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCCO1 1606350872 GDNQUMJFSNOKFQ-LLVKDONJSA-N 389.445 -0.375 30 20 GBED O=C(O)CC1CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1608697072 KABUCOZMRZODGO-CCEZHUSRSA-N 378.385 -0.658 30 20 GBED N=C(N)NCC(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779137202 IQWKWHVMTILUGT-UZHQLRPZSA-N 376.417 -0.989 30 20 GBED CN(CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1)C(=O)C(=O)O 1783683602 HQAYOWMEFMCBEK-AVGNSLFASA-N 394.428 -0.941 30 20 GBED Cc1cc(C(=O)NCC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)S)C3)C2)no1 1783893635 OVARLLBGJPVFFJ-PXAZEXFGSA-N 396.469 -0.139 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)OC)[C@H]2C1 1786422179 QHLIJPMXTMMUCZ-UGUYLWEFSA-N 380.441 -0.042 30 20 GBED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=N)N)[C@H]3C2)c1 1786808240 HQXGVZUGZAETQQ-XIRDDKMYSA-N 398.467 -0.057 30 20 GBED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 1791262052 AMNSUMSMECLJMH-RHYQMDGZSA-N 393.469 -0.513 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOCC)C2 1792491367 QFNFUQLUPOSILY-XOGJXXCJSA-N 379.457 -0.139 30 20 GBED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NNC(=O)C2)C3)cc1 1792558304 SHBDKMHDIDHCFG-CCWDJLKJSA-N 395.419 -0.434 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nncn3c1)C2 1793344743 SNDQSPWKKSVWIR-NYCLONFESA-N 397.435 -0.029 30 20 GBED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1793351723 HDTICKRPALSQOP-IWSXDTNSSA-N 381.473 -0.718 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCCS2(=O)=O)CC1 1800391756 FQSYXPCWPYRVJA-XJFOESAGSA-N 381.454 -0.543 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)Cn2cncn2)[C@@H]1c1cccnc1 1807604274 IGJPLSNJCGQSCA-KDOFPFPSSA-N 382.380 -0.533 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812879588 CCTRZDDGKFLLHB-FRIZHTMISA-N 398.419 -0.134 30 20 GBED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1831407225 TXHWNKGGOFCMSR-PXNSSMCTSA-N 393.484 -0.046 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1831421342 IIHXAVHEZLGEAX-KSSFIOAISA-N 393.444 -0.524 30 20 GBED N#CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831488995 POSKNBMVMGMKHG-QGZVFWFLSA-N 380.489 -0.194 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1832452187 SUGBSEZGQDXKDE-INIZCTEOSA-N 396.473 -0.951 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1832460876 IGRBVIFLNHRETA-KRWDZBQOSA-N 385.486 -0.373 30 20 GBED COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342777 PMOOXGKPCIDYLY-GOSISDBHSA-N 381.429 -0.590 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1839807470 BTZFUTAHIKAWNT-KRWDZBQOSA-N 376.438 -0.342 30 20 GBED C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840020015 KIYAJRWZFBEWKR-YWZLYKJASA-N 387.436 -0.062 30 20 GBED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)S)CCO2)C1 1840160477 ICDRXXZLAXGJTJ-XNJGSVPQSA-N 387.502 -0.372 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1840161936 GRXKZBDZJIWXKA-BDJLRTHQSA-N 385.442 -0.445 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1841054597 UTZPQTAYBBSZJJ-PLNGDYQASA-N 388.384 -0.007 30 20 GBED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1846368339 XELIOWJQYVVLGA-GFCCVEGCSA-N 375.516 -0.066 30 20 GBED Cc1cn(CC(=O)N2CCCC23CN(C(=O)c2cc(C#N)c[nH]2)C3)c(=O)nc1O 1846969854 LLHWLHXANCRZQN-UHFFFAOYSA-N 396.407 -0.026 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)C1=O 265947272 XMZDPQKWQKNHJL-RYUDHWBXSA-N 385.442 -0.223 30 20 GBED COCCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(C#N)cc1 266152054 LCKXYKSSCWQOQC-UHFFFAOYSA-N 396.407 -0.015 30 20 GBED N#Cc1cc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)ccc1Cl 275964103 TXOLIUDGKJYAMB-NSHDSACASA-N 375.772 -0.681 30 20 GBED COCCN1CCN(/C(O)=N/CCS(=O)(=O)N2CCSCC2)CC1 328640473 CQEYSCPZTUIZLO-UHFFFAOYSA-N 380.536 -0.457 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](c2nccn2C)C1 349466931 RPXJCPDUFDLKKM-CYBMUJFWSA-N 389.503 -0.286 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)N[C@]2(C#N)CC2(C)C)CC1=O 349491948 JXKKZYRPRKBXKJ-AWEZNQCLSA-N 392.503 -0.908 30 20 GBED C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 364107945 IQNIFLGGGIWANT-GFCCVEGCSA-N 397.395 -0.871 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 451923440 MWSUNWIHXHYREK-GXTWGEPZSA-N 395.551 -0.133 30 20 GBED C=CC[C@H](CO)CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 540418326 QTRXOSFNUGQXSW-ZDUSSCGKSA-N 381.454 -0.279 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3nnc4n3CCCC4)CC2)nc1 560255874 CTZBKZWKYYGTLV-UHFFFAOYSA-N 394.439 -0.154 30 20 GBED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(c2cnccc2C#N)CC1 578593680 GWKRRHXBCXWVMP-LBPRGKRZSA-N 397.439 -0.674 30 20 GBED CN1CCN(CCCCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 589302844 XEWZUEOGZSTWEX-UHFFFAOYSA-N 393.513 -0.020 30 20 GBED C=C[C@H](CO)NCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 595863400 FQOPCDPPYYGQRN-CYBMUJFWSA-N 398.441 -0.436 30 20 GBED Cc1cc(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)nn1CCC#N 611481732 RXJVFPGXTQBVGH-UHFFFAOYSA-N 383.478 -0.196 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)NCCOc2ccc(F)cc2)CC1 728570608 HLQIJSFNCLCQLU-UHFFFAOYSA-N 376.432 -0.312 30 20 GBED COCCN1C(=O)c2ccc(C(=O)N3CCO[C@@H](C#N)C3)cc2S1(=O)=O 729979154 AHHVYGZWTNLYSX-LBPRGKRZSA-N 379.394 -0.158 30 20 GBED C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2cnn(CC(=O)OC)c2)c1 742285672 WTZBBKMTPKOJHA-UHFFFAOYSA-N 390.421 -0.021 30 20 GBED CS(=O)(=O)NCC(=NNC(=S)NCCN1CCOCC1)c1ccccc1 766682757 NTCVWAVHQMLBPD-UHFFFAOYSA-N 399.542 -0.264 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(C(=O)NCCO)CC2)CC1 774577979 QNMNLAAFLPECLB-QGZVFWFLSA-N 379.505 -0.501 30 20 GBED CN1CCN(CCNC(=O)C(=O)NCCNc2ncccc2C#N)CC1(C)C 787786857 DLVZJYVMEPDPLS-UHFFFAOYSA-N 387.488 -0.376 30 20 GBED C[C@@H](OC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)N(C)CCC#N 789112194 HKQDAJNDPDUQRV-PXAZEXFGSA-N 394.428 -0.094 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 799287055 MZTUTRRKBHJTLD-ZDUSSCGKSA-N 379.438 -0.626 30 20 GBED C=CCC1(S(=O)(=O)NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)CC1 810986438 ZOFIFWQTRFWVRL-UHFFFAOYSA-N 380.426 -0.256 30 20 GBED C=C[C@H](O)C(=O)OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 814548318 SMVXVDLCLLZIIS-BBRMVZONSA-N 390.392 -0.413 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(C)c1-c1nn[nH]n1 823932020 KODCIVCRPJNNKE-UHFFFAOYSA-N 378.414 -0.169 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](C(=O)O)Oc2ccccc21 833378342 MDZRBCQYJIPZBR-ZDUSSCGKSA-N 382.394 -0.418 30 20 GBED C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 839335496 YEXLGKHOCGKDKH-HNNXBMFYSA-N 383.452 -0.108 30 20 GBED N#CCCN(CCC#N)C(=O)COC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 845927494 WIHQPFVGRHCIHA-PYTWLRIVSA-N 384.392 -0.007 30 20 GBED CCn1nc(C)c(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)n1 848943555 LWAYXZIVGDLCQB-UHFFFAOYSA-N 398.470 -0.113 30 20 GBED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC3CC3)c2=O)cn1 853473596 JEWXPYVBZVDMOT-UHFFFAOYSA-N 399.476 -0.585 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)COC3)CC1 872515473 NXMICDLHIBETPY-UHFFFAOYSA-N 385.467 -0.509 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CCO2)C1 965493489 KDVLZEYQINELEC-QXSJWSMHSA-N 391.468 -0.081 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1 967224170 WXUDSZBRZDXVMT-RANZSIQMSA-N 393.484 -0.264 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)[C@@H]1C 988279322 UFLBEERQYPMFNT-DYWXZXKOSA-N 391.472 -0.023 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCS(=O)(=O)N2)c1 996006814 LCBUGNWNYHDYTH-NMKXLXIOSA-N 377.426 -0.560 30 20 GBED C#CCOCCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1055945932 NSMFGARVXICBEB-PDEVXQQTSA-N 376.453 -0.081 30 20 GBED C=CCNC(=O)NC(=O)CN1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1196575334 WSRSDRJVYHZMAN-NMNMXBMNSA-N 376.457 -0.044 30 20 GBED COC(=O)[C@@H]1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C(=O)OC)C1 1319951477 WYCFYLRWFNMPFL-MRMLTLRBSA-N 393.396 -0.144 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)nn1 1326250668 OTOCGMGZFMOVPD-RDJZCZTQSA-N 389.504 -0.435 30 20 GBED CCONC(=O)CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1326702146 KPBCCKFMJZIFEW-UHFFFAOYSA-N 375.429 -0.368 30 20 GBED C#CCN(CC#CC)c1nnc(Cn2cc(CCO)nn2)n1C[C@H]1CCOC1 1344235567 WMCGWCHZMQWODO-MRXNPFEDSA-N 383.456 -0.048 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CC1 1345473574 FIKPUBDHVCSQQA-ZDUSSCGKSA-N 388.390 -0.273 30 20 GBED C[C@H]1CN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)C[C@H](CO)O1 1348325343 VTKRLYAMYCNISE-UONOGXRCSA-N 390.415 -0.046 30 20 GBED C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN)[C@H]1CCS(=O)(=O)C1 1574673230 JROFZXQGTAFIEE-KKUMJFAQSA-N 397.501 -0.413 30 20 GBED C=CCn1cc(C(=O)N[C@H]2CCCN([C@@H](C)C(=O)NCc3cnn[nH]3)C2)nn1 1575112158 PWXBHEIOHFTYMW-STQMWFEESA-N 387.448 -0.519 30 20 GBED N#Cc1cc(C(=O)NCC2[C@H]3CN(c4nccnc4-c4nn[nH]n4)C[C@H]23)c[nH]1 1581865210 FRTYDDLDZAUHKW-CHWSQXEVSA-N 376.384 -0.031 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(c3cc(C)ncc3-c3nn[nH]n3)C[C@@H]2O)c1 1588379219 CEWZJFDWZAZEDP-WBVHZDCISA-N 390.407 -0.074 30 20 GBED CC(C)(C)C#CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O 1589067926 IPWJGPXZBMAIPB-TZMCWYRMSA-N 385.428 -0.064 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[nH]n3)n2)C1 1602726848 UAIPNOUTRWKCRM-SJKOYZFVSA-N 386.416 -0.540 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](C(=O)O)C2(CC(C(=O)OC)C2)C1 1602728985 UMOPEOJCWFKPOI-BGMSHATGSA-N 388.442 -0.117 30 20 GBED C=CCC1(O)CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 1602818266 JXKHYUMFYGEFFC-NSHDSACASA-N 392.441 -0.317 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)NCCN(C)c1cnc(-c2nn[nH]n2)cn1 1602864239 ZDXFWMSFQSAGLR-UHFFFAOYSA-N 388.436 -0.527 30 20 GBED C=CCn1cc(C(=O)NC[C@H](CO)Nc2ncc(-c3nn[nH]n3)cc2F)nn1 1602882313 HSTVAPAPSATVPM-SNVBAGLBSA-N 388.367 -0.619 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1602885936 LCGDHVTZQZGIFS-ZZVYKPCYSA-N 387.400 -0.913 30 20 GBED C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCN([C@]3(C(=O)O)CCOC3)CC2)C1 1602906897 QZKKSHGJBFMOAO-RDTXWAMCSA-N 381.429 -0.822 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 1609077462 KXEQNNFYYPOAQS-UWVGGRQHSA-N 388.392 -0.667 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CC(NS(C)(=O)=O)C2)C1 1679945196 UWEBFJAEMXQAGZ-CMPLNLGQSA-N 387.462 -0.312 30 20 GBED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)C2 1782181564 UFYCHZWSPUXANC-SFDCBXKLSA-N 386.518 -0.589 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3CN1)CCO2 1783562745 QUPKVAIHTRSEIE-LAUBAEHRSA-N 397.431 -0.381 30 20 GBED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(=O)n4O)C[C@@H]32)CC1 1786693981 AWUZFBMKMSHOCR-YDHLFZDLSA-N 386.408 -0.017 30 20 GBED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786704561 XHOQWZZHTOLXCP-VGWMRTNUSA-N 380.445 -0.579 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(N)=O)[C@H]2C1 1790853259 NATKHUKVFYCGPL-KKUMJFAQSA-N 395.456 -0.259 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H]3CCOC3)C[C@@H]21 1791079494 OPJLYLNJAKAIAA-VGWMRTNUSA-N 378.425 -0.129 30 20 GBED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNCP(=O)(O)O)C3)C1 1792439207 KWHMFVPEQRYMFM-AGGWBTHJSA-N 387.373 -0.733 30 20 GBED CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](S)C(C)C)C2 1793314323 RZZDHHLDJUCNLO-AYRXBEOTSA-N 392.543 -0.035 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2cccnc12 1797364914 HCYQPYKJPSMYDS-MPTYRVRUSA-N 397.435 -0.029 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)nn1)C2 1797707297 HTCBUOMOHUXEAK-LMWOUKEDSA-N 390.440 -0.042 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)C2 1798393244 LRXPWPBWDVLQBY-XVIXHAIJSA-N 392.456 -0.204 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@@H](N)C(N)=O)C2 1798393372 BZNUWUZOPUIYHQ-KHMAMNHCSA-N 380.489 -0.210 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCC(=O)NC2)C3)c1 1798691225 GZOBBPLBXVMMJR-VWPFQQQWSA-N 385.424 -0.384 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C)n1)C2 1799391394 IJECMOLWKNRHIU-FQUUOJAGSA-N 378.433 -0.181 30 20 GBED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(O)O)[nH]n1 1814434316 RQAJTCICAKJJRA-ZHRWSRJISA-N 377.401 -0.429 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829865824 APOQAPVZAWVCEE-PXNSSMCTSA-N 393.484 -0.423 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccs1)CCO2 1833940158 CVJOWAQASSSTFN-KRWDZBQOSA-N 378.406 -0.094 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)CC1 1835345303 JQGGQAHFJVLNJG-SFHVURJKSA-N 387.396 -0.856 30 20 GBED Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)n1 1836067456 DCNWSEIVCDRULO-LJQANCHMSA-N 388.424 -0.210 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836149979 ASWLAQGQJOOOMW-YOEHRIQHSA-N 378.433 -0.658 30 20 GBED CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1839857233 UFHAVBBIRYBNOJ-NVXWUHKLSA-N 387.502 -0.467 30 20 GBED Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)on1 1840041148 VHSNTXGHMMELJV-SFHVURJKSA-N 391.380 -0.930 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)CC)C2)C1 1840840531 DNKBQOOJZDUMDZ-BEFAXECRSA-N 379.457 -0.229 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N(CCOC)CC(=O)N(C)C)c1 48968000 XWXMTUSLRWUKAT-UHFFFAOYSA-N 381.454 -0.225 30 20 GBED COC(=O)[C@@]1(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCOC1 268848412 FGXUTYDGLIKYKD-BDJLRTHQSA-N 381.410 -0.327 30 20 GBED N#Cc1ncn(CCNC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)n1 286905270 JIIRLQNAFRLUMM-UHFFFAOYSA-N 396.455 -0.207 30 20 GBED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H](O)C(C)(C)C1 349470972 ZDSHILWUTFYWBV-QWHCGFSZSA-N 381.520 -0.123 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C)C[C@H]1C 349475165 LPKIVQSQJYTQTD-GFCCVEGCSA-N 380.492 -0.956 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 349512056 UOHKWTKUMVESTN-JSGCOSHPSA-N 389.503 -0.790 30 20 GBED C=CCNC(=O)NC(=O)CN1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 364934604 RJFAMALWTQMTKI-GFCCVEGCSA-N 375.389 -0.145 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(c3ncccc3F)C2)C1=O 371900883 IQKFFVBURGGEFD-NSHDSACASA-N 375.360 -0.108 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NC[C@@]2(N3CCOCC3)CCSC2)CCO1 409567676 RKLSBVQUOPBOLO-KGLIPLIRSA-N 376.504 -0.747 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 409828156 LLDFOVYRCYJAQB-OLZOCXBDSA-N 382.508 -0.599 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@@H](C)[C@H](CN)C3)CC2)c1C#N 423452756 WVYVZAFTOMXTJZ-UKRRQHHQSA-N 387.488 -0.308 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)CC(C)(C)CC#N 451385379 SCAZEYHUWZLATH-LBPRGKRZSA-N 375.447 -0.364 30 20 GBED C=CCCCS(=O)(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 489493895 GVXKBJLUNCDRQF-UHFFFAOYSA-N 381.520 -0.087 30 20 GBED C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 490773980 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N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)c1 844153464 SBNQQOCTYLVDFS-OCCSQVGLSA-N 378.410 -0.207 30 20 GBED COC(=O)NCCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 848942371 JTZVCMQYEMRVKL-UHFFFAOYSA-N 390.443 -0.535 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)CC1 874382654 KAFYNKUPWLGOBZ-CHWSQXEVSA-N 388.390 -0.415 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914652348 KTQGHQDGIPDHMR-IGCXYCKISA-N 399.469 -0.380 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1COCCN1C 1109157843 CHRCRHKALULJPO-QPSCCSFWSA-N 379.461 -0.950 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C 1117587439 UUTLNRBMJOJZMM-CYBMUJFWSA-N 375.491 -0.993 30 20 GBED CC#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)n1 1130234906 OMOFKBPLFGLZEK-XQLPTFJDSA-N 388.472 -0.369 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 1260263009 GGWNGEHKHSUPCI-CQSZACIVSA-N 399.403 -0.724 30 20 GBED CN(C)C(=O)CCN1CCC(NC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1292880699 LLGBPNRKQGLFIA-UHFFFAOYSA-N 390.444 -0.730 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NC[C@@H]1COc2ccccc2C1 1322678453 KIEPCHMXFBVITQ-OYLHUBKDSA-N 398.419 -0.004 30 20 GBED N#Cc1ccc(OC2CN(C(=O)C(=O)N3CC[C@@H]4OCC(=O)N[C@H]4C3)C2)cc1 1325095186 LAAAVVSMGONDKA-HOTGVXAUSA-N 384.392 -0.736 30 20 GBED C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CCO1 1325208492 YJTRZAAGSOTJSN-MJBXVCDLSA-N 396.444 -0.122 30 20 GBED C=CCN(C(=O)C(=O)NCC1CCN(S(C)(=O)=O)CC1)[C@H](C)COC 1328882930 CJDKNUIZQSBHIV-CYBMUJFWSA-N 375.491 -0.176 30 20 GBED CN(C)C(=O)OC1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1332077562 BVKNTNVSLVVBDH-AWEZNQCLSA-N 377.445 -0.126 30 20 GBED CS(=O)(=O)NC1CC(NC(=O)C(=O)NCc2ccc(OCC#N)cc2)C1 1346070042 BAVDHLJZRJABBS-UHFFFAOYSA-N 380.426 -0.598 30 20 GBED C=CCn1c(CN2CCC[C@@H](O)C2)nnc1N1CCN(CCOC)C(=O)C1 1351715642 WMPIRMUDAJTALY-OAHLLOKOSA-N 378.477 -0.284 30 20 GBED C[C@H](C#N)C(=O)N1CC[C@]2(CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCO2)C1 1573567440 MYFPLAOBCJGIFM-PIGZYNQJSA-N 384.400 -0.202 30 20 GBED C[C@@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C2)CC1 1573569637 CQWADDUPHKFYOG-QWHCGFSZSA-N 382.432 -0.461 30 20 GBED C#CCN(C(=O)[C@@H]1CCCCO1)C1CCN(CC(=O)NCc2cnn[nH]2)CC1 1574895070 MPKYLAAGECFRQF-KRWDZBQOSA-N 388.472 -0.084 30 20 GBED C=CCNC(=O)Cn1c(C2CCNCC2)nnc1N1CC(=O)N(C)C[C@H]1C 1574936102 GYJUZDILRUVAOS-CYBMUJFWSA-N 375.477 -0.286 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H](NC(=O)C2CCN(Cc3cnn[nH]3)CC2)C1 1575013807 UQILBRYEAQNFFC-BPUTZDHNSA-N 388.472 -0.182 30 20 GBED CN(CC(=O)NCC#N)C[C@H]1CCN(C(=O)c2cncc(-c3cnn[nH]3)c2)C1 1576760790 FETFFBHUOALDJX-CYBMUJFWSA-N 382.428 -0.100 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(N(CCO)[C@@H]2CCCN(C(=O)[C@H](C)C#N)C2)n1 1580643613 VGCCULIUGGYAAC-DGCLKSJQSA-N 385.432 -0.086 30 20 GBED N#Cc1cncc(N2CCO[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 1581882603 ASOLACUKBIRLJE-LBPRGKRZSA-N 380.372 -0.508 30 20 GBED C=CCn1cc(C(=O)NC[C@@H]2CCCN2c2cnc(-c3nn[nH]n3)cn2)nn1 1588713859 WPJQDXYTXHULOO-NSHDSACASA-N 381.404 -0.167 30 20 GBED C=C(CNC(=O)[C@@H]1CC[C@H](C(=O)OC)O1)CNC(=O)[C@H]1CC[C@@H](C(=O)O)O1 1602788349 HNYCZYIRNATUDF-MROQNXINSA-N 384.385 -0.872 30 20 GBED CC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)COC1 1706963169 VOPWIMREWXUEMO-CHWSQXEVSA-N 381.458 -0.055 30 20 GBED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)C1CC1 1723621319 MSLBJTJPHPPUSS-CYBMUJFWSA-N 375.433 -0.329 30 20 GBED CC[S@](=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010028 AKCXZNOOSULABL-PJGWDPASSA-N 398.481 -0.253 30 20 GBED O=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CN1 1783162478 KXCQHUWVWAETRP-QZLSCGPGSA-N 391.472 -0.576 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOC3=O)[C@H]2C1 1784278106 VEYXKWCBPOAYEV-UGUYLWEFSA-N 393.440 -0.543 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3noc(C)n3)C[C@@H]21 1784479040 VENFNNVSKGJZCY-TUUVXOQKSA-N 390.440 -0.061 30 20 GBED CN1CC(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)C1 1784783357 TXIMAUUKDXNIJI-DDIDFQKISA-N 394.472 -0.093 30 20 GBED CN1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)C1 1791795647 XIKKBOVHIJAMLI-DZJNWNRZSA-N 391.516 -0.001 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc[nH]n1)C2 1792490022 FHKWUKNJSPIYDT-CNWIRUGESA-N 387.440 -0.600 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@H]1NC(=O)NC1=O 1794204659 ADYZKIAGRUEWBO-RKQHYHRCSA-N 376.413 -0.739 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1OC 1794370414 QISZDMOVTQSECQ-XQLPTFJDSA-N 388.424 -0.273 30 20 GBED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c1 1800779485 JTYOPQANCQLODP-IVWMJMPLSA-N 385.351 -0.011 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1830059743 KMEPPEUTMGIDHN-LJQANCHMSA-N 388.424 -0.060 30 20 GBED COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1835248144 JRDWWXHBOGEHJH-CZUORRHYSA-N 376.475 -0.576 30 20 GBED CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835357386 WHSREXMTWCTJLY-GOSISDBHSA-N 380.445 -0.481 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc(OC)c3OC)C2)C1 1839809670 GJIZPXVNWZEICP-LJQANCHMSA-N 389.408 -0.198 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1839840798 MIFSGQBBPRDWLJ-MAUKXSAKSA-N 377.445 -0.053 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1840175648 WKBGTDWVHZYCPQ-YOEHRIQHSA-N 386.470 -0.404 30 20 GBED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 144194771 IVBIFBNCHUEFRY-UHFFFAOYSA-N 380.426 -0.001 30 20 GBED C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)O 262889952 LJKLOIATYCEBFU-AWEZNQCLSA-N 395.437 -0.044 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCCN1CCN(CC)CC1)c1cc[nH]n1 278096168 YWAABENQICQJIC-LTGZKZEYSA-N 380.449 -0.553 30 20 GBED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 282203846 HFLXBXDACNVCCP-UHFFFAOYSA-N 391.476 -0.225 30 20 GBED CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1 284063596 QXJPFRZUQYESIE-KRWDZBQOSA-N 383.452 -0.061 30 20 GBED CCNS(=O)(=O)c1cccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)c1 416533010 YUYJYHKTVDGRBX-ZDUSSCGKSA-N 388.471 -0.456 30 20 GBED C=CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508889262 RRYCCOLIYRFDRX-UHFFFAOYSA-N 394.443 -0.215 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCSC[C@H]1C#N 539329374 GLBFLPRGFMFFDA-ZYHUDNBSSA-N 382.467 -0.080 30 20 GBED C[C@H](N)[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCO1 591570931 XKIMWSCLOMDVGR-YJBOKZPZSA-N 385.468 -0.223 30 20 GBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 592323327 NQSCHSXVRPISMS-NEPJUHHUSA-N 398.379 -0.540 30 20 GBED COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 592931011 SJVUYDASYXYIPW-UONOGXRCSA-N 395.437 -0.207 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3[C@H]4CC[C@H]3CNC4)C2=O)cc1 596136408 UAWWZWIQCDSRLY-YESZJQIVSA-N 381.436 -0.262 30 20 GBED 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C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[nH]n2)C[C@@H]1O 1573286440 BTCQZVNVUVDGIC-YIZRAAEISA-N 397.848 -0.319 30 20 GBED C#CCNC(=O)[C@H](C)N1CC[C@H](N(CC)C(=O)CCOCc2cnn[nH]2)C1 1574985864 NIOICEHHUREXAG-HOCLYGCPSA-N 376.461 -0.228 30 20 GBED N#Cc1ccc2c(c1)CCN2C(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O 1581874361 OSKGDSRESIFPMA-UHFFFAOYSA-N 378.352 -0.020 30 20 GBED C#CC[C@H](COC)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1588333907 IKCZSRFSGWCPKB-DGCLKSJQSA-N 392.441 -0.312 30 20 GBED C#CC[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1)C(=O)OC 1588334419 XCNVBCMBGLMXOZ-CYBMUJFWSA-N 391.409 -0.537 30 20 GBED C#CCN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CCN(CC(=O)NCC)CC1 1588348924 TUNNJDHBKYKESH-UHFFFAOYSA-N 384.444 -0.129 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1 1588355166 FUDMLINDBLLAAG-JCGVRSQUSA-N 382.428 -0.020 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588665081 DLOSOAWGPBWNGS-PIGZYNQJSA-N 389.416 -0.521 30 20 GBED O=C(CNCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCC#Cc1ccccc1 1592872526 FMYMFZWVZWPFQW-UHFFFAOYSA-N 392.423 -0.318 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1nc(-c2nn[nH]n2)cs1 1593084603 HVJDTUWAIFIOAB-QBFSEMIESA-N 389.401 -0.351 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@]1(CC(=O)O)CCOC1 1593334295 NHEDQOBESHUDMF-ZBEGNZNMSA-N 381.410 -0.025 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)CCO1 1609495075 VIMIULFQCSQTAI-CYBMUJFWSA-N 379.402 -0.696 30 20 GBED CCOC(=O)c1cc2n(n1)C[C@H](C)N(S(=O)(=O)N1CCO[C@@H](C#N)C1)C2 1622582194 KYIKKOMTAAIFLK-AAEUAGOBSA-N 383.430 -0.267 30 20 GBED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(N)=O)C1 1722543550 QSYOJOAUDJQPTH-ZJUUUORDSA-N 376.870 -0.048 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1snnc1C1CC1)CCO2 1783561650 DHDVKDGNTFFMNJ-QGZVFWFLSA-N 390.421 -0.053 30 20 GBED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)NC(=O)OCC)CCO2 1783908113 ZWEHRVYLAAPCGN-YJBOKZPZSA-N 381.429 -0.316 30 20 GBED N#CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=N)N)C[C@@H]32)cc1 1790141694 STGHGTXUEOIURI-ULQDDVLXSA-N 398.467 -0.171 30 20 GBED C[C@H](Nc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800776083 UNHWHNZBWSUAKN-FLTUCWPJSA-N 386.408 -0.440 30 20 GBED N#CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1826319525 XTMWFTYMRMDGAX-CQSZACIVSA-N 398.427 -0.040 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1829765017 DWQJSGGVJPEUHD-JXCVUKRWSA-N 376.413 -0.785 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CC(F)(F)C1)CCO2 1829992607 KMDNZEWHMCHIJD-MRXNPFEDSA-N 386.351 -0.424 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(-c3cccnc3)c1)CCO2 1833622038 ZPNZOWZTMCFPST-FQEVSTJZSA-N 395.419 -0.030 30 20 GBED COCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837526189 BVUIAPAPWHXJEM-JEZCDEBDSA-N 399.444 -0.382 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)CN2CCN(C)CC2)c1 264422794 KLLYFWGLQNYQCB-OAHLLOKOSA-N 378.498 -0.036 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3nc(C)ns3)CC2)C1=O 266952420 XVHBRZWLWORSAO-UHFFFAOYSA-N 378.414 -0.528 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCN(C(=O)C2CC2)CC1 268353470 RXAGACXPOFDVPC-HNNXBMFYSA-N 397.483 -0.060 30 20 GBED Cc1nc(S(=O)(=O)NCC(=O)N2CCN(C/C(O)=N/C3CC3)CC2)cn1C 329105723 HEULCNNJPFDNRR-UHFFFAOYSA-N 398.489 -0.730 30 20 GBED C[C@@H](/N=C(/O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)C1CCOCC1 329823150 ZJEQCZQZWPHEAF-GFCCVEGCSA-N 380.449 -0.322 30 20 GBED N=C(O)[C@@H]1CC[C@@H](C/N=C(/O)N2CCN(C(=O)CN3CCOCC3)CC2)O1 329951922 MRDRQHWFOOVGEY-KBPBESRZSA-N 383.449 -0.540 30 20 GBED CCS(=O)(=O)N1CCN(/C(O)=N/CCN2CCC(N(C)C)CC2)CC1 330492324 QTCJSMNBZXXQMN-UHFFFAOYSA-N 375.539 -0.106 30 20 GBED C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)N(C)C1(C#N)CCC1 349456332 DMBMFAGRVPLSKT-CHWSQXEVSA-N 379.504 -0.131 30 20 GBED C[C@H]1CC(=O)NCCN1S(=O)(=O)CCCCS(=O)(=O)N(C)CC#N 349601316 OEJPQPZIPQFVFX-LBPRGKRZSA-N 380.492 -0.908 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CSC[C@@H]1C(=O)NCC1CC1 409562540 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CCOC(=O)CON=C(C(=O)N1C[C@@H](O)C[C@@H](C(=O)OC)C1)c1cc[nH]n1 844120554 ZTFDEFUCDHOQEC-MNOVXSKESA-N 382.373 -0.924 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)O)CC2=O)CC1)[C@@H]1CCCO1 846334191 YFBCTKNGSCBSOH-QEJZJMRPSA-N 391.424 -0.793 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)OC)cc1 848639219 RGJIPRXWRUSARE-UHFFFAOYSA-N 385.423 -0.715 30 20 GBED COCC(=O)N1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1 867327717 YSHPHFBDTBENGT-UHFFFAOYSA-N 399.451 -0.476 30 20 GBED C#CC1(O)CN(C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 890519487 OHJOMKXDQPGRMR-UHFFFAOYSA-N 391.449 -0.641 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)CCn3cnnn3)C[C@@H]21 960977468 JFELGWCAPFRADR-CBBWQLFWSA-N 376.417 -0.908 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc(C)c(C)[nH]c2=O)C[C@@H]1O 970707006 MNSYZYQCIXNBIK-MQYQWHSLSA-N 376.413 -0.721 30 20 GBED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2cn(CC(N)=O)nn2)c[nH]1 1003369742 SFLGKCYXAFHDOZ-BZPMIXESSA-N 382.384 -0.861 30 20 GBED 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CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)n1 1319914828 AMMBCZATTYNFTD-NSHDSACASA-N 396.473 -0.154 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 1321608578 ZVSHFCSHPLNUAD-GXTWGEPZSA-N 384.458 -0.036 30 20 GBED CCOC(=O)[C@H]1CCCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1326597351 QLYUDTRDBFVROE-TZFAWSOVSA-N 392.412 -0.569 30 20 GBED CN1C(=O)CC[C@@H](NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1=O 1329198393 OBOZKYCTLMWUHV-CQSZACIVSA-N 398.423 -0.698 30 20 GBED C#CC1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CCN(C)CC2)CC1 1332267442 QEUYOEMAZXBNDD-UHFFFAOYSA-N 376.501 -0.229 30 20 GBED CCS(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccc(C#N)c(F)c2)CC1 1333967557 VMQQGJNWMXSCDB-UHFFFAOYSA-N 382.417 -0.193 30 20 GBED Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)F)cn1 1503653549 VAFJTMJOCKGLCA-NSHDSACASA-N 380.359 -0.211 30 20 GBED CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CC(=O)N1CCOCC1 1541103998 LSOHGPNWRITWLZ-CYBMUJFWSA-N 377.449 -0.129 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 1561766396 LUVUTDNZOLXYDR-TUAOUCFPSA-N 376.435 -0.975 30 20 GBED C=CCN1CC[C@@H](N2CCOC[C@@H]2CNC(=O)CCCc2cnn[nH]2)C1=O 1575103943 KTNWQSZSKCEZAD-JKSUJKDBSA-N 376.461 -0.269 30 20 GBED C[C@@H]1CN(C(=O)CC(=O)NCc2cnn[nH]2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1 1577152063 BOPOFHJPOIKMEV-DGCLKSJQSA-N 398.427 -0.465 30 20 GBED CO[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1579862066 PJZWWIJLWFOYSC-CHWSQXEVSA-N 380.372 -0.510 30 20 GBED C#CCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CC1 1588353641 ZPPHWTGQQDJYPQ-UHFFFAOYSA-N 377.386 -0.286 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)cn1 1588407187 ZYDBGYWKCIOMLK-KGLIPLIRSA-N 388.432 -0.378 30 20 GBED C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)n1 1588510230 AVFPJYRFFNAEFZ-STQMWFEESA-N 379.417 -0.348 30 20 GBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1588615731 FTCDQQVDMASQDN-LBPRGKRZSA-N 389.416 -0.255 30 20 GBED CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C(=O)NC1CCN(CC#N)CC1 1591132281 LJUQNVCLUYEPAF-UHFFFAOYSA-N 382.428 -0.071 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(-c3nn[nH]n3)cc2)CCN1C1CC1 1606345861 QVAXNOGRZSUMII-MRXNPFEDSA-N 394.439 -0.276 30 20 GBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1783052897 QTEDVCUNLLVFKE-AUUYWEPGSA-N 395.456 -0.275 30 20 GBED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)n3)[C@H]2C1 1787442449 XFEZMSHIZMQDCX-WDCWCFNPSA-N 382.442 -0.201 30 20 GBED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1789957191 KXNALKAGLBEQKD-AJNGGQMLSA-N 379.413 -0.145 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)OC)[C@H]2C1 1791475381 QJKHUFJKKBBRIV-AJNGGQMLSA-N 383.445 -0.087 30 20 GBED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793258549 ITAMPPSURDNVBJ-JJAZEVLHSA-N 397.497 -0.683 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnn3n1)C2 1793344250 GGCMZOSLQTZOJK-AFIMGQEJSA-N 397.435 -0.029 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1O 1794356272 WMHWMJHEGOAJDB-ZJOBFFGXSA-N 391.424 -0.120 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=S)NC 1797756625 XCSXQDBPIBIISN-HGTKMLMNSA-N 396.513 -0.902 30 20 GBED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2 1797816065 ZWNBGPYIWVZYNO-GGMLEPMZSA-N 399.444 -0.886 30 20 GBED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O 1798357633 IDGQGOBNRSOLGT-YIYPIFLZSA-N 387.440 -0.009 30 20 GBED N#CC1(C(=O)N[C@@H]2CCc3nc(NC(=O)CC[C@H](N)C(N)=O)sc3C2)CC1 1815056024 IOZPRXSRLOCUOR-ZJUUUORDSA-N 390.469 -0.048 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cnccn1)CCO2 1830959685 FHTNQIVVKPTBTD-HXUWFJFHSA-N 384.436 -0.111 30 20 GBED N#CCCC(=O)NC1CCN(C2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)CC1 1834607508 UNBMKFYUWWCOFK-CQSZACIVSA-N 375.473 -0.002 30 20 GBED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1837313875 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30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)OC)cc1 275671831 WDZVGNZGKWDJFW-GJZGRUSLSA-N 380.422 -0.263 30 20 GBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCC(CS(N)(=O)=O)CC1)CC2 275914298 UVGBWYNTUPNITG-UHFFFAOYSA-N 376.438 -0.026 30 20 GBED C#CCOc1ccccc1NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C 277181894 UVVPEFGMQIBORT-UHFFFAOYSA-N 382.442 -0.414 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1CO 288619786 OEWWPWLOGWFVNM-XOKHGSTOSA-N 384.436 -0.138 30 20 GBED CN(C(=O)C(=O)N1CCc2ccc(C#N)cc21)[C@@H]1CCN(S(C)(=O)=O)C1 293159490 LLBGUKKQDPBWCA-CQSZACIVSA-N 376.438 -0.060 30 20 GBED CC(C)N1C[C@@H](N/C(O)=N/CCS(=O)(=O)N2CCSCC2)CC1=O 330255755 PUULPTALWPQLFR-LBPRGKRZSA-N 378.520 -0.122 30 20 GBED C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1cc(C#N)ccn1 349462823 LPVFCHITCXYKDG-YPMHNXCESA-N 388.471 -0.130 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H]2[C@H](O)CC[C@H]2C1 349481734 ODMDIDHAHBZFPL-YNEHKIRRSA-N 385.467 -0.120 30 20 GBED Cc1nc2n(n1)CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)C2 349517456 FRDMZOVIBCPWRK-LLVKDONJSA-N 390.491 -0.704 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCCS(=O)(=O)N2CC[C@H](O)C2)nc1 349593768 SZUVGPDETKGFLM-ZDUSSCGKSA-N 388.471 -0.128 30 20 GBED CN1C[C@H]2CN(S(=O)(=O)CCCCS(=O)(=O)N(C)CC#N)C[C@H]2C1 349599675 BFQQLQZGSFGBPN-OKILXGFUSA-N 378.520 -0.625 30 20 GBED CC1(CNS(=O)(=O)CCCS(=O)(=O)Nc2ccc(C#N)cn2)COC1 349610080 BZBHQTYDNGIQCY-UHFFFAOYSA-N 388.471 0.041 30 20 GBED C=CCN1CC[C@@H](N(C)CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1=O 410313238 ZOZJQARHXXWDGJ-MRXNPFEDSA-N 393.532 -0.236 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](N(C)CC(=O)O)[C@H](O)C2)c1 435695722 GGEUPHNXLLDURW-LSDHHAIUSA-N 397.453 -0.647 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 533056987 BNAGYZMHVQBSGO-IVSAIRAKSA-N 386.518 -0.483 30 20 GBED C=CCN1CCC(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)CC1 550769669 AJDCGSPHJGWXKU-UHFFFAOYSA-N 394.497 -0.152 30 20 GBED COc1ccc(C(=O)NCCn2cnc(C#N)n2)cc1S(=O)(=O)N(C)C 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C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCO[C@H]3C=C)C[C@H]2O)nn1 1023771446 TZUVACTWVJENTM-XOUADPBQSA-N 375.429 -0.253 30 20 GBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1n1ccnn1 1051472500 MPHMOQUXQQYPLN-AEIGPULVSA-N 384.400 -0.710 30 20 GBED CN1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2nccnc2C#N)S1(=O)=O 1055223430 FTZNKJGYPGKXQR-UVLXDEKHSA-N 376.442 -0.392 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)Nc2nncs2)C[C@H]1O 1077821672 AGXGUZAIQDQMSJ-SFTQSGBHSA-N 381.458 -0.381 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CC(=O)N(CCOC)C1 1109363096 QHPXIRGUOIWJPO-WCVJEAGWSA-N 378.473 -0.495 30 20 GBED C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCCCN1CCCC1=O 1110402112 XMNMVNSQYDEXHT-FPCVCCKLSA-N 375.473 -0.004 30 20 GBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 1219825676 GEYJEKCOFQNADL-UKBAYJJMSA-N 387.436 -0.946 30 20 GBED CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCCc1ccc(C#N)cc1 1261617703 RCORDICRWQMAKJ-OAHLLOKOSA-N 378.454 -0.243 30 20 GBED Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)n(CCC#N)n1 1319920146 VEBNMFXFQXLUKB-QWHCGFSZSA-N 376.417 -0.204 30 20 GBED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)Nc1cnn(CC#N)c1)CC2 1320253900 BKAVPOWLGPSKLT-UHFFFAOYSA-N 388.409 -0.157 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)N2CCOCC2)CC1 1321684940 IXYAJVGCQDILAO-UHFFFAOYSA-N 389.478 -0.837 30 20 GBED Cn1cc(-c2ccc(C=c3sc(=C(C#N)C#N)n(CC(N)=O)c3=O)cc2)cn1 1325012695 UEPXMLCRHUMIDO-UHFFFAOYSA-N 390.428 -0.178 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC1CCN(S(C)(=O)=O)CC1 1330207923 KBYXHTABZDOWJO-HUUCEWRRSA-N 387.502 -0.128 30 20 GBED C[C@@H](C#N)C(=O)N1CC2(CC[C@@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)O2)C1 1573561894 OIZDOQIENIQHGJ-JQWIXIFHSA-N 384.400 -0.156 30 20 GBED C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC2CC2)CC1 1574707537 VJCGRTIOUIHVAA-MRXNPFEDSA-N 399.499 -0.053 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H](N)C1 1574935878 DHMDGVMVMJMAQK-XQQFMLRXSA-N 382.490 -0.734 30 20 GBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(CC)C(=O)[C@H](C)OCc2cnn[nH]2)C1 1575004815 MOSNHTXAVPKMPJ-DZGCQCFKSA-N 390.444 -0.701 30 20 GBED C#CCNC(=O)CC(=O)N1CC(N(C)C(=O)c2ccc(-c3cnn[nH]3)cn2)C1 1575004912 PPLWPSZNMBPFFQ-UHFFFAOYSA-N 381.396 -0.711 30 20 GBED C=CCNC(=O)CN(C)C[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575104973 YSQMZCGXRNVIGR-WBVHZDCISA-N 389.504 -0.148 30 20 GBED N#CCSCC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2cnn[nH]2)nc1 1577710331 YAHNOUVBYJZAAJ-NSHDSACASA-N 375.414 -0.670 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[nH]n2)nn1 1588351557 ZDYQVWBNNFHUED-OJLVUWQFSA-N 393.455 -0.020 30 20 GBED C#Cc1ccc(C(=O)N(C)C[C@@H](O)CNc2nccnc2-c2nn[nH]n2)cn1 1588365600 ZUYMTODUDHZTRA-ZDUSSCGKSA-N 379.384 -0.422 30 20 GBED C=C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 1588525561 IIEOWEVBZIQKEQ-ZDUSSCGKSA-N 378.414 -0.754 30 20 GBED C=CCNC(=O)CN1C[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@]2(C)C1 1588658652 DJRGECBFOASDDB-XIKOKIGWSA-N 384.444 -0.109 30 20 GBED C=C[C@H](CO)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O 1588727735 HQXULBCLFNFSJG-YPMHNXCESA-N 385.384 -0.265 30 20 GBED C=CCCn1cc(C(=O)N[C@H](C)[C@H](C)N=c2cc[nH]c(-c3nn[nH]n3)n2)nn1 1602846791 ZGVBVZKAHIPMOU-WDEREUQCSA-N 383.420 -0.135 30 20 GBED CC#CCS(=O)(=O)NC(=O)CCc1c(C)nc(O)c(-c2nn[nH]n2)c1C 1609060227 DWLHWMMEYBFNBO-UHFFFAOYSA-N 378.414 -0.014 30 20 GBED Cn1c(N2CCc3c(sc(N)c3C#N)C2)c(-c2nn[nH]n2)c(=O)n(C)c1=O 1609476792 YZEJNOGFYUIBPS-UHFFFAOYSA-N 385.413 -0.658 30 20 GBED Cn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(O)nc1=O 1621784641 ZNFWYXHYVQSYDO-CQSZACIVSA-N 389.437 -0.115 30 20 GBED N#Cc1cn(CCC(=O)N2CCN(CC3CCOCC3)CC2)c(=O)nc1O 1634003581 MWDOMZJGYIKHTF-UHFFFAOYSA-N 375.429 -0.219 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1778970289 YMWBGXGTPWIAER-UZLBHIALSA-N 395.500 -0.278 30 20 GBED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1784386934 LBFHEWDRXFLYRL-ULQDDVLXSA-N 384.436 -0.364 30 20 GBED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)CCC1 1785365474 ZRXCKCGXUORGGT-FZKQIMNGSA-N 377.445 -0.897 30 20 GBED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786699136 IVDMGBFWEVXVHR-WZTLGTBRSA-N 393.440 -0.114 30 20 GBED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1791265148 CDMSLTBRFSEUOM-IKOXMDCHSA-N 390.527 -0.138 30 20 GBED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]2C1 1791312969 CJUMLTJKUOPPGG-RCWTZXSCSA-N 397.419 -0.037 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC(N)=O)C2 1793355335 FTUCMDOIKWISQL-AHDPXTMNSA-N 382.461 -0.386 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)CC(N)=O 1793657243 BVQOJMSDGZFXCU-DPMPDIIESA-N 376.457 -0.006 30 20 GBED COC(OC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597695 VIBKNGIUQGARCG-BTTYYORXSA-N 382.461 -0.523 30 20 GBED Cn1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)c1 1795597960 LVLCSIVUESOBRA-MIFYACCESA-N 388.472 -0.095 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2cncn2c1 1797532462 XSTHONIZMZNYPL-ZSBFGKGUSA-N 382.376 -0.375 30 20 GBED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2 1797811797 WSPJWUYDNRBXDK-GGJNZBAQSA-N 392.416 -0.463 30 20 GBED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)CN)C3)c(Cl)c1 1799749379 RNNIKYKLBHZIKM-VZAMPYOESA-N 391.859 -0.299 30 20 GBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1801000086 HXDCGZLWLGOBLO-SCAQPMJSSA-N 399.513 -0.176 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1812642152 AXSVKMJWCZMBRZ-LBTNJELSSA-N 384.392 -0.689 30 20 GBED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 1831673352 HVDHZFDYPUTQSG-LSDHHAIUSA-N 375.425 -0.170 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncs1)CCO2 1834471410 ZMTNNJKMQHLIMJ-MRXNPFEDSA-N 379.394 -0.699 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cocn3)CCO2)C1 1834504378 ZFFSZITVLYGUSN-KSSFIOAISA-N 377.397 -0.217 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccccc1)CCO2 1834999249 GZGAWRODXDRZIV-HXUWFJFHSA-N 386.404 -0.227 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C#Cc1ccccc1)CCO2 1835101529 FKTOFOYDQGCQBR-OAQYLSRUSA-N 396.399 -0.418 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)[nH]n3)CCO2)C1 1838655898 IHNBKFGXNJZHTO-HNAYVOBHSA-N 390.440 -0.174 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](C(=O)OC)C3)C2)C1 1839805256 GBSRNUUCDNQZMY-YZVOILCLSA-N 378.425 -0.335 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](NC)C(=O)O)C2)C1 1840167525 WJTZLMRARDRTKA-KXBFYZLASA-N 395.456 -0.691 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)NC3CC3)CC2)CC1 92616832 KQZQHLIIUSBGJU-GOSISDBHSA-N 390.532 -0.425 30 20 GBED Cn1cc(C#N)c(=O)n(CC(=O)NCC2(N3CCOCC3)CCCCC2)c1=O 270537553 AVMZLZVNKWWGQG-UHFFFAOYSA-N 389.456 -0.430 30 20 GBED CN(C)C(=O)CNC(=O)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 275561691 HFEOJGGBWQANSD-UHFFFAOYSA-N 397.439 -0.421 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(S(C)(=O)=O)CC1 280874834 WWLXQYQCOFITQJ-NSHDSACASA-N 385.467 -0.082 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1=O 280987261 ADZJIUMNGJPZIY-FVUFVHQMSA-N 375.425 -0.217 30 20 GBED C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 282382135 VCIXPMKQLZUUQO-ZDUSSCGKSA-N 389.460 -0.471 30 20 GBED C[C@H](/C(O)=N/C[C@H]1CCCO1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 329127806 ZHIMBXBXZOGBFP-ZIAGYGMSSA-N 380.445 -0.196 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCOCC(F)(F)C1 349507886 VUQMHUQANMZYPT-UHFFFAOYSA-N 375.419 -0.541 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 376738474 YCDDOQLYGWIAJQ-DLBZAZTESA-N 394.472 -0.533 30 20 GBED COc1cc(C[C@@H](CO)CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc(OC)c1 410147551 LWWFCKDAQXLNSO-RHSMWYFYSA-N 399.469 -0.086 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(C(=O)C(C)(C)C)CC2)C1=O 410884252 QXVSRVQENHPGBZ-CQSZACIVSA-N 378.473 -0.051 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCOCC(N)=O)cc1 441891422 BBERETHARCRVRI-UHFFFAOYSA-N 398.441 -0.950 30 20 GBED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc(Cl)c1N1CCOCC1 508998083 MEDPPCGLDZBUQE-UHFFFAOYSA-N 379.804 -0.129 30 20 GBED COC(=O)c1c(OC)ccc(S(=O)(=O)NCCn2cnc(C#N)n2)c1OC 511432679 ZSXZYHCZGNBWQP-UHFFFAOYSA-N 395.397 -0.068 30 20 GBED CNS(=O)(=O)c1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)cc1C 511438775 URYBLNUZXZHOCF-UHFFFAOYSA-N 384.443 -0.655 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCOC[C@@H]3CCCO3)CC2)c1 552363590 BWGYYYCETIOLLJ-INIZCTEOSA-N 387.440 -0.086 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@]2(O)CCS(=O)(=O)C2)c1 578143992 FAAOQIVGOCQKGI-OAHLLOKOSA-N 388.467 -0.570 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC2CCS(=O)(=O)CC2)c1 582957451 VQABVNAEPMUBPJ-UHFFFAOYSA-N 385.467 -0.222 30 20 GBED CS(=O)(=O)NC1CC(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 589515554 JORYWFNAROILFO-UHFFFAOYSA-N 386.455 -0.967 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC2CCOCC2)cc1 728086444 MXVKJJPYGQTZJP-UHFFFAOYSA-N 381.410 -0.325 30 20 GBED C[C@H]1NC(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)=NN(c2ccccc2)C1=O 731888630 XTCGGZUEXJMXBL-OPGVCCBYSA-N 396.407 -0.033 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(N)(=O)=O)s2)CC1 733149304 FAGHPBBQCWEFQK-UHFFFAOYSA-N 384.483 -0.707 30 20 GBED N#CCSCCCN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 745983569 YACIDKXTRSLKNI-ZDUSSCGKSA-N 381.545 -0.232 30 20 GBED Cn1cc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccc(C#N)cc2)cn1 746572137 GLXZBMLBZAPLCB-UHFFFAOYSA-N 391.409 -0.570 30 20 GBED C#CCNC(=O)C1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)OCC)C2)CC1 747849824 DJTZCEGHHSPLIZ-OAHLLOKOSA-N 385.486 -0.032 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1cccc(F)c1C#N 760596822 GBPRNXZWFNHTET-CYBMUJFWSA-N 399.400 -0.234 30 20 GBED N#Cc1ccc(CC(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 778113485 MWJXKRIVPIANEM-CYBMUJFWSA-N 379.394 -0.343 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 810270446 XJHPAKXXOSRRRS-HUUCEWRRSA-N 378.454 -0.184 30 20 GBED C#CCNC(=O)CCN1CCN(CCC(=O)NCC#C)[C@H](c2cnn(C)c2)C1 815090276 ILGIGEZTJYMBSD-SFHVURJKSA-N 384.484 -0.642 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)NCC(=O)O 827756216 YVLBCJBBLWZLEB-VHSXEESVSA-N 383.382 -0.642 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 875601204 HZLSBEXZEJIBDD-MRXNPFEDSA-N 378.473 -0.702 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2c(CC)nn(C)c2CC)CC1 893835977 GUWYMUFKVMUXRP-UHFFFAOYSA-N 396.517 -0.160 30 20 GBED C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CN(C)CCN1C 896577612 QDHQXQSECVSSGJ-ZFWWWQNUSA-N 393.513 -0.134 30 20 GBED C=CCn1cc(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)nn1 950053436 WKFJLXDPNNQLFD-RZLSGREXSA-N 375.429 -0.154 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CN2CCOCC2=O)[C@@H]1C 988282014 CIDUDZTUBHLFPA-LLDVTBCESA-N 379.457 -0.068 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 994648141 RFVNXGFLLUJCPC-TUVASFSCSA-N 377.445 -0.616 30 20 GBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C[C@H]2CC(=O)NC2=O)c1 1003981772 RDCPGSBEUYLRDG-XZDPQHSOSA-N 380.404 -0.023 30 20 GBED C=CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCN(C)[C@@H]3C)C2)nn1 1023968070 NHERMDFZNDZVEM-IXYNUQLISA-N 376.461 -0.504 30 20 GBED C#CCNC(=O)[C@H](C)N1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)nn2)C1 1107187260 VCSWRCYARZRFSL-LTUQZUHASA-N 398.467 -0.688 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1109714341 HKAXULBILLBITR-OLMNGRFOSA-N 391.472 -0.497 30 20 GBED N#Cc1ccccc1N1CCCN(C(=O)C(=O)N2CCC(O)(CO)CC2)CC1 1118498702 KWSJIJXRRRTZFS-UHFFFAOYSA-N 386.452 -0.057 30 20 GBED C=CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CCN(CC(=O)NCC)CC1 1121282555 CSGGMPIGNJOZJI-CQSZACIVSA-N 375.477 -0.332 30 20 GBED N#CCNC(=O)CN1C[C@H]2C[C@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)C[C@@]3(C1)O2 1131243875 GUORSHBZGGLGPH-AVYUIELZSA-N 386.452 -0.649 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@@H]3CCCNC3=O)C2=O)cc1 1261403069 ZPMZNXSRTPRGQB-GOEBONIOSA-N 397.435 -0.188 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1CCC(O)CC1 1298013942 VPDJEBWDDQJIHA-CYBMUJFWSA-N 380.470 -0.202 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CO)C(=O)OCc2ccccc2)C1=O 1320409666 PABZVQOTQANVOU-CYBMUJFWSA-N 389.364 -0.816 30 20 GBED CCN1CC[C@H](N(C)C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1322694053 MRBAQNUFUKVLIV-QLXQBBHQSA-N 391.472 -0.040 30 20 GBED C#C[C@H](NC(=O)C(=O)NCC1(NS(C)(=O)=O)CCCCC1)[C@@H]1CCCO1 1325452731 QDHZDSUGZQPUCN-KBPBESRZSA-N 385.486 -0.348 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NC[C@@H]2CCCCS2(=O)=O)n1 1327418782 LNDFUZOJHOUFHR-HNNXBMFYSA-N 380.470 -0.052 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2Cc2ccc(F)c(C)c2)CC1 1337014266 OBTIOMZHXWYMPK-UHFFFAOYSA-N 393.448 -0.241 30 20 GBED C=CCn1c(C[C@@H]2CCCCNC2=O)nnc1N(C)CCNS(C)(=O)=O 1342072458 MWJZLUMUQCVZTG-ZDUSSCGKSA-N 384.506 -0.092 30 20 GBED CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NCc2cccc(OCC#N)c2)CC1 1342190963 DXULCMLROUTZLU-UHFFFAOYSA-N 387.440 -0.387 30 20 GBED C=CCn1c(CN2CCC(C(N)=O)CC2)nnc1N1CCN(CCOC)CC1 1342416341 RVNAXKGZDVYWLS-UHFFFAOYSA-N 391.520 -0.070 30 20 GBED C=CCn1c(C2CCN(CCO)CC2)nnc1N1CCN(C(=O)COC)CC1 1356019672 SHJWQBSDAYPPCA-UHFFFAOYSA-N 392.504 -0.069 30 20 GBED C#CCN1CCC[C@H]1c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC(=C)C 1524020170 XMJJLQNQOOYHGU-HOTGVXAUSA-N 397.483 -0.229 30 20 GBED Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)cn1 1554333597 PJDNJRMUTDAPLY-CYBMUJFWSA-N 391.457 -0.015 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573299855 MCMVOCYYMBBPAC-QMTHXVAHSA-N 388.432 -0.100 30 20 GBED C#CCCCC(=O)N1CCC(N(Cc2cnn[nH]2)C(=O)Cn2ncnn2)CC1 1574848437 AKPYIBCQNKLXQS-UHFFFAOYSA-N 385.432 -0.386 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2COCCN2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1574937321 VZHASLKRCFEOTK-XHSDSOJGSA-N 389.504 -0.086 30 20 GBED N#CCNC(=O)CN1CC[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC[C@@H]21 1581857915 KETSZIMWQQGCDA-FZMZJTMJSA-N 383.416 -0.629 30 20 GBED N#CCSCC(=O)N(CCO)CCNc1ncc(-c2nn[nH]n2)cc1F 1581858448 GPULBJVQYLHJLZ-UHFFFAOYSA-N 380.409 -0.110 30 20 GBED C=CCCn1cc(C(=O)N[C@@H](C)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)nn1 1588621024 RXLUDHHNYIQHNU-JTQLQIEISA-N 384.404 -0.089 30 20 GBED C=CCn1cc(C(=O)N[C@@H](C)[C@@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 1588713927 ZCJHYGNDGWVJJU-ZJUUUORDSA-N 384.404 -0.091 30 20 GBED C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1CNCC(=O)NCC#N 1590268039 TZMHTXVFBMZJOQ-AAEUAGOBSA-N 385.432 -0.478 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CC(N)=O)[C@H](c2cnn(C)c2)C1 1757387010 PKVBEAGNHNHARV-AFIMGQEJSA-N 389.456 -0.313 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1781264061 PLPIZYNZAJBOBD-GOSISDBHSA-N 381.429 -0.538 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1783116877 QQVYRZDDOYNMRE-LIRRHRJNSA-N 375.425 -0.047 30 20 GBED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789760570 PYYBYUPKHWVZND-OJFNHCPVSA-N 385.530 -0.357 30 20 GBED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COCCO)c1 1799338330 CCSXMADOXAWEOY-ZSBFGKGUSA-N 391.399 -0.091 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1 1800525383 HLIOHVFMUJOJMH-ZJOBFFGXSA-N 393.440 -0.779 30 20 GBED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2)C(F)(F)F 1800548779 YAVXSAIIPUJAQE-PTEHBNRSSA-N 389.378 -0.466 30 20 GBED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3ccnnc3O)sc2C1 1821101739 GSGQZMIERVWSBK-QMMMGPOBSA-N 387.377 -0.048 30 20 GBED Cn1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cn1 1830064617 OTMVEOBXODWMJM-LJQANCHMSA-N 389.456 -0.031 30 20 GBED CC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1830521712 UDKFVAPJPVPTJI-SKNUIBKYSA-N 396.488 -0.315 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1831390985 CMUANHNQHKLZHM-JXFKEZNVSA-N 394.468 -0.092 30 20 GBED O=C(NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)C(O)O 1833221007 JPJSXKJSGAGIPT-XSFVSMFZSA-N 395.504 -0.660 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OC)cn1)CCO2 1834532562 IYLOBUACPBGUNV-LJQANCHMSA-N 388.424 -0.031 30 20 GBED CO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682600 MCRUOAJLXJBOFZ-KXBFYZLASA-N 396.488 -0.240 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cc(C)cnc13)CCO2 1836950199 QCHQYXCIWZCXBS-LJQANCHMSA-N 383.408 -0.259 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4nccn4)CCO3)C2)CCC1 1839239504 XVWVPCHHLIVQBP-GOSISDBHSA-N 388.428 -0.572 30 20 GBED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1839890194 MOZHZPDWHLCQCJ-INIZCTEOSA-N 389.399 -0.080 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCC1 1840045226 YGWCARVTDNKVPF-GOSISDBHSA-N 375.381 -0.775 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1840104222 JZWDVIDISAPHKC-IBGZPJMESA-N 392.456 -0.241 30 20 GBED CC/N=C(/NC[C@@H]1CN2CCN1CC2)N1CCN(C(=O)[C@@H]2CCCO2)CC1 262818563 XIGKZUMPMXSZDP-SJORKVTESA-N 378.521 -0.725 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)OC)cc1 275671843 WDZVGNZGKWDJFW-LSDHHAIUSA-N 380.422 -0.263 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCC(O)(C(=O)OCC)CC1)c1cc[nH]n1 277955424 KATRMVIJBFDONC-XSFVSMFZSA-N 396.400 -0.390 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1CCC(C(=O)OCC)(S(C)(=O)=O)CC1 286257032 AWBYEUNRJWCAAU-LBPRGKRZSA-N 389.474 -0.171 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 287002333 YWEYERIQYPSHCP-SECBINFHSA-N 395.425 -0.291 30 20 GBED O=C(C/N=C(/O)C1CCCCC1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 329908660 LXUBTWYIAMHJAP-CABCVRRESA-N 387.502 -0.175 30 20 GBED CC[C@H]1CN(C)CCCN1S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N 349462980 AWQZEMWMQMVVQZ-KBPBESRZSA-N 380.536 -0.046 30 20 GBED C[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)CC#N)CC(=O)N1 349482520 SHGUIPMCNXIPHK-NSHDSACASA-N 386.455 -0.660 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccccc3O)CC2)CCO1 436484026 CZYBGHKSSTXXTL-ZDUSSCGKSA-N 380.426 -0.381 30 20 GBED CS(=O)(=O)N1CCN(S(=O)(=O)NCc2ccc(C#N)c(F)c2)CC1 452043402 OBFDRTHEOJHLRX-UHFFFAOYSA-N 376.435 -0.391 30 20 GBED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCO[C@H](C#N)C2)CC1 475863936 FYVCVRDXAKSFDA-CQSZACIVSA-N 397.457 -0.651 30 20 GBED C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508498721 USDXCSIOELSCIF-DZGCQCFKSA-N 387.448 -0.103 30 20 GBED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H](CO)[C@H](CO)C2)CC1 528606415 WBLUIZFNUAYBFS-JYJNAYRXSA-N 378.498 -0.010 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](NC(N)=O)C1 544212420 QZMYZYUKSZJLDG-GFCCVEGCSA-N 375.385 -0.209 30 20 GBED CCN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 555840847 DXUBVNLTXCDJLI-ZDUSSCGKSA-N 385.467 -0.128 30 20 GBED CN1CC[C@]2(CCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)C2)C1 566488199 RYDINJWYKXBAIA-HNNXBMFYSA-N 392.547 -0.045 30 20 GBED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 566926992 SDSOJHMTIBONMI-GHMZBOCLSA-N 393.350 -0.131 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)C1=O 570071124 LBOXQQMCMGANSP-VXGBXAGGSA-N 376.379 -0.016 30 20 GBED COc1cncc(NS(=O)(=O)CCCS(=O)(=O)N2CC(CC#N)C2)n1 595966448 ZWMHBKYGIOWFBK-UHFFFAOYSA-N 389.459 -0.208 30 20 GBED COC(=O)CCNC(=O)CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 600506476 NTRLLGYZMISSSZ-UHFFFAOYSA-N 396.425 -0.978 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)N3CCCC3)CC2)C1=O 641879457 XWNKTJZESYEATM-UHFFFAOYSA-N 377.401 -0.677 30 20 GBED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1 670231683 YCPVBYWGVPUQDL-KBPBESRZSA-N 384.506 -0.015 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)N2CCCC[C@H]2C(=O)OCC)CC1 728573735 TXHBHNIYIZYWHX-INIZCTEOSA-N 378.473 -0.702 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2cc(-c3cnn(C)c3C)no2)CC1 767333776 VVCLESGHAXTPFZ-UHFFFAOYSA-N 378.458 -0.031 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2c(OC)ncnc2N(C)C)CC1 775137425 UJVDVQMJEMKROT-UHFFFAOYSA-N 388.428 -0.522 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1)[C@@H]1CCCO1 809306434 QOMWWTUXSNKSLW-XSLAGTTESA-N 376.501 -0.232 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2cc(-c3nn[nH]n3)ccc2OC)CC1 823850021 HIXZLTSUSJPKTR-UHFFFAOYSA-N 391.457 -0.540 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(C3OCCO3)c2)CC1 831564762 GPUDJZBAAGZXOJ-UHFFFAOYSA-N 379.438 -0.043 30 20 GBED C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N=c2nc[nH]n2C)cc1)C(C)C 848637818 XELIMAQCPROBFC-CQSZACIVSA-N 397.482 -0.026 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)nc2Cl)CC1 872515720 TUAUAGKWLWXXDQ-UHFFFAOYSA-N 392.890 -0.183 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](C)C1 940453177 MTHCMVBWXNWGDY-IATRGZMQSA-N 378.429 -0.518 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C 988496302 YZQSXPQFYSCCHA-KBXIAJHMSA-N 390.440 -0.756 30 20 GBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H]2CCS(=O)(=O)N2)c1 1002884136 PVEOBWKVKKAMGI-BYNQJWBRSA-N 377.426 -0.560 30 20 GBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@@H]1O 1044504959 DXYSWOQSUJMQBF-UNJBNNCHSA-N 377.832 -0.003 30 20 GBED C[C@H]1CC(=O)N[C@@H](C(=O)NC[C@]23CCC[C@H]2N(CC(=O)NCC#N)CC3)C1 1107408436 WICQRMJBOZDKNT-DEXNDLTESA-N 375.473 -0.098 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCc2nc(C(C)C)no2)CC1 1117351631 JYIJUCFRBYSJEP-UHFFFAOYSA-N 375.429 -0.160 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)CC(C)(C)CN1CCOCC1 1117633846 ILYZIQVUEDMLDQ-UHFFFAOYSA-N 389.518 -0.480 30 20 GBED C=C(C)Cn1c(CN2CCC(O)CC2)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1122474262 IWMQLIZEXXOHPP-HOTGVXAUSA-N 390.488 -0.095 30 20 GBED CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)NC1CCN(CC#N)CC1 1322418348 VZWIQXKQECCXDB-UHFFFAOYSA-N 386.456 -0.697 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 1324398811 WZLBBNCOWZTWGR-NSHDSACASA-N 385.408 -0.296 30 20 GBED N#CC[C@]1(O)CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 1328592565 VUYVAOILEIGENY-KRWDZBQOSA-N 392.437 -0.702 30 20 GBED CC(C)CO[C@@H]1CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1342099680 PBKPUTBXQCGTQT-JFVSRZABSA-N 378.429 -0.098 30 20 GBED C=C(C)Cn1c([C@@H]2[C@@H]3CCCO[C@@H]32)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1342262131 ATKOYHAYIMPFLJ-BARDWOONSA-N 386.456 -0.106 30 20 GBED C#CCN1CCN(c2nnc(-c3cn(C)c(=O)n(C)c3=O)n2CC(=C)C)CC1 1346603775 MIFMHTPIBOXSAD-UHFFFAOYSA-N 383.456 -0.326 30 20 GBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1348651892 JFDRDYHYRPOJSS-HZPDHXFCSA-N 390.415 -0.046 30 20 GBED Cn1c(N2CCN(C(=O)Cn3cnnn3)CC2)nnc1C1(C#N)CCCCC1 1525860853 WGNFCIMHCOLIPA-UHFFFAOYSA-N 384.448 -0.124 30 20 GBED N#Cc1cn(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nn1 1559420395 QSJSRYSDYGNTOG-UHFFFAOYSA-N 378.389 -0.178 30 20 GBED N#CCSCC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CCCN1Cc1cnn[nH]1 1577709932 INAJQGJJDYCANB-KGLIPLIRSA-N 377.474 -0.257 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@]1(O)CCN(c2nc(C)cc(-c3nn[nH]n3)n2)C1 1588358205 VGLBSGLLECVNGL-YVEFUNNKSA-N 386.416 -0.939 30 20 GBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@@H]1O 1588611045 PRKSHPQLFQSBIR-BNOWGMLFSA-N 388.432 -0.388 30 20 GBED C=CCn1cc(C(=O)N[C@@]2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)nn1 1588713784 TZRNXAARMMNPOA-INIZCTEOSA-N 381.404 -0.167 30 20 GBED C[C@@H](C#N)OCCOC(=O)CNS(=O)(=O)c1ccccc1-c1nn[nH]n1 1588934488 NPAUGQWFYFMFCB-JTQLQIEISA-N 380.386 -0.383 30 20 GBED CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCO[C@@H](CC(=O)O)C1 1598437112 NXFZBFQCZOLRGR-GJZGRUSLSA-N 375.381 -0.248 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(O)CCN(c2ccncc2-c2nn[nH]n2)C1 1602885297 ABDSTXCBXJJORT-MRAWALMUSA-N 385.428 -0.090 30 20 GBED CN(C)S(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@H](C#N)C1 1729346673 UUJVMNMIVFLRJM-CYBMUJFWSA-N 393.473 -0.096 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)COCc2ncc(C)o2)C1 1757196764 NKJTZRUHJDTDGA-KBXIAJHMSA-N 379.413 -0.221 30 20 GBED CCOC(=O)C1(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783564627 BAKANEMKHYPSRO-KRWDZBQOSA-N 378.381 -0.752 30 20 GBED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1785354292 HOXSZFHTNQPSHU-GOSISDBHSA-N 376.413 -0.337 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N(C)C(C)=O)[C@H]2C1 1787513440 HFPWJYJZJSDDSO-IAVJCBSLSA-N 393.484 -0.129 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncnc1C)C2 1792489928 CRAXYWZTDHTQKM-KQLJBOCNSA-N 399.451 -0.153 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1nc[nH]n1)C2 1793346691 HYJIJKGRHHIWPO-XPCVCDNBSA-N 393.469 -0.475 30 20 GBED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N)N1CCN(C)CC1 1795420031 SRTOXQCUOTVHKX-CUSZFKRNSA-N 377.489 -0.484 30 20 GBED COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1797968197 BMBSMJVKUDZVJL-QKPAOTATSA-N 392.456 -0.579 30 20 GBED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O 1798355447 ZIDYBHOJXLLZKC-ZSBIGDGJSA-N 386.412 -0.672 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)C2 1800781048 FTBIQOGYCZNQEJ-ZIVKBKJYSA-N 386.408 -0.808 30 20 GBED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1 1801435087 NCULXKKEUFTUPQ-MPTYRVRUSA-N 392.460 -0.194 30 20 GBED CC(=O)NCCC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812881136 UVXWZOGJZCWESN-HNAYVOBHSA-N 386.408 -0.298 30 20 GBED N#CC1(C(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](N)CCC(N)=O)sc3C2)CC1 1814802033 NVQYHFYLGSGBCG-UWVGGRQHSA-N 390.469 -0.048 30 20 GBED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830049524 AEBOVSMGGDYFML-HNAYVOBHSA-N 394.472 -0.093 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(C)C)C2)C1 1831388299 PZSDUAWFNOOYDE-QFBILLFUSA-N 382.457 -0.094 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccon3)C2)C1 1831391472 OYPLGMIKCXWBCI-KSSFIOAISA-N 377.397 -0.217 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1831433459 IKMQPGBIFHPDLL-DNVCBOLYSA-N 392.456 0.000 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832194032 WNPVCDWHSMPAQU-CQSZACIVSA-N 396.293 -0.569 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833573272 ADLUGTSNIIGRBO-KRWDZBQOSA-N 378.360 -0.514 30 20 GBED CNc1nsnc1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834753365 HRLXGGVGTMGOEH-HNNXBMFYSA-N 380.430 -0.437 30 20 GBED CC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837442055 MVWSSGIEBDBYCD-PYJSORCASA-N 380.445 -0.497 30 20 GBED C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840024615 FTTVFGMGENSHSF-MCGHTFFLSA-N 399.444 -0.647 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cccnc3)C2)C1 1840041093 PYJACMGNJBLIET-WUUFJKRQSA-N 399.403 -0.361 30 20 GBED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)S)CCO2)C1 1840160476 ICDRXXZLAXGJTJ-PBFPGSCMSA-N 387.502 -0.372 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1840844676 HRGOCBZPLBBPTR-PBHICJAKSA-N 376.417 -0.896 30 20 GBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)C(F)(F)C(F)(F)C(=O)O)C1 1841827972 QQGIROQGBWEABC-UHFFFAOYSA-N 380.250 -0.367 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2coc(S(=O)(=O)NC)c2)CC1 270093484 XRAFINBQRAXGPI-UHFFFAOYSA-N 382.442 -0.915 30 20 GBED C#CCN(CC#N)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 281962184 KNMTWMMXAJRUHV-JSGCOSHPSA-N 392.393 -0.296 30 20 GBED N#Cc1ccc(NC[C@H]2CC(C(N)=O)=NO2)nc1NC[C@H]1CC(C(N)=O)=NO1 289782856 XDYUVKKLNHOVGJ-NXEZZACHSA-N 386.372 -0.963 30 20 GBED CC/N=C(/O)N1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 329423663 FVRHHXYPTLSXQR-INIZCTEOSA-N 395.504 -0.222 30 20 GBED COC/C(O)=N/C1CN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C1 330130109 FCAHZIIYPNHHPX-UHFFFAOYSA-N 383.492 -0.725 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CO)c1C#N 349478466 SFDHFZXRBUSBID-VIFPVBQESA-N 379.464 -0.636 30 20 GBED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@H](O)CC[C@H]2C1 349492026 KOBMGYWMSQZQRT-GBJTYRQASA-N 393.531 -0.123 30 20 GBED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C[C@@H](C)O1 408124910 UPECKNWMERLXAW-BETUJISGSA-N 381.458 -0.002 30 20 GBED C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424510271 RRTKATVEJXDRQM-HNNXBMFYSA-N 394.449 -0.046 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C 437507197 KVEIXIPHTMWOSG-BBRMVZONSA-N 375.491 -0.082 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)N3C[C@H]4C(=O)NC(=O)[C@H]4C3)C2=O)cc1 458627382 GTXZXCXEXQWMNB-QLFBSQMISA-N 381.392 -0.032 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CS(=O)(=O)CCO2)c1 536640219 IKEXSVQGTMYJBA-ZDUSSCGKSA-N 388.467 -0.306 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCOC[C@H]1CCCO1 552685504 HPBAGSKOVWQYJQ-GFCCVEGCSA-N 378.433 -0.434 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)n1 568758993 ZRKWNFVOEMQVPD-GFCCVEGCSA-N 381.458 0.557 30 20 GBED COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 581072947 BBUNUMXTFYDZQK-JSGCOSHPSA-N 381.410 -0.375 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC(=O)N1 590979356 MZNZJWCSJOMAHD-LLVKDONJSA-N 386.412 -0.581 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@H](F)C2)s1 594636969 BKUUVTSELZTPNW-VIFPVBQESA-N 382.464 0.520 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 597376248 RYVIOGQNGDSLNP-OLZOCXBDSA-N 393.473 -0.699 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCNC[C@H]3C(C)C)CC2)c1C#N 600797659 NRUJWBHDTINQJQ-INIZCTEOSA-N 387.488 -0.295 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)N(C)CC(=O)Nc2ccc(C)cc2)CC1 728573233 MAHIOKRWWPAJJX-UHFFFAOYSA-N 399.495 -0.241 30 20 GBED C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734034046 COMGQZZMPMNBEL-NWDGAFQWSA-N 395.437 -0.079 30 20 GBED COC(=O)CN(CC#N)C(=O)[C@@H]1CCC[C@@H](C(=O)N(CC#N)CC(=O)O)C1 737605089 NVXAOXGBHDMZSM-CHWSQXEVSA-N 378.385 -0.245 30 20 GBED CC(C)(C)OC(=O)N1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@@H](C#N)C1 754386002 PHJWICKOXPVVDW-LBPRGKRZSA-N 377.401 -0.102 30 20 GBED C#Cc1cccc(NC(=O)CNC(=O)CNS(=O)(=O)c2cn(C)cn2)c1 756034820 QALSAPWGEUILLO-UHFFFAOYSA-N 375.410 -0.565 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 782340587 YRRJZJMOQWWREO-LNSITVRQSA-N 398.412 -0.369 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)c1cnnn1C 803398216 PGIKAYHEWQWNRY-JTQLQIEISA-N 377.382 -0.220 30 20 GBED C#CCN(C)CCCNC(=O)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 815861299 APDPLOWFHMBDAV-UHFFFAOYSA-N 398.471 -0.131 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)n1ncc(C#N)c1N 820451915 YKYNREMTJXESBK-MRVPVSSYSA-N 387.385 -0.476 30 20 GBED CCON(C)C(=O)CNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 846135844 VOJUOAQMVDHKJJ-UHFFFAOYSA-N 385.384 -0.088 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)c1ccc(C(=O)O[C@H](C)C(=O)NCC#C)nc1 919276237 SRYKAUHVJFLVPV-QWHCGFSZSA-N 385.376 -0.329 30 20 GBED N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cnc(C(N)=O)n2)[nH]1 1002090691 OEKJTNFZRWSKIN-RTXFEEFZSA-N 382.384 -0.861 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(c3cccc(F)c3C#N)C[C@H]2O)O1 1041347390 WYEPRNXMBRWNDO-DZUCGIPZSA-N 390.415 -0.001 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)c1cscn1 1109939385 KEKWTADPJOUEIG-MDZLAQPJSA-N 376.442 -0.766 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)CC1 1261312181 LQYIETMSUWLANZ-WBMJQRKESA-N 376.388 -0.842 30 20 GBED COC(=O)c1ccc(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c(C#N)n1 1261558410 GOWIHUAKVWQQCP-HUUCEWRRSA-N 380.426 -0.980 30 20 GBED Cn1nc2c(cc1=O)CN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CC2 1318933758 OANRIYAXJPAOJS-UHFFFAOYSA-N 387.421 -0.596 30 20 GBED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC2(C#N)CCOCC2)c1 1320476831 NFSODZXBZPKUSA-UHFFFAOYSA-N 394.453 -0.144 30 20 GBED C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1322764118 VCTGQWHDYGPADU-GFCCVEGCSA-N 379.442 -0.849 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC([C@@H](O)C(F)(F)F)CC1 1323996409 AAKBZAZIUYMMDW-LLVKDONJSA-N 386.392 -0.135 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCC(N(CC)S(C)(=O)=O)CC1)[C@H]1CCCO1 1329626985 SDPBGXFGVWUACV-HUUCEWRRSA-N 385.486 -0.444 30 20 GBED Cc1sc(=O)n(CCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1C 1342565530 GRVNFOZFFARUAJ-LBPRGKRZSA-N 385.467 -0.117 30 20 GBED Cn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1C(C)(C)CC#N 1518530560 YYZHBUOLKLIAHF-UHFFFAOYSA-N 389.460 -0.486 30 20 GBED N#C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 1571117377 KRFUQFLOMLKYFX-LLVKDONJSA-N 375.414 -0.093 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cnc(-c3nn[nH]n3)cn2)nn1 1573351831 VVRGIFHLLIWESR-GYSYKLTISA-N 393.415 -0.026 30 20 GBED C#Cc1ccc(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3cnn[nH]3)nc2)nc1 1575021249 CTNSZBDJFHFKDD-CQSZACIVSA-N 391.391 -0.236 30 20 GBED C=CCCn1cc(C(=O)N[C@H]2CCN(C(=O)CCOCc3cnn[nH]3)C2)nn1 1575099683 AVBGMAGTWCBADD-ZDUSSCGKSA-N 388.432 -0.090 30 20 GBED N#Cc1nc(=NC2CCN(CCNC(=O)CCCc3cnn[nH]3)CC2)cc[nH]1 1577719251 NIKIEDGEHZUPRD-UHFFFAOYSA-N 383.460 -0.096 30 20 GBED CCN(CCC#N)C(=O)CN1CC(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1577909204 HELONHNNUOVWNF-UHFFFAOYSA-N 385.432 -0.381 30 20 GBED CN(C)S(=O)(=O)C[C@H](Nc1cnc(C#N)c(-c2nn[nH]n2)n1)C(F)(F)F 1578996684 XIOZEADPSFQOAR-ZETCQYMHSA-N 391.339 -0.237 30 20 GBED N#Cc1cc(C(=O)NC[C@H]2COCCN2c2cncc(-c3nn[nH]n3)n2)c[nH]1 1581865594 LNLAWCFZBFDUPB-LBPRGKRZSA-N 380.372 -0.508 30 20 GBED C=CCC[C@H](CO)NC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1588578178 YBEMDSSWAAUTGS-GFCCVEGCSA-N 380.430 -0.412 30 20 GBED C=CCNC(=O)[C@H](C)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588657748 VUFDCKBZLFRTMU-NWDGAFQWSA-N 390.448 -0.750 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)Nc3nn(C)cc3-c3nn[nH]n3)CC2)c1C#N 1592432704 UGKHKRNICTUHJV-UHFFFAOYSA-N 396.419 -0.132 30 20 GBED C#CCOCCC(=O)NC[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)CCO1 1602729515 VNWLKCBYWOLNBG-CYBMUJFWSA-N 386.416 -0.674 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cnnn1C 1761483070 RGXGVZIJATZHOL-QMTHXVAHSA-N 397.440 -0.493 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N(C)C 1761502959 VDJLMIGJLBTVAH-NWDGAFQWSA-N 399.477 -0.905 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777824872 AICQZMHXWVKLRE-KUHUBIRLSA-N 398.423 -0.394 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1781391399 UIFBDKPWRKLUFJ-VQIMIIECSA-N 396.488 -0.051 30 20 GBED CCOC(=O)O[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782713659 WOCKAFGMRDJGER-SJCJKPOMSA-N 382.369 -0.534 30 20 GBED O=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CN1 1783162480 KXCQHUWVWAETRP-YTQMAXDRSA-N 391.472 -0.576 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1783565617 NZSLYGPZWVJHSS-IBGZPJMESA-N 397.391 -0.810 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c1 1784037269 COUPEUUCTZSZFJ-LIRRHRJNSA-N 385.424 -0.144 30 20 GBED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21 1784494492 RBDGNXFKEBBGMH-ULQDDVLXSA-N 384.473 -0.042 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCOC1)C2 1792491204 BINVXAZBADAFIF-BUVHPWJSSA-N 377.441 -0.529 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)CCC)C2 1793343980 GRDRXCXVHFJAPQ-WXQHOCMDSA-N 393.484 -0.081 30 20 GBED Cn1nncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1794227868 SKUTVYJBKOWZSS-AGGWBTHJSA-N 389.460 -0.700 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 1795468711 LEUOTPMNZQHOGC-VXIBKDFQSA-N 393.484 -0.663 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSC(=N)N 1795505416 KQZIOUKAUJVVBQ-OPDFLTKYSA-N 384.502 -0.224 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)NCC(C)C 1796465372 QTOODTJRPDEOJB-FZKCQIBNSA-N 395.500 -0.079 30 20 GBED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)n1ccccc1=O 1797937327 KAYBVRXZPXJSHV-ZUMXRPEOSA-N 387.392 -0.913 30 20 GBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1800980264 CZFNPILDDGWRTH-OEYIWLLWSA-N 392.481 -0.281 30 20 GBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1800999554 XQLZRZABWAPOFW-ZJOBFFGXSA-N 387.440 -0.239 30 20 GBED CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1830039057 PCJNVRSPJXKWHG-LJQANCHMSA-N 392.456 -0.873 30 20 GBED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056469 ANRZXWGXRVOANE-AUUYWEPGSA-N 394.472 -0.141 30 20 GBED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H](O)CN2)CC1 1831673201 IIEABSSQGZFHLL-HRCADAONSA-N 377.441 -0.583 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc[nH]n4)CCO3)C2)c1 1831766390 GNITYCDWJYQGKE-SFHVURJKSA-N 384.396 -0.007 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CN)CC2)CC1 1833076076 SCJVPEUXFTULHC-ARJAWSKDSA-N 377.489 -0.625 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834380804 IKUWUYXRCMPADE-VQIMIIECSA-N 390.440 -0.622 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4CCC(=O)N4)CCO3)C2)CC1 1835305211 WECDKYBCYCLCSQ-ACJLOTCBSA-N 376.413 -0.975 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)n[nH]4)C3)C2)CC1 1835343055 YPFNFQNDEMPGTH-KRWDZBQOSA-N 375.385 -0.511 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCNC1=N)CCO2 1835640397 UOKSWUZPTJNCGS-IBGZPJMESA-N 391.472 -0.914 30 20 GBED CN[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)C(=O)O 1835752451 QHRHPBOYJICQEI-UGSOOPFHSA-N 396.444 -0.945 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1F)CCO2 1836319430 GHDODKNTUAPUSZ-SFHVURJKSA-N 391.355 -0.621 30 20 GBED Cc1ncoc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041572 VGBMQLQRVZLXIA-QGZVFWFLSA-N 377.353 -0.859 30 20 GBED COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840319097 QIDKFGSFXLBPJI-SFHVURJKSA-N 379.413 -0.788 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1 1841891817 LDQNDKIVKPBHNP-LBPRGKRZSA-N 378.429 -0.685 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@H]3CCS(=O)(=O)C3)CC2)o1 29714644 AITOXGFUDQCAND-ZDUSSCGKSA-N 381.458 -0.378 30 20 GBED N#C[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCO1 266805562 DQMYPOUINTXSRS-AAEUAGOBSA-N 378.410 -0.562 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(=O)OC)o2)CC1 266985415 AYAGFHTWMQMUNY-UHFFFAOYSA-N 383.426 -0.488 30 20 GBED N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)c1 268033324 FHBXFLQBFAIBGK-UHFFFAOYSA-N 399.860 -0.417 30 20 GBED CC(=O)N[C@H]1CCCN(C(=O)CN2CCN(c3nccnc3C#N)C[C@@H]2C)C1 268268809 GVKKIOIWDMYPFA-HOCLYGCPSA-N 385.472 -0.014 30 20 GBED COc1ncncc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 272848935 HLGMETBAMVVGME-LLVKDONJSA-N 382.384 -0.177 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 286672767 OMGVRFSNHRGJRJ-UHFFFAOYSA-N 391.516 -0.434 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 292385289 UWRNROOJEKKJKY-NWDGAFQWSA-N 380.474 -0.134 30 20 GBED O=C(CC/C(O)=N/CCS(=O)(=O)N1CCSCC1)N1CCOCC1 328688799 BEMOFXJXUTWLBT-UHFFFAOYSA-N 379.504 -0.040 30 20 GBED CS(=O)(=O)N1CCN(CC(=O)N2CSC[C@@H]2/C(O)=N/CC2CC2)CC1 329890898 GZSLBTGMPNSXEC-CYBMUJFWSA-N 390.531 -0.168 30 20 GBED C[C@]1(O)C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2cccc(C#N)n2)C1 349538651 GXONTINAYPQENW-XBXGTLAGSA-N 388.471 -0.082 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)CCO1 409484697 HRBMWHNKQUKUGQ-AHIWAGSCSA-N 387.421 -0.199 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@](O)(C4CC4)C3)CC2)c1C#N 410786704 DRKORDZCODMRLI-LJQANCHMSA-N 386.456 -0.378 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCS(=O)(=O)C1 482135417 FAGWTXDIKHGNIZ-YPMHNXCESA-N 385.467 -0.082 30 20 GBED C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN(C)C 565607421 INDDCVIVHDDMFM-QWHCGFSZSA-N 395.485 -0.592 30 20 GBED CC(C)(C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)NC1(C(N)=O)CC1 578206639 ZODMLVIOPJJECH-UHFFFAOYSA-N 386.455 -0.437 30 20 GBED C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 590986011 IEJYEKVBOMFDBP-RDJZCZTQSA-N 383.452 -0.040 30 20 GBED Cc1nsc(N2CCN(C(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)CC2)c1C#N 597669874 ZPRKZGISBFQROY-GFCCVEGCSA-N 398.514 -0.113 30 20 GBED N#CCCN1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 602205440 FUXHPDBDSYKKPP-UHFFFAOYSA-N 385.472 -0.037 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)C1=O 608232229 IZYHOLNRHPDCFQ-JQWIXIFHSA-N 388.384 -0.993 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 726200940 PMQOALDSUGMTNX-LBPRGKRZSA-N 396.469 -0.190 30 20 GBED C[C@H](C#N)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 735504982 PSSCOGPLCBOVEJ-LLVKDONJSA-N 375.414 -0.141 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C3OCCO3)CC2)c1=O 738139017 XEDMPLORGAHHIS-UHFFFAOYSA-N 378.429 -0.414 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cccc(NC(C)=O)c2)CC1 761038616 OOELJCSXQFFZLB-UHFFFAOYSA-N 393.469 -0.331 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 829151769 QOKRPBSTTFYOQK-DZGCQCFKSA-N 375.429 -0.472 30 20 GBED C#CCOc1ccc(CNC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)cc1 841911776 ZCKCXFVVZHMEHN-UHFFFAOYSA-N 392.481 -0.173 30 20 GBED N#C[C@@H]1CNC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 843461867 XQTXEXFTMGEPSH-SKDRFNHKSA-N 387.259 -0.045 30 20 GBED C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(O)nn1 848960621 LKCZEUYSFOTROX-UHFFFAOYSA-N 376.460 -0.013 30 20 GBED CC(=O)NCCN(C)C(=O)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 867620849 UNRCUOAXFBVGTR-UHFFFAOYSA-N 375.404 -0.060 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)C[C@H]21 975263611 UASUMVBSVHFBJW-VQHPVUNQSA-N 390.484 -0.589 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O 1000642940 UKVLRPSDZMACSC-MRLBHPIUSA-N 390.440 -0.280 30 20 GBED N#Cc1sc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nc1Cl 1041347278 UJMOVTLIYZEBIZ-LURQLKTLSA-N 385.833 -0.633 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCc2nnnn2C)C1 1070196382 UXIXMUVNLULGFP-KBXIAJHMSA-N 387.448 -0.676 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@H]1OC 1081686704 GRGOBTMMICEURN-LVQVYYBASA-N 379.457 -0.068 30 20 GBED CN(C)S(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 1092847300 FZMNSQAFSQJHQK-RDBSUJKOSA-N 378.458 -0.144 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1103441662 CUBWSHJWXAKOKM-FPCVCCKLSA-N 377.489 -0.056 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110156027 MVYIECAPSZXGBZ-RDBSUJKOSA-N 376.461 -0.389 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](CC)NC(C)=O 1111054639 LHMPKEHKZXVGJQ-TUVASFSCSA-N 379.461 -0.366 30 20 GBED C#CCNC(=O)CNC[C@]12CCC[C@H]1CN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 1112423721 GXMXAMDRTKVVMA-YZLZLFLDSA-N 376.501 -0.327 30 20 GBED CN(C[C@@H](O)CN(C)c1nccnc1C#N)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1125352296 CDPGJJYFNFBPDS-RZLSGREXSA-N 375.429 -0.345 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 1322622907 QANJDUQNZLDHJT-NSHDSACASA-N 375.351 -0.630 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)NCC2CCC(C#N)CC2)CC1 1324140261 ZHKPYMXURJRYSC-UHFFFAOYSA-N 391.472 -0.372 30 20 GBED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 1325890364 KYMSRGUBEVEPLF-UHFFFAOYSA-N 380.426 -0.097 30 20 GBED C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 1325906162 BJWRFTJHIKNTNV-MRXNPFEDSA-N 378.473 -0.444 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N(C)Cc3cn(C)nn3)CC2)c1C#N 1327444321 MFJWMUWDSIJKHG-UHFFFAOYSA-N 388.457 -0.241 30 20 GBED CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC#CCO 1327636532 WRAAIHSAIGIVGK-AWEZNQCLSA-N 386.857 -0.015 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)C(=O)NCCCn3cncn3)CC2)nc1 1329960800 FRRSZRHQSPCSBQ-UHFFFAOYSA-N 382.428 -0.164 30 20 GBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(S(=O)(=O)C2CC2)CC1 1341328877 ZQBAUXYBDMKBSU-LBPRGKRZSA-N 380.474 -0.318 30 20 GBED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1)C(C)C 1349165387 HPBRKEMXTPIWLL-OWCLPIDISA-N 390.484 -0.126 30 20 GBED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)C2CC2)C1)C(=O)N1CCS(=O)(=O)CC1 1515065973 DAIBNWPAKNHMNP-UONOGXRCSA-N 381.454 -0.399 30 20 GBED CC(C)N(CC(F)(F)F)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)O)c1=O 1573546338 UXKAMZNTAHHKLJ-UHFFFAOYSA-N 376.291 -0.234 30 20 GBED C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1573573041 LLFGAQDHGXWJBL-NSHDSACASA-N 385.432 -0.335 30 20 GBED C#CCNC(=O)CC(=O)N1CCO[C@@](C)(CNC(=O)CCCc2cnn[nH]2)C1 1575004830 MYPNDTSWKNLCHO-SFHVURJKSA-N 390.444 -0.999 30 20 GBED C=C[C@@](C)(O)CC(=O)NCC1=CCN([C@H](C)C(=O)NCc2cnn[nH]2)CC1 1575071797 CQIDQDBHIHECOC-FZKQIMNGSA-N 376.461 -0.115 30 20 GBED COCCN(CCNC(=O)c1c[nH]c(C#N)c1)c1ccc(-c2nn[nH]n2)nn1 1579800042 BYSZZQCCZNRJAM-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)CCO1 1581857285 WRTKRAAXGGXAEW-KGLIPLIRSA-N 375.414 -0.607 30 20 GBED C#CCN(C(=O)CNC(C)=O)C1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 1588348186 LDCZRZRUSJMIHP-UHFFFAOYSA-N 383.416 -0.777 30 20 GBED C#CCNC(=O)CNC1CCC(N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1588354546 PKYMTYYLUVZUJM-UHFFFAOYSA-N 384.444 -0.083 30 20 GBED C=CCCOCC(=O)N[C@]1(CO)CCCN(c2cncc(-c3nn[nH]n3)n2)C1 1588616632 KQGFMPZHODJMLA-QGZVFWFLSA-N 388.432 -0.303 30 20 GBED CN(CCC#N)C[C@@H](O)CN[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1=O 1591062351 WOIKFMKNENBCOR-IRXDYDNUSA-N 398.471 -0.236 30 20 GBED Cn1c(=O)[nH]c(N2CCN(c3ccc(C#N)cc3F)CC2)c(-c2nn[nH]n2)c1=O 1592542946 CZEBFNMDHGJOGY-UHFFFAOYSA-N 397.374 -0.409 30 20 GBED Cc1cc(NC(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)O)C2)n(CCC#N)n1 1600244761 HJRDETXTQUWWIC-YVEFUNNKSA-N 375.385 -0.007 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nn[nH]n4)nc3)C2)c1 1606357203 JRJRYMBILCVZDN-KRWDZBQOSA-N 379.384 -0.167 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)C1 1639946972 ZIAFQXYKWLRRGH-RDTXWAMCSA-N 376.388 -0.395 30 20 GBED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2 1779395830 HFBBDZAWYBVFCF-DNVCBOLYSA-N 394.468 -0.490 30 20 GBED CC(=O)N[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C(C)(C)C 1783558820 ZPSXSLLKFNEGLG-LPHOPBHVSA-N 393.440 -0.545 30 20 GBED Cc1cc(C)n(CCC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n1 1783567012 CPRJLRLZDRDUKJ-IBGZPJMESA-N 388.424 -0.192 30 20 GBED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN(C)C(=O)C(=O)O)CCO2 1784202044 YCIOKFMHFYQKSQ-IBGZPJMESA-N 393.440 -0.447 30 20 GBED C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1784519154 YDEZHAQTSUFKEV-QPSCCSFWSA-N 385.486 -0.049 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCO)NC(=O)OC(C)(C)C 1793088258 YKUBGEVARGLSIG-FQLMCAECSA-N 395.456 -0.515 30 20 GBED Cc1noc(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1793886896 GFXMYQPUFWBYTP-IVWMJMPLSA-N 375.381 -0.488 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCNC(=O)OC(C)(C)C 1799260367 LISNZIGGDBQNIP-XOIINTDNSA-N 395.456 -0.250 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccnn2c1 1800010364 MNORLJRCOWFUNN-ZSBFGKGUSA-N 382.376 -0.375 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2 1800454095 YAQINTOBTJSSER-LOUJCGABSA-N 395.456 -0.515 30 20 GBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1802024229 BXNBSIFKXFGCFV-GNXNZQSNSA-N 375.347 -0.332 30 20 GBED CN(CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCC#N)CC2)C(=O)C(=O)O 1824670417 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-0.713 30 20 GBED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840920649 CQVSKLMDLMBOSQ-BEFAXECRSA-N 394.472 -0.121 30 20 GBED COC[C@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842920459 OHODFLQYODGETB-HNNXBMFYSA-N 393.488 -0.377 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)CC2)CC1 24695957 JGUIXCGBPISAGF-UHFFFAOYSA-N 377.470 -0.192 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1 264990794 JTORRUZAJBGGLH-CYBMUJFWSA-N 388.390 -0.319 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)C1=O 268003189 NJOSJGDZEUJFTN-ZIAGYGMSSA-N 380.445 -0.031 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(O)CCN(C)CC1 268933021 SYLJUXYBVBJZAT-ZDUSSCGKSA-N 380.470 -0.202 30 20 GBED CCCn1c(=O)/c(=C\c2ccnc(OC)n2)s/c1=C(\C#N)C(=O)NC1CC1 297661255 YYOTVRWDWCQABZ-IZLFASKTSA-N 385.449 -0.100 30 20 GBED N#Cc1cccc(CS(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 298441798 RPEQZMRTBUROEZ-UHFFFAOYSA-N 392.481 -0.136 30 20 GBED CCC(=O)N1CC[C@@H](/N=C(/O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 330000469 WLKHRHCLLDTPMR-OAHLLOKOSA-N 381.477 -0.612 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C 349474933 DPDKPAAJTFNSCI-BSAWIPCISA-N 399.560 -0.231 30 20 GBED C[C@H]1[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)CC[S@@]1=O 349481245 ODZDQLGOZSLXFN-DMDKVIGKSA-N 397.544 -0.477 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 349549418 GTTZSPJGFPKKNX-CHWSQXEVSA-N 397.544 -0.206 30 20 GBED Cn1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)c(C#N)c(=O)n(C)c1=O 362339808 IMYNEQZVAMDUEC-UHFFFAOYSA-N 384.396 -0.503 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@@H]5O)CC2)c1C#N 410751631 XOSBMWGKJWYMEK-AZGDMVHKSA-N 398.467 -0.524 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccn(CC(N)=O)n1 480660486 OSESAKNJNGERHS-SNVBAGLBSA-N 376.398 -0.454 30 20 GBED C=CCOC[C@H](NS(=O)(=O)c1cnc2nc(O)nc(O)c2c1)C(=O)OC 481586242 XTYKLSKNHCLTQE-JTQLQIEISA-N 384.370 -0.542 30 20 GBED CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 558519725 BVQMWSKFJLPQDV-UHFFFAOYSA-N 391.413 -0.867 30 20 GBED CC(C)(C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CC(O)(CC#N)C1 570410434 OCZXYOXQOPHVLK-UHFFFAOYSA-N 398.466 -0.084 30 20 GBED C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN(C)C 570738937 OJZZKSNOTZKNPD-CHWSQXEVSA-N 395.485 -0.592 30 20 GBED COc1cncc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 593534075 FHLDUXNMFIYULJ-UHFFFAOYSA-N 397.395 0.510 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCc2cn(C)nn2)cc1 594617150 MVLWWZGCVNIGMA-NSHDSACASA-N 398.470 -0.126 30 20 GBED C=CCCSCCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 595112190 ARACAIFAGDRVQW-UHFFFAOYSA-N 391.453 -0.004 30 20 GBED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N(CC#N)CC(=O)O)CC2)c1 738732790 MSMHOINJESCPIA-UHFFFAOYSA-N 394.453 -0.116 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCCN1CCNC(=O)C1 765141787 JDHBDJDXPGPNJL-UHFFFAOYSA-N 393.469 -0.947 30 20 GBED COC(=O)c1coc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 766454222 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C#CCNS(=O)(=O)N1CCN(Cc2cnc(N3CCOCC3)s2)CC1 895915594 CWFMCDHPLPPFOB-UHFFFAOYSA-N 385.515 -0.435 30 20 GBED C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)c2ccc(C#N)[nH]2)C1 960265719 CYNDTBGASUWELI-BQDHKBFISA-N 385.424 -0.147 30 20 GBED C#Cc1cncc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H]2OCCO[C@H]2C)c1 960559650 LLLZVKAFAUOLJU-RUGDWHBFSA-N 385.420 -0.081 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cncc3ncn(C)c23)C1 968370644 KVYBNDNLLHZVIB-FWYOQMDTSA-N 385.424 -0.139 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)Cc2cnc[nH]2)C1 990973876 PIIIZXQVTAHEEH-WCVJEAGWSA-N 385.428 -0.297 30 20 GBED O=C(C#CC1CC1)N[C@@]1(CO)CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1055938722 KZSRARBGLGOXMR-YTXYEVPYSA-N 376.453 -0.079 30 20 GBED C=CCNC(=O)CN1CC(N2C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2=O)C1 1108555796 ZCYONRREXRYPAH-HEGZZJKFSA-N 388.468 -0.887 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)NC 1109374372 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C#CCOCCC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[nH]n2)C[C@@H]1O 1573286609 GEHHQUBQKJBVTI-NEPJUHHUSA-N 391.457 -0.273 30 20 GBED COCCN(CCNC(=O)c1c[nH]c(C#N)c1)c1cnc(-c2nn[nH]n2)cn1 1579800301 IREYPZRMXPNXOX-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED N#C[C@@H]1CN(c2nnc([C@@H]3CCCN3)n2CC(=O)N2CCOCC2)CCO1 1580042097 NGCJGQFYUFSNMY-KGLIPLIRSA-N 375.433 -0.710 30 20 GBED N#Cc1cn(CCC(=O)N2CSC[C@@H]2C(=O)N2CCCC2)c(=O)nc1O 1587611325 MUALLGDEMIWNRI-GFCCVEGCSA-N 377.426 -0.265 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1588721718 LVLCYRJWCLVADV-UPJWGTAASA-N 386.416 -0.691 30 20 GBED CN(CCC#N)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[nH]n3)cc2)n1 1591062320 VERYHWUXXCRRSG-UHFFFAOYSA-N 380.372 -0.183 30 20 GBED C=CCOCC(=O)N1CC[C@@]2(C1)CN(c1ccnc(-c3nn[nH]n3)n1)CCO2 1602868592 QMTANGPQUDZQQL-KRWDZBQOSA-N 386.416 -0.333 30 20 GBED CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1779037233 ORTUZMHDAZTZIV-QGZVFWFLSA-N 379.486 -0.396 30 20 GBED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1784952745 BFUXEZADZHVURB-KKUMJFAQSA-N 390.440 -0.679 30 20 GBED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O 1800194384 ZEPFVBOEUONBNQ-DLTLXFJOSA-N 394.497 -0.213 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CNC(N)=O)sc2C1 1828317378 FPBXHGIQZYOYKA-VHSXEESVSA-N 379.442 -0.238 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1831418595 FDXGMBJATFEEDB-SUNYJGFJSA-N 397.428 -0.858 30 20 GBED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)CNC(=N)N)CC2)CC1 1833705205 QMIBEBRNVFIATC-UHFFFAOYSA-N 396.561 -0.040 30 20 GBED Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)n1 1833875945 TXHZEQLDBRFTOH-QGZVFWFLSA-N 376.417 -0.565 30 20 GBED CN(C)C(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835098804 QNVRPJJRDYSRQV-OAQYLSRUSA-N 399.447 -0.417 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1835362033 BWDZTJCRFKMYGQ-PBHICJAKSA-N 399.469 -0.676 30 20 GBED C[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1836759886 DJSVNCFJOJHYNF-ZRGWGRIASA-N 378.425 -0.033 30 20 GBED C[C@@H](CC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1836912428 RFBVOZGLHXKHAH-ZDUSSCGKSA-N 393.440 -0.416 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C2)C1 1839811588 CJQNISBURWWSCG-KKSFZXQISA-N 399.447 -0.106 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1840166702 YFOATYKMZCPUHP-IBGZPJMESA-N 393.440 -0.302 30 20 GBED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841234486 IEEYXSABCHMZEG-LBPRGKRZSA-N 383.445 -0.030 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2 1845251905 UJRITTFTZDGQGC-GFCCVEGCSA-N 379.417 -0.458 30 20 GBED C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)c2nnc[nH]2)CC1 274464914 LTQLMHUAWSWKMG-GFCCVEGCSA-N 390.425 -0.023 30 20 GBED C=CCSCCNC(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1 285532010 BBYXFIWFVPADNQ-UHFFFAOYSA-N 383.474 -0.104 30 20 GBED Cc1nsc(N2CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)c1C#N 292155298 VRSIFJNAWUSGOG-UHFFFAOYSA-N 398.514 -0.113 30 20 GBED COCC1(O)CCN(/C(O)=N/CCS(=O)(=O)N2CCSCC2)CC1 328812995 FVKPEPHPNNZABA-UHFFFAOYSA-N 381.520 -0.248 30 20 GBED Cc1nn(C)c(NS(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)c1C 349508191 WJMDGUKVVVJDQP-UHFFFAOYSA-N 375.476 -0.046 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](O)CC(C)(C)C1 349526505 TWDMLZZMMIRWFI-ZDUSSCGKSA-N 381.520 -0.026 30 20 GBED N#CCC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)Nc2ccon2)C1 349607679 MKFUVMBWEXUEMW-UHFFFAOYSA-N 378.432 -0.513 30 20 GBED COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 367165674 PAICTROFDIGTAB-KGLIPLIRSA-N 396.535 -0.162 30 20 GBED C=CCN(CCOC)C(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 410909578 MEAZGZBQDWGNOR-UHFFFAOYSA-N 375.429 -0.510 30 20 GBED O=C(NCC#Cc1ccccc1)C(=O)Nc1ccn(CCN2CCOCC2)n1 446742995 CKDVWBHPXGLWQC-UHFFFAOYSA-N 381.436 0.322 30 20 GBED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)CCOC(C)C)CC1 475740599 CPMRGRBWIRDPLT-UHFFFAOYSA-N 376.479 -0.629 30 20 GBED CN(C)C(=O)COC1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 482234007 JIUPGDIHWBORBC-UHFFFAOYSA-N 394.453 -0.192 30 20 GBED Cc1nnc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 554545674 DVCGXUQHKSZSHP-UHFFFAOYSA-N 388.457 -0.275 30 20 GBED N#Cc1ccc(CNC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)c(F)c1 591350857 ITVBDBWREVEHHI-UHFFFAOYSA-N 381.433 -0.174 30 20 GBED COCCNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 599942804 CFLPSHUZPMEFQU-ZDUSSCGKSA-N 396.425 -0.699 30 20 GBED C#CCNC(=O)CN1CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1 728573211 ULDWRKWVPZENDV-UHFFFAOYSA-N 380.470 -0.920 30 20 GBED N#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 731235345 PAAGWNQUVJCWNW-UHFFFAOYSA-N 385.373 -0.357 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)CC1 741211971 NEVGYSBLRCJODW-KRWDZBQOSA-N 391.516 -0.042 30 20 GBED CCN(CCC#N)C(=O)COC(=O)c1ccc(S(=O)(=O)NCCO)s1 745146625 UKGVTWSTVCSEQS-UHFFFAOYSA-N 389.455 -0.062 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)COCCNC(=O)c2ccccc2)CC1 751505277 KFQNULBLJLWKOW-UHFFFAOYSA-N 386.452 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C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCC(=O)NC 1110471301 MGHDDUHEYQRGFH-MCIONIFRSA-N 379.461 -0.364 30 20 GBED CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C(=O)NC1CCN(CC#N)CC1)CC2 1117327129 WJBUGDOAZOLCIT-JKSUJKDBSA-N 378.473 -0.131 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCC(CNS(C)(=O)=O)CC2)n(CCC#N)n1 1117456497 RBRISYZFBHLKAX-UHFFFAOYSA-N 396.473 -0.169 30 20 GBED N#Cc1cccc([C@@H]2CN(C(=O)C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)CCO2)c1 1117559407 IEGVOIZMLORBMG-PMPSAXMXSA-N 386.408 -0.393 30 20 GBED C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(F)(F)F 1317928794 SSFJFIGBYGHCIB-MRVPVSSYSA-N 392.359 -0.092 30 20 GBED COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1318069143 ODQQVVZCIIFKBJ-HIFRSBDPSA-N 384.392 -0.199 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](OCCOC)C[C@@H](CO)C2)CC1 1322802000 DFVQHWAWVDOHGB-WBVHZDCISA-N 383.489 -0.375 30 20 GBED CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)NCc2cccc(OCC#N)c2)O1 1323495347 RFIOKZARCJUNJR-JKSUJKDBSA-N 388.424 -0.043 30 20 GBED CN(C(=O)C(=O)N1CC[C@](O)(CC#N)C1)[C@@H]1CCN(CC(F)(F)F)C1=O 1326248046 GJYCHANQEQBGMM-QMTHXVAHSA-N 376.335 -0.515 30 20 GBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1326580271 DDYLEZKSADWPDW-QZTJIDSGSA-N 386.452 -0.189 30 20 GBED CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)NCCC#N)cn2)CC1 1339408184 URIPVDCTUXVTEH-UHFFFAOYSA-N 380.430 -0.868 30 20 GBED C=CCOCc1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CC 1341114577 YCNYTXYDMFSMIT-UHFFFAOYSA-N 378.477 -0.019 30 20 GBED C#CCSCCNC(=O)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 1343799872 KLDLTEAMULBDHM-GOSISDBHSA-N 388.449 -0.160 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)C1 1345879291 DLFHMQPUJODOMW-GJYPPUQNSA-N 378.473 -0.252 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(CO)(CO)CC1 1471743405 VKSYJCKNDSFWKM-ZDUSSCGKSA-N 381.454 -0.182 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N(CCC(=O)OC)CC(=O)O)cc1 1573327071 CFSHYXSMCFYYND-UHFFFAOYSA-N 382.394 -0.312 30 20 GBED C=CCCO[C@@H](C)C(=O)N[C@H]1[C@@H]2CN([C@H](C)C(=O)NCc3cnn[nH]3)C[C@@H]21 1575099844 FPRFXMNOXLWVJC-CQOGHXNDSA-N 376.461 -0.163 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@]1(CO)CCCN(c2nccnc2-c2nn[nH]n2)C1 1588355503 IZILNYGJMILDKV-SJCJKPOMSA-N 386.416 -0.858 30 20 GBED C=CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 1588658954 FVVXFLUMNFJULI-UHFFFAOYSA-N 391.457 -0.525 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1781400616 OBNPXLAVSPCPFS-KBXCAEBGSA-N 394.476 -0.543 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cccn4nccc34)C2)C1 1782335324 DVFMANJAESQKDC-LJQANCHMSA-N 382.376 -0.134 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1 1784576148 WAQXQPPEAZXIOX-QTVXIADOSA-N 381.429 -0.334 30 20 GBED Cn1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cccc1=O 1785872614 IDZVJOFPYQNCQJ-YDHLFZDLSA-N 387.392 -0.933 30 20 GBED COc1ccnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1 1788892698 QUKMAHHVHKLBDC-NOLJZWGESA-N 387.392 -0.229 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC12CCCN1CCC2 1799213348 BYKGPACVJJOZTL-CCWDJLKJSA-N 389.452 -0.318 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)C(O)O)[C@H]1c1cccnc1 1802920248 LVUODQXQQMOBOS-QLFBSQMISA-N 377.441 -0.029 30 20 GBED O=C(O)C#CC(=O)N1CCC2(CCCN(C(=O)CN3CCOC3=O)C2)CC1 1805768550 RKTISSDBZQVAJE-UHFFFAOYSA-N 377.397 -0.242 30 20 GBED CN(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCC#N)CC2)C(=O)C(=O)O 1824670419 ZQLVNZIVDXIVEJ-VIFPVBQESA-N 393.425 -0.098 30 20 GBED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830048849 MBXZBBAPIPTYBL-DNVCBOLYSA-N 396.488 -0.074 30 20 GBED CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064746 PDZNITNAMHNDHM-GOSISDBHSA-N 380.445 -0.481 30 20 GBED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)no1 1834350562 BYVYUOCGPKWVDI-KRWDZBQOSA-N 377.353 -0.859 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@H](NC)C(=O)O)CCO3)C2)C1 1835752211 PEEOHIFFIJMPPN-KXBFYZLASA-N 395.456 -0.528 30 20 GBED Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)n1 1836066153 MCOXIGVALZVBBJ-GOSISDBHSA-N 391.428 -0.073 30 20 GBED Cc1nc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)o1 1838007702 PLIMZCJGKYVBEP-GOSISDBHSA-N 391.380 -0.551 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)cc1)CCO2 1838971650 KLCDYNIFUKXWHO-LJQANCHMSA-N 388.376 -0.450 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839076657 MBVXNTRECTVAGR-MPGHIAIKSA-N 399.513 -0.915 30 20 GBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 56139965 OGDKVDZUQQQPPE-NSHDSACASA-N 394.496 -0.302 30 20 GBED CC(C)NS(=O)(=O)CCNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 268190482 SDMFTRXBUIZGOU-CYBMUJFWSA-N 395.489 -0.104 30 20 GBED CN(CC/N=C(\N)NCCCN1CCOCC1)S(=O)(=O)c1cccs1 269391767 SHQVBEKQXNPYBV-UHFFFAOYSA-N 389.547 -0.005 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(OCC(=O)OC)c1 272997328 UCPRSZJYAYBOSA-UHFFFAOYSA-N 384.410 -0.106 30 20 GBED N#Cc1cncc(S(=O)(=O)NCCS(=O)(=O)N2CCSCC2)c1 289870531 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C[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)CCN1c1nccn2cnnc12 553966346 HGIHJACRYHSTLH-GFCCVEGCSA-N 381.404 -0.492 30 20 GBED CN(C)C[C@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 558898603 HSTVFGCUDOBGND-KRWDZBQOSA-N 393.469 -0.619 30 20 GBED COC(=O)CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 563423673 OIRIAQSOFYKTPY-UHFFFAOYSA-N 375.428 -0.376 30 20 GBED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)cc1 608911425 FJSJRNKGUPCPHH-UHFFFAOYSA-N 398.444 -0.815 30 20 GBED C=CCOC[C@H](NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)OC 619506518 JNWMFXJREVILMJ-LBPRGKRZSA-N 378.428 -0.644 30 20 GBED CCN1CCC[C@H]1CN1C[C@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)CC1=O 736572511 UZBUOTHJWKBCFO-MNOVXSKESA-N 398.431 -0.267 30 20 GBED C=CCS(=O)(=O)CCNC(=O)NCC1CCN(S(=O)(=O)CC)CC1 754252148 BUTGCQRDIPYPCS-UHFFFAOYSA-N 381.520 -0.052 30 20 GBED Cn1cnc(S(=O)(=O)NCC(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)c1 756451775 LMPWVHUHFLMQRD-CQSZACIVSA-N 377.382 -0.660 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)CC1 760873592 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FYXWSRHGTAUNRJ-ZIAGYGMSSA-N 394.399 -0.202 30 20 GBED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNCP(=O)(O)O)C2 1782196514 KGRPQAHTRZGFLM-CZUORRHYSA-N 389.389 -0.199 30 20 GBED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1783194750 HYUDLZSNCUOUMK-MLGOLLRUSA-N 388.415 -0.380 30 20 GBED CC(C)(C)n1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)nn1 1783566415 AUQVXHBARJOGTM-GOSISDBHSA-N 389.412 -0.435 30 20 GBED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1784383149 RVTOVIYPTSXJTA-YDHLFZDLSA-N 386.408 -0.106 30 20 GBED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21 1786859385 FTCFLBOQWAYRAL-JYJNAYRXSA-N 396.488 -0.743 30 20 GBED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)ccn1 1791077300 UXPBGIWQIWLLIB-KKUMJFAQSA-N 387.392 -0.229 30 20 GBED COC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1797966391 OHMIJNGRHMEXBZ-KYHPRHEASA-N 377.441 -0.860 30 20 GBED COCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798693923 GHQSDVSHCRBTLG-XOIINTDNSA-N 376.413 -0.247 30 20 GBED C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1)n1ccnn1 1825670475 DEQUWBMTANTEIL-VHSXEESVSA-N 388.409 -0.004 30 20 GBED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cc(C)c(O)nc3=O)sc2C1 1827994613 PVHVXIRFWXDKTO-SNVBAGLBSA-N 387.421 -0.041 30 20 GBED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)n1ccnn1 1831221166 GVEIZULATUOLRE-KXBFYZLASA-N 387.440 -0.291 30 20 GBED C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1831595560 IDQFKUZAVJTDHV-FZKQIMNGSA-N 380.445 -0.496 30 20 GBED CC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837560221 LKUDKZIZPCQQJB-MPNBXSRTSA-N 393.440 -0.074 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839862009 QVLNDNDLTLRDFD-DOTOQJQBSA-N 387.502 -0.337 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839867255 HGFLIUKSLNOLGN-VCBZYWHSSA-N 395.456 -0.830 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1840157993 FKAPZCKSQPJQLE-DYVFJYSZSA-N 380.470 -0.206 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1840167464 QOEFPBXWISSOFY-GOSISDBHSA-N 376.413 -0.011 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1 1841891334 KAAFDRLEBWHZAN-UHFFFAOYSA-N 390.444 -0.977 30 20 GBED C=CCC(F)(F)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843235678 NOHUQDBTNHACKZ-UHFFFAOYSA-N 393.354 -0.159 30 20 GBED NC(=O)CC[C@H](N)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844300092 LJMFVKGSDQXLKS-OABHHXFQSA-N 395.460 -0.688 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N(CC(=O)OC)CC(=O)OC)cc1 68360087 YLLOFMPJPFLXCA-UHFFFAOYSA-N 382.394 -0.614 30 20 GBED CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 287870631 LROOWOYFWAXGNU-UHFFFAOYSA-N 389.231 -0.075 30 20 GBED C=CCCOCCNC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 289495780 YRQNPZDYQZMAET-UHFFFAOYSA-N 375.429 -0.462 30 20 GBED C[C@@H]1C[C@@H](/N=C(/O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CCO1 329079481 BZIOUBJXTAEVHT-CABCVRRESA-N 389.522 -0.422 30 20 GBED CN(c1ccn(C)n1)S(=O)(=O)CCCS(=O)(=O)N1CC(C)(C#N)C1 349472569 GLBQYUGVACJIKJ-UHFFFAOYSA-N 375.476 -0.249 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[S@](=O)[C@@H](C)[C@@H]1C 349474932 DPDKPAAJTFNSCI-BADSZBLNSA-N 399.560 -0.231 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)[C@@H](C)C1=O 349479642 UZUDDHGZSYBTMB-LBPRGKRZSA-N 380.492 -0.956 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCN(C(C)C)CC3)CC2)c1C#N 410837559 VRMDUEXHYHBTFH-UHFFFAOYSA-N 387.488 -0.199 30 20 GBED CNC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 430444929 IOAYYWBXHRZBHJ-LJQANCHMSA-N 395.423 0.371 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)NCC(=O)N2CCc3ccccc3C2)n1 444582559 PEQZJOWQKYJEJY-UHFFFAOYSA-N 380.408 0.436 30 20 GBED CC(C)[C@H](NS(=O)(=O)N(C)CCC#N)C(=O)N(C)Cc1nnc2n1CCC2 480620966 CRLAHDAOHNADOD-HNNXBMFYSA-N 397.505 -0.113 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCS(=O)(=O)C1 482135415 FAGWTXDIKHGNIZ-WCQYABFASA-N 385.467 -0.082 30 20 GBED Cc1cc(NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)nn1CCC#N 505026117 CZMLSUYPIDMQCC-CYBMUJFWSA-N 396.473 -0.028 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@H](CC(N)=O)C2CCOCC2)CC1 542568125 FJVNTHQYJTYFFH-IAGOWNOFSA-N 379.505 -0.061 30 20 GBED N#CC1(CS(=O)(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 545913945 KBRVHHRVNLINOV-UHFFFAOYSA-N 376.438 -0.018 30 20 GBED CC(C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 572735077 PHHURIPQUIJWIO-NSHDSACASA-N 388.471 -0.320 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)CC1 595206053 PNAGSLMDWMBFDA-QGZVFWFLSA-N 398.467 -0.465 30 20 GBED N#CC1(NS(=O)(=O)c2ccc(S(=O)(=O)N[C@H]3CCNC3=O)cc2)CC1 595950912 OHBOBBGMYJLCNH-LBPRGKRZSA-N 384.439 -0.812 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(c2cnccc2C#N)CC1 596749327 QSGZEFFLGYGDCB-DZGCQCFKSA-N 379.442 -0.403 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 732079023 JMMFSHJMSONIMB-IBGZPJMESA-N 389.544 -0.219 30 20 GBED N#Cc1ccc([C@H](N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C(=O)O)cc1 739104557 BRHFDUIIGXVIPR-XHSDSOJGSA-N 379.438 -0.229 30 20 GBED C#CCNC(=O)CN1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 741791036 NXXZWQSHKKVZCS-UHFFFAOYSA-N 378.498 -0.360 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2c(C)nn(C)c2C)CC1 761038471 VLQXSYVDKKDEDE-CQSZACIVSA-N 382.490 -0.551 30 20 GBED C#CCCN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 763033368 QNXACKQBWTZBPR-AWEZNQCLSA-N 392.481 -0.380 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(CC(=O)O)cc1 771890763 HRSSJKUUABRDGY-UHFFFAOYSA-N 394.409 -0.586 30 20 GBED C#C[C@@H](NC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)[C@H]1CCCO1 773800372 UDVDFOZWQMMPQR-HUUCEWRRSA-N 379.438 -0.029 30 20 GBED C#CCC[C@@H](O)CNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 799074458 IVSJGOLOLJYVRL-SECBINFHSA-N 382.218 -0.217 30 20 GBED CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cc1 832794450 WETSJLXEWIXSBA-MRXNPFEDSA-N 396.425 -0.316 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 850712780 RVAQQAXTFPOPBW-QZTJIDSGSA-N 378.517 -0.031 30 20 GBED CN(C)C(=O)Cn1cc(C(=O)OCC#CCN2C(=O)c3ccccc3C2=O)nn1 859520620 RWAYMPARZHGCPG-UHFFFAOYSA-N 395.375 -0.177 30 20 GBED N#C[C@H]1CN(C(=O)C(F)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCN1C1CC1 865737702 CDCQZQKWUBORKD-HOTGVXAUSA-N 388.447 -0.278 30 20 GBED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2cn(CC(N)=O)nn2)[nH]1 997362229 FFDMRXMDJWNILC-OSMZGAPFSA-N 382.384 -0.861 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1008389612 JCYRFHNYKRQTHY-LJPSSGMGSA-N 390.440 -0.373 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCCC[C@@H](S(C)(=O)=O)C1 1261180685 ISSHWKAXASIUHZ-GFCCVEGCSA-N 380.488 -0.871 30 20 GBED Cc1cc(NC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)n(CCC#N)n1 1320726229 RFIZCRHFSIISCK-CQSZACIVSA-N 378.433 -0.805 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1 1325698586 STZLVUACPFZDQD-INIZCTEOSA-N 385.424 -0.231 30 20 GBED CN1CCN(C)[C@H](CNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 1326586994 XRHSEGUSZKKKJZ-QGZVFWFLSA-N 399.499 -0.600 30 20 GBED CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)NCc2ccc(OCC#N)cc2)C1 1327507393 MANRFBSVRWXDFX-ZDUSSCGKSA-N 380.426 -0.645 30 20 GBED C#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 1336982486 FOGXKZNCGTUZPS-UHFFFAOYSA-N 398.419 -0.864 30 20 GBED C#CCO[C@@H](C)C(=O)NC1CC2(CC(N=c3cc[nH]c(-c4nn[nH]n4)n3)C2)C1 1573289015 ZTFNRSJARDKPDL-CKNZGFSTSA-N 382.428 -0.044 30 20 GBED C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1C[C@@H]2CNC[C@@H]2C1 1574936964 QJZNIFARLSJMPQ-KFWWJZLASA-N 378.477 -0.040 30 20 GBED C=CCC1(C(=O)N[C@@H]2CCN(CC(=O)NCc3cnn[nH]3)C2)CCOCC1 1575085901 RZUVQWNQTDYITB-CQSZACIVSA-N 376.461 -0.016 30 20 GBED N#C[C@]12CN(C(=O)[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C[C@H]1CS(=O)(=O)C2 1581859925 CRVCHUOWCWXVLV-WOSRLPQWSA-N 388.409 -0.703 30 20 GBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H](O)C2)nc1 1581871116 HPGLHOUNPYYBCE-BXUZGUMPSA-N 379.384 -0.169 30 20 GBED C#CCNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1(C)C 1588353200 KJGRAVOUJMJVHL-BXUZGUMPSA-N 384.444 -0.227 30 20 GBED C#CCN1CCN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3nc(C)ccc32)CC1 1588353431 RZIDUVJQWZRWRX-UHFFFAOYSA-N 392.423 -0.338 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1cc(-c2nn[nH]n2)ccc1F 1588688611 LRTWQQFACNATLL-UHFFFAOYSA-N 396.404 -0.661 30 20 GBED C=CCn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2nccnc2-c2nn[nH]n2)C3)nn1 1588713900 YIZFDJVJAARQBY-WCQGTBRESA-N 379.388 -0.559 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1nc(-c2nn[nH]n2)cs1 1593084601 HVJDTUWAIFIOAB-ACCUITESSA-N 389.401 -0.351 30 20 GBED C#CC[C@@H]1CCCN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)C1 1602699276 GGYCEPMXVZOOOF-GFCCVEGCSA-N 399.459 -0.175 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 1609077464 KXEQNNFYYPOAQS-ZJUUUORDSA-N 388.392 -0.667 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1778790071 MCOZCAZCNFEJOM-YJBOKZPZSA-N 381.429 -0.316 30 20 GBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)CCO2 1783054435 MYTOMPRMJXGXQG-IBGZPJMESA-N 397.391 -0.245 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795360982 ZTPRYBNSRSYZIW-XPCVCDNBSA-N 389.474 -0.579 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1 1797233773 IAOJYZFPGJHFSN-BMFAXAFESA-N 394.516 -0.586 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797744124 OVDBMLLLPSOTCC-PKEZIJFGSA-N 393.488 -0.428 30 20 GBED CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)c[nH]1)C(=O)C(=O)O 1799422291 UZJHLMWVVKVSPJ-CLLJXQQHSA-N 387.396 -0.319 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1830054637 VQODBMHULCAHQA-SFHVURJKSA-N 375.429 -0.111 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834848649 YQLLXKPSOJSOAY-DNVCBOLYSA-N 396.440 -0.566 30 20 GBED Cc1noc(N)c1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835353837 FCYJGRXMXHGWKX-KRWDZBQOSA-N 377.401 -0.061 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CN)CCO2 1835531988 UVRCIGMKIARCKO-DNVCBOLYSA-N 397.472 -0.453 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839719640 GPFXPJGRRMJODP-DNVCBOLYSA-N 392.456 0.000 30 20 GBED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1839887608 BZMOSCPHLNBUAN-MRXNPFEDSA-N 389.399 -0.258 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839957957 NOEXDOITIYXJIZ-YLJYHZDGSA-N 387.436 -0.040 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1840165164 OZSYZMIQVNRSSZ-IBGZPJMESA-N 394.472 -0.483 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)OCC)C2)C1 1840841435 ZDQUHDFNVLDLOH-IHHMQQGQSA-N 378.425 -0.025 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H](O)COc2ccc(C#N)cc2)c1=O 31584796 QQDIZHXAVZHZBX-OAHLLOKOSA-N 384.392 -0.145 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)OCO3)CC1 272240355 QUNXSVKTSKIEAG-UHFFFAOYSA-N 379.438 -0.139 30 20 GBED N#Cc1cc(NC(=O)CNS(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 290439247 KUTDFGGWYIGNRZ-NSHDSACASA-N 375.403 -0.258 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)N[C@H](C)CC)CC2)C1=O 299480434 CLPAGYXDDPEIQQ-CYBMUJFWSA-N 393.444 -0.978 30 20 GBED C[S@@](=O)C1(C/N=C(/O)N2CCN(C(=O)CN3CCOCC3)CC2)CCC1 328619649 WEKXUMNRVLJQCH-AREMUKBSSA-N 386.518 -0.322 30 20 GBED C=CCN(C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)[C@@H]1CCS(=O)(=O)C1 328803267 JXTDNDNVHKABEV-DFMBRWPFSA-N 396.465 -0.259 30 20 GBED C[C@H](C/N=C(/O)N[C@H]1CCCN(S(C)(=O)=O)C1)CN1CCN(C)CC1 329844978 XVSQZHWSWCZGBM-CABCVRRESA-N 375.539 -0.203 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C)C[C@@H]3CCC[C@@H]3O)CC2)c1C#N 410835984 PPOZTLGUMUCRPM-HOCLYGCPSA-N 388.472 -0.132 30 20 GBED CCCNC(=O)CN(C)C(=O)CN1CCN(c2c(C#N)c(C)nn2C)CC1 472166018 ZWDYQUIUGXHPTH-UHFFFAOYSA-N 375.477 -0.293 30 20 GBED COc1ccc([C@H](C#N)N2CCN(C(=O)c3cn(CC(N)=O)nn3)CC2)cc1 505735472 DVVXVNIKEJHGPZ-INIZCTEOSA-N 383.412 -0.205 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1 511025381 DLIAJMUBKOGAQC-UHFFFAOYSA-N 388.471 -0.365 30 20 GBED CCN1C[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)CC1=O 516980939 GMMCBCKAUKWTDW-LLVKDONJSA-N 386.455 -0.612 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)C1=O 517752299 HCPMOULCJIDLQK-ZDUSSCGKSA-N 385.424 -0.200 30 20 GBED CN(C)S(=O)(=O)c1cccc(CNC(=O)NCCn2cnc(C#N)n2)c1 553670978 KNMDZWBQUNHNKW-UHFFFAOYSA-N 377.430 -0.101 30 20 GBED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC3(C#N)CC3)CC2)C[C@@H](C)O1 562388497 ZSKASXIWVVIALI-ZIAGYGMSSA-N 385.490 -0.029 30 20 GBED CNC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 589411086 FZJONYSJAJPHMM-NSHDSACASA-N 382.384 -0.393 30 20 GBED CN(C)S(=O)(=O)NCCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 596613399 CIUCYKQJYIERNL-UHFFFAOYSA-N 381.462 -0.819 30 20 GBED CNS(=O)(=O)CCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 600664891 BCIVEAYUFVZIQL-NSHDSACASA-N 388.471 -0.719 30 20 GBED N#CCc1cccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 619480631 GGBSQKLXJMBJSZ-HZPDHXFCSA-N 399.494 -0.471 30 20 GBED C=CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)C1 658484769 CYSDVOFALSOLIC-AWEZNQCLSA-N 375.433 -0.841 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(CC#N)CC(=O)O)cc1 736166116 VSTARZSCZJCOTI-UHFFFAOYSA-N 382.398 -0.298 30 20 GBED N#CCNC(=O)CN1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 737695686 LUOKOMHNAQRYFA-UHFFFAOYSA-N 383.372 -0.124 30 20 GBED Cn1c(=O)c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)cnc2n(C)c1=O 746268021 GERMGSDMHSJNMQ-UHFFFAOYSA-N 383.364 -0.319 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 747737690 AXCFQPIHZHTCCK-UHFFFAOYSA-N 388.449 -0.287 30 20 GBED Cn1cnc(S(=O)(=O)NCC(=O)OCC(=O)NCc2cccc(C#N)c2)c1 756451674 JQACLTMTBQPKAC-UHFFFAOYSA-N 391.409 -0.570 30 20 GBED CC(C)(C)NC(=O)CNC(=O)CON=C(N)c1ccc(S(C)(=O)=O)cc1 772895092 DHGZEKMAZMABPZ-UHFFFAOYSA-N 384.458 -0.242 30 20 GBED C#C[C@@H](NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21)[C@@H]1CCCO1 775327999 WSEKBNBGDPFCMC-YPMHNXCESA-N 379.394 -0.461 30 20 GBED Cc1ccc(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)cc1S(=O)(=O)NCC#N 793905868 XJTVLEHBEAHQIS-NSHDSACASA-N 379.398 -0.843 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CCCO1 804005313 XUCHHCNZAVVLLM-QZTJIDSGSA-N 398.463 -0.252 30 20 GBED C#CCCS(=O)(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O 810779211 CVMLAFBDMJXODL-QGZVFWFLSA-N 393.421 -0.069 30 20 GBED C#CCN(C)CCCNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 818599377 NBZLXENEXGLEJK-UHFFFAOYSA-N 394.497 -0.262 30 20 GBED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F 823932461 ZQOIZQFSRGZDPM-UHFFFAOYSA-N 375.407 -0.115 30 20 GBED C[C@H]1NC(=O)N(CCOC(=O)CNS(=O)(=O)c2ccccc2C#N)C1=O 837402590 UONIAJFARFEEFP-SNVBAGLBSA-N 380.382 -0.680 30 20 GBED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN2CCNCC2=O)cc1 843391295 UWKRHLDLYUUJPW-HKWRFOASSA-N 393.469 -0.130 30 20 GBED CN(CCC#N)C(=O)CCN1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 846963468 CLCUFLPMOKFWCC-UHFFFAOYSA-N 379.508 -0.661 30 20 GBED CN1C(=O)N[C@@](C)(c2ccc(NC(=O)C(=O)N3CC[C@](O)(CC#N)C3)cc2)C1=O 847532267 BYUNQMSETWOVAS-RBUKOAKNSA-N 399.407 -0.101 30 20 GBED C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nonc2C)CC1 848962511 ANTBSFSOGBPVHU-UHFFFAOYSA-N 391.475 -0.910 30 20 GBED C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2noc(C)n2)CC1 848962609 IDNQGXCUNWRNIP-UHFFFAOYSA-N 391.475 -0.910 30 20 GBED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CC3CC3)c2=O)cn1 853472651 ZCEOWBWQSGJQBH-UHFFFAOYSA-N 399.476 -0.118 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](C)C1 949505164 KZKXBWQCIHEWSI-SYQHCUMBSA-N 390.444 -0.679 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 997620683 UAUPBKWJRUCTDA-BDXSIMOUSA-N 393.484 -0.216 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3OCC[C@H]3CC)C[C@H]2O)nn1 1023922137 PKCNJDPEKLIWAF-XOUADPBQSA-N 377.445 -0.029 30 20 GBED C#CCN1C[C@H](n2ccnn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n2ccnn2)[C@H](NC(=O)[C@H]2OCC[C@H]2C(C)C)C1 1128999346 VOVQVYCWMUVKNG-DFGXFYAUSA-N 390.488 -0.017 30 20 GBED C=CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1131564379 KLZQUGCCNQRINA-DLTWYDFYSA-N 378.473 -0.604 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CCO1 1321411250 CVTUWOQICKRUME-LBPRGKRZSA-N 377.401 -0.892 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 1323155122 UIGNMABFMFLNFN-LBPRGKRZSA-N 399.473 -0.993 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCC#N)cc2)C[C@H](C)O1 1327505733 GRIRIUFWUTULPS-WFASDCNBSA-N 375.381 -0.006 30 20 GBED Cn1cc(N2CCN(C(=O)C(=O)NCCc3ccc(C#N)cc3)CC2=O)cn1 1330392566 CGBILLDBMCCATM-UHFFFAOYSA-N 380.408 -0.174 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)/C=C\c2ccc3c(c2)NC(=O)CO3)CC1 1337249973 JGLVEDBMDXWTEX-XQRVVYSFSA-N 382.420 -0.076 30 20 GBED CN(C)C(=O)O[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1351849939 WFRBXOFMDABCAK-GJZGRUSLSA-N 377.445 -0.126 30 20 GBED Cn1cc([C@@H]2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C[C@@H]2N)cn1 1548945643 NYSZEPSQOSAEIA-KBPBESRZSA-N 388.453 -0.588 30 20 GBED C[C@H](C(=O)NCc1cnn[nH]1)N1CCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1575228806 YXLFHDHDIZZMLI-BXUZGUMPSA-N 386.416 -0.860 30 20 GBED C[C@H](NC(=O)CCOCc1cnn[nH]1)[C@@H]1CCCN(CC(=O)NCC#N)C1 1575638772 CLGIRFFEZJETTM-UONOGXRCSA-N 377.449 -0.432 30 20 GBED COC(=O)C1(C#N)CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 1579437001 STKLMWBNWUFFOV-UHFFFAOYSA-N 377.386 -0.271 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588354414 MGCKILRBOLHABO-ZYHUDNBSSA-N 384.400 -0.947 30 20 GBED CO[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1591469096 NGKBDVORSDCTSD-ZIAGYGMSSA-N 395.383 -0.336 30 20 GBED CCN1C(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C(=O)O)CCN2C1=O 1596389265 DGLIEUXJPLRLAH-LBPRGKRZSA-N 392.393 -0.087 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)C[C@@H]2C)nn1 1602882335 IKUVBBJEJIRRSQ-QWRGUYRKSA-N 381.404 -0.429 30 20 GBED CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 1603083380 RXUTVMGTJIWGKJ-HNNXBMFYSA-N 375.393 -0.164 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cnn(-c2ncccc2-c2nn[nH]n2)c1 1609019910 LBTHUOQDXWHTMJ-LBPRGKRZSA-N 395.383 -0.724 30 20 GBED CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1764388568 KUNIQSGCFYFORO-QWHCGFSZSA-N 384.462 -0.250 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778846173 GTHCCFVGZABLEQ-SCLBCKFNSA-N 390.444 -0.812 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1778969641 OSGXVFWFOLNNFI-KSSFIOAISA-N 377.445 -0.319 30 20 GBED C[C@@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1781246612 GCQXNLNIPWJQQU-UZLBHIALSA-N 391.468 -0.351 30 20 GBED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1786701943 IPVODIVBSNMUOX-GVXVVHGQSA-N 375.385 -0.215 30 20 GBED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1)C(F)(F)F 1787094094 IETJKMFQCWKPQN-SRVKXCTJSA-N 388.350 -0.229 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnnc3O)[C@H]2C1 1789113080 YUWXEDJQUUPGDY-VRKREXBASA-N 388.424 -0.186 30 20 GBED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cnnn2)c1 1795859054 STBHQPVNEWXUCJ-SCAQPMJSSA-N 381.396 -0.552 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccn2cn1 1797102351 LYSHJOHNPCBLQG-IVWMJMPLSA-N 382.376 -0.375 30 20 GBED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)CN)C3)c1 1801760079 BCJHEZUPWJMIJX-RPCVNMKUSA-N 385.468 -0.197 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C(O)O)CC1 1823744135 VHARQTNFFAQEIZ-IDTUSYRASA-N 379.457 -0.225 30 20 GBED O=C1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)N1 1831213514 RUVQATKYELUCNB-HNAYVOBHSA-N 375.425 -0.865 30 20 GBED C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1831597144 FCYQMOWGMJIQKD-KUHUBIRLSA-N 377.441 -0.632 30 20 GBED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)n1ccccc1=O 1834761358 ZLPAAOIEVCOSHK-BEFAXECRSA-N 388.424 -0.221 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1840168144 ARMNBHAQDBHYPJ-UZLBHIALSA-N 391.468 -0.063 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1841608951 ZEIFTPMFDZKWEG-LBPRGKRZSA-N 386.412 -0.174 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841847496 CVGWGZDZHITHPF-UHFFFAOYSA-N 390.444 -0.977 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](C(=O)NCCC)C2)c1=O 65188672 ZEBZGOZXHLQDMW-HNNXBMFYSA-N 391.472 -0.261 30 20 GBED C/N=C(/NCCN1CCOCC1)NCCS(=O)(=O)NCc1ccccc1 264976799 IOWVGLXJHDLISK-UHFFFAOYSA-N 383.518 -0.397 30 20 GBED N#Cc1ccc(OC[C@H](O)CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 265370647 OLOHXPKLTXKIFE-NXHRZFHOSA-N 395.481 -0.615 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@@H](CO)CN1CCCCC1)c1cc[nH]n1 298591421 MHLGDUKPEBPRCM-IQQDNESTSA-N 381.433 -0.344 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCCC)[C@H]2CCS(=O)(=O)C2)C1=O 298680467 NMCJTDVSKWTUPF-LBPRGKRZSA-N 385.442 -0.221 30 20 GBED CC(=O)N1CCC(N/C(O)=N/CCS(=O)(=O)N2CCSCC2)CC1 328659164 SFDCQFVJZZEYQU-UHFFFAOYSA-N 378.520 -0.121 30 20 GBED CCN1C[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)C[C@@H]1C 349472701 HDQKEHPCVZPSFN-MELADBBJSA-N 380.536 -0.048 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCNC(=O)C1(C)C 349590534 LXBHJVXIKHNGCS-GFCCVEGCSA-N 394.519 -0.520 30 20 GBED C[C@H](O)c1cn(C2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)nn1 365698298 NXIKXQABFCXLEQ-NSHDSACASA-N 390.425 -0.435 30 20 GBED Cc1nccnc1N1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1 370009548 OQFLKCJNYJMLSN-UHFFFAOYSA-N 382.428 0.491 30 20 GBED COc1c(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(C)nn1C 480575774 CIRQZBBIYWJTPW-UHFFFAOYSA-N 397.439 -0.031 30 20 GBED COC(=O)CCN1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1=O 501161720 GNGIOCFRIBGPAY-NSHDSACASA-N 396.381 -0.091 30 20 GBED CC(=O)NCC(=O)N1CCCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 528740031 YSBSKPLSMYSZOI-UHFFFAOYSA-N 393.469 -0.603 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CCN3CCOC[C@H]3C2)CC1 579683729 JVVGHKSYQCODOR-MRXNPFEDSA-N 384.440 -0.855 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@H](C)[C@](C)(CO)C1 595961456 COZMMFNOAVJZKE-MJBXVCDLSA-N 381.520 -0.170 30 20 GBED C=CCN(CCOC)C(=O)C(=O)N1CCC(N2C[C@H](C(=O)O)CC2=O)CC1 652659065 MLVRLIBEJVFNDO-CYBMUJFWSA-N 381.429 -0.429 30 20 GBED Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cn1C 727005694 DWJCLDINDJXRCW-HNNXBMFYSA-N 385.446 -0.396 30 20 GBED O=C(COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCOCC1 728086980 PCZYTHVZPXIZJS-UHFFFAOYSA-N 395.437 -0.046 30 20 GBED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccs2)c1=O 758078162 ZGELSFRGTKTTJR-UHFFFAOYSA-N 385.470 -0.034 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)NCc2ccc(F)cc2)CC1 761023215 FMVJMXVZFFDVOG-AWEZNQCLSA-N 382.461 -0.084 30 20 GBED CCS(=O)(=O)NCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767636809 MCAAPDSLLKWAKX-LLVKDONJSA-N 389.455 -0.292 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 779891547 ILTRXRBMOBWAQO-UHFFFAOYSA-N 394.453 -0.166 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1)[C@@H]1CCCO1 787197086 JJPYWWGXSWQOOZ-IRXDYDNUSA-N 385.468 -0.253 30 20 GBED N#Cc1cncc(S(=O)(=O)NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 813980234 WXMZOJMMWDIVBH-GVARAGBVSA-N 386.389 -0.435 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1 838172859 NGGUZTCVWVOWFY-QMMMGPOBSA-N 394.409 -0.144 30 20 GBED COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 862824703 PDIFJSLTVITCRU-VBMPLNBNSA-N 393.396 -0.144 30 20 GBED C=CCn1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H]2OCCO[C@H]2C)nn1 960557871 AAYNIMZQZQEBMU-HNKHHVNMSA-N 391.428 -0.680 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]c(=O)cn1 960854653 IJIGIWWHMIBJNC-SYAUCNOPSA-N 388.424 -0.197 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3nnc(O)nc3O)C[C@H]21 975257201 XMSJVPRMHCIWLK-KKOKHZNYSA-N 375.385 -0.453 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@]2(C)C1 993217689 OEWVBOUEWGIOHW-KSVNGYGVSA-N 390.484 -0.684 30 20 GBED CN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nc2)C1=O 1055390340 XZXOTMRBLRHCNL-BNOWGMLFSA-N 382.380 -0.400 30 20 GBED N#Cc1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)c[nH]1 1058352873 LNKAPENHIDDGEC-CWRNSKLLSA-N 376.413 -0.511 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCN(C)C1=O 1109622683 VSENAIGHNDVNCG-RFGFWPKPSA-N 377.445 -0.802 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1(C(N)=O)CC1 1109664739 NGLXDYDYKWNHBQ-RNJOBUHISA-N 377.445 -0.626 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCN(C)C1=O 1110921647 VSENAIGHNDVNCG-SYQHCUMBSA-N 377.445 -0.802 30 20 GBED Cc1nc(CN2CCN(C(=O)C(=O)N3CC[C@@](O)(CC#N)C3)CC2)oc1C 1118184326 BLLMOSSZOMEINX-SFHVURJKSA-N 375.429 -0.187 30 20 GBED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)CC1(CC#N)CC1 1184535292 ZJTRXRKJCLSIKO-LBPRGKRZSA-N 377.488 -0.365 30 20 GBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1 1219821610 SZNLFJBZYPCIEG-BDXSIMOUSA-N 376.457 -0.301 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCC(c2cn[nH]c2)CC1 1258384236 WFLPCPRWCGDZOT-FOCLMDBBSA-N 386.412 -0.242 30 20 GBED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccccc2CN2CCOCC2)n1 1261092013 MSQXOLVCGHCMQB-UHFFFAOYSA-N 383.412 -0.263 30 20 GBED C=CCn1cnnc1S(=O)(=O)CC(=O)N[C@@H](C(=O)NC)c1ccccc1 1319252174 PDSMUQIDSHLVCV-CQSZACIVSA-N 377.426 -0.159 30 20 GBED N#Cc1ccc(NC(=O)CCN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 1319643894 NZKYMQCHYJNFCV-DLBZAZTESA-N 392.481 -0.338 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 1320709972 RGKASFRJGFQXFF-YPMHNXCESA-N 385.467 -0.224 30 20 GBED CN(C)C(=O)CN1CCN(C(=O)C(=O)NCc2cccc(OCC#N)c2)CC1 1322768548 RBUQVHHURHKHII-UHFFFAOYSA-N 387.440 -0.562 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O 1323505859 XITIMUYFMUEWPP-PXWIGAEESA-N 392.456 -0.080 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCCO1 1327731359 KHUGCGXGWXYVNW-HOTGVXAUSA-N 393.465 -0.150 30 20 GBED CN1C(=O)NC2(CCN(C(=O)C(=O)NCC3CCC(C#N)CC3)CC2)C1=O 1327758994 DZNZJKBMVUYUIP-UHFFFAOYSA-N 375.429 -0.025 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CSc2nc(C)cc(C)n2)CC1 1329900399 JXIYEIZOILSYAZ-UHFFFAOYSA-N 383.499 -0.203 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CCC[C@H](OCCO)C2)CC1 1331286196 QHTZAHHOTGHBEP-INIZCTEOSA-N 387.440 -0.398 30 20 GBED CS(=O)(=O)NCCNC(=O)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 1341896939 AHDLMRDUPKINAN-CABCVRRESA-N 378.454 -0.050 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)CCO1 1464523111 LCKYVXJSUHINMM-NXEZZACHSA-N 394.379 -0.038 30 20 GBED N#C[C@H](C(=O)CN1Cc2ccccc2C1=O)C(=O)N1CCS(=O)(=O)CC1 1515068277 WBTCVVHURFICEQ-CQSZACIVSA-N 375.406 -0.392 30 20 GBED C#CCO[C@@H](C)C(=O)N(CC)[C@H]1CCN(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575004948 QIOUCJDKEVANCP-ZFWWWQNUSA-N 390.444 -0.701 30 20 GBED Cn1cccc1C(=O)N(Cc1cnn[nH]1)C1CCN(CC(=O)NCC#N)CC1 1577669851 WDHVPHWSWLHIMR-UHFFFAOYSA-N 384.444 -0.110 30 20 GBED N#Cc1cnc(N2CCO[C@@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cn1 1581877706 FVOUJUJFLVXQFM-LBPRGKRZSA-N 380.372 -0.508 30 20 GBED N#Cc1ncn(CCNS(=O)(=O)c2ccc(-c3nn[nH]n3)c(Cl)c2)n1 1592709698 MGMAGROPRNAIRH-UHFFFAOYSA-N 379.793 -0.038 30 20 GBED C=CCn1cc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C2)nn1 1602882321 ICEMRQQCEXAYNR-LLVKDONJSA-N 381.404 -0.310 30 20 GBED COc1ccc(CNC(=O)C(=O)NC2CCN(CC#N)CC2)cc1-c1nn[nH]n1 1605279745 SPMHMCJBUJYPIB-UHFFFAOYSA-N 398.427 -0.404 30 20 GBED N#CC1(C(=O)O)CCN(C(=O)Cn2cc(Br)c(O)nc2=O)CC1 1608171365 LKQUUNMMSUTOQI-UHFFFAOYSA-N 385.174 -0.072 30 20 GBED CNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1748273389 DCLOXTCBWKSUSF-KBPBESRZSA-N 386.460 -0.458 30 20 GBED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2 1779106232 YSMORIAMEVYFKM-FAVJPGRCSA-N 392.456 -0.127 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(CO)on1)C2 1782013563 VZDJTEMYEQMPFC-RDTXWAMCSA-N 391.380 -0.618 30 20 GBED O=C(C#CC1CC1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782951710 CSDGKDCEKAYTMB-CRAIPNDOSA-N 380.466 -0.193 30 20 GBED CC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788681057 KMWLLUWFBOSJGN-ZSGKJWPFSA-N 390.440 -0.186 30 20 GBED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COCCO)C3)c1 1799747623 KJJARUDXMNEFIL-ZSBFGKGUSA-N 391.399 -0.091 30 20 GBED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1800995672 UXJGAEAKSPQMPX-MVJTYMMSSA-N 379.457 -0.970 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)CCn2cncn2)[C@@H]1c1cccnc1 1813321905 QCPUDALFEVEYDJ-KXBFYZLASA-N 396.407 -0.143 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1830064488 MBUQCLSUTRCIOV-QGZVFWFLSA-N 399.469 -0.190 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2 1833828055 QKNIVSIYSMTREN-LJQANCHMSA-N 386.408 -0.334 30 20 GBED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342595 XRFJVRLZUVSEHY-KUHUBIRLSA-N 392.456 -0.387 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1835713457 XVHFTYYRYREGEZ-IRXDYDNUSA-N 395.548 -0.583 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H](NC)C(=O)O)CCO2 1835766415 NREPUMNCEIRBAM-BEFAXECRSA-N 395.456 -0.691 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)OC)C2)C1 1839176342 IYBGCDULYTXPMC-HNAYVOBHSA-N 398.456 -0.013 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1839840266 BXRHZJKMAGCCFT-WMLDXEAASA-N 388.486 -0.300 30 20 GBED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)nn1 1840161906 FHQLLXWDABLPSS-SJKOYZFVSA-N 396.469 -0.127 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 171923972 OIQXZWVSTBWVDJ-ZDUSSCGKSA-N 387.444 -0.874 30 20 GBED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)c2c(C#N)c(=O)n(C)c(=O)n2C)C1 263770330 SPAXJDCSXXEJBE-LBPRGKRZSA-N 391.428 -0.806 30 20 GBED C[C@]1(C(N)=O)CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 288649096 QTYVJHWRXZPBFJ-QRWLVFNGSA-N 397.435 -0.501 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 298818858 ZLQHHBOZGPHJJW-LAQRGFTBSA-N 386.452 -0.132 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2C[C@H](O)C[C@@H]2C)c1C#N 349462242 LDXCHNWUUFZQGA-GXSJLCMTSA-N 391.475 -0.494 30 20 GBED Cc1cnn([C@H]2CCN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)C2)c1 349493814 KSFYASJHFMPSKV-KBPBESRZSA-N 389.503 -0.010 30 20 GBED CN1CC[C@H]2CN(S(=O)(=O)CCCCS(=O)(=O)N(C)CC#N)C[C@H]21 349610270 QWCXCBOWBSCUGB-UONOGXRCSA-N 378.520 -0.483 30 20 GBED COC(=O)[C@@H]1COCCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 471516750 SHHUYOQGRVWXMN-AWEZNQCLSA-N 381.410 -0.421 30 20 GBED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCOCC2)C1 508936842 UIZKLWPPKOUPSG-UONOGXRCSA-N 384.506 -0.015 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C[C@@H](O)CN2CCOCC2)CC1 538148990 USBSQQWFCURBSH-QZTJIDSGSA-N 381.521 -0.696 30 20 GBED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 566926995 SDSOJHMTIBONMI-QWRGUYRKSA-N 393.350 -0.131 30 20 GBED C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 590986009 IEJYEKVBOMFDBP-DOTOQJQBSA-N 383.452 -0.040 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2CC(CC#N)C2)c1C#N 595963684 CWLXFYMQQOYULH-UHFFFAOYSA-N 386.459 -0.103 30 20 GBED CS(=O)(=O)NC1(CNC(=O)C(=O)Nc2cnn(CC#N)c2)CCCCC1 783014844 LXRPAQLMPPJTQB-UHFFFAOYSA-N 382.446 -0.287 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CCOc2cccc(C=O)c2)CC1 831560704 DZAUPUGUOJOPCD-UHFFFAOYSA-N 379.438 -0.120 30 20 GBED C[C@H](CC(=O)N1CC(=O)N(C)C(=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 848048067 GUFLZRDREDMNMF-SNVBAGLBSA-N 378.410 -0.669 30 20 GBED C/N=C(/NCCOc1ccc(S(C)(=O)=O)cc1)NCCN1CCOCC1 849101721 GRSDWONIBGSJDH-UHFFFAOYSA-N 384.502 -0.034 30 20 GBED C#Cc1ccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 896432562 WMOLGUVFSSBKIP-QGZVFWFLSA-N 389.477 -0.271 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)/C=C/C(=O)NCc2ccc(OC)cc2)CC1 900560561 KATVQLDBLXYVSW-CMDGGOBGSA-N 398.463 -0.239 30 20 GBED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CN(C)S(C)(=O)=O)cc1OC 916923363 KPRFKGZVADROJC-CYBMUJFWSA-N 397.453 -0.037 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1n1ccnn1 990963904 UZXCFXXSGLHNMI-VDERGJSUSA-N 385.428 -0.215 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCN(C)[C@@H]3CC)C[C@H]2O)nn1 1023770695 AJSZCQFDVQHNSM-SJXGUFTOSA-N 376.461 -0.504 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1044665965 CGJSQWSLMUHLQM-ARKGTOAJSA-N 380.441 -0.682 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCN1C(=O)CCC1=O 1109373851 ZZXCDBPXUUPFGI-ILXRZTDVSA-N 376.457 -0.061 30 20 GBED CCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1 1116331308 BJLVNQFXYBZJFZ-UHFFFAOYSA-N 396.473 -0.026 30 20 GBED CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 1117511175 OWECPKMBZKBIGY-FUHWJXTLSA-N 386.452 -0.187 30 20 GBED N#CC[C@]1(O)CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 1118214103 JAVCLGYPNUXDFE-KRWDZBQOSA-N 392.437 -0.702 30 20 GBED CCn1nncc1CNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1119147501 SICXDWDPNBNAEW-LBPRGKRZSA-N 383.416 -0.687 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 1120449544 HTCHMINNQGKPAS-INIZCTEOSA-N 392.500 -0.319 30 20 GBED C=CCn1c(CS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1121705534 ZZFWYUMZLHKENG-CQSZACIVSA-N 396.517 -0.249 30 20 GBED C#CCN1CCC(c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCOC)CC1 1122426051 BMVUYMSLMAGKEV-INIZCTEOSA-N 387.488 -0.049 30 20 GBED Cc1ccc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1S(C)(=O)=O 1122497608 ZKSARZUCDWXYAM-CYBMUJFWSA-N 398.462 -0.022 30 20 GBED C=CCNC(=O)CN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1131385653 JSPQSQKMQJPMDL-OAGGEKHMSA-N 378.473 -0.493 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 1321729492 INFAGCQYOCDMLC-CQSZACIVSA-N 399.451 -0.069 30 20 GBED CC(C)(CC#N)CNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 1325654925 QQAAYPIUNLFRTQ-UHFFFAOYSA-N 377.445 -0.664 30 20 GBED CCOCCOC1CN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1331256393 YTHMROXQWISKKG-UHFFFAOYSA-N 387.440 -0.134 30 20 GBED N#CCN1CCN(C(=O)c2cccc(C(=O)N3CCN(CC#N)CC3)n2)CC1 1331987477 AMRKHRJDHDWJJT-UHFFFAOYSA-N 381.440 -0.356 30 20 GBED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)cn1 1332031100 YAXIQJAXUFOJLW-QWHCGFSZSA-N 375.433 -0.692 30 20 GBED N#CCn1cc(NC(=O)C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cn1 1342587337 ZGBJLBKENWRBNS-GFCCVEGCSA-N 394.457 -0.334 30 20 GBED C=CCN(C(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1)[C@@H](C)COC 1347529085 PYRVTTKEGFXJCX-IRXDYDNUSA-N 382.505 -0.441 30 20 GBED C[C@H](C#N)C(=O)N1CCN(CCN(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1573571036 XCXLXCZIYUMXMU-GFCCVEGCSA-N 385.432 -0.429 30 20 GBED C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N)[C@H]1CCS(=O)(=O)C1 1574673892 QWFLDVQCTDAXDD-QWHCGFSZSA-N 394.501 -0.407 30 20 GBED C=CCn1c([C@H]2COCCN2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1574954409 MNJRAMJVFQRXLP-OAHLLOKOSA-N 391.476 -0.301 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CCCN([C@@H](C)C(=O)NCc3cnn[nH]3)C2)nn1 1575112157 PWXBHEIOHFTYMW-QWHCGFSZSA-N 387.448 -0.519 30 20 GBED C[C@@H](NC(=O)C#CC1CC1)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1575247018 HRTIXBCOLRDXHS-IAQYHMDHSA-N 383.412 -0.046 30 20 GBED CCO[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1CNC(=O)[C@@H](C)C#N 1578382124 UAGMHYOIDLXYAU-MISXGVKJSA-N 386.416 -0.052 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nc(Cl)c(-c3nn[nH]n3)s2)CC1 1588353793 GRGYOXPKDONDGF-UHFFFAOYSA-N 388.866 -0.434 30 20 GBED C=CCn1c(Cc2ccc(-c3nn[nH]n3)cn2)nnc1N1CCNC(=O)CC1 1588708382 GEYFEJHZHPAFGO-UHFFFAOYSA-N 380.416 -0.044 30 20 GBED CCN(C(=O)Cn1c(C)nc(-c2nn[nH]n2)c1C#N)[C@@H]1CCS(=O)(=O)C1 1590670158 PHJLUSIRMRNVGF-SNVBAGLBSA-N 378.418 -0.721 30 20 GBED C=C[C@@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 1602793648 DYSSFEPXOOYQGP-MRXNPFEDSA-N 392.441 -0.363 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778846171 GTHCCFVGZABLEQ-ACJLOTCBSA-N 390.444 -0.812 30 20 GBED Cc1nc(N)sc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1786919125 ILLDAPNZWWYTPH-SRVKXCTJSA-N 392.437 -0.285 30 20 GBED COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)nc1 1787761278 LWXBVVKGOIRTJT-NOLJZWGESA-N 387.392 -0.229 30 20 GBED C[C@@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1789877045 LGQOSRSJQQOHGP-QWVLOAHRSA-N 390.440 -0.187 30 20 GBED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=N)N)C3)cc1 1792423349 GXFGMLKMGDXITR-HGKCTWBKSA-N 398.467 -0.436 30 20 GBED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 1793349079 BAARTXPIYNSMGZ-BASYENTBSA-N 379.457 -0.163 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(C)=O)C2 1793358140 SRFRYOJBFSDBPA-RDDKANTKSA-N 397.472 -0.682 30 20 GBED C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2 1793587258 WMTNRBVINMQQDT-NXOAAHMSSA-N 383.489 -0.498 30 20 GBED CC(C)[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597519 LYISBIOHOZIWQW-QKPAOTATSA-N 380.489 -0.125 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](C(=O)OC)C1)CCO2 1830717647 LAUMICJEMWYVFN-DOXZYTNZSA-N 378.425 -0.335 30 20 GBED CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1831263677 FNUGIHGXDXZSNU-DOTOQJQBSA-N 387.502 -0.467 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1831426919 MGVNLKVIYXRPQK-GGXPGOJBSA-N 382.457 -0.195 30 20 GBED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834756141 SHJZSCZMZFNJGL-CLCXKQKWSA-N 393.440 -0.054 30 20 GBED COCCn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)n1 1834761071 UPJAJQUANYGBKY-SFHVURJKSA-N 391.428 -0.487 30 20 GBED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cnc(O)[nH]3)CC2)CC1 1838479449 AUTCDHQHTIPODO-UHFFFAOYSA-N 390.396 -0.185 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H](C(=O)OC)C3)C2)C1 1839805254 GBSRNUUCDNQZMY-QMTMVMCOSA-N 378.425 -0.335 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1839808989 NHCDRNMLMMPDHC-QGZVFWFLSA-N 387.421 -0.211 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1840164823 HFVLLFGDDCEEGS-UZLBHIALSA-N 391.468 -0.228 30 20 GBED CN1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1840571191 DIPMLFYLZSVUOE-LJQANCHMSA-N 387.440 -0.482 30 20 GBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C(C)=O)CC2)C1 1843972949 OFHGQOWEIQHZPG-MRXNPFEDSA-N 390.484 -0.608 30 20 GBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)NC)n(C)c1 56139921 JQOGLOOCIHQSAZ-NSHDSACASA-N 375.472 -0.252 30 20 GBED Cn1cc(CN2CCN(/C(O)=N/[C@@H]3CCCN(S(C)(=O)=O)C3)CC2)cn1 329137672 DJBIHDDLXQAQAK-OAHLLOKOSA-N 384.506 -0.124 30 20 GBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 329268345 ICAQBWVNLUSPTF-HZSPNIEDSA-N 389.474 -0.227 30 20 GBED CCN(C1COC1)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 349473119 HOUXTAWLBBCXPN-LBPRGKRZSA-N 397.544 -0.302 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)n1 377326538 FAOXSMWLJJOMSO-ZDUSSCGKSA-N 396.473 0.157 30 20 GBED COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 410160957 WGWKINLQTDYPHW-HUUCEWRRSA-N 389.522 -0.519 30 20 GBED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC1 410488703 HZEXYGRRVXZMFO-LSDHHAIUSA-N 381.477 -0.710 30 20 GBED C=CCn1cc(CNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)nn1 425565619 OJOFHECMYYISTL-CQSZACIVSA-N 386.478 -0.248 30 20 GBED Cn1c(NCCN2c3ccccc3NS2(=O)=O)c(C#N)c(=O)n(C)c1=O 430509015 HXXJFUUTBHQRGV-UHFFFAOYSA-N 376.398 -0.456 30 20 GBED N#Cc1ccc(N2C[C@H](C(=O)N(CC(N)=O)CC(N)=O)CC2=O)cc1Cl 448882967 PWBSZLKHVYNWHV-SNVBAGLBSA-N 377.788 -0.636 30 20 GBED CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 458956107 MOJBTQWBHYFVEP-ZDUSSCGKSA-N 397.505 -0.240 30 20 GBED Cc1nn(C)c(N2CCN(c3nc4c(c(O)nc(=O)n4C)n3C)CC2)c1C#N 472424805 KNFMKWBPDCAWGX-UHFFFAOYSA-N 383.416 -0.387 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(CC(=O)OC)c2ccncc2)C1=O 486599192 NWDCDOAUQTUQOW-SFHVURJKSA-N 388.380 -0.047 30 20 GBED COC(=O)[C@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCO1 489147641 LEZSTSCZEJAXKD-CQSZACIVSA-N 377.401 -0.623 30 20 GBED Cc1ccc(OCC(=O)N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1 500553258 WBLVYXXJBPWRPH-UHFFFAOYSA-N 397.435 -0.008 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@H]34)CC2)nc1 502276619 LMDYGZVBVKIZQA-HZPDHXFCSA-N 396.451 -0.129 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 563892928 DUWXGDCEUDKKIG-KGLIPLIRSA-N 387.444 -0.476 30 20 GBED N#Cc1ccc(NC(=O)CN2C(=O)N[C@@H](CCS(N)(=O)=O)C2=O)cc1Cl 579430300 VOUNIMDJQSIWCE-NSHDSACASA-N 399.816 -0.251 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2nc(CC(N)=O)cs2)cc1 590650243 NLHUDDRRHWSCPS-UHFFFAOYSA-N 379.423 -0.040 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@H](C)[C@@H](CO)C3)CC2)c1C#N 598682341 CMHQBAYKXLGPOK-DZGCQCFKSA-N 388.472 -0.274 30 20 GBED Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)c1 608911984 YHKRDSXREIJSSA-UHFFFAOYSA-N 382.445 -0.515 30 20 GBED C#CCN1CCN(C(=O)CN2CCN(c3nccn4cnnc34)[C@@H](C)C2)CC1 749447587 DIKBCYPDTCLAGF-INIZCTEOSA-N 382.472 -0.588 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 783304433 VXWHZTOBYCWAHA-UHFFFAOYSA-N 386.518 -0.073 30 20 GBED C[C@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)NC2(C#N)CCC2)C1=O 783984975 VCDVEZDCQIJXLM-QGZVFWFLSA-N 394.395 -0.008 30 20 GBED CC(=O)N1CCN(C(=O)CCNc2cccc(S(N)(=O)=O)c2C#N)CC1 784597096 ONPYTWZSTUENOV-UHFFFAOYSA-N 379.442 -0.302 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 793414405 SLZRFLHAOFYOBS-UHFFFAOYSA-N 398.467 -0.035 30 20 GBED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C1 809502259 GKXRXVTVSFFILK-CQSZACIVSA-N 394.453 -0.277 30 20 GBED N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 834517080 PWHBHZHONWHLBH-IJEWVQPXSA-N 378.454 -0.015 30 20 GBED C#CC[C@@H]1NC(=O)N(CCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1=O 842234469 AHUXATJMFGYOSU-AWEZNQCLSA-N 391.453 -0.523 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)OC[C@H]2C1 848958940 NMFYDCKTFQCSJS-VXGBXAGGSA-N 394.475 -0.984 30 20 GBED COC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cn1 850368475 BURLKSDWTBRDAX-CQSZACIVSA-N 388.428 -0.072 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)NCCCOC 1109175617 SWPWHNOASSVYIW-WCVJEAGWSA-N 378.473 -0.611 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C[C@H]1c1cn(C)cn1 1130593133 RJMQBVWVEOHIGI-XLMAVXFVSA-N 386.500 -0.606 30 20 GBED C=C(Br)CN1C[C@H](O)[C@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C1 1220040764 FUCNNCAOJZYPPX-NDBYEHHHSA-N 390.278 -0.131 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1 1321608570 ZQSWUVWYAGZZGG-CZUORRHYSA-N 393.444 -0.318 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC2(CCOCC2)O1 1332035821 AXDLHVSCTIDWHI-GDBMZVCRSA-N 376.457 -0.018 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCCn1cncn1 1336098657 BFDRKGPWKMQRPU-CYBMUJFWSA-N 383.416 -0.817 30 20 GBED CN(C)C(=O)CN1CCC(NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1 1337500712 PATRZRMUYGWTQM-UHFFFAOYSA-N 390.492 -0.010 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC2(CO)COC2)cc1 1349912123 UEVKPOMXACFGIM-UHFFFAOYSA-N 389.455 -0.882 30 20 GBED CCn1cc(CNC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)nn1 1350240781 XSXLTEPAFMIRMJ-GFCCVEGCSA-N 383.416 -0.687 30 20 GBED N#Cc1ccc(N2CCO[C@@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nn1 1571152247 FYULFYNODGKCTL-NSHDSACASA-N 380.372 -0.508 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](N[C@@H](C)C(=O)NCc2cnn[nH]2)C1 1574985892 OLWPXJVASMNRMN-MPTYRVRUSA-N 387.488 -0.609 30 20 GBED C=CCCOCC(=O)N1C[C@@H]2CN([C@H](C)C(=O)NCc3cnn[nH]3)C[C@@H]2C1 1575099698 BJRHAIZGFXNBCX-KFWWJZLASA-N 376.461 -0.208 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](CC)N=c1cc[nH]c(-c2nn[nH]n2)n1 1588404297 HAXLWZXLZGAYNK-QWHCGFSZSA-N 387.448 -0.144 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H](Cn2ccnc2)C(=O)O)cc1 1601102266 JBDHKXJEMOATKJ-CQSZACIVSA-N 376.394 -0.061 30 20 GBED C=CCOCCCC(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 1602872405 ZSHOIEJQLSBLCR-CYBMUJFWSA-N 388.432 -0.039 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](Oc2ccccc2)C(=O)O)C1=O 1602894420 BEOMYGIZFRAVJW-GFCCVEGCSA-N 375.337 -0.388 30 20 GBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 1604921402 QNGIZULVGUVZRQ-RBSFLKMASA-N 384.396 -0.069 30 20 GBED O=C(O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCC#CCO)CC1 1610853539 WPESIBAQIWOBQK-UHFFFAOYSA-N 380.422 -0.103 30 20 GBED Cn1c(=O)[nH]c(N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)c(C#N)c1=O 1651723273 RFFCXYPIAYNZRJ-HNNXBMFYSA-N 383.408 -0.173 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)nn3)C[C@@H]21 1784478928 PLIYKBPISIUSSB-YXWQFLTLSA-N 388.424 -0.186 30 20 GBED CN1CC(C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)C1 1784780865 VXYKAWQGRDQBJY-IBGZPJMESA-N 377.489 -0.340 30 20 GBED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1 1786793028 RGIRYSWLCLHJPB-RHYQMDGZSA-N 395.418 -0.991 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nonc4c3)C[C@@H]21 1791076955 RZFVXPOFCBZKMF-XEZPLFJOSA-N 398.375 -0.096 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnn4n3)C[C@@H]21 1791077428 ZGAZXAUVHYJFTF-NOLJZWGESA-N 397.391 -0.589 30 20 GBED O=C(CCN1CCOCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1795468491 CNPBVGYPHAGXRB-XEMDLRDOSA-N 375.469 -0.288 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccccc1=O 1795773461 ZXIBIOCKKZBONK-GGXPGOJBSA-N 387.436 -0.524 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCN(C)CC1 1797834846 INYYNVOAOCEDQE-FJIDUMEYSA-N 376.501 -0.090 30 20 GBED O=C1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CN1 1829946527 PFQGBLSSZQXCRK-OXQOHEQNSA-N 389.452 -0.618 30 20 GBED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)C3CC(O)C3)CC2)CC1 1833276683 UIVUWWFIIMXGFT-UHFFFAOYSA-N 377.441 -0.583 30 20 GBED N#CCC(=O)NC1CCN(C2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1834400048 DZJPDIGWVIALQX-UHFFFAOYSA-N 399.455 -0.326 30 20 GBED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)n1ccccc1=O 1834761361 ZLPAAOIEVCOSHK-KXBFYZLASA-N 388.424 -0.221 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1840422309 UXZIXQYLAHUAAQ-MAUKXSAKSA-N 375.429 -0.291 30 20 GBED O=C1CN(CC(=O)N2CC3(CCCN3C(=O)C#Cc3ccccc3)C2)C(=O)N1 1842729800 DIBFENFAMBPZSI-UHFFFAOYSA-N 380.404 -0.207 30 20 GBED O=C(C/N=C/c1ccco1)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844296076 HZSFCUGYINHHPH-PBGVMVHZSA-N 390.440 -0.448 30 20 GBED NC(=O)[C@H](N)CCC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844300002 FVEVZYFYTNILKJ-WKPBUIIDSA-N 395.460 -0.688 30 20 GBED O=C(C#CC1(O)CCCCC1)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845066083 VMMUMYFRACJUQN-HOTGVXAUSA-N 375.469 -0.389 30 20 GBED CN1CCCn2nc(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)cc2C1 1845727597 SYGIMHKZUDTOTE-UHFFFAOYSA-N 385.424 -0.376 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NC(=O)NCC 1847262353 PDAPBXDJXMNPSU-XNZLPNGMSA-N 391.472 -0.246 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O 1848132066 VVIUPKUEMBBPJS-VOAKCMCISA-N 378.429 -0.641 30 20 GBED C=CCNC(=O)COC(=O)CNS(=O)(=O)c1ccc(NC)c([N+](=O)[O-])c1 9215684 WZKYZSXUAIUXRW-UHFFFAOYSA-N 386.386 -0.240 30 20 GBED C[C@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 271178707 WQJABZCCGZSDPV-UXNQKTKSSA-N 382.442 -0.065 30 20 GBED C=CCNC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)OCCCO2 271981658 NJFOACBHRQYYNU-LBPRGKRZSA-N 397.453 -0.067 30 20 GBED COCCN1CCN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 297841137 NTTZXVWJPFOJCI-MRXNPFEDSA-N 387.440 -0.276 30 20 GBED CS(=O)(=O)N1CCC[C@@H]1C/N=C(/O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 328788665 KHKBKZQKRZAJRE-JIFFNSBPSA-N 385.442 -0.471 30 20 GBED CS(=O)(=O)N1CCC(C/N=C(/O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 328819525 QLINGFYOYDHYDH-CYBMUJFWSA-N 396.535 -0.414 30 20 GBED CCN(C1CCN(/C(O)=N/CCN2CCN=C(O)C2)CC1)S(C)(=O)=O 329690112 BLLWDUXUDDWIAY-UHFFFAOYSA-N 375.495 -0.082 30 20 GBED C[C@@H](C/N=C(/O)N1CCCN(S(C)(=O)=O)CC1)CN1CCN(C)CC1 329806005 NPJNHNRXHAOQEI-HNNXBMFYSA-N 375.539 -0.249 30 20 GBED CC(=O)N1CC[C@@H](/N=C(/O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1 329905347 AQTPCDWLMCXTTC-CQSZACIVSA-N 381.458 -0.077 30 20 GBED N#Cc1ccnc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](CO)C2)c1 349530119 XJQHYSRSQAOGLZ-CYBMUJFWSA-N 388.471 -0.271 30 20 GBED CNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 408010534 WEDRJDYSBFLXFM-UHFFFAOYSA-N 378.863 -0.018 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCSC[C@@H]1CO 440675045 PFTHLPGPKROATI-ZDUSSCGKSA-N 386.437 0.322 30 20 GBED C[C@H]1CN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C[C@@H](CO)O1 459863381 JQTUNJXWHBYJKE-YJBOKZPZSA-N 386.452 -0.189 30 20 GBED COC[C@@H]1CN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CCO1 460581696 HHEFSTLXZXPLKK-AWEZNQCLSA-N 384.396 0.260 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NCC2CN(S(C)(=O)=O)C2)c1 494314523 PVHYIHXMPZIOOU-UHFFFAOYSA-N 387.483 -0.228 30 20 GBED C[C@@H](CN(C)C)NS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 514679949 SNVSGDHQZKKUKW-ZDUSSCGKSA-N 399.498 -0.047 30 20 GBED COc1cc(C#N)ccc1NC(=O)C(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 551042241 JPGGYTIMSJGUJF-LBPRGKRZSA-N 380.426 -0.002 30 20 GBED N#Cc1ccccc1CSCCNC(=O)C(=O)NCC(=O)N1CCNCC1 567363123 BUEDYILPYCMXOU-UHFFFAOYSA-N 389.481 -0.544 30 20 GBED COC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)C#N)cc1 573020532 OCPBLHNTXMURRD-JTQLQIEISA-N 375.428 -0.330 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cnccc3C#N)CC2)C1=O 574744303 CRIBZPVFQNEHIC-UHFFFAOYSA-N 382.380 -0.421 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 579494321 KQSQBTSUSPCWNQ-IGQOVBAYSA-N 389.499 -0.187 30 20 GBED CS(=O)(=O)N1CCc2c(NC(=O)C(=O)N3CC[C@@](O)(CC#N)C3)cccc21 592300199 YVPNAGXCMWWAHF-KRWDZBQOSA-N 392.437 -0.176 30 20 GBED C#CCOc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)cc1 731128747 APONPRBYGAIOKA-UHFFFAOYSA-N 395.437 -0.585 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734037933 RKEZZJCIZFVEGP-VXGBXAGGSA-N 393.421 -0.632 30 20 GBED C#CCN(CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCS(=O)(=O)C1 735374887 OQRMBZHPAXSORD-OAHLLOKOSA-N 388.453 -0.395 30 20 GBED CC(C)[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NC(N)=O 769205153 MTUSPPFGTTZSDD-CYBMUJFWSA-N 382.398 -0.401 30 20 GBED N#CCc1ccccc1CC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 776871869 XVSUPWJAQCYDFU-SJORKVTESA-N 377.466 -0.091 30 20 GBED C[C@@H](OC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)N(C)CCC#N 785653662 BWVOVCVXUVFHEZ-HUUCEWRRSA-N 380.445 -0.529 30 20 GBED C[C@H](CC(=O)NC[C@H]1CC(C(N)=O)=NO1)/N=C1/NS(=O)(=O)c2ccccc21 793898630 SYAYSQNQSQYNMK-NXEZZACHSA-N 393.425 -0.750 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](CO)[C@H]1CCOC1 796442301 BOCZHJGUAGUYMX-QWHCGFSZSA-N 381.454 -0.124 30 20 GBED COC(=O)CN1CCN(c2ccc(NC(=O)NCC(=O)NCC#N)cc2)CC1 806257342 HFJRDMGBYFOXKY-UHFFFAOYSA-N 388.428 -0.257 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cnc(C)c(C(=O)OC)c2)CC1 813663311 SRFRNKPPFPPTLR-UHFFFAOYSA-N 394.453 -0.768 30 20 GBED C#CCN(CC(=O)N1CCN(CCS(N)(=O)=O)CC1)C(=O)OC(C)(C)C 857139874 SECNCBZVZYPMPM-UHFFFAOYSA-N 388.490 -0.711 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)CC1 872515457 NJXMZULRXBXDCP-ZDUSSCGKSA-N 399.494 -0.216 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ncccc2N(C)C)CC1 894939597 LYLSGDTYFOYELC-UHFFFAOYSA-N 380.474 -0.558 30 20 GBED C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CN(C)CCN1C 896582297 RJILYFHGYDDFKK-GXTWGEPZSA-N 379.486 -0.524 30 20 GBED COCCNC(=O)[C@@H](C#N)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916889031 IUTYNPRILMDPOW-HNNXBMFYSA-N 395.437 -0.207 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3nn[nH]c3n2)C[C@@H]1O 964503223 IWCLLJXKIYHWNL-PUPMMZHASA-N 386.412 -0.364 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2nnc(O)nc2O)cn1 998805949 MCYPTWGMCSNBMA-AGIUHOORSA-N 380.364 -0.165 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC(=O)NC(=O)N2)nc1 998952822 VOLCEFVXGQEKKS-UNQGMJICSA-N 381.392 -0.477 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H]3CCN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)nn1 1022017636 NUYYULUWLXTNDI-YALNPMBYSA-N 388.472 -0.144 30 20 GBED N#CCN1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 1116201591 ABIOLBZSDNCKQI-KFWWJZLASA-N 382.486 -0.626 30 20 GBED C=CCNC(=O)CS(=O)(=O)c1nnc(N2CCOCC2)n1CC(F)(F)F 1116849951 CCMWVHWBFPLENX-UHFFFAOYSA-N 397.379 -0.247 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2CN(CC(C)C)CCO2)CC1 1116992780 XSLIHBKBIONUMF-KRWDZBQOSA-N 392.500 -0.553 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCc2cccc(C(=O)N3CCOCC3)c2)CCO1 1117639390 ZIMVMPSGGGGDSS-INIZCTEOSA-N 386.408 -0.474 30 20 GBED N#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C[C@@H]1n1ccnn1 1129938406 WYZXJXVQMQAOLL-AIANPOQGSA-N 387.444 -0.926 30 20 GBED COC(=O)C[C@H](C)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1137250627 ZTFQHGMOISTXFT-LBPRGKRZSA-N 377.401 -0.694 30 20 GBED C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(CCC#N)CC1 1152068910 RMPJXIKDMYLHBW-TZMCWYRMSA-N 386.499 -0.166 30 20 GBED C#CC[C@H](NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 1258331498 ALBNMJVUUCJYLI-INIZCTEOSA-N 395.423 -0.775 30 20 GBED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC(CC#N)CC2)cn1 1320099715 WKUQYTONQWFRPP-UHFFFAOYSA-N 389.460 -0.348 30 20 GBED CN(C[C@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1)S(C)(=O)=O 1321889312 AFSRZKQIQYDHNW-OLZOCXBDSA-N 380.492 -0.941 30 20 GBED CN1CC[C@H](NC(=O)C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1=O 1326646291 PKECYOOWMIJZJV-KRWDZBQOSA-N 383.452 -0.014 30 20 GBED CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)[C@@H](C#N)C1 1327876138 RASRDEVVVOCYAT-STQMWFEESA-N 386.474 -0.265 30 20 GBED COC(=O)[C@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1331801036 IRJJXBPPXRBUSF-XHSDSOJGSA-N 398.419 -0.157 30 20 GBED C=CCSCCn1nnnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1335652454 IKCGWOJYUHBXEJ-UHFFFAOYSA-N 379.490 -0.137 30 20 GBED C#CCN1CCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 1337315432 PIEQOHFOZJAFLP-HNNXBMFYSA-N 385.873 -0.243 30 20 GBED C=CCn1c(CCc2nn[nH]n2)nnc1N1CCC(N2CCN(C)CC2)CC1 1340234801 PMOIMZRAMLUOTB-UHFFFAOYSA-N 386.508 -0.021 30 20 GBED C=CCN1C(=O)C(=O)N(Cc2nc(CCN(C(C)C)S(C)(=O)=O)no2)C1=O 1342527015 GNTBQMPSVRAPMY-UHFFFAOYSA-N 399.429 -0.241 30 20 GBED N#Cc1cc(=O)n(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cn1 1349298191 BWLYITNXOLSFBT-UHFFFAOYSA-N 381.392 -0.096 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 1588351121 FMUMWQMWLGAOSX-KBPBESRZSA-N 381.444 -0.209 30 20 GBED C[C@H](C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)O)n1cnc(C#N)n1 1588546627 CCCKNGIHXHEZGJ-MRTMQBJTSA-N 388.306 -0.167 30 20 GBED C=CCn1cccc1C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588716737 JWIAGKUHDOJUDN-HIFRSBDPSA-N 396.411 -0.202 30 20 GBED N#Cc1ncn(CC(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)n1 1592710019 TWYRRUPELLMMMQ-ZDUSSCGKSA-N 392.383 -0.753 30 20 GBED C=C(C)C[C@@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1602753975 WPMOLHOUEDEAHZ-YPMHNXCESA-N 394.457 -0.023 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2NC)C1=O 1602862091 BUDVCILKSQJHPO-UHFFFAOYSA-N 384.356 -0.176 30 20 GBED C=CCNC(=O)CN1CCN(c2ccc(S(N)(=O)=O)cc2C(=O)O)CC1 1602901770 USLWRPALHPIISW-UHFFFAOYSA-N 382.442 -0.544 30 20 GBED N#Cc1cn(CCNC(=O)CNC(=O)c2ccc(F)c(F)c2)c(=O)nc1O 1633550816 ZNEYGDLQYRZSRX-UHFFFAOYSA-N 377.307 -0.355 30 20 GBED N#Cc1cn(CC(=O)NC2(C(=O)N3CCOCC3)CCCCC2)c(=O)nc1O 1637420588 OXNCNYATHRFBAG-UHFFFAOYSA-N 389.412 -0.502 30 20 GBED CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1646148983 YJOBIYRAFAPGRC-NSHDSACASA-N 379.442 -0.116 30 20 GBED CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)N1CCOCC1 1723590466 IVECWXKVKVZSCK-KRWDZBQOSA-N 393.423 -0.283 30 20 GBED CN1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)C1 1779105756 MBPJGNXQFRGZJL-KJOZLBEHSA-N 394.472 -0.093 30 20 GBED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1783198764 OJDOFQIKEGOOHC-QGZVFWFLSA-N 397.378 -0.047 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)C(C)C)C[C@@H]21 1783528299 LIOPXDSFBGDYEJ-GINMEMRHSA-N 393.484 -0.159 30 20 GBED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1783890612 SWIQVKRIKHCYBB-MAUKXSAKSA-N 384.546 -0.228 30 20 GBED CCCC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1788743833 JMDBSZPTPZFSGZ-QPSCCSFWSA-N 393.440 -0.641 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1 1795440999 GZPKRPXMEVPNGA-DFGXFYAUSA-N 395.500 -0.519 30 20 GBED CN1CCc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)ccc21 1800778397 SFFZBHANSSIYMS-CWPLJXCYSA-N 397.431 -0.030 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COc2cccnn2)c1 1801347835 GOCZFOYZQXRBMY-ZSBFGKGUSA-N 396.407 -0.041 30 20 GBED N#CCC(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807021540 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378.348 -0.012 30 20 GBED C/N=C(/NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CCN(C[C@@H]2CCOC2)CC1 261709404 JWGZKQUTJRIOND-HOTGVXAUSA-N 387.550 -0.503 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CNS(C)(=O)=O)cc2)C1=O 265481308 SOLBAVWYDHDKEP-UHFFFAOYSA-N 394.409 -0.349 30 20 GBED CCOCCS(=O)(=O)NCC(=O)N1CCN(c2cc(C#N)ccn2)CC1 268157869 OJLPYSRWPMSGAP-UHFFFAOYSA-N 381.458 -0.442 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1 272012466 KRLXKWVNUDFYAS-ZDUSSCGKSA-N 399.494 -0.296 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N(C)C[C@H](C)C#N)nn1C 349515288 GUVLWSIZLCSLQH-SNVBAGLBSA-N 378.480 -0.323 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H](C)C#N)ncc1C#N 349571079 DYRGUXYXNQZEOE-LLVKDONJSA-N 385.471 0.473 30 20 GBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCS(=O)(=O)N(C)C 447782688 IFTTUXUMIFGGRL-LBPRGKRZSA-N 388.533 -0.727 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)n(CCC#N)n1 537385201 ZAAJQPVEOBLXHC-LBPRGKRZSA-N 382.446 -0.464 30 20 GBED CN(C)CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 561475813 FJDQIQYGDATVFT-UHFFFAOYSA-N 379.486 -0.458 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)cc1 576592487 XTWBWVBYUKTCDB-ZDUSSCGKSA-N 387.483 -0.085 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCn2cncn2)cc1 583213866 HHRGCQJUTXCATE-NSHDSACASA-N 384.443 -0.553 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1 728534454 LPOTWAQKHCAAOB-UHFFFAOYSA-N 392.481 -0.751 30 20 GBED CCN1CCN(CC(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)C(=O)C1=O 751647996 WOGSIHSTPGLBAP-LBPRGKRZSA-N 390.421 -0.041 30 20 GBED COc1ccc(N2CCN(C[C@H](O)Cn3c(=O)c(C#N)cn(C)c3=O)CC2)cc1 758208483 GMKNQWWWIYYFBG-KRWDZBQOSA-N 399.451 -0.390 30 20 GBED CCc1cccc2c1NC(=O)C2=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771888552 DTNMECDGACQVOS-UHFFFAOYSA-N 391.409 -0.719 30 20 GBED Cn1cc([C@@H](CO)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 778404058 QVJQQUKCYPCGJO-CYBMUJFWSA-N 377.426 -0.302 30 20 GBED Cn1cc([C@@H]2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C[C@H]2N)cn1 818291275 NYSZEPSQOSAEIA-UONOGXRCSA-N 388.453 -0.588 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 850711072 AFKFYJXQJFAKPC-UHFFFAOYSA-N 386.456 -0.253 30 20 GBED C#CCN1CCC[C@H](NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 885511556 JLBSYPFYOQDFJF-HNNXBMFYSA-N 385.511 -0.018 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)c(=O)n1C 960533081 CFNKHOMNNSRIFK-BFJAYTPKSA-N 390.440 -0.633 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1 968389536 NPWOCGAIKDRDRX-VDERGJSUSA-N 390.440 -0.304 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3nnc(O)nc3O)[C@@H]2C1 974637435 WKYIJZUIBPQSBH-KKOKHZNYSA-N 375.385 -0.453 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]21 975260011 DJUBOQDMUAUTTI-FPCVCCKLSA-N 377.441 -0.504 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 1024648422 GXIYCLOTTZJMGI-IYDIDCQVSA-N 391.424 -0.334 30 20 GBED CN(C)S(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 1092847370 JSNQZZUBNLIEEU-RDBSUJKOSA-N 378.458 -0.144 30 20 GBED Cc1cc(C)n2nc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3N4CC(=O)NCC#N)nc2n1 1110056933 RWNAQFDBOBWABD-RDBSUJKOSA-N 382.428 -0.284 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@@H](C)NC(N)=O 1110557982 YWVFPEMRHWVKFU-TUVASFSCSA-N 378.477 -0.083 30 20 GBED CC(C)CN1CCC(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1117010499 QSGPNGQJRSZPMZ-WUKNDPDISA-N 391.472 -0.134 30 20 GBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H]2c2ccccc2)C1 1220387750 PEKINPJSJFNGIX-HCXYKTFWSA-N 384.480 -0.758 30 20 GBED CCN(C(=O)C(=O)NCCNc1ncccc1C#N)[C@H]1CCS(=O)(=O)C1 1321573077 SAQICAAVPBCGPX-ZDUSSCGKSA-N 379.442 -0.483 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cn(CC(=O)N(C)C)nn1 1322491384 ONZGASSKKVVFQB-LBPRGKRZSA-N 383.416 -0.621 30 20 GBED C=CC[C@H](CC)NC(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 1323102048 SUMOKTYIFFHDBS-AWEZNQCLSA-N 375.491 -0.032 30 20 GBED C[C@@H](Cn1cccn1)NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1325296096 GHDLEBVIQDWKFO-KBPBESRZSA-N 382.428 -0.213 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCC1(NS(C)(=O)=O)CCCCC1)[C@H]1CCCO1 1325452734 QDHZDSUGZQPUCN-ZIAGYGMSSA-N 385.486 -0.348 30 20 GBED CN1CCN(C)[C@H](CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 1325891942 HTPZRUSFSCBQSG-CYBMUJFWSA-N 382.428 -0.561 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@H]1CN(CC(C)C)CCO1 1327317082 SMLXAUBKEJEBID-AWEZNQCLSA-N 375.491 -0.824 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)c3ccsc3)CC2)C1 1329450245 XXNOVMFUHNXXFG-KRWDZBQOSA-N 376.438 -0.090 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CCN1c1nccn2cnnc12 1332371543 GEENKEIRRCORSQ-FZKQIMNGSA-N 398.427 -0.962 30 20 GBED C[C@@H]1OCC[C@]1(O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1512581983 NSMXUVZEQBIJNL-IYOUNJFTSA-N 390.444 -0.331 30 20 GBED C=CCn1c(CN2CCC(O)CC2)nnc1N(C)CC(=O)N1CCOCC1 1520354987 CSPPQXXQZPRJFW-UHFFFAOYSA-N 378.477 -0.284 30 20 GBED C[C@H](C#N)C(=O)N(CCO)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573560337 BELPSVOXTPNROK-VXGBXAGGSA-N 386.416 -0.220 30 20 GBED N#Cc1cn(CCNC(=O)C2(c3cccc(-c4nn[nH]n4)c3)CC2)c(=O)nc1O 1581876799 GVSVRUINVQBWOC-UHFFFAOYSA-N 392.379 -0.151 30 20 GBED C#CCNC(=O)[C@H](C)NCC[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588353223 KXZVIIXNYYHCEN-STQMWFEESA-N 384.444 -0.226 30 20 GBED C#CCN(CC(=O)O)C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1588419096 QNABSHKUHSDVLD-UHFFFAOYSA-N 380.422 -0.008 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@@H](O)CNc1nccnc1-c1nn[nH]n1 1588437111 XNOYHYPUQRJSEN-OBJOEFQTSA-N 388.432 -0.131 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[nH]n2)C[C@@H]1O 1588504610 LSLDYHWKUZRGMW-CYVIZDSUSA-N 399.864 -0.031 30 20 GBED C=CCNC(=O)NC(=O)CN(C)[C@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588658991 WYVXDJUJGFZQJD-SNVBAGLBSA-N 389.420 -0.743 30 20 GBED N#CC[C@@H]1CC[C@H](NC(=O)N2CC(n3cc(-c4nn[nH]n4)c(O)nc3=O)C2)C1 1592681831 INIPLQWRHXRGAF-UWVGGRQHSA-N 385.388 -0.222 30 20 GBED C=CCOCC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nn[nH]n2)C[C@H]1O 1602868594 QNQYFUIUFOSBRR-GHMZBOCLSA-N 379.446 -0.110 30 20 GBED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1750077402 VEPVHNFEHJACSQ-XJKCOSOUSA-N 383.474 -0.073 30 20 GBED C=CCC1(C(=O)N[C@@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)C[C@@H]2O)CCOCC1 1757199106 TXEXQSYTETXRTA-FZKCQIBNSA-N 382.457 -0.149 30 20 GBED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OCC)C2 1783166164 ZYJZTJBRFHHJOV-IDHHARJASA-N 395.456 -0.022 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1nc(C)no1)C2 1793342740 ODKCMVWUHOHAAW-DPYKFYPSSA-N 376.413 -0.452 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CN)CC2 1819712657 VLURZDAZXPLDPE-OUJBWJOFSA-N 381.502 -0.086 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1831424062 BZMGDRHQZPQUPB-CRAIPNDOSA-N 393.444 -0.674 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1831492178 KEFDOXNFTYMHDD-WBVHZDCISA-N 390.502 -0.594 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835849849 LLAHFXOHMXDRRE-ACJLOTCBSA-N 392.412 -0.776 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837798891 HFBTYRJGFGRPJX-ZUZCIYMTSA-N 399.429 -0.294 30 20 GBED CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839228107 SNZRPUWCOTWSRV-KBXCAEBGSA-N 398.460 -0.620 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1840162111 MKIKFFLWSYNGNR-ZBEGNZNMSA-N 382.442 -0.842 30 20 GBED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842873048 HKJFPTQNLFAGMJ-GFCCVEGCSA-N 375.362 -0.494 30 20 GBED CN(C)CCCN(CCC#N)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 68233231 GZAKTEHQSZLXES-AWEZNQCLSA-N 397.501 -0.154 30 20 GBED CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1=O 268921161 QGCIFWYXODVDPO-BXUZGUMPSA-N 392.437 -0.123 30 20 GBED CCS(=O)(=O)NCCNC(=O)C(=O)Nc1cc(C#N)ccc1OCCOC 273049056 KCYFUPATCAMOOC-UHFFFAOYSA-N 398.441 -0.423 30 20 GBED N#CCCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2cc[nH]n2)CC1 279379061 XTENMVSCPWLFCJ-UHFFFAOYSA-N 379.446 -0.628 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 281755728 JOQMHFVPEXFQDH-LBPRGKRZSA-N 391.475 -0.542 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C 349463082 BHGCASHEWQLWMV-OSCVLKFXSA-N 385.533 -0.621 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)NCC(C)(C)C#N)nn1C 349556602 WWACLEICSDPTGF-UHFFFAOYSA-N 378.480 -0.276 30 20 GBED CNC(=O)N[C@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 410588866 HTSRYNBIDKAQBX-IRXDYDNUSA-N 398.467 -0.247 30 20 GBED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424434866 DSYHBSHMLZDJJW-LBPRGKRZSA-N 381.366 -0.784 30 20 GBED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C#N)o3)c(=O)n2C)CC1 440393021 SXIBQFQXIOEBHL-UHFFFAOYSA-N 397.460 -0.421 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N(C)C[C@H](O)CN2CCOCC2)c1 443361828 ZRLJWEWHXVLPBR-INIZCTEOSA-N 397.497 -0.084 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCNC(=O)c2ccco2)cc1 478570445 HJCBXRQJVNOFQI-UHFFFAOYSA-N 376.394 -0.024 30 20 GBED C=CCN(CCOC)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 478883151 UQDPXZXYZUXEKU-UHFFFAOYSA-N 390.506 -0.128 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 482794490 ADVQAOGNIVTAMB-VHRBIJSZSA-N 380.426 -0.626 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(CC(=O)NC)CC2)c1 486997776 MDPMOFHTYOIZFI-UHFFFAOYSA-N 380.470 -0.345 30 20 GBED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC1 502296287 YTRNMOHSPPLNCO-CVEARBPZSA-N 396.451 -0.129 30 20 GBED C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCC(=O)NCC#N)c2)C[C@@H](C)O1 588077604 CQXIYLKTVDGTIO-CHWSQXEVSA-N 394.453 -0.146 30 20 GBED CN1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCN(CCC#N)CC3)CC2)C1 601454210 YICYTEVABIDTAW-QGZVFWFLSA-N 376.505 -0.717 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 646951518 BWFJEGCJWMPKIP-CQSZACIVSA-N 379.438 -0.044 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)CSc1nnnn1CC(F)(F)F 730050439 DKNFHALJIMTYGY-UHFFFAOYSA-N 382.324 -0.118 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C#N)c(-c3nn[nH]n3)c2)C1=O 735426078 KASPEWGJETZBNR-UHFFFAOYSA-N 380.324 -0.346 30 20 GBED N#CCc1ccccc1CC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 776871866 XVSUPWJAQCYDFU-DLBZAZTESA-N 377.466 -0.091 30 20 GBED COc1cccc(CC(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1 782907891 MDHGXKVDGBXBSR-UHFFFAOYSA-N 381.414 -0.616 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)CC2(C(=O)OC)CCCCC2)CC1 813663269 RSIONQFCFOECEA-UHFFFAOYSA-N 399.513 -0.193 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CN(C)C[C@@H]2c2ccccc2)CC1 831579485 FCBFSYGUACMERA-MSOLQXFVSA-N 390.509 -0.056 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CN(C(=O)O)C2)cc1 833375220 JZLCEJFBJIXONJ-UHFFFAOYSA-N 396.425 -0.090 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CNC[C@H]2C#N)cc1 834498644 BDEZLRWAGIBMNT-TZMCWYRMSA-N 380.426 -0.631 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 850724536 JZQMPRNUKVQGFN-UHFFFAOYSA-N 393.465 -0.018 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@@H]4COCC[C@@H]43)CC2)o1 933972381 OPZXTNKXEMBYNZ-JKSUJKDBSA-N 375.429 -0.007 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1n1ccnn1 990879268 GJJYTYCZMJROIW-ATGSNQNLSA-N 386.416 -0.441 30 20 GBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)cn1 1044768127 VQCTWIGTBNJIIC-DNIRFERGSA-N 387.318 -0.640 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1(C(N)=O)CC1 1109664738 NGLXDYDYKWNHBQ-NDBYEHHHSA-N 377.445 -0.626 30 20 GBED C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC(=O)N1CCCC1 1110385144 NJEQUBDROFMMOI-OAGGEKHMSA-N 378.473 -0.351 30 20 GBED Cc1nsc(N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N 1117627266 ZUZDOWRJPUHXHY-GFCCVEGCSA-N 383.499 -0.252 30 20 GBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2C=C)C[C@@H]1n1ccnn1 1129855575 NRKPUHDYAKFCEV-NCOADZHNSA-N 388.472 -0.097 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccn(CC(F)(F)F)n2)CC1 1262637487 VBTPZWVJDFYKCW-UHFFFAOYSA-N 393.391 -0.400 30 20 GBED C=CCn1cnnc1S(=O)(=O)[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 1322782280 UAMTXWURWFZHHH-QWRGUYRKSA-N 376.460 -0.728 30 20 GBED CC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 1322922374 DNQZXXFGXWJTJI-UHFFFAOYSA-N 384.440 -0.271 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1)[C@H]1CCCO1 1323820986 YXJTUAGKEHZLQB-DLBZAZTESA-N 385.420 -0.026 30 20 GBED C=CCn1c(CCOC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1342071789 NXTZBSUKQOUYJW-UHFFFAOYSA-N 378.477 -0.366 30 20 GBED N#CC[C@H](C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1)c1ccccc1 1457600130 NOUMDHDGTTYXNI-BBWFWOEESA-N 377.466 -0.014 30 20 GBED CN(C)S(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1517025504 QEUFDGHVBKDVBL-QWHCGFSZSA-N 384.462 -0.598 30 20 GBED C=CCn1c(CN2CCC(CO)CC2)nnc1N1CCN(C(=O)COC)CC1 1520360615 JOEBKMLELMWJRD-UHFFFAOYSA-N 392.504 -0.037 30 20 GBED C[C@H]1C[C@@H](NCC(=O)NCC#N)CN1C(=O)C1CCN(Cc2cnn[nH]2)CC1 1576054562 DCDSKCGXLOEUHE-DZGCQCFKSA-N 388.476 -0.765 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCNc1ncccc1-c1nn[nH]n1)[C@H]1CCCO1 1588327438 JEDUBMLTFOODQX-CHWSQXEVSA-N 384.400 -0.913 30 20 GBED C#CCNC(=O)[C@@H](C)N(C)C[C@H]1CCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588353264 MJGKVDUJISUNPV-CHWSQXEVSA-N 384.444 -0.131 30 20 GBED C#CCNC(=O)C1CCN(c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)CC1 1588354721 XCTPYWBKAPYGHM-UHFFFAOYSA-N 389.441 -0.520 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nn[nH]n2)C1 1588356091 SJLSHYUHAIYAHL-STQMWFEESA-N 386.416 -0.276 30 20 GBED C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 1588931161 ROSQKODSXHLOCV-LBPRGKRZSA-N 383.416 -0.472 30 20 GBED COCC#CCN(CCO)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1591360176 AJPOZHXKQODEJN-HNNXBMFYSA-N 387.444 -0.257 30 20 GBED N#Cc1nc(N)n(CC(=O)NC[C@@H]2COc3ccccc3O2)c1-c1nn[nH]n1 1592705735 AKMSLAFUOKVEQC-SECBINFHSA-N 381.356 -0.527 30 20 GBED C=CCOC[C@H](NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)O 1602910479 ZCTOOWQLBKBCAB-ZBEGNZNMSA-N 383.401 -0.626 30 20 GBED Cc1nsc(N2C[C@H](O)[C@H](NC(=O)CSCC#N)C2)c1-c1nn[nH]n1 1606148773 VGPWYWDXPBJQGE-BDAKNGLRSA-N 380.459 -0.446 30 20 GBED C=C[C@@H](COC)NC(=O)N1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 1609052565 HQTLUXUEPMEJJR-LBPRGKRZSA-N 375.437 -0.059 30 20 GBED CO[C@@H](Cc1ccccc1)CS(=O)(=O)NCCn1cc(C#N)c(O)nc1=O 1670465765 PUHDJABJJDRCBT-HNNXBMFYSA-N 392.437 -0.002 30 20 GBED O=C(O)CNS(=O)(=O)c1ccc(C=NN[C@H]2CCCS(=O)(=O)C2)cc1 1776093125 ZQZKXQALFLMGHF-LBPRGKRZSA-N 389.455 -0.450 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2nc(N)n[nH]2)C3)c1 1798692338 HLTZOJQXQGWOSM-DRXBFXEBSA-N 398.427 -0.577 30 20 GBED C[C@H](S)C(=O)N[C@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1 1815067501 BJZJWWDBGBOXOH-CIUDSAMLSA-N 385.515 -0.034 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCC(=O)NC1)CC2 1825660902 XETQSDVNPJOVTR-VHSXEESVSA-N 390.421 -0.331 30 20 GBED COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1835239913 ISAWBRNESFSWSQ-SFHVURJKSA-N 383.445 -0.344 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1835364350 RKAPODUWHPGNIE-KSSFIOAISA-N 378.429 -0.727 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839875672 RZGXZVDIVWKZKU-IFXJQAMLSA-N 377.441 -0.619 30 20 GBED Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)co1 1840041658 ZSEHAUNKPOCEDH-QGZVFWFLSA-N 377.353 -0.859 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)c[nH]3)C2)C1 1840043950 DLKYTOATEBHVRA-KRWDZBQOSA-N 379.344 -0.688 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1840166379 FWIWCKOYCHCBDR-KSSFIOAISA-N 379.413 -0.645 30 20 GBED Cn1c(=O)n(CC(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)c2ccccc21 1843860662 BFAFHZFZQMEGOW-UHFFFAOYSA-N 396.403 -0.369 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)cc1 144106361 PLEUQEROKJEEOJ-UHFFFAOYSA-N 394.453 -0.307 30 20 GBED C#Cc1cc(F)c(NC(=O)C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)c(F)c1 283170806 FUBDGYZJAGBWGO-NSHDSACASA-N 386.376 -0.107 30 20 GBED CN(CCC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 286356966 HHSRKKRIXXPRGR-UHFFFAOYSA-N 393.469 -0.802 30 20 GBED CC/N=C(/O)N1CC[C@H](NS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C1 330046125 GSTGGTJXVDHRKR-ZDUSSCGKSA-N 396.535 -0.414 30 20 GBED COc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)ncn1 348343050 JKDCUKPUEFDRLU-UHFFFAOYSA-N 389.459 -0.208 30 20 GBED C[C@]1(O)C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2cc(C#N)ccn2)C1 349539102 HYXZBMAQKJFTPF-XBXGTLAGSA-N 388.471 -0.082 30 20 GBED Cc1nc2n(n1)C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)CC2 349563032 FOVBOOUCQLTEFQ-JQWIXIFHSA-N 390.491 -0.958 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 409577198 ZHUYITXDUSEMER-CYBMUJFWSA-N 399.473 -0.994 30 20 GBED CCN1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)[C@@H](C)C1=O 441026440 TVMLBYLLOMDCLJ-ZDUSSCGKSA-N 395.423 0.465 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)C1=O 499042806 GHVHEQPQACOEKM-UHFFFAOYSA-N 399.363 -0.346 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CC(O)(CC#N)C2)cc1 506385063 YKGGTMSDICMETR-UHFFFAOYSA-N 380.426 -0.200 30 20 GBED CC(=O)NCCN(C)C(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 592437340 RRYJXCDNUXISSJ-UHFFFAOYSA-N 388.428 -0.333 30 20 GBED N#Cc1ccc(CCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 596321619 LFNVBKXJKOIXSV-NVQRDWNXSA-N 396.407 -0.036 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)cc1 608890193 GPRCSPVGFLWKBK-UHFFFAOYSA-N 393.403 -0.180 30 20 GBED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@](C)(C#N)C2)cn1 612267822 HUUDIMJQAKLOBS-SFHVURJKSA-N 389.460 -0.348 30 20 GBED C=C(CNC(=O)C(=O)c1cnn(CC)c1)CNC(=O)C(=O)c1cnn(CC)c1 664465168 GWKLDMHABWQWIR-UHFFFAOYSA-N 386.412 -0.026 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](c2nn[nH]n2)C1 731854192 UGSIFZBXCYLORC-NSHDSACASA-N 391.413 -0.772 30 20 GBED CCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3cnn(CC)c3)c2=O)cn1 732562878 MMLQCIQZIBNCJO-UHFFFAOYSA-N 397.464 -0.419 30 20 GBED CN(C)CCN(CC(=O)O)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 739606909 OCLNATDYGDSHCB-UHFFFAOYSA-N 382.442 -0.410 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCOC 743728904 RCCXTDBCNWZTIK-UHFFFAOYSA-N 384.417 -0.174 30 20 GBED C#CCCN1CCC(NS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)CC1 748671461 OGWZHYGUSLWQRG-UHFFFAOYSA-N 391.453 -0.200 30 20 GBED CCCn1nc(C)c(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1C 755804281 LKDGGVZHGIHDEN-UHFFFAOYSA-N 382.446 -0.380 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)[C@H](C#N)C1 756890186 IIYVYYWRBOPTAN-CHWSQXEVSA-N 386.474 -0.408 30 20 GBED Cc1nc(S(=O)(=O)NCCC(=O)OCCn2ncc(C#N)c2N)cn1C 771599009 FWIDRWAPBBMFGE-UHFFFAOYSA-N 381.418 -0.709 30 20 GBED COc1ccccc1CC(C)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771897326 LOCPZOBKIMTSOE-UHFFFAOYSA-N 380.426 -0.011 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)c1 774835106 FJZXYQAMMDBRDA-ZBFHGGJFSA-N 393.465 -0.036 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cn2ccnc2)C(=O)OC)cc1 779561142 GHHPSSXLDAABBB-OAHLLOKOSA-N 390.421 -0.234 30 20 GBED CN1CCN(CCCCNC(=O)C(=O)NCCNc2ccc(C#N)cn2)CC1 787908757 IUXRHYHXLKYVEG-UHFFFAOYSA-N 387.488 -0.375 30 20 GBED C#CCN1CCN(C(=O)c2cc(=O)cc(C(=O)N3CCN(CC#C)CC3)o2)CC1 827527034 RLQKDLUCWKYZRL-UHFFFAOYSA-N 396.447 -0.578 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CN(CC)C(=O)OC(C)(C)C)CC1 831560990 MNSIACGEUSUGBP-UHFFFAOYSA-N 388.490 -0.145 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CC)N2CCO[C@H](CC)C2)CC1 831574205 AZUXUNMWVLDOIN-HZPDHXFCSA-N 386.518 -0.512 30 20 GBED COC[C@H]1COCCN1C(=O)C(=O)N1CCN(c2snc(C)c2C#N)CC1 910896194 JNDPNPXHXLHGDZ-ZDUSSCGKSA-N 393.469 -0.154 30 20 GBED C#CCN1CCC(C(=O)N2C[C@@H](NC(=O)[C@H]3OCCO[C@H]3C)[C@H](OC)C2)CC1 942519987 SICUTFRPADSNMS-HPBDAGMYSA-N 393.484 -0.523 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc3nnn(C)c23)C[C@@H]1O 970711689 KBOHBAYLNWXGBG-FWYOQMDTSA-N 385.424 -0.139 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 994642410 KUQJZMRLTYFCEW-BHPKHCPMSA-N 390.444 -0.821 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 1024648981 OOIYKRCPOYCPDW-LTZCYQRMSA-N 377.397 -0.724 30 20 GBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CN(c2ccnc(C#N)n2)C[C@@H]1n1ccnn1 1051472823 ZVLRVIGUVXYYGO-ZWUHOBOKSA-N 384.400 -0.710 30 20 GBED C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1077668652 JOAHYRALMNTLFQ-LPWJVIDDSA-N 390.278 -0.308 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CC[C@H](OCCN2CCOCC2)C1 1116492682 PWCANYNUJVQBPU-MJWGMMHASA-N 392.456 -0.147 30 20 GBED CN(CC[C@@H]1CCCCN1C)C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1117318648 YHIXQIHRSXYDBV-HYEKCJMVSA-N 391.472 -0.038 30 20 GBED C[C@]1(C#N)CCCN(C(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 1117337928 FTMWYHKGMNLKQO-QFBILLFUSA-N 377.489 -0.339 30 20 GBED C=C(C)CN(CC)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1220357934 VVDZESWJQCMTNQ-QXSJWSMHSA-N 380.489 -0.526 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(=O)NCCCC)C[C@@H]1O 1220382587 CHOOYQQSACDTKS-KBXIAJHMSA-N 382.461 -0.635 30 20 GBED CS(=O)(=O)NC[C@H]1CCCN(C(=O)C(=O)NCC#Cc2ccccc2)C1 1256943868 KGDUAYLEEHTWMG-MRXNPFEDSA-N 377.466 -0.058 30 20 GBED N#Cc1ccc(CNC(=O)C(=O)NCCCN2C(=O)CNC2=O)cc1Cl 1258248510 PZLIOSPIQCREGN-UHFFFAOYSA-N 377.788 -0.114 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)CCN1C1CC1 1261860715 FNDOAHIPQLTBLK-WBVHZDCISA-N 375.473 -0.634 30 20 GBED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)Cn2ccc(=O)n(C)c2=O)cc1 1263375548 SBTHNAFZXFATNH-CQSZACIVSA-N 397.391 -0.404 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1 1320301787 NYQAVVQXCAFKSR-LBPRGKRZSA-N 385.442 -0.133 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 1321697710 JQPCRJVLUPRVIK-IINYFYTJSA-N 378.351 -0.007 30 20 GBED CCOC1CC(CNC(=O)C(=O)N2CC[C@@](F)(C#N)C2)(N2CCOCC2)C1 1325780773 HUADPHWGEBEUMG-ZCDVPAHGSA-N 382.436 -0.163 30 20 GBED COCCOC1CN(C(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 1327141284 PDZXAXKRBABNMP-UHFFFAOYSA-N 390.444 -0.877 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)nn1 1332043840 SAEZKEDPGMCARF-BXUZGUMPSA-N 386.416 -0.876 30 20 GBED COCCn1c([C@@H]2SCCNC2=O)nnc1N1CCN(CCC#N)CC1 1345082985 DZQZXBVHMDYREV-ZDUSSCGKSA-N 379.490 -0.136 30 20 GBED CCOCCCNC(=O)C1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1345965234 DUYODWXQIFZQLC-LJQANCHMSA-N 394.472 -0.355 30 20 GBED C=C(C)COCCNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1347094129 DTITYKAZWYCLEG-INIZCTEOSA-N 380.489 -0.150 30 20 GBED CCN1CC[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 1349073530 IWXHVTJBGKYHLX-HOTGVXAUSA-N 397.435 -0.093 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2[C@@H]2CCC(F)(F)C2)CC1 1352545641 AGYOBUFIKDUHOC-LLVKDONJSA-N 375.405 -0.377 30 20 GBED C#CCN(CCOC)c1nnc([C@@H]2CCCNC2)n1CCS(=O)(=O)NC 1574667250 OBCSEOJPABBVGC-CQSZACIVSA-N 384.506 -0.620 30 20 GBED C=CCOCCN1CCC(CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1588682229 DUHATZVZYDWDHY-UHFFFAOYSA-N 375.433 -0.046 30 20 GBED C=CCn1cc(C(=O)NC[C@@H](CO)NCc2ccccc2-c2nn[nH]n2)nn1 1588713821 VKYKPBXHEVKDRV-ZDUSSCGKSA-N 383.416 -0.475 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(CC(=O)O)CC1 1589132592 YJXSWRPYTJROLT-LBPRGKRZSA-N 394.453 -0.110 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)C(=O)O)cc1 1599830498 YMRPUCIIPHLVRP-VHSXEESVSA-N 375.428 -0.029 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[nH]n3)n2)nn1 1602882582 OCOMHGMGDDQLBS-GYSYKLTISA-N 393.415 -0.026 30 20 GBED CN(C)C(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780330141 JRARZNFSERAKRB-SFHVURJKSA-N 388.428 -0.399 30 20 GBED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)n1cncn1 1782534101 XJTGAAQCCDFOKC-PMUMKWKESA-N 389.412 -0.559 30 20 GBED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783558831 ZUHHRTNGMKLAJP-KSMMKXTCSA-N 392.408 -0.506 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC=O)[C@H]2C1 1789881405 OHNPNIWKQYGGIS-QXKUPLGCSA-N 382.461 -0.099 30 20 GBED CC(=O)N/C(C)=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1790560532 HHQBKVFVUXESCG-NQDLHCNUSA-N 377.397 -0.906 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@@H]21 1791267041 RSDSLUQJPSSTMW-CYDGBPFRSA-N 378.516 -0.281 30 20 GBED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2 1793352493 TWYPZCDMVYZYKC-ZXFNITATSA-N 379.457 -0.305 30 20 GBED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC)C(=O)O 1795641363 OSAGBLBMPMFMLO-BASYENTBSA-N 397.472 -0.379 30 20 GBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O 1796428062 IBUYYYAFHFOHAW-ZCURGHERSA-N 380.470 -0.045 30 20 GBED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cnnn2)C3)c1 1798859436 UUIWUAFOMCIIPU-SCAQPMJSSA-N 381.396 -0.552 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1cncn1 1801260945 XSMDIJHTUCWKJT-IVSAIRAKSA-N 391.472 -0.169 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1830592541 RNYGWRBZEZCLMN-LIRRHRJNSA-N 378.425 -0.540 30 20 GBED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831214989 GABPHTSZKXXKGO-MGPUTAFESA-N 391.468 -0.277 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831215452 NURVCTDZVLRNAR-DNVCBOLYSA-N 392.456 -0.697 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccn3)C2)C1 1831390938 AKVTUIHJVXMCAP-DNVCBOLYSA-N 388.424 -0.415 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1831426923 MGVNLKVIYXRPQK-YIOZNXECSA-N 382.457 -0.195 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1835357015 FVQBVSDAMXIZEF-KRWDZBQOSA-N 391.384 -0.738 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839785703 ZTYWSRGGVXZTCP-RHSMWYFYSA-N 386.470 -0.404 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839856656 CRYAJZZXVYHIEL-KDOFPFPSSA-N 383.445 -0.830 30 20 GBED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839860842 QRYFCAAZQMQAGC-INIZCTEOSA-N 389.399 -0.210 30 20 GBED CC(C)(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040998 KDAUBKZGWFYCPJ-SFHVURJKSA-N 382.413 -0.654 30 20 GBED CC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816522 YLVCLTTYSWMQAK-IBGZPJMESA-N 392.456 -0.337 30 20 GBED C=C(C)CN(CC)C(=O)COC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 24725157 GYWRNHNZNAHZQM-UHFFFAOYSA-N 377.401 -0.599 30 20 GBED C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 271854876 NBHNCZKWUMFJDG-LLVKDONJSA-N 376.417 -0.500 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N(C)CCCN1CCN(C)CC1)c1cc[nH]n1 276674434 ZPUJRQCSLSWPFH-HEHNFIMWSA-N 394.476 -0.211 30 20 GBED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 292037179 ABXVRDMOUQRKPG-DGCLKSJQSA-N 398.423 -0.343 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCS(N)(=O)=O)cc1 298680323 NAMMINPCOUCOAY-UHFFFAOYSA-N 376.460 -0.097 30 20 GBED C[C@@H]1CCCCN1C(=O)CN1CCN(/C(O)=N/CC(=O)N2CCOCC2)CC1 329240064 QTBAKUDDZOGLFY-MRXNPFEDSA-N 395.504 -0.222 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](C/N=C(/O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)O1 329357534 GATIZILMTKOYNS-PMPSAXMXSA-N 395.504 -0.225 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)C(C)(C)C1=O 349452753 DPANRQSHBRBPKP-UHFFFAOYSA-N 394.519 -0.566 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)[C@H]2C)c1C#N 349470497 SSGNZJYOZADIRH-ZYHUDNBSSA-N 391.475 -0.494 30 20 GBED CC[C@@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N 349517573 FSMUGOYPFHMAEV-NWDGAFQWSA-N 380.492 -0.910 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CCN(CC#N)CC2)no1 349528291 XPZCNFQYSVHRHA-UHFFFAOYSA-N 391.475 -0.414 30 20 GBED CC#CCN(C)S(=O)(=O)CCCCS(=O)(=O)Nc1nc2ccccn2n1 349609979 PTEJLFPGNBHTQH-UHFFFAOYSA-N 399.498 0.536 30 20 GBED N#Cc1ccc(OC2CN(C(=O)C(=O)N3CC[C@H](N4CCNCC4)C3)C2)cc1 423565957 PRVFWBOZLKZIAV-INIZCTEOSA-N 383.452 -0.346 30 20 GBED CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 430444927 IOAYYWBXHRZBHJ-IBGZPJMESA-N 395.423 0.371 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC3(N(C)C)CCC3)CC2)c1C#N 500470146 XRHCXDIKNJFDKW-UHFFFAOYSA-N 387.488 -0.151 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(C(N)=O)n1 504660853 MQZQIDBDEWMSSG-NSHDSACASA-N 394.395 -0.482 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2cc[nH]n2)cc1 505158648 LOKIEXSYXXDTNK-UHFFFAOYSA-N 384.396 -0.190 30 20 GBED CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCC#N)c1 509011350 BJNCIKCRHUJDLE-UHFFFAOYSA-N 395.441 -0.541 30 20 GBED N#Cc1cccc(C2(C(=O)N3CCN([C@H]4CS(=O)(=O)C[C@H]4O)CC3)CC2)c1 526072397 FXXKGYOCKSXPPU-DLBZAZTESA-N 389.477 -0.108 30 20 GBED CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2ccc(C#N)cc2OC)C1 527205997 CGWIZUPLWLATCS-UHFFFAOYSA-N 380.426 -0.097 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H](O)[C@H](N(C)CC(=O)OC(C)(C)C)C1 558107578 YNEJQIVLPGTVNW-MGPQQGTHSA-N 384.477 -0.295 30 20 GBED C=CCN1CC[C@H](N2CCN([C@@H]3CCN(CC=C)C3=O)[C@@H](CCO)C2)C1=O 568289837 QWUIXRGVFYHXCO-OKZBNKHCSA-N 376.501 -0.071 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NC2(CC(N)=O)CCC2)cc1 581559356 WMXMTBMHTKEVSH-UHFFFAOYSA-N 386.455 -0.435 30 20 GBED C[C@H]1CN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC[C@@H]1N1CCN(C)CC1 601472586 XTATUDGXPQDBAN-ROUUACIJSA-N 390.532 -0.471 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)NCC(=O)Nc2ccccc2CC)CC1 728573724 SZNDEJDJCZWUGB-UHFFFAOYSA-N 399.495 -0.329 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCCN2C(=O)NC3(CCCC3)C2=O)C1=O 744918021 CWVIVHYMUZFPTE-UHFFFAOYSA-N 392.368 -0.629 30 20 GBED Cn1cnc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(C#N)cc2)c1 756465795 WVFRCGDPFABNCB-UHFFFAOYSA-N 377.382 -0.248 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cccc(C(=O)OC)c2)CC1 761024922 RPEKDZSHEKSDSC-UHFFFAOYSA-N 394.453 -0.503 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCCS(N)(=O)=O 767675599 KEVGHQVYPOGSSO-JTQLQIEISA-N 375.428 -0.553 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21)[C@@H]1CCCO1 773798481 UFOYITVRFQXUCN-HOCLYGCPSA-N 391.449 -0.219 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 783350873 RDQAOYXHCRULGB-UHFFFAOYSA-N 380.426 -0.468 30 20 GBED C[C@@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)CCN1CC(C)(C)O 787776541 GPUYHGLEQLSASO-CQSZACIVSA-N 388.472 -0.215 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)[C@@H]1CCCO1 805341696 PEFLMOVEXPINKV-HOTGVXAUSA-N 393.465 -0.004 30 20 GBED Cn1cc(S(=O)(=O)N2CCC(NC(=O)[C@](C)(C#N)CC(=O)O)CC2)cn1 821297829 KCTNRXMGUPEJTI-HNNXBMFYSA-N 383.430 -0.306 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CC(OC)C2)cc1 848565011 FAZVPYVZTXEVPT-UHFFFAOYSA-N 383.451 -0.147 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2nc3c(s2)CCC3)CC1 896668201 VCPNKTHYNWAMBX-UHFFFAOYSA-N 397.526 -0.031 30 20 GBED C=CCSCCNC(=O)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 897561061 XFFXWAIQKALSJA-MRXNPFEDSA-N 384.546 -0.065 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@@H]21 975843402 NFJGLENVWBPJEY-CRWXNKLISA-N 391.428 -0.270 30 20 GBED Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C#N)c[nH]2)c(O)nc1=O 1002771815 NQAFYFAQBDUIPN-QKCSRTOESA-N 382.380 -0.139 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccn3nnnc23)C[C@H]1O 1023942257 ROLXQXQFJRHVOK-MYPMTAMASA-N 386.412 -0.593 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3c(cn2)OCCO3)C[C@H]1O 1025711985 CMXONZKXJHIGRE-NGFQHRJXSA-N 389.408 -0.255 30 20 GBED C#CCNC(=O)CC(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1080925288 NAESPDLUKVHNJN-JSEZXORMSA-N 389.452 -0.981 30 20 GBED N#Cc1nccnc1N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1cc[nH]c(=O)c1=O 1092989991 NGHOCIPKCBDICL-BZPMIXESSA-N 381.396 -0.486 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnnn1C 1110506635 YYKLMODISCXNHQ-LPWJVIDDSA-N 375.433 -0.450 30 20 GBED COCCN(CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)c1nccnc1C#N 1126568298 JVGCNBPUWUASLJ-OFQRWUPVSA-N 375.429 -0.031 30 20 GBED CCN(CC)C(=O)N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1261850071 YNAXQRGNLNBINU-MRXNPFEDSA-N 390.488 -0.209 30 20 GBED C#CCN1CCN(c2nnc(Cc3nc(COC)no3)n2CCOC)CC1 1263273781 LDMSZVJJSQDQLF-UHFFFAOYSA-N 375.433 -0.200 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1321242192 VDPWHDJBHOTKBA-MGPQQGTHSA-N 393.444 -0.225 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cnn(CC(=O)OC)c2C)CC1 1321466106 WOALLWYIDRLJGC-UHFFFAOYSA-N 389.412 -0.709 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(C(=O)N(C)C)cc1 1321476044 HKCXNFZWIRDFAY-UHFFFAOYSA-N 381.454 -0.278 30 20 GBED N#CC1(NC(=O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)CCCCC1 1322484253 UGXYMBVNWFVNAO-UHFFFAOYSA-N 382.442 -0.172 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H](C4OCCO4)C3)CC2)cn1 1335654882 HAMALPKOSRODDA-CQSZACIVSA-N 385.424 -0.177 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)CC1 1342828457 BUERIACQQGOKTL-JKSUJKDBSA-N 385.534 -0.098 30 20 GBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(CCOCCOC)CC1 1355378125 CVWMVLLNLXKPMV-HNNXBMFYSA-N 378.477 -0.147 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[nH]n2)nc1 1573309585 LDRZKSJHNDLDBW-GUYCJALGSA-N 375.433 -0.156 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(c3cc(C)ncc3-c3nn[nH]n3)C[C@H]2O)nn1 1573350551 GHKGKCGFJUXDLQ-IUODEOHRSA-N 396.415 -0.673 30 20 GBED C#CCOCCC(=O)N(C)C1CCN([C@H](C)C(=O)NCc2cnn[nH]2)CC1 1575012450 AVVCGDOQBRZXMF-CQSZACIVSA-N 376.461 -0.228 30 20 GBED C#Cc1cncc(C(=O)N2CCC[C@@H](CNCC(=O)NCc3cnn[nH]3)C2)c1 1575032583 FEQAJGDHCZGIHY-HNNXBMFYSA-N 381.440 -0.061 30 20 GBED CC#CCN(Cc1cnn[nH]1)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)C 1575118035 JTJLHXBGBPKYJC-UHFFFAOYSA-N 399.459 -0.250 30 20 GBED C#CCOCCC(=O)NC[C@@]1(C)CN(c2nccnc2-c2nn[nH]n2)CCO1 1588361092 DMKOLQAQJFCMJD-KRWDZBQOSA-N 386.416 -0.592 30 20 GBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 1588505452 RDXXTBQQMAPCBM-KRWDZBQOSA-N 390.419 -0.004 30 20 GBED C=CCCn1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2-c2nn[nH]n2)nn1 1588620909 MHNNXGGIGULMIB-UHFFFAOYSA-N 385.392 -0.154 30 20 GBED C=CCNC(=O)NC(=O)CN(C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588658232 CPPJNZIZAQOWMK-JTQLQIEISA-N 389.420 -0.743 30 20 GBED C[C@H](Nc1cnc(-c2nn[nH]n2)cn1)[C@H]1CN(C(=O)CSCC#N)CCO1 1589987324 IUDQHSRCSGVFDB-CMPLNLGQSA-N 389.445 -0.059 30 20 GBED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 1594248022 UUABFAHNVQIFSI-CYBMUJFWSA-N 381.410 -0.081 30 20 GBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)N1CCN(Cc2cccs2)CC1 1606355472 CUSFVCKSXZDBAA-UHFFFAOYSA-N 398.456 -0.077 30 20 GBED N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC(=O)NCC(F)F)CCO1 1712886260 NNTYNSMGMZZLMS-NSHDSACASA-N 397.386 -0.489 30 20 GBED C[C@H](CN)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779105267 SIIYNJBHQZENPS-WAOQFGCASA-N 382.461 -0.060 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OC)nn3)C2)C1 1779894565 UMRCGUOEXZTVAC-IFXJQAMLSA-N 388.424 -0.033 30 20 GBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)CCO2 1783052274 CIDYMSBDNOQEPF-KUHUBIRLSA-N 395.456 -0.275 30 20 GBED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]2C1 1784444539 NXZFVMSOQVEQOB-QPSCCSFWSA-N 387.502 -0.130 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N(C)C(C)=O)C[C@@H]21 1784482011 APWBEPSLNAYCBH-YFUQURRKSA-N 393.484 -0.129 30 20 GBED COCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786368710 NOUQJXPQANUTDL-ULQDDVLXSA-N 397.472 -0.051 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@@H]21 1791259595 BRHBNSRJOPPXLN-QMVSFRDZSA-N 392.543 -0.035 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCn2cncn2)C3)c1 1798695268 XSGQYNNPNACZPS-XOIINTDNSA-N 383.412 -0.229 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N(C)CC)C2)C1 1831399557 WWBSWPMGNBZCIJ-MBOZVWFJSA-N 395.500 -0.179 30 20 GBED N#CCC(=O)NC1CCN(C2CCN(C(=O)CN3CCOCC3)CC2)CC1 1834398932 BBZZBSNGJOZBFS-UHFFFAOYSA-N 377.489 -0.196 30 20 GBED Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)n1 1836074985 NWDVCGGDGCVVDX-BZNIZROVSA-N 384.458 -0.305 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1837402815 FLOVCVVUNASLKG-LIRRHRJNSA-N 397.472 -0.719 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1839224112 FACRNHAWJXHTMR-GUYCJALGSA-N 394.432 -0.324 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839862082 RQQDHVHQBXYFNY-KBXCAEBGSA-N 383.445 -0.701 30 20 GBED Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cn1 1840464291 JHQRMEFRHJQCPR-LJQANCHMSA-N 387.440 -0.277 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840592349 GOTTWIRJZBHPLJ-JXFKEZNVSA-N 394.468 -0.214 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)c1ccc(C)cc1)CCO2 1840906306 VXGYMSZMMSDGIU-NRFANRHFSA-N 399.447 -0.186 30 20 GBED CN[C@H](CC(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2)C(=O)O 1842951528 OLCVNKDFLSIMFQ-OAHLLOKOSA-N 391.468 -0.049 30 20 GBED C=CCSCC(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843234129 NIQQEKRACSPXMC-UHFFFAOYSA-N 389.441 -0.451 30 20 GBED O=C([C@@H](O)N1CCOCC1)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844314505 RDCLCSOFVZLRKG-MLHZQLSASA-N 390.440 -0.448 30 20 GBED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 57672110 ORCZILNAZRJBCQ-UHFFFAOYSA-N 399.451 -0.192 30 20 GBED Cc1ccnc(N2CCN(/C(=N\CC(=O)N(C)C)NCC(=O)N(C)C)CC2)c1 262291675 LKTMPTFDJFJCMA-UHFFFAOYSA-N 389.504 -0.366 30 20 GBED CCNS(=O)(=O)[C@@H]1CCN(/C(=N\C(C)C)NC[C@H]2CCS(=O)(=O)C2)C1 262363164 HERROHKOFSFHQW-ZIAGYGMSSA-N 394.563 -0.211 30 20 GBED CC/N=C(/NC[C@H]1CN2CCN1CC2)N1CCN(CC(=O)N2CCCC2)CC1 262766669 GIKSEGGOMWPYPL-SFHVURJKSA-N 391.564 -0.808 30 20 GBED O=C(C#Cc1ccc2c(c1)OCO2)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 268525441 HDNCPQYVNVPVBU-HUUCEWRRSA-N 392.433 -0.619 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)C1=O 270385727 WQXKWKYRYVGWLF-KGLIPLIRSA-N 375.381 -0.436 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](O)C(=O)OCc2ccccc2)C1=O 271298210 HOGDMXGJQXNPEI-CYBMUJFWSA-N 389.364 -0.816 30 20 GBED O=S(=O)(CC/N=C(/O)N1CCO[C@]2(CCOC2)C1)NC[C@H]1CCCCO1 329973497 YRBWFAWDFQJQAT-GDBMZVCRSA-N 391.490 -0.120 30 20 GBED C[C@H]1c2nncn2CCN1S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 349459649 OEOMWDIUEYXRPL-NSHDSACASA-N 388.475 -0.650 30 20 GBED CO[C@@H]1[C@H]2C[C@@H]3CN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)[C@H]1[C@H]3C2 349475337 FCAFMLNASXTHAM-RODWMJHOSA-N 391.515 -0.107 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCS[C@H]2COCC[C@@H]21 349486266 BYOIVVMSZXGVRP-STQMWFEESA-N 397.544 -0.302 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CN(C)C[C@@H]2C1 349496094 PANQBSVJKMKXNG-MJBXVCDLSA-N 378.520 -0.579 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(C#N)cn1 349520979 SFNQQZJYKFLXAU-LBPRGKRZSA-N 385.471 0.506 30 20 GBED CC#CCN(C)S(=O)(=O)CCCCS(=O)(=O)Nc1nc(C)n(C)n1 349614557 XVFXGUWRPFHVQR-UHFFFAOYSA-N 377.492 -0.070 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)C1=O 372737654 GDULLBWCMLXBRK-OAHLLOKOSA-N 391.472 -0.410 30 20 GBED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)n1 377928899 SWJZAXCBBJEJIW-NSHDSACASA-N 381.352 -0.260 30 20 GBED C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 410153844 GJTLYIYIFZPWHD-YPMHNXCESA-N 388.471 -0.204 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3CN)CC2)c1C#N 420021268 TZJMLTJEVNXKTR-GOEBONIOSA-N 387.488 -0.118 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(C)c(S(C)(=O)=O)c2)C1=O 436243098 XELBKUALOZYYCW-UHFFFAOYSA-N 393.421 -0.008 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(C(=O)[C@@H](C)O)CC1 462027136 QLQANYJNFAIDGW-CYBMUJFWSA-N 383.412 0.504 30 20 GBED Cc1nn(C)c(N2CCN([C@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)CC2)c1C#N 472149105 BMMMZRYXOMSMFS-CABCVRRESA-N 387.488 -0.165 30 20 GBED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N(C)C)cc1 572294216 DKRIASGBWDWUIZ-UHFFFAOYSA-N 397.457 -0.060 30 20 GBED COCC[C@](C)(O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 575330714 DPSXKIVHTOZFBE-AWEZNQCLSA-N 391.471 -0.446 30 20 GBED Cn1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1C#N 588959729 NIPUOTNFQPRNBY-UHFFFAOYSA-N 376.398 -0.040 30 20 GBED COCCCNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767630390 ZTLXUYMTBQQSGG-GFCCVEGCSA-N 383.426 -0.079 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)OC)CC1 772689655 BTGRQFJAGXWCHD-JKSUJKDBSA-N 399.513 -0.195 30 20 GBED Cc1oc(C#N)cc1C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 797884904 AUVLXANEYCJXMP-CYBMUJFWSA-N 395.437 -0.052 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(CO)COC(C)(C)OC1 834489558 UOCNKLSIIYEMGS-GFCCVEGCSA-N 397.453 -0.145 30 20 GBED C=CCCn1cc(COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)nn1 848696498 KJGKSMYYLDANHY-UHFFFAOYSA-N 387.400 -0.265 30 20 GBED Cc1onc(CC(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c1C#N 854832804 JQASJUMYGIFOIZ-UHFFFAOYSA-N 389.459 -0.486 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCc1cccnc1N1CCN(C)CC1 875136025 CTWZSIKYCHNHQF-KRWDZBQOSA-N 387.484 -0.006 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 892498712 JSHFRRALKZQHIL-GFCCVEGCSA-N 397.423 -0.582 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@@H]1O 964490747 ZLMXZLAEZVLOFR-DFGXFYAUSA-N 381.473 -0.622 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COc2c(C)nn(C)c2C)C[C@@H]1O 970707505 YNCNVTHYEXQXKN-WCVJEAGWSA-N 392.456 -0.305 30 20 GBED C=CCCn1cc(C(=O)N2C[C@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@]3(C)C2)nn1 992969430 ZPCAVCMKZWEWEJ-PXWIGAEESA-N 386.456 -0.104 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(OC)nn2)C1 1025651076 AGORAEMKNSLKOF-NGFQHRJXSA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)CC(C)(C)C2=O)C[C@H]1O 1025710534 UJLZCZXLLQQGKE-SYQHCUMBSA-N 393.440 -0.950 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1n1ccnn1 1069929753 OPTJIJNHGOYOJC-NCOADZHNSA-N 388.472 -0.121 30 20 GBED Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)NC3CCN(CC#N)CC3)C2=O)n1 1117326733 NDCTUFZUXGRHED-CQSZACIVSA-N 387.444 -0.864 30 20 GBED C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1 1117888273 HQEJPAPPHDCVKL-BEFAXECRSA-N 393.463 -0.004 30 20 GBED CN1CCC(N2CC[C@@H](NC(=O)NCCn3cc(C#N)c(O)nc3=O)C2)CC1 1222012218 YPYXBUBHNOYUTR-CQSZACIVSA-N 389.460 -0.712 30 20 GBED CN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 1324039624 QWXUJBDZVPUVNF-HUUCEWRRSA-N 383.408 -0.483 30 20 GBED COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC(CC#N)CC2)cn1 1325147265 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MYXSJRIISFZBSE-KGLIPLIRSA-N 392.460 -0.509 30 20 GBED C#CCNC(=O)[C@@H](C)N1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C(C)(C)C1 1588352924 AKGKRWSZIQSVBO-RISCZKNCSA-N 384.444 -0.227 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1C 1588354109 FUXHVRPMRRLWEF-JQWIXIFHSA-N 384.400 -0.947 30 20 GBED C#CCOCCC(=O)N1CCO[C@H]([C@H](C)N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1588359411 NQDGLLYABZERNS-STQMWFEESA-N 386.416 -0.854 30 20 GBED CCNS(=O)(=O)CCNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1590744981 BQQCDVHDMUFXER-CYBMUJFWSA-N 377.430 -0.396 30 20 GBED CN1CCN(CCN(CC(=O)O)C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 1606241075 GKTUSPFEWXYUTO-UHFFFAOYSA-N 387.440 -0.551 30 20 GBED C#CCN(C(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCS(=O)(=O)C1 1609020785 IHYSQEDOJKGXJS-ZDUSSCGKSA-N 388.409 -0.546 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](CO)CN1CCCC1 1628964519 OSYBAXCBOFHXNH-HIFRSBDPSA-N 380.470 -0.202 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC(C)=O)CCO2)C1 1778973326 ISVIWFADYQIQGZ-RFUYNDQBSA-N 381.473 -0.086 30 20 GBED C[C@H](CN)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779105263 SIIYNJBHQZENPS-HMUFYHRRSA-N 382.461 -0.060 30 20 GBED CCNC(=S)NCC(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1782640480 RVHOUBADPRNWRI-SFHVURJKSA-N 378.498 -0.286 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(N)=O 1793432964 TZELOIZLQKYHBV-QKDZRIPBSA-N 382.461 -0.112 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]nc2ncccc12 1796219597 JFSJIGZVSCFFKB-QHBPRCKVSA-N 383.364 -0.751 30 20 GBED COCc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c1 1798511983 VSEODFNHLNRQCV-FVCICTRLSA-N 375.381 -0.548 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2 1799394071 SYPVYCBPAZVJKN-GUIRCDHDSA-N 379.421 -0.936 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)Cn2cncn2)[C@@H]1c1cccnc1 1807604275 IGJPLSNJCGQSCA-KSSFIOAISA-N 382.380 -0.533 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834758326 LHCCUHJYAZYODD-GOSISDBHSA-N 377.445 -0.362 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@@H](NC)C(=O)O)CCO3)C2)C1 1835752209 PEEOHIFFIJMPPN-DNVCBOLYSA-N 395.456 -0.528 30 20 GBED N#CCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1837634299 IZKDRAJTSWPZQI-HNNXBMFYSA-N 379.461 -0.509 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1839808049 SMWOVMBNJUXOJY-GOSISDBHSA-N 375.381 -0.901 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nc(C)no3)C2)C1 1840841801 XBIWVBMBVSEXTN-GOSISDBHSA-N 376.413 -0.210 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1840844592 DKROHMSXMNOFDT-GOSISDBHSA-N 375.429 -0.462 30 20 GBED CN1CCN(CC(=O)N2CC3(CCCN3C(=O)C(C)(C)NCCC#N)C2)CC1 1842920457 OCGBRZOJWXKXLL-UHFFFAOYSA-N 390.532 -0.281 30 20 GBED N#C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 264386183 MGQZLTUPVLVDKA-GFCCVEGCSA-N 383.386 -0.193 30 20 GBED Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 265857523 JJFFYPATIOWHHY-UHFFFAOYSA-N 376.438 -0.022 30 20 GBED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NCCOC)CC1 282643456 PZVKJQKJQAJXDE-UHFFFAOYSA-N 393.492 -0.513 30 20 GBED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCNS(=O)(=O)N(C)C 288375273 YXEDTUKJZPTNSE-UHFFFAOYSA-N 393.473 -0.337 30 20 GBED CC/N=C(/O)CN1CCN(/C(O)=N/[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 328814782 OBCCNAKGXVVRCA-CYBMUJFWSA-N 375.495 -0.082 30 20 GBED O=S(=O)(c1ccc2c(c1)OCCO2)N1CC(/N=C(/O)N[C@@H]2[C@H]3COC[C@H]32)C1 330022885 HTYOHGLQUNYKCK-VIKVFOODSA-N 395.437 -0.021 30 20 GBED CN1CCN(C(=O)CC/N=C(/O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)CC1 330122894 ALHXWMDVKRODLU-ZDUSSCGKSA-N 375.495 -0.970 30 20 GBED COCCN(C)CCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 363670284 FDGGAHFCSCOLGR-UHFFFAOYSA-N 388.403 0.516 30 20 GBED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC(O)(CC#N)C2)C1 373591257 DZRZRBBNYQIXGO-CYBMUJFWSA-N 381.458 -0.086 30 20 GBED C[C@@H](CN1CCN(c2ccccn2)CC1)NS(=O)(=O)N1CCO[C@@H](C#N)C1 410127562 BIMCOWOLGYZUBN-HOTGVXAUSA-N 394.501 -0.349 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCCO[C@@H](CN)C3)C2=O)cc1 418912128 RBFIEZVCXSWGCQ-IRXDYDNUSA-N 399.451 -0.254 30 20 GBED Cn1cc(CN2C[C@@H](F)C[C@H]2CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cn1 509255323 NPOTWTIBHUKLLA-KKUMJFAQSA-N 386.453 -0.609 30 20 GBED C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 539213312 IKMQZPYXDNDHIY-CQSZACIVSA-N 387.440 -0.037 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 558118413 ICHAPRJIQZNTSM-UHFFFAOYSA-N 387.440 -0.569 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](c3ncon3)C2)cc1 563190491 SEJQFSANXAAAOM-CYBMUJFWSA-N 377.382 -0.180 30 20 GBED N#Cc1cc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cn1 568999368 CWDMMGNJDRNYLY-UHFFFAOYSA-N 387.421 -0.352 30 20 GBED CC(C)(O)CN1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 576154527 UXVSXWBCMLNODY-UHFFFAOYSA-N 380.470 -0.248 30 20 GBED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3nc(C(N)=O)cs3)CC2)n1 595166545 OWBZFSHJTSRPMF-UHFFFAOYSA-N 399.436 -0.526 30 20 GBED COc1cc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)c(F)cc1C#N 599934629 OGUCPFMSGVFDJN-UHFFFAOYSA-N 384.389 -0.252 30 20 GBED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCC(=O)NCCO)cn2)c1 615219843 AVGACCMWZYJLAE-UHFFFAOYSA-N 383.364 -0.091 30 20 GBED Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)NCC#N)C1 731238237 AWMBKMPCVNNGID-GFCCVEGCSA-N 384.414 -0.125 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745482623 PTNHVMHHUZMCPA-CFMPDUIESA-N 377.397 -0.254 30 20 GBED COC(=O)c1cc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)cn1C 745936308 JIGBRYOXGJRVES-YPKPFQOOSA-N 382.398 -0.384 30 20 GBED N#Cc1ccsc1N1CC[C@@H](OC(=O)Cn2cc(S(N)(=O)=O)cn2)C1=O 751656518 KWGGEAZCKZXXLR-LLVKDONJSA-N 395.422 -0.188 30 20 GBED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NOCC(N)=O)nnc12 772939052 ATENAARHIFZZIZ-UHFFFAOYSA-N 388.409 -0.145 30 20 GBED CC[C@]1(c2ccccc2)NC(=O)N(NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1=O 800130735 OUXGUCLSSLKAQZ-XJKSGUPXSA-N 393.425 -0.183 30 20 GBED C=CC[C@H](NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccncc1 805808205 CLLLIKXYIIFXCA-HNNXBMFYSA-N 398.427 -0.828 30 20 GBED C#CCNC(=O)CCNC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 819210501 FQKJAJYXQWHKKW-UHFFFAOYSA-N 379.438 -0.440 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1ccccc1-c1nn[nH]n1 826477734 JYNUBUMKIRUAEJ-SQFISAMPSA-N 389.397 -0.329 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=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 831574263 BZDCAFZKOZHWFU-UJBUEHBQSA-N 375.494 -0.008 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)OCCN2C(=O)N[C@H](C)C2=O)c1 837397429 HHAWYJYISODRCN-LLVKDONJSA-N 379.394 -0.305 30 20 GBED C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1cc(N(C)C)ncn1 848965212 LCIYFZMFFQTZAT-LLVKDONJSA-N 375.476 -0.385 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCN(C)c2ccccc2)CC1 891667581 FHRXQMCHBLWYGM-UHFFFAOYSA-N 379.486 -0.082 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(CN(C)C)CCCC2)CC1 894201428 NDCVXESCQDTZJI-UHFFFAOYSA-N 385.534 -0.097 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 967420022 KKLQHPLZYZORPF-MWNCTCPHSA-N 388.424 -0.537 30 20 GBED C#CCOc1ncccc1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cnnn1 995716900 ZGXSDBHRGNHGEP-SNPRPXQTSA-N 381.396 -0.358 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2CC(=O)NC2=O)cn1 998950854 QTPPPVJCCISMAI-UKMLZYKCSA-N 380.404 -0.023 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ncn(C)c1=O 1003784441 LUJKKGYBYAGRKK-NMNMXBMNSA-N 389.456 -0.189 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)o1 1109774861 NXMHOGWCNQZPKL-AGIUHOORSA-N 379.438 -0.232 30 20 GBED C#CCNC(=O)CNC1CC2(C1)CC(NC(=O)[C@@H]1OC[C@@H]3COCC[C@@H]31)C2 1121457539 GFDHPMLYIBKWNC-PTMUUBQLSA-N 375.469 -0.196 30 20 GBED C=CCOCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1128993563 FBMXLNJKCGSMCO-FPCVCCKLSA-N 376.461 -0.263 30 20 GBED CC#CCN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1c1cncn1C 1131070344 QILQFNQOBVFPQW-XYVMCAHJSA-N 387.484 -0.037 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1ccccc1F 1205653108 FTCOPYBJMMHDFY-WBTNSWJXSA-N 386.427 -0.420 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCCOCC)C[C@@H]1O 1220513045 PVLRRQJCZVCBRB-DFGXFYAUSA-N 383.489 -0.328 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@](O)(C2CC2)C1 1325112163 QCWHFTFWPZOMBZ-BFUOFWGJSA-N 384.440 -0.241 30 20 GBED CCOCCOC1CN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)C1 1325441069 MKAAIZNCYRZKPG-UHFFFAOYSA-N 387.440 -0.134 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC[C@H](N2CCNCC2=O)C1 1326688378 QTDPGDYPFAYDRW-BZSIDJSBSA-N 375.429 -0.674 30 20 GBED N#Cc1ccc(OC2CN(C(=O)C(=O)N[C@H]3CCc4nnnn4CC3)C2)cc1 1327838966 KJPHTZBBCKAEJG-ZDUSSCGKSA-N 381.396 -0.344 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)CN2CCCC2=O)c1 1332192263 NABCEOLRAOFIKJ-CQSZACIVSA-N 379.438 -0.689 30 20 GBED C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 1338694109 QPAMMBYLSCFJPW-GFCCVEGCSA-N 379.442 -0.760 30 20 GBED C=CCn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@@]1(O)CCOC1 1339912519 ZVKOMCQHRYOAJW-GOSISDBHSA-N 378.477 -0.281 30 20 GBED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)N1CCOCC1 1340961818 UEDOAEGXDKADQA-UHFFFAOYSA-N 378.414 -0.446 30 20 GBED C[C@@H]1CN(c2ccc(CNC(=O)Cn3cc(C#N)c(O)nc3=O)cn2)CCO1 1441360556 WSQKAYYECFUQJY-GFCCVEGCSA-N 384.396 -0.243 30 20 GBED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCN(C)C1 1508412354 PVIQKKRPHRDUJC-DVOMOZLQSA-N 399.521 -0.449 30 20 GBED COC(=O)COc1ccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 1515068632 XRGAKXOZGBOSLL-AWEZNQCLSA-N 394.405 -0.182 30 20 GBED C=C[C@](C)(O)CC(=O)NCCN1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 1573309247 FVAURELHMZYREF-KRWDZBQOSA-N 387.448 -0.778 30 20 GBED CC(C)C#CC(=O)N[C@@H]1COC2(C1)CN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 1573946637 HSNSBUZNNCODHV-ZDUSSCGKSA-N 383.412 -0.046 30 20 GBED C=CCCO[C@@H](C)C(=O)N1CCN(C(=O)CC(=O)NCc2cnn[nH]2)CC1 1575100600 SQDXUEPLWDJDEI-ZDUSSCGKSA-N 378.433 -0.537 30 20 GBED N#C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 1581856770 CJENWSZAKABXTH-LLVKDONJSA-N 375.414 -0.093 30 20 GBED C#CCNC(=O)[C@@H](C)NCC1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1588353163 JAQZOKCBAAIKHT-GFCCVEGCSA-N 384.444 -0.226 30 20 GBED C=CCOCC(=O)NCC1(O)CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 1588675220 ZEDMPFNPAXRZNI-UHFFFAOYSA-N 376.392 -0.129 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@]2(C(=O)O)C[C@H](OCC)C2(C)C)C1=O 1588832108 BIWSCUNTGHWWGZ-BTDLBPIBSA-N 381.385 -0.262 30 20 GBED Cn1cc([C@@H]2C[C@@H](C(=O)O)CN(S(=O)(=O)N3CCO[C@H](C#N)C3)C2)cn1 1594533614 BCSUJEWGXXKUBC-YRGRVCCFSA-N 383.430 -0.621 30 20 GBED C[C@]1(C(=O)O)CCN(/C(=N/CCCN2CCOCC2)NCCn2cncn2)C1 1603297125 HXOWOZYAXOMELL-SFHVURJKSA-N 393.492 -0.257 30 20 GBED CN1CCC(N(C)CCN(C)C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1628254303 ZZZHMNCCKLANPW-UHFFFAOYSA-N 376.461 -0.305 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778258415 UAOFDTOHTBBPCS-PXNSSMCTSA-N 392.500 -0.898 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1778963977 CTVVUYHUBRCYRB-AUUYWEPGSA-N 396.488 -0.339 30 20 GBED Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c(O)n1 1789311488 DNCWOLMRXBEXBC-QEJZJMRPSA-N 387.392 -0.223 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790911599 HDEXFTYEYNBGGS-XSLAGTTESA-N 397.516 -0.535 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=S)NC)C2 1793358264 ZSYOPWVHWBOTMS-HGTKMLMNSA-N 398.529 -0.349 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)n(C)n1 1794324146 ATKXETSFLQTMAL-LMWOUKEDSA-N 392.456 -0.098 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1c(=O)n(C)c3ccccc31)C2 1800452773 WKUPGVZQDBXZGX-HBCWATKFSA-N 382.420 -0.437 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccncc1=O 1801252034 NIFJIVOLEQOSBF-QSTDJZKOSA-N 399.451 -0.260 30 20 GBED COCCOCC(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1806761166 COYWDGNLFQFWEP-KXBFYZLASA-N 389.408 -0.162 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835656641 PGGMCZKAIYVIPT-IAQYHMDHSA-N 390.531 -0.222 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnc[nH]4)C3)C2)c1 1838736260 ULNKUPMOHLYIDU-IBGZPJMESA-N 398.423 -0.078 30 20 GBED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839875671 RZGXZVDIVWKZKU-AUUYWEPGSA-N 377.441 -0.619 30 20 GBED CC/N=C(/NCCN1CCOC[C@@H]1C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 261753235 MBETWQLTSNVLBQ-IFXJQAMLSA-N 394.520 -0.017 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@@H]2C(=O)NCCCC)C1=O 264208085 RBXPBTWLBIUVBF-LLVKDONJSA-N 382.442 -0.219 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 286719857 QWQPTESYALCLBL-UHFFFAOYSA-N 391.516 -0.480 30 20 GBED CS(=O)(=O)N1CCc2c(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)cccc21 331729848 PAHZERXBQUDPON-NSHDSACASA-N 378.410 -0.302 30 20 GBED C[C@@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N[C@H](C#N)C(C)(C)C 349515965 BZDDTXKPWBAJAU-VXGBXAGGSA-N 394.519 -0.616 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CCO1 410157584 ZPFPMCXIXFMDBV-GDBMZVCRSA-N 394.453 -0.275 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@H]5O)CC2)c1C#N 410751634 XOSBMWGKJWYMEK-QZLJAVCYSA-N 398.467 -0.524 30 20 GBED C[C@H](O)CN(C(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@@H](C)CO 410862577 GMTVAUNYNHKZOZ-KBPBESRZSA-N 392.431 -0.064 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@@H](CO)O[C@H](C)C3)CC2)c1C#N 410977676 KVVYTNPWEAOXPJ-YPMHNXCESA-N 393.469 -0.420 30 20 GBED CCNS(=O)(=O)c1cccc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)c1 413389201 UCGWPRSZRFQMHJ-UHFFFAOYSA-N 377.426 -0.134 30 20 GBED CC(C)N(C[C@H](O)CO)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 421306019 NJRARSXCULURSW-LBPRGKRZSA-N 389.387 0.412 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](C(N)=O)C(C)(C)C 439809620 OYSIFLPPMXVZSP-CYBMUJFWSA-N 383.412 0.402 30 20 GBED CN(CCN(C)S(=O)(=O)N(C)CCC#N)c1ccc(S(N)(=O)=O)cc1 451740589 LUHJEYJKYUMECR-UHFFFAOYSA-N 389.503 -0.208 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)NCCNS(=O)(=O)N(C)[C@H](C)CC#N 554661712 NNNLSESPPSOMAM-VXGBXAGGSA-N 380.496 -0.877 30 20 GBED Cn1c(NCCn2cc(Br)ccc2=O)c(C#N)c(=O)n(C)c1=O 590706980 VHLDEGSQNIXHNI-UHFFFAOYSA-N 380.202 -0.008 30 20 GBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 592907530 FBGVCESWCHRZCB-HUUCEWRRSA-N 380.422 -0.145 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nnnn1C1CC1 610809833 RGGVMQCJSOIBNV-JTQLQIEISA-N 375.414 -0.137 30 20 GBED CN(CC(=O)N1CCOCC1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 726278134 CPCNALDASMURAT-UHFFFAOYSA-N 394.453 -0.568 30 20 GBED CCC1(CC)NC(=O)N(CC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1=O 732907599 BGWDWAOJMNCEMZ-NSHDSACASA-N 398.441 -0.937 30 20 GBED N#C[C@@H]1COCCN1CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O 737684253 OFSYZSJXWFTKQB-CQSZACIVSA-N 382.384 -0.187 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC1 747994020 VTCBMXHMMQHXDD-UHFFFAOYSA-N 381.396 -0.411 30 20 GBED C#CCNC(=O)C1CCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 749939168 NDHLMOMXYKFTSC-HNNXBMFYSA-N 376.438 -0.296 30 20 GBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1n[nH]c(C)c1C(=O)OC 751029334 WLTYCJKGRSMBHW-JTQLQIEISA-N 377.444 -0.131 30 20 GBED COc1cccc([C@@H](C#N)NC(=O)CN2CCN(S(C)(=O)=O)CC2)c1OC 759785131 WSLXEWQOQKAWGU-CQSZACIVSA-N 396.469 -0.038 30 20 GBED C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 804947318 CUOGDWYXZBPSTE-GJZGRUSLSA-N 393.531 -0.299 30 20 GBED C#CCN(CC)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[nH]n3)cc2)n1 819697807 LEGJGIFEXFNQOT-UHFFFAOYSA-N 379.384 -0.073 30 20 GBED CCN(OC)C(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 848941576 UTJDLFYYMROZGZ-UHFFFAOYSA-N 390.443 -0.823 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](O)C[C@H]1C 848956150 KWHMDLJYTONZCR-ZIAGYGMSSA-N 397.478 -0.022 30 20 GBED C#CC[C@@H](CO)NC(=O)CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 857262928 LRENGQFKDKYWMV-HNNXBMFYSA-N 395.481 -0.053 30 20 GBED CNC(=O)CCN(C)C(=O)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 867439007 WEYRQPOBGXIESJ-UHFFFAOYSA-N 375.404 -0.060 30 20 GBED N#CCCNC(=O)COC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 915007077 XNGXODHMTUNWNR-UHFFFAOYSA-N 381.410 -0.106 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)C[C@@H]1O 964503128 GANVZPXVAPTQTR-YVSFHVDLSA-N 393.484 -0.086 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 1024083784 NHAYGEXRTMQVGM-SYQHCUMBSA-N 392.460 -0.289 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2OCCO[C@H]2C)C1 1043660765 VMWQAEPCPOUPCZ-VGWMRTNUSA-N 382.457 -0.149 30 20 GBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)nc1 1044767970 RENJKPXDMQXNMM-WVWOOGAGSA-N 386.330 -0.035 30 20 GBED Cn1c(=O)ccn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(C#N)n2)c1=O 1055234570 CWWHSFYBJPMPOU-AGIUHOORSA-N 381.396 -0.865 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(C)(C)C(N)=O 1110691898 BYFHTFDSILGRLD-LOWDOPEQSA-N 379.461 -0.380 30 20 GBED C=CCN(CCc1ccco1)C(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 1118385731 IRNZUKJXALMYCP-UHFFFAOYSA-N 398.485 -0.213 30 20 GBED CNC(=O)CCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1327076675 CCMQWSFPHGLWGS-HNNXBMFYSA-N 385.424 -0.582 30 20 GBED C=CCN1CC(N2C[C@@H](NC(=O)C3CCN(Cc4cnn[nH]4)CC3)CC2=O)C1 1575100740 WBFNPJDQDHEFMO-HNNXBMFYSA-N 387.488 -0.396 30 20 GBED CC(C)C#CC(=O)N1C[C@H]2C[C@@H](NC(=O)CC(=O)NCc3cnn[nH]3)C[C@H]1C2 1575318213 IECZLWVBAQGUGL-SQWLQELKSA-N 386.456 -0.034 30 20 GBED O=C(C#CC1CC1)N1CC[C@@H](N2C(=O)O[C@H]3CN(CCc4cnn[nH]4)C[C@H]32)C1 1577743544 ZOCZPUZLWDPKOV-ZACQAIPSSA-N 384.440 -0.134 30 20 GBED N#Cc1nccc(N2CCOC[C@@H]2CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 1581884815 CHBNNHCIHPONEF-JTQLQIEISA-N 380.372 -0.508 30 20 GBED C=CCC1(C(=O)N2CC(n3cc(-c4nn[nH]n4)c(O)nc3=O)C2)CCOCC1 1588549751 WYBARKQJDRMBMM-UHFFFAOYSA-N 387.400 -0.115 30 20 GBED C[C@@]1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCN(CC(=O)NCC#N)C1 1590131376 HAIVINBGALSROQ-KRWDZBQOSA-N 385.432 -0.334 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 1592665246 NBFCCLZUOJQKBA-OLZOCXBDSA-N 380.368 -0.688 30 20 GBED COC(=O)[C@@H]1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C(=O)O)C1 1606404069 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387.506 -0.332 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2nccn2C)C(C)(C)CO)C1=O 616868349 MCOTXRNRVVLZJE-GFCCVEGCSA-N 377.401 -0.427 30 20 GBED C=CCNC(=O)CNC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 665943798 YAIFMVLWDBIFGY-CYBMUJFWSA-N 375.495 -0.457 30 20 GBED COC(=O)[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 728538839 QKJFRUGWPJDPGA-LBPRGKRZSA-N 381.410 -0.484 30 20 GBED CCN1CCN(CCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 733162877 VSTMIXWFUYKGSW-UHFFFAOYSA-N 393.513 -0.131 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(N)(=O)=O)c(C)c2)CC1 736557970 MJOMYRPXFAIRKY-UHFFFAOYSA-N 392.481 -0.460 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2c(Br)nnn2C)CC1 810352096 HXHFAOSRCMZOPL-UHFFFAOYSA-N 383.250 -0.525 30 20 GBED N#Cc1cccc(CNC(=O)COC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)c1 815263073 JMVOWWZZQQONMC-AWEZNQCLSA-N 380.426 -0.367 30 20 GBED C[C@H]1CN(CCC(=O)O)CCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 833626306 PPPWIYJDOGFOOW-SUQMRRJOSA-N 379.417 -0.297 30 20 GBED CON=CC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 855581953 UHVMOLIFEJAIMV-UHFFFAOYSA-N 384.458 -0.105 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc3c2OCC3)CC1 872514853 AZSOEMJFVDEUMV-UHFFFAOYSA-N 385.467 -0.605 30 20 GBED C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 895776461 FBQNDXCODPJXQS-INIZCTEOSA-N 396.490 -0.057 30 20 GBED C=CCN(CCOC)C(=O)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 898482588 KUJKSQHVYPYIMI-KRWDZBQOSA-N 382.505 -0.440 30 20 GBED CN(C)C(=O)CNC(=S)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 918716226 CHWNGKUGAXTYHM-UHFFFAOYSA-N 395.510 -0.173 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 955366377 QHDFKYDXDZSMDX-FXUDXRNXSA-N 379.457 -0.118 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2cc(CC)nn2C)C1 969619874 XBBHKYDXZZNRHL-NCOADZHNSA-N 376.457 -0.196 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 1047048452 WGCFAJAGEVVOBU-FPCVCCKLSA-N 379.457 -0.286 30 20 GBED CN1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(C#N)n2)S1(=O)=O 1055223838 XCFUVWJRJSGVFL-RFGFWPKPSA-N 376.442 -0.392 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@H]1O 1077812868 SGHDGUDDOLEXPT-BORJPKMPSA-N 379.457 -0.332 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1116984044 XYDHEAYWUHTOQS-ZIAGYGMSSA-N 389.518 -0.293 30 20 GBED CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCc2ccc(OCC#N)cc2)C1 1117295908 JIEMBCNIYCSJRK-HNNXBMFYSA-N 394.453 -0.255 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 1118214107 JAVCLGYPNUXDFE-QGZVFWFLSA-N 392.437 -0.702 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCc1cccc(OCC#N)c1 1118618797 LYQRGVYUBDOFHL-UONOGXRCSA-N 381.410 -0.867 30 20 GBED O=C(NC1CC1)N[C@@H]1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1320303473 TVYXDYFCGURRQX-XROPSADXSA-N 376.417 -0.242 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1CCNC(=O)[C@H]1c1c(C)nc2ccccn12 1324239095 PICROYFEXKLNBO-XJKSGUPXSA-N 385.424 -0.041 30 20 GBED CN1C(=O)CC[C@H](NC(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1=O 1325952118 FTASOEXWBLGEGT-LSDHHAIUSA-N 384.392 -0.278 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NC[C@H]1CC1(Cl)Cl 1340244238 MPQXHUWIUBVRPX-OZEWEUHLSA-N 375.212 -0.061 30 20 GBED COCCn1nc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)ccc1=O 1340244304 CFXSRQSWYJHAMO-CYBMUJFWSA-N 383.412 -0.098 30 20 GBED Cc1noc(CN(C)C(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n1 1346516266 KFFNLSHBOALIPM-UHFFFAOYSA-N 386.416 -0.401 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CCOCc3cnn[nH]3)C[C@H]2O)cn1 1575032961 SMHIBDWNCNOGRU-HZPDHXFCSA-N 384.396 -0.911 30 20 GBED C=CC(C)(C)CC(=O)N1CCOC2(CN(CC(=O)NCc3cnn[nH]3)C2)C1 1575066156 PLUMIWDVEDLXGE-UHFFFAOYSA-N 376.461 -0.064 30 20 GBED C[C@@H](OCc1cnn[nH]1)C(=O)NC[C@]1(C)CN(c2cnc(C#N)cn2)CCO1 1575855940 XLPVQDCHWPLYDK-SJKOYZFVSA-N 386.416 -0.217 30 20 GBED COCCN(CCNC(=O)[C@H](C)C#N)C(=O)[C@@H]1CCCN1Cc1cnn[nH]1 1576999645 PSOWRCVBNDCZRM-HIFRSBDPSA-N 377.449 -0.480 30 20 GBED C#CCNC(=O)[C@@H](C)N(C)C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588353265 MJGKVDUJISUNPV-OLZOCXBDSA-N 384.444 -0.131 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CC(=O)O)n2)CC1 1588485154 DYLZQIXSZNBKOU-UHFFFAOYSA-N 381.414 -0.674 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)C1=O 1588654383 HAQFSQPVMDDLAC-ZDUSSCGKSA-N 395.379 -0.573 30 20 GBED C=CCNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588658426 JIRRALAKGQPWGM-SNVBAGLBSA-N 389.420 -0.743 30 20 GBED C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)nn1 1588712654 AYZCCPLRKXNGOV-LLVKDONJSA-N 382.388 -0.383 30 20 GBED N#Cc1nc(N)n(CC(=O)NC[C@H]2COc3ccccc3O2)c1-c1nn[nH]n1 1592705736 AKMSLAFUOKVEQC-VIFPVBQESA-N 381.356 -0.527 30 20 GBED C#CCOCCC(=O)NC[C@@H]1COCCN1c1snc(C)c1-c1nn[nH]n1 1602729455 SCTWEPDLXFGGQT-GFCCVEGCSA-N 391.457 -0.007 30 20 GBED CS(=O)(=O)Cc1ccc(F)cc1CNS(=O)(=O)N1CCO[C@H](C#N)C1 1660634662 HJKQUJIXCVTMNG-CQSZACIVSA-N 391.446 -0.071 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779384572 XVPROENGVGSWFM-SJCJKPOMSA-N 391.384 -0.200 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c1 1780337996 NTPXKZJWIZYZIH-KUHUBIRLSA-N 385.424 -0.144 30 20 GBED N[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1cccnc1 1783562862 RRXFHPXVONZDCS-KXBFYZLASA-N 386.408 -0.611 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc3O)C[C@@H]21 1784485986 SUXZYBZJLDWAMW-VRKREXBASA-N 388.424 -0.186 30 20 GBED CC(C)(C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 1792703851 UJOKKYIQGRNIAA-QDMKHBRRSA-N 396.513 -0.095 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=S)NC 1797756236 IHEJTRNECCTIOD-HGTKMLMNSA-N 398.529 -0.349 30 20 GBED CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)N(CC)CC 1800773406 BDFBWGIJKGGWAG-BASYENTBSA-N 379.457 -0.216 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)C1 1829944941 QJGKGRYVRJOCKS-YWZLYKJASA-N 391.468 -0.065 30 20 GBED C[C@@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)C(F)(F)F 1832154964 LSHHNHRCRASCER-ZIAGYGMSSA-N 379.335 -0.330 30 20 GBED CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cn1 1833429898 INVTVWVTZUZBQF-GOSISDBHSA-N 389.412 -0.141 30 20 GBED Cn1ncnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1833848097 WKBGQUFCBDNOLG-SFHVURJKSA-N 388.428 -0.421 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1834766947 GVVLTWDMZNBMFC-YLJYHZDGSA-N 387.436 -0.040 30 20 GBED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)nn1 1835359276 BEEFXFUWSGYRLB-GOSISDBHSA-N 389.412 -0.141 30 20 GBED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(O)O)C3)C2)cc1 1839361248 YNINQCLYSWNVPR-IBGZPJMESA-N 389.408 -0.867 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccc(OC)cc3)C2)C1 1839805116 CMJBLUINZOCRSK-ICSRJNTNSA-N 388.420 -0.182 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CC3CCOCC3)C2)C1 1840041398 KWMCGHLTVUSODP-LJQANCHMSA-N 394.424 -0.653 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1840175167 GIJLRXHIWUXUJJ-SFHVURJKSA-N 376.413 -0.724 30 20 GBED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 15545116 GRXAUESZTKGBHL-UHFFFAOYSA-N 391.453 -0.124 30 20 GBED C=CCNc1ncc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)s1 268666970 VZEDPHKVEKXLOO-UHFFFAOYSA-N 393.469 -0.116 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(C(N)=O)CCOCC1 268765360 NMKZAOANMIGNNO-GFCCVEGCSA-N 394.453 -0.377 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@H]1CCc2nc(C)nn2C1)c1cc[nH]n1 277884933 BVEFETDSZWLXEQ-WKOREQJTSA-N 375.389 -0.275 30 20 GBED CC[C@@]1(C)NC(=O)N(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1=O 278755239 MJNKBYVUNOLHBG-QLJPJBMISA-N 393.425 -0.023 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(N3CCOCC3)nc2)C1=O 299501847 LZHPOFNKUCTVRA-UHFFFAOYSA-N 387.396 -0.489 30 20 GBED CC(=O)N1CCC[C@H](C/N=C(/O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 330025251 KILCEZALZLDQKU-QGZVFWFLSA-N 395.504 -0.365 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)CC[S@@](=O)C1 349456257 IMWRXZQBHOVNFJ-AMXDTQDGSA-N 397.544 -0.618 30 20 GBED N#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 349487909 DHYBUIDXJBHUFV-AEGPPILISA-N 391.515 -0.273 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)NCC1(C#N)CC1 349577969 RUYJJTOOZJXOTC-GFCCVEGCSA-N 392.528 -0.130 30 20 GBED COc1cc(CNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)ccc1C#N 427228612 XTGAXEBBRJPWSX-UHFFFAOYSA-N 391.409 -0.411 30 20 GBED C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CCS(=O)(=O)C1 433634034 NUYCMSNJFPUWNQ-NSHDSACASA-N 381.458 0.341 30 20 GBED CNC(=O)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 482854387 HOHHWWDHSNRIGW-CYBMUJFWSA-N 393.469 -0.885 30 20 GBED CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](CN)C1 569323435 VBKVMCBUSZVYHN-SJORKVTESA-N 398.467 -0.729 30 20 GBED N#CCNC(=O)CNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 571426751 SMKXKNACRVNPEJ-ZDUSSCGKSA-N 380.426 -0.487 30 20 GBED CN(CCOCc1ccc(C#N)cc1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O 571912040 CLRRSLMBJGNSHS-UHFFFAOYSA-N 392.437 -0.207 30 20 GBED C[C@H]1CC(=O)NCCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588870543 MEYRWXDTTHBLMA-XJKSGUPXSA-N 397.435 -0.488 30 20 GBED COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCCCCS(N)(=O)=O 593600040 HCGLJFVUKXAIHG-UHFFFAOYSA-N 375.428 -0.308 30 20 GBED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 603876552 CQMJVIHJCZFYOX-UHFFFAOYSA-N 393.469 -0.197 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)CCOC)cc1 646952035 WRZGOFWJELNYHQ-AWEZNQCLSA-N 382.438 -0.064 30 20 GBED C=CCn1cc(C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)nn1 648730227 MRUHOIUOOYGJRO-ZIAGYGMSSA-N 398.489 -0.424 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)CCN1C1CC1 739066883 UGCFHDJPWYZBCZ-HNNXBMFYSA-N 399.407 -0.362 30 20 GBED CCOC(=O)C(=O)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 746278316 ZTNPIWLJNONROV-PFONDFGASA-N 378.385 -0.863 30 20 GBED C#CCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 799200692 HPEOYNUAUDWXSK-UHFFFAOYSA-N 390.465 -0.013 30 20 GBED C[C@H](CC(=O)N[C@@H]1CCC(=O)N(C)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 819723763 NHPKWWKRZFLXTK-ZYHUDNBSSA-N 392.437 -0.233 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H](C#N)C1CC1 820438103 ISRPWORAQKNYOG-RNCFNFMXSA-N 375.414 -0.048 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)CC1 831556452 NPWNXJUMFMXVHE-IUODEOHRSA-N 386.499 -0.948 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(C)nn2C)c1=O 841673878 IXPHJFDVABUADS-UHFFFAOYSA-N 383.477 -0.140 30 20 GBED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1CC[C@@H](O)C1 863327968 CUJYQZDRYLLMON-CYBMUJFWSA-N 380.470 -0.312 30 20 GBED C=CCn1cc(C(=O)NC[C@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CCO2)nn1 944599746 MXKRSXOWAOZCON-CTASWTNQSA-N 375.429 -0.011 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1011314221 KSFGXWHGBRGIKS-XLAORIBOSA-N 375.469 -0.194 30 20 GBED N#Cc1nccnc1N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1CC2(C1)NC(=O)NC2=O 1055356509 SBRZMGHYQXAYPN-GSIKDVBRSA-N 381.396 -0.438 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1058354723 XDWCBXHCUYGLOL-ZOFXXKQRSA-N 382.457 -0.434 30 20 GBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CN(C)C1=O 1111371188 XZVHQSQETLBVLN-SYQHCUMBSA-N 377.445 -0.707 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1116645175 LQHOBEQJDSNOOL-CYBMUJFWSA-N 397.453 -0.037 30 20 GBED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 1117137075 UHIWBARXSOXIDF-LBPRGKRZSA-N 395.503 -0.235 30 20 GBED C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1117854277 MOLXFMJLBTUOEK-IXDOHACOSA-N 377.489 -0.246 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)nn1 1118116476 XULUHMMKAQTMHO-OAHLLOKOSA-N 376.461 -0.349 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@@H]1O 1220513139 SUARXMMVQGMPBD-FZKCQIBNSA-N 389.518 -0.590 30 20 GBED Cn1cc(C#N)c(=O)n(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1=O 1324557214 BJRMKUAHZKIHKB-UHFFFAOYSA-N 377.401 -0.502 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)nn1 1326251308 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388.472 -0.138 30 20 GBED C=CCC1(O)CN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 1573329363 ILPOEKDFAVBVDV-UHFFFAOYSA-N 378.414 -0.706 30 20 GBED CN(C[C@H](O)CN(C)c1cncc(C#N)n1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1579030298 QDHMFNPFPNDIHK-GFCCVEGCSA-N 382.388 -0.574 30 20 GBED CN(C[C@H](O)CN(C)c1nccnc1C#N)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1579030839 DXLVTPYWBWAXIF-SNVBAGLBSA-N 382.388 -0.574 30 20 GBED O=C(NC[C@@H]1CN(C(=O)C#CC2CC2)CCCO1)c1ccc(-c2nn[nH]n2)[nH]1 1593043945 BGGJXKPLFSAFDU-CYBMUJFWSA-N 383.412 -0.045 30 20 GBED N#Cc1cn(CC(=O)N2CCC(CCN3CCOCC3)CC2)c(=O)nc1O 1627700034 VUQPNQKXONLTAO-UHFFFAOYSA-N 375.429 -0.219 30 20 GBED N#CCC1(CS(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 1661175683 SUUODONKYILAAP-QWHCGFSZSA-N 377.488 -0.903 30 20 GBED C#CCNC(=O)CC(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@@H]2C1 1757483228 SSDSIVDJUGMMIL-QXSJWSMHSA-N 388.468 -0.666 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1778980148 RCSYAKDZUWUKHB-ZTENYAIWSA-N 381.473 -0.888 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1779311528 WFHFMRCIXDORJX-IDHHARJASA-N 395.456 -0.994 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)c1 1780333270 WIQIPCVPJAUKQO-GOSISDBHSA-N 385.428 -0.830 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C)C[C@@H]21 1784486129 YYCQVHGIRBJWSI-WOYTXXSLSA-N 391.468 -0.375 30 20 GBED CN1N=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC#N)C[C@@H]32)CCC1=O 1784975932 OHRKFMIJFRBYOF-YDHLFZDLSA-N 375.429 -0.122 30 20 GBED Cc1cn(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c(=O)nc1O 1785354388 KIDMXHCVDKKZFZ-PXAZEXFGSA-N 396.469 -0.594 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]2C1 1786644220 JSZWZFGFMQXJDF-QPSCCSFWSA-N 386.470 -0.951 30 20 GBED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1)N1CCN(C)CC1 1786705509 JCUQPYGRPKANEW-OWSLCNJRSA-N 391.516 -0.094 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC)C(=O)O)C2 1793355603 LWRGSMRCJBVNCY-JAAXMTQOSA-N 383.445 -0.770 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796136446 CAODABDBUJLBNI-MBMVNNNZSA-N 389.408 -0.266 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN(C)C1 1799113554 FPAHKNSXPPDSEZ-RZFLPCETSA-N 377.485 -0.044 30 20 GBED C#CC(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807025591 IZEURSSZLIVGBI-BBRMVZONSA-N 380.341 -0.555 30 20 GBED COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064392 KWTDAYCFJAZNIU-KRWDZBQOSA-N 382.417 -0.651 30 20 GBED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)on1 1832572659 FGFVROZSTJSANO-GOSISDBHSA-N 391.380 -0.930 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(CO)on4)C3)C2)CC1 1835345269 HQFZCSYPMBHTQR-SFHVURJKSA-N 390.396 -0.459 30 20 GBED NCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835549707 VOTOSDKUGCEHQD-IBGZPJMESA-N 379.457 -0.900 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1837690518 SPBAPWRBTQUSAI-AUUYWEPGSA-N 392.456 -0.317 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cncn3)C2)C1 1840166239 ZEOPQCIYPQHSMU-HEHGZKQESA-N 383.474 -0.386 30 20 GBED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1840292556 XNMZMJBUOHJZJI-IBGZPJMESA-N 389.456 -0.072 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)Cn2ccccc2=O)C1 1843034672 GJAAYYZZEPDPGT-FPLPWBNLSA-N 384.436 -0.090 30 20 GBED N#CCN1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 265742463 GPCNGZFMJRWULF-UHFFFAOYSA-N 396.429 -0.288 30 20 GBED C=C[C@@H](CO)NC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 290129306 SYTBHZITWLGSKP-XJKSGUPXSA-N 389.408 -0.698 30 20 GBED CNS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 292493548 RUIYDSTYAHRMKI-UHFFFAOYSA-N 376.435 -0.096 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCCCc1nnc(S)n1C)c1cc[nH]n1 294332656 XQEFHSLVCQDBQX-FYJGNVAPSA-N 395.445 -0.140 30 20 GBED C[C@@H]1[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)CCN1C 349466909 RLYVYCIFSXUQDE-MGPQQGTHSA-N 380.536 -0.096 30 20 GBED C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)N1CCO 412379763 PCWBGCAHOYNNNF-OKILXGFUSA-N 380.470 -0.250 30 20 GBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccccc1I 509003001 VRNGDGWZQPVBFN-UHFFFAOYSA-N 386.149 -0.014 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 514873927 UPQUFOLNIQXOCB-RWMBFGLXSA-N 379.504 -0.369 30 20 GBED CN(CC(=O)NCCNc1ccn(C)n1)S(=O)(=O)c1ccc(C#N)cc1 552305561 MPFWBIOHKOFZDZ-UHFFFAOYSA-N 376.442 0.141 30 20 GBED COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 553102751 FAQNMGQETBYXOU-ZDUSSCGKSA-N 391.428 0.221 30 20 GBED N#CCNC(=O)CNC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 554354931 QLIMRVKXYKHHMH-UHFFFAOYSA-N 381.414 -0.531 30 20 GBED CN1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)[C@H](CN)C1 562961674 MTPCLRKLBGEAFR-OAHLLOKOSA-N 388.447 -0.553 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCc2ncn(C)n2)cc1 568252395 QPJDILKOQDNHCF-NSHDSACASA-N 398.470 -0.126 30 20 GBED CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)NC1CCN(CC#N)CC1 588126774 RYFFJXXCQLBIGH-HNNXBMFYSA-N 399.517 -0.589 30 20 GBED COCCCNC(=O)[C@H](C)N1CCN(C(=O)NC2CCN(CC#N)CC2)CC1 609335612 SCMKRHCNWULMDW-INIZCTEOSA-N 394.520 -0.157 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 609457623 FPXYWPBDQBSKQE-PMPSAXMXSA-N 396.513 -0.286 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCc2c(C)nc3ncnn3c2C)CC1 728534530 LXROWNYLCRBLAE-UHFFFAOYSA-N 383.456 -0.433 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)COc2ccccc2-c2nn[nH]n2)CC1 735381726 QCLUKLQBPBOLOR-UHFFFAOYSA-N 397.439 -0.471 30 20 GBED C#CCNC(=O)C1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 747850084 QUIJZRNPASRHFO-UHFFFAOYSA-N 385.467 -0.516 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)CS[C@@H]1CCS(=O)(=O)C1 749370671 MXYNYZUGHOQMSJ-CQSZACIVSA-N 375.516 -0.019 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H]3CN(C)CC[C@@H]32)c1=O 768503914 UDRPORCBXRNWAR-CVEARBPZSA-N 375.473 -0.083 30 20 GBED C#CCC[C@H](O)CNC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 799082345 BOTNUKHRJVINMM-ZDUSSCGKSA-N 380.422 -0.018 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)nc1 804058798 WZMGZPUXLCXZPY-IRXDYDNUSA-N 398.467 -0.419 30 20 GBED N#Cc1ncn(CCNC(=O)[C@H](CC(N)=O)NC(=O)OCc2ccccc2)n1 804619732 AYYQNCLQPKQMRC-ZDUSSCGKSA-N 385.384 -0.564 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)[C@@H]1CCCO1 809312841 QAQBSARFZQNVAJ-SJORKVTESA-N 390.484 -0.704 30 20 GBED C#CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 837942235 CMXHYMLFRSBJOZ-CYBMUJFWSA-N 383.382 -0.104 30 20 GBED CC(C)OC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 848943159 NAEDGNWHLQKESE-UHFFFAOYSA-N 375.428 -0.282 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(CC(N)=O)CC2)c1 880200698 OUJSFYYXKWJXLB-UHFFFAOYSA-N 378.454 -0.722 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCOCC1 960265416 FVUAAJDYVKKOME-VSZNYVQBSA-N 393.484 -0.262 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ncccc2OC)C[C@@H]1O 970711386 DZBPSXKQSRUWCR-OJLVUWQFSA-N 375.425 -0.088 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1n1ccnn1 990962698 FTEXFRBHFIYSBZ-KBXIAJHMSA-N 377.445 -0.102 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3CC)C[C@H]2O)nn1 1023921387 BZYYAVPMSCEJHW-XOUADPBQSA-N 377.445 -0.029 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1O 1023941975 JUYDVCSPBXWJHI-HWMZRRJGSA-N 378.429 -0.532 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)[C@H]1CCCO1 1117580326 CXPZMJAWECTUJB-IAGOWNOFSA-N 384.436 -0.269 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N(C)C[C@H]1COCCO1 1118457407 MCXRUUYSANNYIW-KGLIPLIRSA-N 388.428 -0.741 30 20 GBED C=CCCSCCNC(=O)C(=O)N1CCCN(C(=O)CNC(C)=O)CC1 1119087572 ISPYFGBCWHAMFW-UHFFFAOYSA-N 384.502 -0.391 30 20 GBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1207699892 CFKHGYZXQXXGFH-WFFHOREQSA-N 378.351 -0.591 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2c(C)nn(C)c2C)C1=O 1318163651 PHUVFZRERNNCPN-UHFFFAOYSA-N 377.357 -0.505 30 20 GBED N#Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 1323969634 XZKGAUISJCNMIT-UHFFFAOYSA-N 397.435 -0.532 30 20 GBED N#CC1CCC(CNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 1324854168 RKFCLRMBIIFTNX-UHFFFAOYSA-N 375.473 -0.145 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](n2cncn2)C1 1327251564 RQOOGQCFALXTSY-NWDGAFQWSA-N 376.464 -0.924 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1)[C@@H]1CCCO1 1331366418 BLUKKIHIVICZCI-ZIBATOQPSA-N 375.347 -0.047 30 20 GBED Cc1cn(C)c(CC(=O)N2CCO[C@@H](C#N)C2)c1C(=O)N1CCO[C@H](C#N)C1 1339392536 IOSUGZGQRIHIRR-LSDHHAIUSA-N 385.424 -0.008 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@H]1CN(c2cncc(-c3nn[nH]n3)n2)CCCO1 1573286549 DSGZAEWTWCOBTJ-STQMWFEESA-N 386.416 -0.594 30 20 GBED C#CCNC(=O)[C@H](C)N1CCCO[C@@H](CNC(=O)CCOCc2cnn[nH]2)C1 1574986094 RNZLOUVMFBSTPP-HOCLYGCPSA-N 392.460 -0.944 30 20 GBED C#CCOCCC(=O)N(Cc1cnn[nH]1)C1CCN([C@@H](CC)C(N)=O)CC1 1575013518 QNDSLXXGYGEWTH-INIZCTEOSA-N 376.461 -0.099 30 20 GBED C#Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCCNCc3cnn[nH]3)C2)nc1 1575022973 WWXYUVBZHLYVDV-HNNXBMFYSA-N 381.440 -0.061 30 20 GBED CC(C)C#CC(=O)N(C)C[C@H](O)CNC(=O)C1CCN(Cc2cnn[nH]2)CC1 1575318913 SSLQRBOSOWAORI-QGZVFWFLSA-N 390.488 -0.388 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@H](CN=c3cc[nH]cc3-c3nn[nH]n3)C2)c1 1581862109 MQAMRLYUZAEFIK-GFCCVEGCSA-N 379.384 -0.164 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588405125 LROXFDWHNWCBBS-CYBMUJFWSA-N 388.432 -0.146 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nn1 1588713889 YAOYGEKZUGDSRI-PHIMTYICSA-N 382.388 -0.337 30 20 GBED CN(CCC#N)S(=O)(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 1591062305 ULCJHCYNVGFMLX-UHFFFAOYSA-N 377.434 -0.526 30 20 GBED C[C@H](CC(=O)N1C[C@H](O)C[C@@H](C(=O)O)C1)/N=C1/NS(=O)(=O)c2ccccc21 1592228125 YCYIRVKWWMVKAN-IJLUTSLNSA-N 395.437 -0.202 30 20 GBED C#CCOCCC(=O)NC[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2F)CCO1 1602729362 PPGXIHYURDYTCC-CYBMUJFWSA-N 389.391 -0.238 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1 1609021424 XNXBOMYKYPOSHV-DGCLKSJQSA-N 382.380 -0.099 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1781391260 SCCLPEHNHYGYBL-IYOUNJFTSA-N 380.445 -0.104 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781424285 KHFZERQVXCJBSG-SFHVURJKSA-N 391.428 -0.383 30 20 GBED NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1783147225 AEAJBFQLANMDRS-HLNVMSFQSA-N 396.444 -0.389 30 20 GBED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)nc3O)[C@H]2C1 1787430723 KNDIQNVVBZPEDH-DRZSPHRISA-N 375.385 -0.215 30 20 GBED CN1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)CC1 1788191483 IWBSRCMNEQFSKH-ULQDDVLXSA-N 389.500 -0.483 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)CNC2=O)c1 1794011810 VWOWDIQXTWYWIR-CLLJXQQHSA-N 384.396 -0.310 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)Cc2cccnc2)CC1 1796397150 KRROQEJSPDROEA-YVSFHVDLSA-N 383.452 -0.155 30 20 GBED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2 1797837394 SSFHWQVAZWYDHR-VJDUQAHASA-N 386.412 -0.420 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CC(=O)NC1=O)C2 1800218748 GOHYZLSVHIQJTJ-YIYPIFLZSA-N 393.444 -0.023 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O 1800389964 OQAQWTFELVQWRB-QMHWVQJVSA-N 398.481 -0.809 30 20 GBED NC(=O)[C@@H](N)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1817360543 UFVZPYBWPKBSCB-CMPLNLGQSA-N 390.400 -0.917 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831274992 PZNMEXGNFYSULL-IFXJQAMLSA-N 397.472 -0.848 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc[nH]3)CCO2)C1 1834097918 UPVGLKUALDSZNF-RDTXWAMCSA-N 376.413 -0.482 30 20 GBED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)nn1 1834763670 QNTXTHUOXSLKCJ-KRWDZBQOSA-N 375.385 -0.531 30 20 GBED Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1 1836196321 OFNGAIBAWHISGZ-LJQANCHMSA-N 387.440 -0.048 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)C=C)CCO2 1837704627 YNPABARUUIVVPE-DNVCBOLYSA-N 377.441 -0.453 30 20 GBED C/N=C(/NCc1c(C)nn(C)c1C)N1CCN(CC(=O)N2CCOCC2)CC1 119705630 ZNJMGGREDUOXCO-UHFFFAOYSA-N 391.520 -0.411 30 20 GBED Cc1nnc(CN/C(=N/C2CC2)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C 261969748 MLYPLDCXQBDAJP-MRXNPFEDSA-N 388.520 -0.030 30 20 GBED C/N=C(/NCCS(=O)(=O)N1CCSCC1)NC1CCN(C(C)=O)CC1 262734019 FAXDZAKTCAFOLA-UHFFFAOYSA-N 391.563 -0.459 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3nnc(S)n3C)CC2)C1=O 264539398 LNGKYZIZWMFAHX-UHFFFAOYSA-N 392.441 -0.213 30 20 GBED C/N=C(/NCCN1CCOCC1)NCC(=O)N1CCN(c2ccccc2)CC1 264965112 BMUBABJJNFWWOB-UHFFFAOYSA-N 388.516 -0.168 30 20 GBED N#Cc1cccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 265619100 QJGXLIUKRHAWAA-CABCVRRESA-N 385.467 -0.666 30 20 GBED COCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC 291587022 QOODSJFGPRJHIP-RISCZKNCSA-N 383.426 -0.081 30 20 GBED CCS(=O)(=O)N1CCN(/C(O)=N/C[C@H](C)CN2CCN(C)CC2)CC1 329821809 YVDCGAVWWMOYQN-HNNXBMFYSA-N 375.539 -0.249 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1 370933681 DDLYVQYRLRJWAC-AWEZNQCLSA-N 385.467 -0.509 30 20 GBED COC(=O)CNC(=O)[C@@H]1CCCN1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 419366944 ZVDCGWICAUMFCK-HOTGVXAUSA-N 393.488 -0.568 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@@H]34)CC2)c1 502301052 ZMOYRHNDNKLVOZ-HOTGVXAUSA-N 396.451 -0.129 30 20 GBED CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NCC#N)c1 511057216 HRTRHPNSNBADIT-UHFFFAOYSA-N 388.471 -0.365 30 20 GBED N#CCN1CCC(NC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 586776169 YIUCKXKXRGVLBU-UHFFFAOYSA-N 376.442 -0.055 30 20 GBED N#Cc1ncn(CCN=c2[nH]cc(C3CC3)c(=NCCn3cnc(C#N)n3)[nH]2)n1 588075596 OVJGOXUYANQNSX-UHFFFAOYSA-N 390.415 -0.652 30 20 GBED CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588124675 GGFKGQOAALQLME-OAHLLOKOSA-N 392.504 -0.851 30 20 GBED COc1nccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC3CC3)c2=O)n1 596184483 ANJNODUZWBXDQM-UHFFFAOYSA-N 397.460 -0.100 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 610425174 HTDAEQSDQFXZGM-GFCCVEGCSA-N 397.457 -0.651 30 20 GBED C[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@@H]1CN(C)CCO1 610906244 COKGEPHMBNOVQN-CJNGLKHVSA-N 397.439 -0.028 30 20 GBED N#Cc1cccc(S(=O)(=O)NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 744014129 NFRHNLINZNXQBQ-QHSBEEBCSA-N 389.389 -0.474 30 20 GBED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C)cn2)c1=O 758077622 XNPPAAQKKOFVIO-CQSZACIVSA-N 396.472 -0.099 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c1 808158504 YREHSNKZPGYBRW-CVEARBPZSA-N 377.466 -0.121 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)c2ccc(-c3nn[nH]n3)cc2)c1=O 823937067 GVGKUSAEKZRKOM-UHFFFAOYSA-N 396.411 -0.182 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCCC12OCCO2 848964331 ORYFZDVRGGFCNM-LBPRGKRZSA-N 381.476 -0.575 30 20 GBED C#CCN1CCC[C@H]1C(=O)NCCOCCN(C)C(=O)[C@@H]1CCCN1CC#C 856015481 ICJKHCJYPIJVQO-OALUTQOASA-N 388.512 -0.227 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)nc2C)CC1 872515488 OGCKLDXDJWJLHP-UHFFFAOYSA-N 392.890 -0.183 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@H](OC)C2)nn1 942534248 GPICITDVCMIGIE-RRCSTGOVSA-N 392.460 -0.861 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@@H]1O 964610654 LOAZKOWWMRHDHB-IRWJRLHMSA-N 375.425 -0.332 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2nc(C)n(C)c2=O)[C@@H]1C 990135688 ZUFGAUHUYKTRCR-RZFFKMDDSA-N 377.445 -0.413 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnc3[nH]nnc23)C[C@H]1O 1023939674 LOEOTBWRRZGMTO-JLNYLFASSA-N 386.412 -0.364 30 20 GBED C=CCCOCC(=O)NC[C@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CCO1 1065438847 ARMPBPQIYDENPU-NBOOPKSLSA-N 382.457 -0.026 30 20 GBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 1069958756 LPPOZQWSWORVGV-RQJABVFESA-N 387.362 -0.011 30 20 GBED CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1090951415 IFDTVKZUAUWIEJ-APIJFGDWSA-N 388.428 -0.519 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1COCCN1C 1110450914 CHRCRHKALULJPO-APIJFGDWSA-N 379.461 -0.950 30 20 GBED COCCNS(=O)(=O)c1ccc(CNC(=O)Cn2cnc(C#N)n2)cc1 1319339919 CGQWLFZYBIEGLV-UHFFFAOYSA-N 378.414 -0.609 30 20 GBED CCCS(=O)(=O)NC1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 1322622799 OXLIXIGQQAKPJB-UHFFFAOYSA-N 399.517 -0.589 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)n1 1327342853 CLNADEGPQFYPJC-OAHLLOKOSA-N 395.485 -0.595 30 20 GBED CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC#CCO 1327636533 WRAAIHSAIGIVGK-CQSZACIVSA-N 386.857 -0.015 30 20 GBED N#Cc1cccc(NC(=O)CCN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 1345017801 QKYXTTZSETXVSI-SJORKVTESA-N 392.481 -0.338 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCC[C@H](c2cc[nH]n2)C1 1346276383 JUBSLEVADMMCJM-VVLLMFOMSA-N 386.412 -0.242 30 20 GBED C#CCNCCC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573285615 JUQYKJMTFXIJFU-AWEZNQCLSA-N 384.444 -0.081 30 20 GBED CCO[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1CNC(=O)[C@@H](C)C#N 1578381812 DKBFVUCDLXMPAY-ZKYQVNSYSA-N 386.416 -0.052 30 20 GBED N#Cc1nc(N2CCC(N3CCCS3(=O)=O)CC2)cnc1-c1nn[nH]n1 1581878540 PWOQEALWVHYEIW-UHFFFAOYSA-N 375.418 -0.467 30 20 GBED C#C[C@@H]1COCCN1C(=O)C(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 1588331004 NGBKNNNQZGLSCY-CQSZACIVSA-N 395.423 -0.624 30 20 GBED C#CC1(O)CN(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 1588333324 MAQDPZLRDYTRCL-AWEZNQCLSA-N 381.396 -0.248 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)O)C1=O 1588832225 IJKQCNIQQDZKND-LBPRGKRZSA-N 377.328 -0.086 30 20 GBED N#CCNC(=O)CN1CC[C@]2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCC[C@@H]12 1592678483 YNEICNVLLNHAOW-CXAGYDPISA-N 383.416 -0.439 30 20 GBED COC(=O)C1(NS(=O)(=O)N2CCO[C@H](C#N)C2)CCC(C(=O)O)CC1 1598723754 CKROLHRQVUNBSD-IQLKVPPVSA-N 375.403 -0.768 30 20 GBED C#CCOCCC(=O)N(C)C[C@H](O)CNc1ncc(-c2nn[nH]n2)cc1F 1602727076 KPWBDSXBJNTRDZ-GFCCVEGCSA-N 377.380 -0.328 30 20 GBED C=C(C)C[C@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1602753973 WPMOLHOUEDEAHZ-WCQYABFASA-N 394.457 -0.023 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CC(Oc3ccc(-c4nn[nH]n4)cc3)C2)CCO1 1609495291 ZZANZIUNVBAIHB-ZDUSSCGKSA-N 391.413 -0.601 30 20 GBED Cn1cc(C[C@H](CO)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cn1 1643142183 YELKSXWRXLJHME-GFCCVEGCSA-N 377.426 -0.822 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778846174 GTHCCFVGZABLEQ-UGSOOPFHSA-N 390.444 -0.812 30 20 GBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1CCS(=O)(=O)CC1)CCO2 1783914730 AXPZAEDPNYMXCU-QGZVFWFLSA-N 385.486 -0.877 30 20 GBED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN)CCO2)C1 1785574785 RRHVVNFHXZEXER-KUHUBIRLSA-N 394.472 -0.308 30 20 GBED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793945637 RGCUAVHQLQPTFU-ZHZXCYKASA-N 378.429 -0.614 30 20 GBED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1 1795438695 PJENYKXKASJGEF-FSDCSDTHSA-N 385.530 -0.137 30 20 GBED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2 1797840027 QYONFWQQIWAZOF-VJDUQAHASA-N 379.413 -0.703 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1800777202 KPFNICWDWFEVIU-WOTRQLOPSA-N 376.413 -0.864 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCOC1 1802069615 KOPHYGPXYRVXLB-PFEUXECLSA-N 391.468 -0.139 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)COCCO)[C@@H]1c1cccnc1 1812880626 RNBMUBLDHCKKPI-KBXCAEBGSA-N 375.381 -0.816 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1832454367 KHYXZUIABPIOKC-QGZVFWFLSA-N 395.485 -0.196 30 20 GBED COc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1833861586 LMFUPBIQBVDONR-SFHVURJKSA-N 391.428 -0.198 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1834761132 QTQSKCHVEGIPNN-JXCVUKRWSA-N 376.413 -0.809 30 20 GBED C[C@H](CN1CCN(c2ccccn2)CC1)Nc1c(C#N)c(=O)n(C)c(=O)n1C 265464784 NZWILNXCLQPGQN-CQSZACIVSA-N 383.456 -0.027 30 20 GBED C#CCOc1ccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 274686692 OMGZRNNPNQQKKH-DLBZAZTESA-N 378.450 -0.386 30 20 GBED CCS(=O)(=O)N1CCN(/C(O)=N/C2CCN(C(=O)CCOC)CC2)CC1 331174833 WRRZJAZMLBANOR-UHFFFAOYSA-N 390.506 -0.105 30 20 GBED C[C@@H]1[C@H](O)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)N(CC#N)CC#N 349451375 NBOHTZIDFLCNGZ-CHWSQXEVSA-N 398.466 -0.132 30 20 GBED Cn1cc(N2CC[C@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)cn1 377951922 WCBDTNLAOVPSAU-AWEZNQCLSA-N 388.453 -0.035 30 20 GBED C=CCn1cc(CNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)nn1 424910306 YNDYBEUQSUXYSC-MRXNPFEDSA-N 376.417 -0.304 30 20 GBED COCCNC(=O)[C@H](CC(C)C)NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 442287843 FLZVSTTVIVJPMY-AWEZNQCLSA-N 392.460 0.568 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@H]34)CC2)c1 502301053 ZMOYRHNDNKLVOZ-HZPDHXFCSA-N 396.451 -0.129 30 20 GBED N#C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCO1 517306488 KMXCLDOLLOMNBJ-CYBMUJFWSA-N 378.410 -0.828 30 20 GBED N#Cc1cccc(NC(=O)CCN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 532707936 FXKJWGKERUMVCE-IRXDYDNUSA-N 392.481 -0.026 30 20 GBED C=CCN(CC(=O)c1c(O)nc(=O)n(CCC)c1N)[C@@H]1CCS(=O)(=O)C1 533387411 HGJBSAODNKYOQX-LLVKDONJSA-N 384.458 -0.201 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)C1=O 554056871 LXEFUXWORYJPLZ-ZACQAIPSSA-N 392.500 -0.009 30 20 GBED CC(C)(C)n1nnc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 594399511 VVRBXVATZRLMNH-UHFFFAOYSA-N 377.430 -0.106 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2cn(C)nn2)cc1 594617143 MMIUNVGACHCTOQ-LLVKDONJSA-N 398.470 -0.174 30 20 GBED COC(=O)CCNC(=O)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC 600071876 NSFIJWDDGJQTEL-UHFFFAOYSA-N 376.369 -0.309 30 20 GBED N#CCNC(=O)COC(=O)[C@@H](CO)NC(=O)c1cccc(Br)c1 731244964 AJMDMCFJLROOQK-LLVKDONJSA-N 384.186 -0.277 30 20 GBED C=CCN(CC=C)C(=O)COC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 754803234 GSHYLPANOIZAMT-UHFFFAOYSA-N 375.385 -0.823 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(CC[S@](C)=O)CC2)CC1 774684254 WIESHPZMFZBKRY-QLXKLKPCSA-N 383.562 -0.325 30 20 GBED CN(C)S(=O)(=O)N1CCN(Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 793483453 LGAWLUCUBQAVEF-UHFFFAOYSA-N 379.486 -0.020 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc3c(c2)CC(=O)N3C)C1=O 812582401 PFONZOPWCGAZJV-UHFFFAOYSA-N 399.359 -0.092 30 20 GBED CC(C)(CCC(=O)N[C@@H]1CCCN(O)C1=O)C(=O)N[C@H]1CCCN(O)C1=O 848135430 DGYOKJBAVFSGBF-NEPJUHHUSA-N 384.433 -0.214 30 20 GBED Cn1c(N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c(C#N)c(=O)n(C)c1=O 848717731 VMDXZIKLGMBEJV-VHSXEESVSA-N 385.346 -0.197 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC[S@@](C)=O)cc1 848941758 HGXYTLVBEQRMEL-OAQYLSRUSA-N 379.485 -0.513 30 20 GBED CN([C@@H]1CC(C)(C)OC1=O)S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 848957185 GEYPSFMNIIRKDN-LLVKDONJSA-N 393.487 -0.292 30 20 GBED C=CCn1cc(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CCO2)nn1 944599749 MXKRSXOWAOZCON-KQTLUZQSSA-N 375.429 -0.011 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCN(C)[C@@H]3CC)C[C@@H]2O)nn1 964276751 AUGXMTJQVKTSTH-ABFRBSLYSA-N 390.488 -0.114 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1OCC 983245128 QPZRONKBELDRJK-APIJFGDWSA-N 379.457 -0.177 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)nnn2CC)C1 1024069101 FKDZOWBNFJVTQZ-TUVASFSCSA-N 377.445 -0.111 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)C)nn2)C1 1024800684 JIQVVRRCXQTZPC-CRNXPOROSA-N 389.456 -0.175 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 1025457567 LZWYJVULLYKHNK-JFOHDYCDSA-N 375.425 -0.034 30 20 GBED C#CCOCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1040529111 VQWMEMVYGPRVCL-MFWIUYSUSA-N 380.441 -0.843 30 20 GBED Cc1ccc(C#N)c(N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 1043790707 HJKRKWHXHHWKKP-CAOSSQGBSA-N 385.424 -0.289 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCCCOC 1109948797 ZSAHVBUPZAKUIX-ILXRZTDVSA-N 382.461 -0.227 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC1CCOCC1 1110461719 FOYWXVQYQZMOBV-OAGGEKHMSA-N 376.457 -0.857 30 20 GBED C#CCCCCNC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 1117375315 NLNNRTNUDGUYTF-UHFFFAOYSA-N 375.429 -0.015 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(Cc2cn[nH]c2)CC1 1299621942 JHSVSLZFJWTZKB-UHFFFAOYSA-N 388.453 -0.207 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3nnc(C)n3C)CC2)c1C#N 1322203974 FGYSBKLCJSETEM-UHFFFAOYSA-N 385.432 -0.998 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCS(=O)(=O)C3)CC2)nc1 1322775410 VWUDTCVAUGCUOE-CQSZACIVSA-N 391.453 -0.705 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCN(CC2CC2)CC1 1325113650 YCQXUTHERZLZHP-HNNXBMFYSA-N 397.483 -0.060 30 20 GBED CCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)c1 1326438335 QRZRJUCEAPZIPY-KRWDZBQOSA-N 394.453 -0.522 30 20 GBED N#Cc1cc(-c2nn[nH]n2)c(SCC(=O)[C@H]2CCS(=O)(=O)C2)nc1N 1571148420 ZBQKUHPLKYRQSI-ZETCQYMHSA-N 379.427 -0.189 30 20 GBED C#CCCCC(=O)N(Cc1cnn[nH]1)C1CCN(CC(=O)NC(N)=O)CC1 1574850117 MWZONBZAYMIKLQ-UHFFFAOYSA-N 375.433 -0.404 30 20 GBED C=C[C@H](CC)CC(=O)NC[C@@]1(O)CCN(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575077924 DIAANWFBGXOMHF-ACJLOTCBSA-N 392.460 -0.507 30 20 GBED C[C@H](OCc1cnn[nH]1)C(=O)N1CCCCC[C@@H](NCC(=O)NCC#N)C1 1575823333 PPHNJNPJRWYUFI-UONOGXRCSA-N 377.449 -0.290 30 20 GBED C[C@@H]1CN(C(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C[C@H]1CNCC(=O)NCC#N 1577158853 DZYGUXCHECHTDU-FMKPAKJESA-N 388.476 -0.907 30 20 GBED N#CCSCC(=O)N[C@]1(CO)CCCN(c2cnc(-c3nn[nH]n3)cn2)C1 1581858420 FOKNCNBBAIQUGO-OAHLLOKOSA-N 389.445 -0.639 30 20 GBED N#Cc1cc(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nn[nH]n3)cn2)c[nH]1 1581865618 LYHARZFUDYFAFM-GFCCVEGCSA-N 380.372 -0.508 30 20 GBED CC(C)C#CC(=O)N1CCC(O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1589384595 LBOKEQDLWNLYLL-UHFFFAOYSA-N 385.428 -0.063 30 20 GBED O=C(O)[C@@H]1C[C@@H](O)CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1601767053 PWZVHDVMODMTSQ-VXGBXAGGSA-N 395.437 -0.201 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)O)cc1 1610622384 ZKDYEEORJIETKS-UONOGXRCSA-N 381.410 -0.071 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1779277985 KWQUREXSWWXUID-CLCXKQKWSA-N 377.441 -0.455 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1781397331 BLFZUXNFRCKFPV-GLJUWKHASA-N 380.445 -0.247 30 20 GBED C=C(C(=O)N1CC[C@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1)C(F)(F)F 1783202024 BZZHZHONIWLKJW-NHYWBVRUSA-N 393.362 -0.003 30 20 GBED C[C@@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566391 ABBGNWAEOFHCQR-AUUYWEPGSA-N 386.408 -0.200 30 20 GBED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2 1783903067 FJNCEBPEUUJKSU-FZKQIMNGSA-N 376.413 -0.782 30 20 GBED CNC(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1784410504 IFZUSVJRGOQPKJ-ONAMVWNYSA-N 393.488 -0.426 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1O)C2 1793358475 HMSXQTKAERWXTE-GUIRCDHDSA-N 376.413 -0.024 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2 1799395700 HJHIJAARGXHNRB-LXFSFDBISA-N 393.448 -0.375 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1803650427 LCXHLWMAAQDLQA-DVOMOZLQSA-N 386.364 -0.716 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1831393001 SHBUKVBZIZRTJG-OAFZBRQQSA-N 380.441 -0.748 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)c1ccco1)CCO2 1832668036 PMBAUUYLRSHMSJ-GOSISDBHSA-N 390.348 -0.993 30 20 GBED CCOC(=O)O[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834767012 KCYOYFMAINXBQH-GUYCJALGSA-N 383.401 -0.082 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1835356679 FKRHJAKXRWMTPD-VOFKWLDRSA-N 390.440 -0.419 30 20 GBED CCNC(=S)NCC(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835362696 RTGCGQNYXYEXBT-KRWDZBQOSA-N 397.501 -0.769 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1836217117 QBSNSUKMOPLRPF-GPMSIDNRSA-N 380.441 -0.340 30 20 GBED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1837695267 WURQONVICHYTGT-KBXCAEBGSA-N 378.429 -0.563 30 20 GBED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(O)O)C3)C2)c1 1839450787 HIOYHBWGHJNGLS-IBGZPJMESA-N 389.408 -0.753 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1839845135 FFRSFAJFGCQJMT-RLFYNMQTSA-N 392.460 -0.097 30 20 GBED CCCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 22845489 SFAZDAMXMLMACG-UHFFFAOYSA-N 382.398 -0.384 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCN(C)CC1 268722873 JMOFAMGUEUVFKY-AWEZNQCLSA-N 379.486 -0.411 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](CO)c1cnn(C)c1 272345719 NSFQEZATMMNGGO-IAQYHMDHSA-N 377.426 -0.192 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CCO1 273320638 PKTIZCLHJPGHBU-ZDUSSCGKSA-N 378.410 -0.183 30 20 GBED CCOC(=O)CO/N=C(/C(=O)Nc1nc(CC(N)=O)cs1)c1cc[nH]n1 278284643 ZJHJAWCBJNRKOQ-UDWIEESQSA-N 380.386 -0.184 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 281827950 UZUYZNSLKUMORE-MNOVXSKESA-N 381.501 -0.191 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)c1cc[nH]n1 286004133 SFRLNNQPBAIEQV-DUNIRCRASA-N 384.433 -0.032 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCS(=O)(=O)c2ccccc2)C1=O 299539846 OWUSGYLMDPUJNK-UHFFFAOYSA-N 379.394 -0.447 30 20 GBED O=C(CC/N=C(/O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)N1CCOCC1 329610436 JKQXBDVEFBIEIB-BHTHQVBYSA-N 379.413 -0.256 30 20 GBED CN(C)S(=O)(=O)c1ccsc1/C(O)=N/C[C@@H](O)CN1CCOCC1 330474575 IFGMBPXGGWKIED-LLVKDONJSA-N 377.488 -0.004 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCOC1 349548675 GAZXLZNEQRPOKW-VXGBXAGGSA-N 383.517 -0.644 30 20 GBED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)C[C@H](C)O1 408124912 UPECKNWMERLXAW-STQMWFEESA-N 381.458 -0.002 30 20 GBED COC(=O)[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)Cc1ccc(O)cc1 410117273 MFILWUUACVKHRZ-UKRRQHHQSA-N 383.426 -0.217 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN([C@H](C(=O)O)C(C)C)C1=O 417444495 CWNRDTCQRYGBNK-STQMWFEESA-N 390.462 -0.607 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 418834056 RBFCLYIVUOHSIF-IKGGRYGDSA-N 392.500 -0.246 30 20 GBED CCOC(=O)c1c(NC(=O)C(=O)N2CCN(CCO)CC2)c(C#N)cn1CC 421200385 YOYOSOAVKOXYSH-UHFFFAOYSA-N 391.428 -0.369 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](S(C)(=O)=O)C3)CC2)o1 502954203 WVQDLUPXJHQKNG-ZDUSSCGKSA-N 381.458 -0.378 30 20 GBED COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)NCC(=O)NCC#N)c1 511907923 DUWMCNMQIWMVQC-UHFFFAOYSA-N 388.388 -0.539 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CC(=O)N3CCOCC3)CC2)o1 554369759 CIBXTQDVAUQSKM-UHFFFAOYSA-N 390.444 -0.706 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)CC1 569298687 WPADWGNASIYGFG-CQSZACIVSA-N 379.442 -0.402 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CC(O)(CC#N)C2)c1 576172265 GLTGFRLPPIUKAN-GFCCVEGCSA-N 398.466 -0.132 30 20 GBED C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 594627957 LSKSYVYEJJANNU-LLVKDONJSA-N 386.455 -0.660 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCOC2)c1 594631673 SAJFQXFLOKXSIP-LBPRGKRZSA-N 384.439 -0.208 30 20 GBED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)N3CCN([C@@H]4CCOC4)CC3)C2)nc1 595206387 YBIDOKQPYOLGSO-SJORKVTESA-N 399.451 -0.134 30 20 GBED O=C(O)COc1ccc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 739826262 MKYJTQMBFZBIAO-NXVVXOECSA-N 395.393 -0.045 30 20 GBED C#CCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 748548851 GECONXVOQZNKCW-UHFFFAOYSA-N 382.442 -0.578 30 20 GBED C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CN(C)CCO1 770237969 VNGMXUDANYRLFK-GXTWGEPZSA-N 380.470 -0.050 30 20 GBED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 787773628 BPCUCRXFDQBIPA-CYBMUJFWSA-N 394.457 -0.978 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(-c3nn[nH]n3)cs2)c1=O 823861923 SYPLRMPPKJNQMJ-UHFFFAOYSA-N 397.445 -0.966 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CN(CC#C)C(=O)OC(C)(C)C)CC1 831585480 VZFCFIXRXYFTHF-UHFFFAOYSA-N 398.485 -0.532 30 20 GBED CCOc1ccc(N2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)nn1 850723457 RPEPYMXUGRQELF-UHFFFAOYSA-N 384.400 -0.117 30 20 GBED N#Cc1cc(F)ccc1N1CCN(C(=O)C(=O)NC[C@H]2CNCCCO2)CC1 884724093 ILPUSYDQHJEWRU-MRXNPFEDSA-N 389.431 -0.159 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCNC(=O)C1 996932003 RISBIKCRUBKLHE-CUGJGTHOSA-N 390.484 -0.353 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCN(C)C(=O)C1 1006385761 OHUNEKXIXUSUMT-MTSZKFMLSA-N 390.484 -0.400 30 20 GBED Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1Nc1cnc(C#N)cn1 1052750587 UYTFKXHJLGPLIZ-XJFOESAGSA-N 380.412 -0.390 30 20 GBED C#CCOCCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1056028783 AHWVAAIGBDAJNE-PDEVXQQTSA-N 376.453 -0.081 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(CO)(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1081007347 MRGMIQDJTDPASQ-XGUBFFRZSA-N 379.457 -0.441 30 20 GBED N#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccco2)C[C@@H]1n1ccnn1 1130015580 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C#CCOCCNC(=O)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 1342444296 FDEVJLFKWLOXRL-ZDUSSCGKSA-N 388.384 -0.864 30 20 GBED COCCOC[C@@H](C)NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1346718271 ZDXLOXACNNDFRG-KGLIPLIRSA-N 390.444 -0.447 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 1347037650 ASZXJBJMMXMODU-QWHCGFSZSA-N 390.400 -0.313 30 20 GBED C#CCN(C(=O)CNC(C)=O)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 1573282939 NUKJFLKFDVXEFO-UHFFFAOYSA-N 383.416 -0.777 30 20 GBED CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1578380560 SZFCDIANDVREKS-MISXGVKJSA-N 386.416 -0.052 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)[C@H](C)C1 1588351007 CGLKJSLQARFIGP-MCIONIFRSA-N 381.444 -0.565 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)cn1 1588370022 ITMANSSDZPEURJ-CHWSQXEVSA-N 377.368 -0.988 30 20 GBED C=C[C@@](C)(O)CC(=O)N1CCC[C@@](CO)(Nc2cncc(-c3nn[nH]n3)n2)C1 1588500574 ABKUMNBFFUDTGK-IAGOWNOFSA-N 388.432 -0.251 30 20 GBED C=CCNC(=O)[C@@H](C)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588657750 VUFDCKBZLFRTMU-VXGBXAGGSA-N 390.448 -0.750 30 20 GBED N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)N1CCN(C(=O)c2ccco2)CC1 1592684203 SJZTXJRYPRTUGF-UHFFFAOYSA-N 381.356 -0.488 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC[C@@H]3CC(=O)O)CC2)o1 1610551685 RGDYXBYVCMVTOF-ZDUSSCGKSA-N 377.401 -0.321 30 20 GBED N#Cc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](N)CN)C2)cc1 1777999235 IYSJJSZFPQZEOD-WAOWUJCRSA-N 399.495 -0.099 30 20 GBED CC(=O)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1781795779 NMNIJQSAECLZMA-RDTXWAMCSA-N 379.413 -0.886 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782658315 BABGPZFSJJFMKM-HNAYVOBHSA-N 388.424 -0.889 30 20 GBED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1783898438 RRHMOZDXERHWGZ-TVQRCGJNSA-N 383.392 -0.187 30 20 GBED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786699132 IVDMGBFWEVXVHR-NUXNZHGMSA-N 393.440 -0.114 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nccn3)[C@H]2C1 1789969817 MJEBRPAAWYRNBE-VGWMRTNUSA-N 391.472 -0.169 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncn1C)C2 1792485366 IKWPRMJKXXNOGF-OLDVJPBNSA-N 387.440 -0.518 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)nn1)C2 1793344242 FYGLSNFEONVBLN-VWPFQQQWSA-N 388.424 -0.273 30 20 GBED Cn1cncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597995 PNLIXUNXIIMTOK-MIFYACCESA-N 388.472 -0.095 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)n[nH]1 1795691787 OWSUMRUFXAPWGY-DRXBFXEBSA-N 392.412 -0.172 30 20 GBED C#CCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796573848 ISMAXIYBWZYUOL-CLLJXQQHSA-N 383.412 -0.132 30 20 GBED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)OC 1801200760 HTJPRSUIFMPYSX-XOIINTDNSA-N 383.445 -0.085 30 20 GBED COCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835672968 PEAJRJGJWAUFDW-GOSISDBHSA-N 382.461 -0.629 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1839713200 XKDLOXTZGMXQKD-MAUKXSAKSA-N 375.429 -0.291 30 20 GBED CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812495 VCFLFBJMOUDKLV-GOSISDBHSA-N 378.429 -0.727 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)CCC1 1840812986 WWFHNMBMPKUBDL-IFXJQAMLSA-N 390.440 -0.585 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CCC1 1840815860 KICQQFWQKIPGID-GOSISDBHSA-N 375.381 -0.775 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844296117 LIOHEIWPNIMACQ-CABCVRRESA-N 381.473 -0.587 30 20 GBED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1 1845808768 BWNHSTKFECAEHP-UHFFFAOYSA-N 381.429 -0.284 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 268710905 DQZJGOLLMOBQNT-NHYWBVRUSA-N 385.467 -0.082 30 20 GBED CNC(=O)[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCO1 272764830 GKMJFEVDTQAEDU-RISCZKNCSA-N 380.426 -0.802 30 20 GBED COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 291186643 CLHYNGZNKHENNJ-AWEZNQCLSA-N 391.409 -0.540 30 20 GBED CCN1CCC(/N=C(/O)CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 329840837 OGMSMLPZNNKNPF-UHFFFAOYSA-N 393.492 -0.611 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)C(=O)C1(C)C 349480499 XYQMQWVDZUBGAX-NSHDSACASA-N 380.492 -0.910 30 20 GBED N#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccon2)CC1 349516451 DBPHQJMBXNGVTP-UHFFFAOYSA-N 377.448 -0.723 30 20 GBED N#Cc1cc(F)ccc1CS(=O)(=O)N1Cc2nnc(O)n2C[C@H]1C(=O)O 424394884 UNYNOWNHPGDIML-NSHDSACASA-N 381.345 -0.207 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C(N)=O 440964041 USHFGSQDRIELDN-KBPBESRZSA-N 395.423 0.546 30 20 GBED COC(=O)CCN1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)[C@@H](C)C1 442075820 VYKQSEOIWKTBHW-ZDUSSCGKSA-N 390.444 0.370 30 20 GBED CN(C)S(=O)(=O)NCCNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 455109550 VQPWNRPUONEAFG-UHFFFAOYSA-N 395.420 0.401 30 20 GBED N#Cc1ncc(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1Cl 455751692 BFSHRXNOKSLNQY-UHFFFAOYSA-N 375.780 -0.031 30 20 GBED Cn1ncc2c(N3CCN(C(=O)COc4cnc(C#N)nc4)CC3)ncnc21 488740355 XOQLAVOKAZGSDY-UHFFFAOYSA-N 379.384 -0.247 30 20 GBED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccnn2C)c1=O 502019396 VYHXERSREQNHIN-LBPRGKRZSA-N 387.465 -0.517 30 20 GBED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C)c1=O 555428354 VQRDCMXCOOKBMU-UHFFFAOYSA-N 387.465 -0.539 30 20 GBED C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2ncc(C#N)s2)CO1 594640195 KHMFLDJKGIUWLV-ZJUUUORDSA-N 394.500 0.243 30 20 GBED Cc1cc(N2CC(N3CC[C@@H](O)C3)C2)c(C#N)c(N2CC(N3CC[C@@H](O)C3)C2)n1 596294635 HHBCUBIQGPDUFZ-QZTJIDSGSA-N 398.511 -0.228 30 20 GBED Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1C#N 610374410 GOMGVKDSNKOTOY-UHFFFAOYSA-N 379.442 -0.244 30 20 GBED N#CCCCS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCNC(=O)C2)cc1 748887608 VHEFHPHRYCZOOG-UHFFFAOYSA-N 393.421 -0.121 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC(=O)NCCC#N 762946714 YFFQEARKEBXUON-JTQLQIEISA-N 382.398 -0.975 30 20 GBED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cn(CC(=O)N(C)C)nn1 766979738 JUVHBMQLHDVKBJ-UHFFFAOYSA-N 392.397 -0.635 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCCN1C(=O)CNC1=O 767627186 LTNOFIJPNKKOGQ-NSHDSACASA-N 394.409 -0.290 30 20 GBED CCNC(=O)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N 769205152 JEMHWONOYGBZGD-JTQLQIEISA-N 382.398 -0.386 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 771757357 SKVUYEFDSWGVTF-IBGZPJMESA-N 385.512 -0.228 30 20 GBED Cc1nc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nn1C 815562000 VIRCMVRLHLIJMM-QWRGUYRKSA-N 377.405 -0.063 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(CC(N)=O)CC2)c1 816997615 SNMJMUZKAHRBBR-UHFFFAOYSA-N 380.470 -0.170 30 20 GBED N#C[C@H]1CNC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 834493584 FMNPWOXRVKJROY-XHDPSFHLSA-N 382.417 -0.312 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CS(C)(=O)=O 960104117 LAMLKXFWQRKEPX-CBBWQLFWSA-N 386.470 -0.550 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCNC(=O)C1 996980721 SLDLUWXORTVSGZ-NRKLIOEPSA-N 390.484 -0.353 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(O)CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1043028413 MGDLKZIHNWSHJI-DZTUFKMZSA-N 391.468 -0.430 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnn2c(=O)cc[nH]c12 1111110855 PPIYDPQXTFHCHK-MXYBEHONSA-N 382.424 -0.504 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nc2nccc(C)n2n1 1111347081 JEGVJMFTJUZQTM-TUVASFSCSA-N 381.440 -0.094 30 20 GBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)CCOC)cc1 1116921809 JABTZNCDAUXPOI-CQSZACIVSA-N 382.438 -0.064 30 20 GBED C=CCN(CC=C)C(=O)CN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](C)C1 1208579862 IJIIAXIUKJEKRX-LVQVYYBASA-N 378.473 -0.344 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NC[C@@H]1CSCCS1 1322761707 YNHPDSZAHNKYOL-LRZCVGBLSA-N 384.483 -0.406 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ccnnc1)[C@H]1CCCO1 1327764342 CDXSXZKNNVPCGD-ZIAGYGMSSA-N 388.471 -0.291 30 20 GBED C=CCn1cc(CNC(=O)C(=O)Nc2cc(S(=O)(=O)NC)ccc2C)nn1 1332026303 DHFCMWYDSFSSAQ-UHFFFAOYSA-N 392.441 -0.064 30 20 GBED CN1C[C@@H](C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c2ccccc2C1=O 1341806206 XSKFIGHVHDPGKF-HUUCEWRRSA-N 389.433 -0.178 30 20 GBED C=CCn1c(CN2CCC(CO)CC2)nnc1N1CCN(CCOC)C(=O)C1 1342150469 QUWDXASNCOVFMT-UHFFFAOYSA-N 392.504 -0.037 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(CO)(CO)CC1 1471743404 VKSYJCKNDSFWKM-CYBMUJFWSA-N 381.454 -0.182 30 20 GBED Cn1cc([C@@H]2CN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC23CCOCC3)cn1 1569322495 QTGGCIRDHHKIHT-HNNXBMFYSA-N 398.423 -0.023 30 20 GBED C#CCN1CCN(c2nnc([C@H]3COCCN3)n2C[C@@H]2COCCO2)CC1 1574707494 UFTZNWGCLVCMPT-HZPDHXFCSA-N 376.461 -0.890 30 20 GBED N#Cc1cnccc1N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 1581883597 PDEWAWOOLZEQAO-DOMZBBRYSA-N 379.384 -0.169 30 20 GBED C=C[C@](C)(O)CC(=O)N(CCO)CCNc1ncc(-c2nn[nH]n2)cc1F 1588498910 FFCDJSFBUMNLIT-INIZCTEOSA-N 379.396 -0.039 30 20 GBED CCN(C(=O)Cn1c(C)nc(C#N)c1-c1nn[nH]n1)[C@H]1CCS(=O)(=O)C1 1590670064 IFBFDYYVKAUCSD-JTQLQIEISA-N 378.418 -0.721 30 20 GBED COC(=O)CCNC(=O)CCNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1591264465 BRYCCLMZSJRSKC-CQSZACIVSA-N 399.411 -0.265 30 20 GBED COCC#CCN1CCN(CCN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1591362693 WGIKYYNYOILUKW-UHFFFAOYSA-N 386.460 -0.466 30 20 GBED N#CCC(=O)N1CCN(S(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2F)CC1 1592671778 OGMJWKICTIDEGW-UHFFFAOYSA-N 393.404 -0.107 30 20 GBED COC(=O)[C@@H]1CSCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1634920617 JEXHPGDKNPAOJV-ZDUSSCGKSA-N 383.451 -0.046 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779096519 NUEPXTJCUMUKLX-MJGOQNOKSA-N 379.457 -0.730 30 20 GBED CNC(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779099356 FKEVJNCGFXZPSB-HUWVGRHQSA-N 396.444 -0.519 30 20 GBED C[C@@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2)N1CCN(C)CC1 1781102601 ZRFWODATRFGKED-HDMKZQKVSA-N 384.546 -0.230 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(C)=O)C1 1781761217 VTBSDNDHNAQIPP-ZSZQSSIHSA-N 379.457 -0.325 30 20 GBED N#Cc1ccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)CNC(N)=O)C3)C2)cc1 1785623654 GFIHOQCGAXYEDB-FQEVSTJZSA-N 399.451 -0.011 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786884248 BREAEJOTQQXVAE-YXMSTPNBSA-N 396.488 -0.850 30 20 GBED C[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1791048775 COOHNUMDLIKYGG-OYGROMBTSA-N 383.445 -0.124 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078285 SNDATGVFGSLGAQ-AJNGGQMLSA-N 379.413 -0.145 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(N)=O 1800517352 OUORPQXLEOCQHC-FVCICTRLSA-N 381.429 -0.649 30 20 GBED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)C2)cc1 1800519910 FGFLBOPRLYQJIH-PDOICOKGSA-N 396.447 -0.174 30 20 GBED CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)ON=C(C)C)C2 1800535266 MWQMMVYLDGVIKW-XHXGSEDSSA-N 382.461 -0.099 30 20 GBED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)CC)C2 1800990917 DMJUBPMIBXSLNG-MPTYRVRUSA-N 399.513 -0.293 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CSc2nc[nH]n2)CC1 1801300320 QOVHCYICZQETAU-PTEHBNRSSA-N 376.442 -0.210 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCC(=O)N3)sc2C1 1814061611 KLVIPGUGMXCXAN-SCZZXKLOSA-N 376.394 -0.578 30 20 GBED NC(=O)[C@H](N)CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1817360546 UFVZPYBWPKBSCB-PWSUYJOCSA-N 390.400 -0.917 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)C1 1829661373 XDSWNQPEMKWKQO-QRWLVFNGSA-N 391.468 -0.065 30 20 GBED Cc1nnc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)o1 1831213658 YSODOSSZDQNZAU-LJQANCHMSA-N 388.424 -0.210 30 20 GBED CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1831281040 LWKBKMZQNFLIAL-GOSISDBHSA-N 378.429 -0.727 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)[nH]n3)C2)C1 1831397246 PWEZHRDXYYYFRS-DNVCBOLYSA-N 390.440 -0.174 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1831438965 YTPQNABDOOLGQM-KBXCAEBGSA-N 399.444 -0.610 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1831485669 IFQOZCLXCAXTDS-GUYCJALGSA-N 397.501 -0.161 30 20 GBED Cc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1F 1833674208 UTCUURDREGNNTH-QGZVFWFLSA-N 394.359 -0.985 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834380814 IQHHGYONCBJVTN-SFHVURJKSA-N 375.429 -0.111 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1834768726 LSMPJMFTSNPORD-KUHUBIRLSA-N 387.440 -0.115 30 20 GBED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H]3C[C@@H](O)C3)CC2)CC1 1835444814 UIVUWWFIIMXGFT-AKAXFMLLSA-N 377.441 -0.583 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1839809952 VZBKHAMWXMPZON-TWOQFEAHSA-N 389.452 -0.523 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840592350 GOTTWIRJZBHPLJ-OXJNMPFZSA-N 394.468 -0.214 30 20 GBED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842873100 MBFPPFUSWNKKPX-UHFFFAOYSA-N 389.389 -0.103 30 20 GBED Cc1c(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)cn2[nH]cnc(=O)c12 1846196095 KKKYPCRAYBRTAT-UHFFFAOYSA-N 383.364 -0.764 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 22832334 HDPFGYBFZTYNQZ-UHFFFAOYSA-N 380.382 -0.608 30 20 GBED CC/N=C(/NCCN1CCCS1(=O)=O)N1CCO[C@H](c2cnn(C)c2)C1 261721597 ILXNWOCABUQJIW-HNNXBMFYSA-N 384.506 -0.206 30 20 GBED COC(=O)c1cn(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nn1 276858804 FUFBJCSGSRIOLG-CQSZACIVSA-N 382.380 -0.146 30 20 GBED C=CCn1c(S(=O)(=O)CC(=O)NCc2ccc3c(c2)OCO3)n[nH]c1=O 284034105 OKZVBMRATHBWBR-UHFFFAOYSA-N 380.382 -0.424 30 20 GBED C[C@H](/N=C(/O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)c1nncn1C 329530036 IOEJNUVTUGOSSN-QWHCGFSZSA-N 386.478 -0.084 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3C[C@@H]4CNC[C@@H]4C3)C2=O)cc1 418900480 DBJXJZVVBNOLRV-HLLBOEOZSA-N 381.436 -0.152 30 20 GBED C[C@@](O)(CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)CN1CCOCC1 443241163 AGJZBIQHDNESOR-OAHLLOKOSA-N 384.414 -0.172 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H](O)[C@@H](CO)C3)CC2)c(F)c1 460073774 FAHVIDHDTPZMEQ-CZUORRHYSA-N 376.388 -0.842 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@](C)(O)CN2CCOCC2)n1 540265423 NGPITLBVOUNNKX-GOSISDBHSA-N 392.460 -0.352 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCCCN2CCN(CC)CC2)C1=O 559832343 RBUWHBGWLFSOCX-QGZVFWFLSA-N 393.532 -0.234 30 20 GBED CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 574674428 ULQVWHLWFZBJPY-LSDHHAIUSA-N 384.440 -0.367 30 20 GBED CCN1CCC(N2CCCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)CC1 592058813 OVMRTJZKNNVFQO-QGZVFWFLSA-N 385.534 -0.052 30 20 GBED COc1ccc(N2C[C@@H](NS(=O)(=O)N3CCO[C@H](C#N)C3)CC2=O)cc1 594823326 UOCLPRNSXWJZOM-SWLSCSKDSA-N 380.426 -0.141 30 20 GBED CNC(=O)c1cc(O[C@H]2CCCN(c3c(C#N)c(=O)n(C)c(=O)n3C)C2)ccn1 599106470 JFCBNHJHPRQXBP-ZDUSSCGKSA-N 398.423 -0.242 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1CC(N)=O 608911884 UXOWHQOBLZDVTD-UHFFFAOYSA-N 396.472 -0.237 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 728534442 LBWYQDUOPXQGIT-GOSISDBHSA-N 382.464 -0.071 30 20 GBED CCc1nn(C)c(CC)c1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 755803803 IXIAAEVHTCFPMC-UHFFFAOYSA-N 382.446 -0.745 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C1 756890192 IIYVYYWRBOPTAN-STQMWFEESA-N 386.474 -0.408 30 20 GBED C#CCNS(=O)(=O)N1CCN(CCN2C(=O)c3ccccc3C2=O)CC1 761022688 CQMVJRWPYWQLJQ-UHFFFAOYSA-N 376.438 -0.632 30 20 GBED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H](CO)NC(N)=O)cc1 765472638 YBMSDZIYIFTZCQ-XLCLWTIASA-N 383.430 -0.533 30 20 GBED CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 768731745 LUKOJQSDIKUVCG-KRWDZBQOSA-N 397.453 -0.066 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 783302882 HBONLVISYLGZDD-UHFFFAOYSA-N 386.518 -0.217 30 20 GBED COCCNC(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 784212300 OFSOZGIPWAUITA-NEPJUHHUSA-N 383.426 -0.081 30 20 GBED C[C@@H](C(=O)NCc1ccc(C(=O)NO)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 819552271 RSDKPNYLHBUPKB-XNHWVXRISA-N 387.392 -0.027 30 20 GBED C[C@H](OC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)O 827391827 LOVHQDXDGILTPT-ZJUUUORDSA-N 397.409 -0.364 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C[S@@](=O)c2cccc(OC)c2)CC1 831580003 VAFWFXJQKAXNEP-RUZDIDTESA-N 399.494 -0.585 30 20 GBED C#CCCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccon2)CC1 848962646 LHOLHUBQLOEVJB-UHFFFAOYSA-N 390.487 -0.223 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C[C@@H]2O)c1 970414001 BOHFTYGFTPQGHZ-IECFSIQFSA-N 385.420 -0.584 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1n1ccnn1 990963156 YVFCYEOOMKGEDO-WCVJEAGWSA-N 385.428 -0.215 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C1 1025755345 FBEDBODVNYZDHZ-MPESAESLSA-N 388.424 -0.618 30 20 GBED Cc1cc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2cn(CC(N)=O)nn2)c(C#N)cn1 1055044960 WBWDOZAIYCIUQZ-IPYPFGDCSA-N 380.412 -0.122 30 20 GBED C=C(C)CCN1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094659732 NOQUMWCOYATOOH-FXUDXRNXSA-N 383.514 -0.013 30 20 GBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1102359634 TZRAPZWABFZKGG-FPCVCCKLSA-N 378.473 -0.944 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCc1cnn[nH]1 1109736715 AGCITTDFQMSFJM-RDBSUJKOSA-N 375.433 -0.529 30 20 GBED N#Cc1ccc(OC2CN(C(=O)NCCS(=O)(=O)N3CCOCC3)C2)cc1 1116625193 WKTFOMPTKLIIKD-UHFFFAOYSA-N 394.453 -0.007 30 20 GBED C=CC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1)c1ccncc1 1117155009 VXMUAQQBLHVDDN-OAHLLOKOSA-N 396.469 -0.407 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 1117263341 DJOYOMQZWWDBRP-OAHLLOKOSA-N 389.456 -0.283 30 20 GBED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 1120386289 CPMYTQRTNUSUSI-MRXNPFEDSA-N 392.481 -0.248 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)[C@H]1CCCO1 1261154913 VRVUQXWVXRWVLP-OFQRWUPVSA-N 382.424 -0.318 30 20 GBED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1320690154 PPBQVMWGBSXBOJ-CYBMUJFWSA-N 376.417 -0.311 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCC1(N(C)C)CCC1 1324877924 IJNUMEPJGYHYHK-AWEZNQCLSA-N 385.472 -0.014 30 20 GBED CN1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)[C@H](CNC(=O)OC(C)(C)C)C1 1328533731 RSVITVQPZLVLHZ-ZIAGYGMSSA-N 395.460 -0.595 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 1330494828 DLHIXFPXGAVWFB-HNNXBMFYSA-N 399.513 -0.195 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)Cc1ccccc1)[C@H]1CCCO1 1332760500 HZVMUECGLMAQHV-HZPDHXFCSA-N 393.465 -0.481 30 20 GBED C=C(Br)Cn1nnnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1335365085 ZOVYZRRHKGYTPG-UHFFFAOYSA-N 384.238 -0.491 30 20 GBED N#Cc1ccccc1N1CCCN(C(=O)C(=O)N2CCO[C@H](C(N)=O)C2)CC1 1344687624 UTILURDXWQHJSA-INIZCTEOSA-N 385.424 -0.690 30 20 GBED C=CCn1c(Cc2noc(C[C@@H]3CNCCO3)n2)nnc1N1CCOCC1 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C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1788573696 GPVGYEIEWOFIRW-UYLCUJDWSA-N 395.500 -0.738 30 20 GBED CCS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]2C1 1791260629 PDIORUKFELMBRO-VOAKCMCISA-N 378.516 -0.281 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 1792581638 XINGBLCZAWZORC-JBXGNFEISA-N 393.484 -0.325 30 20 GBED C[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796574453 UTFKQWLLZRIZIA-QEYWKRMJSA-N 377.430 -0.617 30 20 GBED C[C@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1799289548 HULDQOIUCMZPSE-WKZKRTRNSA-N 376.413 -0.577 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1807610333 RHTGMCQSQHQDPI-KYJSFNMBSA-N 397.439 -0.188 30 20 GBED CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1830039051 PCJNVRSPJXKWHG-IBGZPJMESA-N 392.456 -0.873 30 20 GBED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)C(C)(C)C#N)CCO3)C2)CC1 1830064938 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O=C([C@@H]1C[C@H](O)CN1)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844301791 JAYPRYCNAVEQSJ-BSBIIUPLSA-N 380.445 -0.558 30 20 GBED CS(=O)(=O)N1CCN(c2ccc(NC(=O)N3CCO[C@H](C#N)C3)cn2)CC1 70056569 XXCYYKJSFMSMKA-CQSZACIVSA-N 394.457 -0.081 30 20 GBED CN(C(=O)COC(=O)CNS(=O)(=O)c1cnn(C)c1)C1(C#N)CCCCC1 108760691 CVHLDPMXYIXGLJ-UHFFFAOYSA-N 397.457 -0.074 30 20 GBED CC(C)CS(=O)(=O)N1CCC(Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC1 272041053 UWRSXEFCENAFOW-UHFFFAOYSA-N 383.474 -0.182 30 20 GBED CCOC(=O)CO/N=C(/C(=O)Nc1ccn(CC(=O)OC)n1)c1cc[nH]n1 276506698 AOLAKIMDBFAFNE-XSFVSMFZSA-N 378.345 -0.298 30 20 GBED CC[C@H](N/C(O)=N/C[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)N1CCOCC1 328769612 CGLKCHHJMAKGDW-STQMWFEESA-N 376.479 -0.591 30 20 GBED C/C(O)=N/C[C@@H]1CN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CCO1 329565971 OONBUWCHETXNCG-SJORKVTESA-N 396.488 -0.097 30 20 GBED Cc1n[nH]cc1NS(=O)(=O)CCCS(=O)(=O)N1CC(O)(CC#N)C1 349456767 JDVAAFBMSWBOAI-UHFFFAOYSA-N 377.448 -0.860 30 20 GBED C[C@H]1[C@@H](C)N(C)CCN1S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 349458221 GEBIBHYQQAIBAD-OLZOCXBDSA-N 378.520 -0.294 30 20 GBED C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)CCCS(=O)(=O)NCC#N 349463044 BEMWAMLGNJKNJA-UONOGXRCSA-N 378.520 -0.292 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N[C@@]2(C#N)CC2(C)C)CC(=O)N1 349506780 UBUCCACCRNOGRA-SMDDNHRTSA-N 392.503 -0.862 30 20 GBED N#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccccn2)CC1 349529188 ZEVVFTSFHCJABJ-UHFFFAOYSA-N 387.487 -0.316 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2ccccc2F)n1 364821704 PTOFZOFLWVCGQT-HNNXBMFYSA-N 384.371 0.574 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 374455573 BAGBRLSHIBNRPU-OAHLLOKOSA-N 387.506 -0.668 30 20 GBED COc1ccc(C[C@@H](CO)CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1O 410126518 ANJNANZEKQTMRM-ZIAGYGMSSA-N 385.442 -0.389 30 20 GBED COC(=O)[C@@H]1CN(C)CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 411757586 LPTLPAHWINNFSJ-CYBMUJFWSA-N 390.444 0.011 30 20 GBED COc1cc(N2CCN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)CC2)ncn1 461780304 XIIWNXMFNKKARB-UHFFFAOYSA-N 398.427 0.422 30 20 GBED CNCCCc1[nH]nc(NC(=O)Cn2ccc3c(=O)n(C)c(=O)n(C)c32)c1C#N 534055765 UCRGPUDBRICAIC-UHFFFAOYSA-N 398.427 -0.576 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 535024811 GVBJNWPGXKTLOT-UHFFFAOYSA-N 396.411 -0.486 30 20 GBED C[C@@H]1CCN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C[C@H]1C(=O)O 566855939 PTTZZIBROBEFGE-ZYHUDNBSSA-N 376.417 -0.176 30 20 GBED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@H]3[C@@H](O)CC[C@H]3C2)c1 576768203 OUVMVJVPVRSFEL-GLQYFDAESA-N 385.467 -0.120 30 20 GBED CNC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 589411074 FZJONYSJAJPHMM-LLVKDONJSA-N 382.384 -0.393 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@H](O)[C@@H](O)C3)CC2)cc1 600216975 KHVPHDCNTQXYLY-HOTGVXAUSA-N 379.438 -0.477 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CC1 672355621 BRZWRZUODRXSNV-SFHVURJKSA-N 377.533 -0.009 30 20 GBED Cn1c(C=NNC(=S)NCCc2ccccn2)nc2c1c(O)nc(=O)n2C 726424280 YXMCJIXRIKCCRC-UHFFFAOYSA-N 386.441 -0.192 30 20 GBED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)cn1 732663327 RWXMALZEILCACP-UHFFFAOYSA-N 375.479 -0.741 30 20 GBED N#Cc1cccn(CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1=O 758206557 OXGNQOWMWABMTG-UHFFFAOYSA-N 391.409 -0.624 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 805276226 URGQBARFHURHGN-CYBMUJFWSA-N 381.520 -0.100 30 20 GBED C#CCCCNC(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 806909178 ZRQDXUHPGGAJNL-UHFFFAOYSA-N 388.449 -0.191 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=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 831574257 BZDCAFZKOZHWFU-BODKRKHHSA-N 375.494 -0.008 30 20 GBED COCCN(CC#N)CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 839084640 BFXVZRQRNDTRDU-SFHVURJKSA-N 389.412 -0.035 30 20 GBED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)[C@H]1CCS(=O)(=O)N1 845373128 NJTZIUUVZIGCPI-CYBMUJFWSA-N 389.393 -0.083 30 20 GBED C#C[C@H](CC)NS(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 848962895 BQJUYDJTMHDEHJ-OLZOCXBDSA-N 379.529 -0.022 30 20 GBED C=CCOc1ccc(CC(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1 970668118 GEVRJUBCWZCTPC-TWMKSMIVSA-N 387.436 -0.397 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@H]21 975261310 OXHWOIUMRMCHJM-LPWJVIDDSA-N 377.401 -0.660 30 20 GBED Cn1c(CN2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2c[nH]c(C#N)c2)cc(=O)n(C)c1=O 1095331476 ROCLPHDMQCPBNA-KBMXLJTQSA-N 382.424 -0.181 30 20 GBED N#Cc1cccc([C@@H]2CN(C(=O)C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)CCO2)c1 1117559405 IEGVOIZMLORBMG-OAGGEKHMSA-N 386.408 -0.393 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)CCN1C1CC1 1118943572 ATCWTQNZIPUQQU-MRXNPFEDSA-N 388.472 -0.455 30 20 GBED N#Cc1ccccc1OC[C@H](O)CN[C@@H]1CC(=O)N(CCN2CCOCC2)C1 1262567338 POEBRCZUYHPEIH-QZTJIDSGSA-N 388.468 -0.179 30 20 GBED Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)n(CCC#N)n1 1319920147 VEBNMFXFQXLUKB-STQMWFEESA-N 376.417 -0.204 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCOCC(F)(F)F 1321492778 XSSXHASFBUPENV-UHFFFAOYSA-N 376.339 -0.050 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@@H]2CCc3nc(COC)nn3C2)n1 1327279604 CGMLSGMWCHNRGI-CQSZACIVSA-N 399.455 -0.266 30 20 GBED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)cc1 1332595135 GMXYTIRZFABBEK-JQWIXIFHSA-N 378.410 -0.342 30 20 GBED C#CCOCCN(C)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 1336067978 SODOWGXAFZVPDO-UHFFFAOYSA-N 398.485 -0.294 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@H](C)CC(F)(F)F)CC1 1337513098 QHHRNADCPSCNOO-LLVKDONJSA-N 395.411 -0.149 30 20 GBED CO[C@]1(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CCOC1 1343352448 BGWRSAGXDYMEQG-SFHVURJKSA-N 390.444 -0.830 30 20 GBED N#CCOc1ccccc1C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 1343449228 UUTAELLGDGCORV-HUUCEWRRSA-N 379.438 -0.495 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)C1 1345956342 CISSBUGAOCCUFR-FQEVSTJZSA-N 399.451 -0.354 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H](N)CCO3)C2)C1=O 1349634187 HDVQPWRLJHEKFO-YVSFHVDLSA-N 392.500 -0.023 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCC[C@@H]2CS(N)(=O)=O)CC1 1560072554 NWXDURMACKTRBT-HZPDHXFCSA-N 385.534 -0.178 30 20 GBED C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN)[C@@H]1CCS(=O)(=O)C1 1574673233 JROFZXQGTAFIEE-ZNMIVQPWSA-N 397.501 -0.413 30 20 GBED C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](N)CC)[C@H]1CCS(=O)(=O)C1 1574674436 YUWAUDCTXNIJBQ-IHRRRGAJSA-N 394.501 -0.407 30 20 GBED CC(C)C#CC(=O)N1CCC(N(Cc2cnn[nH]2)C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1575317936 DEPCQDIHXNUAMU-CVEARBPZSA-N 386.456 -0.095 30 20 GBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c(F)c1 1581878188 ZYAORMOIHXRSMH-OLZOCXBDSA-N 383.347 -0.420 30 20 GBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 1592670654 JKGIHOVORKCBGG-SFHVURJKSA-N 398.402 -0.021 30 20 GBED N#CCSCC(=O)N1C[C@@H]2C(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H]2C1 1592680481 OZWLGIPNCZGQRH-GHMZBOCLSA-N 386.441 -0.114 30 20 GBED N#Cc1cc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)ccc1N1CCC(O)CC1 1592689330 UKEVDARYUDCGTL-UHFFFAOYSA-N 394.399 -0.070 30 20 GBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@@H]2C(=O)O 1609487391 NNFWBCHFCACYBB-VZKILSJISA-N 380.397 -0.443 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)CCO1 1609495076 VIMIULFQCSQTAI-ZDUSSCGKSA-N 379.402 -0.696 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nccn4c3)C2)C1 1778015757 BNTSVJUTSVNVOK-IBGZPJMESA-N 382.376 -0.134 30 20 GBED C[C@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019201 NITGNZDCQDCIDV-TZPTYAJZSA-N 379.461 -0.578 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1779311699 XOPSMRRJRFOZEG-CRAIPNDOSA-N 399.513 -0.113 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cnc3ccccc31)CCO2 1783567185 HEEFFYOGUPVGGP-HXUWFJFHSA-N 396.403 -0.046 30 20 GBED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1783894151 IDKRHCRWKDJXAX-BZNIZROVSA-N 382.442 -0.291 30 20 GBED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2)C(O)O 1792793254 HKPXDBLVDSSTDJ-YWVIFJGQSA-N 378.812 -0.408 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1799389517 NVJYVOBJXRGBJL-WVCIDPQESA-N 394.472 -0.097 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2 1799389602 PPHXFXGIMBGDAN-HGTKMLMNSA-N 396.444 -0.171 30 20 GBED Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)S)c(=O)nc1O 1800990297 NLCGVWMDNRHKQG-FMSGJZPZSA-N 396.469 -0.835 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCSC 1801024987 WYIHEFHFUZNPIY-RBGFHDKUSA-N 384.498 -0.272 30 20 GBED N#CCCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804091607 QMVHZNCSUWZBQC-KDOFPFPSSA-N 398.423 -0.057 30 20 GBED N=C1NCCN1CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1817299109 YEWBECPCFJMIOD-LBPRGKRZSA-N 387.400 -0.670 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835431664 SEQULTHSMXPNOK-IFXJQAMLSA-N 397.472 -0.896 30 20 GBED Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1835622986 KHEQCWRTLZXQPR-GOSISDBHSA-N 389.412 -0.061 30 20 GBED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1839887504 GKVCPORDSWCERK-OAHLLOKOSA-N 389.403 -0.863 30 20 GBED COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840319096 QIDKFGSFXLBPJI-GOSISDBHSA-N 379.413 -0.788 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCn1ccnn1)CCO2 1840446632 DYMHAEZACWTVPE-KRWDZBQOSA-N 376.417 -0.572 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2 1844239291 YKAWGSKPUQJJIS-LBPRGKRZSA-N 381.429 -0.694 30 20 GBED COC(=O)CNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 26350585 BUDQCVBEMWXAHN-CYBMUJFWSA-N 394.453 -0.458 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)C1=O 53270934 AFHBAZJCTSOZHC-CYBMUJFWSA-N 376.413 -0.272 30 20 GBED C=CCN(C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)[C@@H]1CCS(=O)(=O)C1 264435825 RKBUYXVEAYXWBP-BXUZGUMPSA-N 385.467 -0.082 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1 266572511 XFXGRJSGDNURSB-UHFFFAOYSA-N 396.407 -0.018 30 20 GBED CCOc1ccnc(N2CCCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)n1 268997533 XBQAEIXLCRVTSA-UHFFFAOYSA-N 385.428 -0.139 30 20 GBED N#Cc1cc(F)ccc1S(=O)(=O)N1CCN(CCS(N)(=O)=O)CC1 269783037 IOROCQFWZJJGNI-UHFFFAOYSA-N 376.435 -0.708 30 20 GBED N#Cc1ccc(O[C@@H]2CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)C2)nc1 292502394 XLCYMGJRRXHBLR-CQSZACIVSA-N 379.442 -0.152 30 20 GBED COC(=O)c1cc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)cnc1C 293417676 NIVKMCFDTHKREB-PFONDFGASA-N 394.409 -0.019 30 20 GBED C[C@@H]1CC(=O)NCCN1S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 349482807 TUZHTCAYAANRGN-LLVKDONJSA-N 386.455 -0.612 30 20 GBED CN(C)C1CN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@H]2C#N)C1 349503668 PLUASZNNYPTGIN-GFCCVEGCSA-N 396.560 -0.777 30 20 GBED CC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)N[C@]2(C#N)CC2(C)C)C1 349610377 JLHVLDMOABGVLM-AWEZNQCLSA-N 379.504 -0.225 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 375617687 JSNSHFPHWOFPGH-CYBMUJFWSA-N 394.519 -0.361 30 20 GBED C=CCCN(C)C(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 410704620 SKWJDFPYYUSJHV-UHFFFAOYSA-N 388.472 -0.004 30 20 GBED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3[C@H]4CC[C@H]3CC(=O)NC4)C2)nc1 410754392 IBXMOCGYCZEGIT-SOUVJXGZSA-N 383.408 -0.188 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](CN)CC(C)C)CC2)c1C#N 419948794 GHXIZJFKDVJXTK-CQSZACIVSA-N 375.477 -0.262 30 20 GBED CNC(=O)[C@@H](CO)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 451397479 HVKPGYXVUOPIQJ-SECBINFHSA-N 380.195 -0.155 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)NC2CCC(S(C)(=O)=O)CC2)CC1 466072208 CHKDWODQLFBHNS-UHFFFAOYSA-N 386.518 -0.028 30 20 GBED C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 498971188 YACLAHPPRGLLEC-COXVUDFISA-N 392.481 -0.339 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(COC)c(C(=O)OC)s2)C1=O 516752108 QEWQSSVTGGUOCD-UHFFFAOYSA-N 396.381 -0.009 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)C1=O 517752298 HCPMOULCJIDLQK-CYBMUJFWSA-N 385.424 -0.200 30 20 GBED C=CCOc1cccnc1C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 526064911 OONLXJGPSFVKLU-UHFFFAOYSA-N 386.412 -0.251 30 20 GBED C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 530336365 IRKOKTSNOJJYKT-CYBMUJFWSA-N 375.429 -0.769 30 20 GBED C=CCOC[C@H](NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12)C(=O)OC 552587288 AUILRLLJYIIJES-LBPRGKRZSA-N 396.425 -0.298 30 20 GBED N#Cc1ncn(CCNC(=O)NCCS(=O)(=O)NCc2ccccc2)n1 553950869 IMMRPGDNDQMPLE-UHFFFAOYSA-N 377.430 -0.431 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2[C@@H]3CNC[C@@H]32)CC1 581993178 UQJYTJCUQPIRBY-FOLVSLTJSA-N 375.454 -0.208 30 20 GBED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@](O)(CC#N)C2)c1 592836767 HQQOKWAXCACSQR-QGZVFWFLSA-N 394.453 -0.456 30 20 GBED CCN1CC[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C1=O 594633710 AWLPKOGNRMXDJU-LLVKDONJSA-N 386.455 -0.612 30 20 GBED COCCN(C)CCNC(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 597234117 UBRLEXGTILBPQI-UHFFFAOYSA-N 379.486 -0.037 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3COCCN3)CC2)c(F)c1 599962455 QGSWPBAKUJSATI-AWEZNQCLSA-N 375.404 -0.549 30 20 GBED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC(NS(C)(=O)=O)C1 600325885 NBOYXNVCRDGGJM-UHFFFAOYSA-N 376.442 -0.090 30 20 GBED CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)Nc2ccon2)c1=O 600606529 TYFBAYKKTVOWMJ-UHFFFAOYSA-N 375.341 -0.150 30 20 GBED COc1cc([C@H](C#N)NC(=O)Cn2ccc(=O)n(C)c2=O)cc(OC)c1OC 609008362 ZILILGFXLNQWLV-LBPRGKRZSA-N 388.380 -0.046 30 20 GBED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 609124462 BKAYLXHQQSVNBF-UHFFFAOYSA-N 383.405 -0.414 30 20 GBED C=CCN(C(=O)C(=O)N1CCC(N2C[C@H](C(=O)O)CC2=O)CC1)[C@H](C)COC 662912927 LHQNJPHWCZCUPS-ZIAGYGMSSA-N 395.456 -0.040 30 20 GBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc3nc(O)[nH]c3c2)CC1 728572448 DZQVANKTZBRYBO-ZDUSSCGKSA-N 384.440 -0.038 30 20 GBED N#Cc1cccnc1NCCOC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 732503286 XJDHLMSUZCMFFW-UONOGXRCSA-N 392.437 -0.056 30 20 GBED C=CCNC(=O)COC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 745251533 WFRAIFNUAOFQBN-UHFFFAOYSA-N 389.455 -0.492 30 20 GBED Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)c1cccc(C#N)c1)c(=O)n2C 748236088 DKPRTITYWADROV-UHFFFAOYSA-N 381.348 -0.269 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1)[C@@H]1CCCO1 773797340 RHMBMQNFQZENAE-GJZGRUSLSA-N 387.392 -0.175 30 20 GBED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CCn1cnccc1=O 816131166 LHUFZDQFCNZIIB-UHFFFAOYSA-N 377.338 -0.082 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)CC1 830382839 AGYBUDIYXWMOJC-UHFFFAOYSA-N 390.465 -0.739 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(C)Cc3ccccc3C(=O)O2)CC1 831555928 DOBQXYOOEUOGAA-SFHVURJKSA-N 391.449 -0.230 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CC)N2CCO[C@@H](CC)C2)CC1 831574206 AZUXUNMWVLDOIN-JKSUJKDBSA-N 386.518 -0.512 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@@H]1O 964193683 PDPUFGODDLRNQD-IVSAIRAKSA-N 377.445 -0.204 30 20 GBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@@H]1O 969413517 SZLBQAFXXYKMPN-DQEVTTJGSA-N 385.464 -0.383 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)Cn2cncn2)C1 990963311 ANQODABBBKBMOX-KBXIAJHMSA-N 386.416 -0.971 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 994083944 NFGYOXDGCIYSSC-TUVASFSCSA-N 392.456 -0.270 30 20 GBED C=CCn1cc(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 1040428268 NQTUCRVQFUYUAG-KSYLVVCPSA-N 387.440 -0.419 30 20 GBED C#CCNC(=O)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1074653662 UPKFEHHLQFMEGU-JSEZXORMSA-N 389.452 -0.981 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 1109473965 LQZSAPYURLMBIT-WCVJEAGWSA-N 375.473 -0.004 30 20 GBED CC[C@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCOCC1 1116227817 VIBGIWVJUZRBJJ-TZFAWSOVSA-N 379.417 -0.551 30 20 GBED N#CCOc1ccc(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 1317980814 PBRGRAZZQMMSIQ-UHFFFAOYSA-N 385.424 -0.050 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)nn1 1326251309 VJUHDWDVZCTNDH-OAHLLOKOSA-N 391.453 -0.018 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1CN(C)CCN1C 1326596906 NLMNWXJVFFKNOS-SFHVURJKSA-N 387.484 -0.105 30 20 GBED COc1cc(NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)c(F)cc1C#N 1330055872 IVROABLTSTXWDC-UHFFFAOYSA-N 384.389 -0.348 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C2CCN(c3cnccn3)CC2)CC1 1330296516 AMEGJRQPHPTISO-UHFFFAOYSA-N 392.485 -0.695 30 20 GBED CC[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C[C@H](C)S1(=O)=O 1330434982 CVCKSPPHDYEJDV-AEGPPILISA-N 382.486 -0.391 30 20 GBED CCN1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cc(C#N)c(O)nc1=O 1464694407 KBQZUMQRQXGEQU-HNNXBMFYSA-N 376.461 -0.305 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[nH]n3)C[C@@H]2O)c1 1571140064 OKKNCRMTNOSLNZ-OCCSQVGLSA-N 379.384 -0.169 30 20 GBED C[C@H](C#N)C(=O)N1CC[C@@H](N2CCN(c3ccc(-c4nn[nH]n4)nn3)CC2)C1 1573565555 RZFJKEMAZNPDQW-CHWSQXEVSA-N 382.432 -0.461 30 20 GBED C=CCCn1cc(C(=O)NCC2(O)CN(C(=O)CCCc3cnn[nH]3)C2)nn1 1575099954 HEPOEQNLJUWBSC-UHFFFAOYSA-N 388.432 -0.702 30 20 GBED COc1ccc(-c2nn[nH]n2)cc1Cn1c(=O)c(C#N)c(C)n(CCO)c1=O 1579967164 PMDFYYZRRSBWPE-UHFFFAOYSA-N 383.368 -0.581 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCc2ccc(-c3nn[nH]n3)c(Cl)c2)CCO1 1592672754 OFYMGBKHFIPCCI-SNVBAGLBSA-N 375.776 -0.113 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3COCO3)CC2)cc1 1675465105 LRPJUGSOIGPUIU-AWEZNQCLSA-N 380.426 -0.053 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)c1 1780332936 JTGFVEAKCPVOOE-IBGZPJMESA-N 385.424 -0.048 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781044056 UZCFKHKQOXJDSC-XTDOFWJNSA-N 381.473 -0.888 30 20 GBED C[C@H]1CCc2c(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)n[nH]c21 1783561626 CLMLDDJPBYDPIL-BUXKBTBVSA-N 386.408 -0.009 30 20 GBED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783983410 MFSWYJDEQYESRQ-HNNXBMFYSA-N 375.347 -0.092 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@H]2C1 1786674477 DJVLXTMVWHINNI-GVRJEKJASA-N 377.441 -0.717 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)NCC(C)C)[C@H]2C1 1787524935 HSUZUFOKKFUYAY-QZWWFDLISA-N 393.484 -0.223 30 20 GBED NC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788606249 CHKHJEZHWFXDKR-ZXVINEMTSA-N 394.476 -0.894 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncccc3F)[C@H]2C1 1789057429 LVVXMHZFYUOMTO-OBJOEFQTSA-N 375.356 -0.098 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1nc(C)no1)C2 1793342741 ODKCMVWUHOHAAW-MBMVNNNZSA-N 376.413 -0.452 30 20 GBED C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1793366878 WBJCNJHWEQOTEO-FAYQHZLMSA-N 382.482 -0.330 30 20 GBED CC(=O)N(C)[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1796454641 NCSWXWWLIWBGCX-RMIITELYSA-N 387.440 -0.044 30 20 GBED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834767010 KCYOYFMAINXBQH-CXAGYDPISA-N 383.401 -0.082 30 20 GBED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)CN)CCO3)C2)c1 1835552772 BDLIOVXHDURUCK-SFHVURJKSA-N 376.388 -0.274 30 20 GBED C[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493612 MZUCCGIYMNPCNZ-UZLBHIALSA-N 394.468 -0.478 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1839807665 DPUORFBSTLJWOF-VQTJNVASSA-N 399.403 -0.189 30 20 GBED O=C([C@@H](O)N1CCOCC1)N1CC2(CCCN2C(=O)C#Cc2ccccc2)C1 1842730857 PXRCZHBYUFERDV-LJQANCHMSA-N 383.448 -0.108 30 20 GBED CNS(=O)(=O)Cc1ccc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)cc1 14280175 MIJOFDNBYNPPHV-UHFFFAOYSA-N 377.426 -0.383 30 20 GBED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)NC(N)=O 18760314 MZLGZNNJUOUBKF-SFHVURJKSA-N 386.364 -0.110 30 20 GBED C#CCNC(=O)c1ccccc1NCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 67958279 NUROMLYKXOUGGK-LBPRGKRZSA-N 392.437 -0.526 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CCO)COC)cc1 267351412 DWIQSCDFRJEODM-AWEZNQCLSA-N 399.469 -0.055 30 20 GBED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)o1 286972297 RWZODXIZVXEGFV-GFCCVEGCSA-N 377.444 -0.082 30 20 GBED C[C@H]1CS(=O)(=O)C[C@H]1/N=C(/O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 329691077 ZNRNCHZYOLROBM-RWMBFGLXSA-N 381.520 -0.063 30 20 GBED CN(C)c1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)ncn1 349502332 NTNYCRIWSJPJBC-UHFFFAOYSA-N 388.475 -0.540 30 20 GBED C[C@H]1[C@@H](C)N(S(=O)(=O)CCCCS(=O)(=O)NCC#N)CC[S@@]1=O 349617090 MRKZFDNAMJNSDZ-IDFMNXDXSA-N 385.533 -0.619 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](S(=O)(=O)NCC)C2)c1 378427939 RTEVHLFYAAKECW-HNNXBMFYSA-N 399.494 -0.248 30 20 GBED CCS(=O)(=O)NC1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1 409564596 AULNKHVDDUTUPJ-UHFFFAOYSA-N 382.508 -0.503 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCCCN2CCNCC2)CCN1Cc1ccccc1 419876451 VQKUTPNYDSJXMB-LJQANCHMSA-N 398.511 -0.366 30 20 GBED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 444436314 MAPPMASWIDLYIG-HIFRSBDPSA-N 395.437 -0.065 30 20 GBED CC(=O)NC[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCO1 482225248 ROPQGLFYEJFXFM-WFASDCNBSA-N 394.453 -0.411 30 20 GBED N#CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 503662187 FVVWQPPYERTNOP-UHFFFAOYSA-N 394.453 -0.203 30 20 GBED Cc1c(I)cn(CC(=O)NCC(=O)O)c(=O)c1C#N 564983564 ALTOTPKXGDWSSZ-UHFFFAOYSA-N 375.122 -0.166 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC1 577167427 KZXJFBNVPTYNFG-RDTXWAMCSA-N 388.472 -0.614 30 20 GBED C=CCOC[C@H](NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2)C(=O)O 578067344 ILPGXOXFIUVHDR-LBPRGKRZSA-N 375.424 -0.050 30 20 GBED CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 610700849 QXNISIMPXHZJCL-UHFFFAOYSA-N 376.435 -0.190 30 20 GBED C#CCNC(=O)CN1CCN(C[C@H](O)COCc2ccc(OC)cc2)CC1 728572012 TWSXEOVNFQGPSL-SFHVURJKSA-N 375.469 -0.060 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CS(=O)(=O)NC2CCC(C)CC2)CC1 728608878 UXMGCAJYJIUFJK-UHFFFAOYSA-N 398.529 -0.622 30 20 GBED COC(=O)NCCC(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 733545282 YTWBGTHDPMHNJF-UHFFFAOYSA-N 379.373 -0.207 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN2C(=O)NC[C@H]2C1 752753274 JBOVDKFWLZHNLV-NSHDSACASA-N 377.426 -0.649 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(C=C)c2)c1=O 772310568 GFQGAQIFLLMMLM-UHFFFAOYSA-N 383.433 -0.894 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 872515148 GTLBBTAONGSNSH-UHFFFAOYSA-N 397.400 -0.122 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CCn1cnnn1 960848327 WLJCXRCAYMKLQH-CBBWQLFWSA-N 376.417 -0.908 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@@H]1O 964610311 BAFILLDZEISEFZ-VDERGJSUSA-N 390.440 -0.593 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 982155579 FXHNCRXRMMDJRZ-YJNKXOJESA-N 377.445 -0.426 30 20 GBED Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(C#N)c2)c(O)nc1=O 996526180 WIIXZAPSDFDSRP-XBFCOCLRSA-N 382.380 -0.139 30 20 GBED C#C[C@H](NC(=O)C(=O)NCC1CCN(S(=O)(=O)CC)CC1)[C@@H]1CCCO1 1117489411 QGROTNVUWSHAER-GJZGRUSLSA-N 385.486 -0.539 30 20 GBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)C1 1220516931 MDYSXNBCGRIJGV-MJQMVNBJSA-N 386.452 -0.588 30 20 GBED N#CCN1CCC(CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 1252832284 DJDHVMOGJGFJEL-GJZGRUSLSA-N 382.486 -0.626 30 20 GBED N#CC1(NC(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)CCCCC1 1253553726 CVVKNUPZBMAIIY-GJZGRUSLSA-N 384.502 -0.895 30 20 GBED C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1286966540 UMDKDRBUJDQVSQ-CHWSQXEVSA-N 375.433 -0.316 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@@H](O)CN2CCCC2=O)cc1 1322754187 PHPDGIJRVKJOOD-OAHLLOKOSA-N 379.438 -0.427 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1cn(-c2ccccc2)nn1 1323851420 LNTKDEUCNVPSOZ-UHFFFAOYSA-N 377.426 -0.400 30 20 GBED CN(C)[C@@H](CNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccco1 1324547106 OFMQLHOXAGHEPG-SUQMRRJOSA-N 389.412 -0.359 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CC(=O)N(C4CC4)C3)CC2)nc1 1324794952 NWDFOEBZJKZENW-AWEZNQCLSA-N 382.424 -0.519 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(c3nc(C)cc(C)n3)CC2)nn1 1325986541 LGMVOQBCWVOWND-UHFFFAOYSA-N 384.444 -0.164 30 20 GBED CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)C(=O)N2CCC(CC#N)CC2)C1=O 1327242313 JAZBPMRXEWCSCC-FZKQIMNGSA-N 375.429 -0.025 30 20 GBED COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1332615093 BFFJVUWQKHOLMD-ARFHVFGLSA-N 380.445 -0.878 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NC2CCN(S(=O)(=O)CCC)CC2)nn1 1334698166 RLAZYNAYAAGMEA-UHFFFAOYSA-N 398.489 -0.599 30 20 GBED Cn1c(C2CCN(CCC#N)CC2)nnc1N1CCN(S(C)(=O)=O)CC1 1338923262 GOZWLCLNEPIQSM-UHFFFAOYSA-N 381.506 -0.010 30 20 GBED C=CCOCc1nnc(N2CCN(S(=O)(=O)N(C)C)CC2)n1CCOC 1341272326 ASCSWZFWCIHBAU-UHFFFAOYSA-N 388.494 -0.445 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1347639013 CBXFFHJICWOJSX-ARFHVFGLSA-N 391.449 -0.020 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 1347664762 MLQNCPPVXVIASA-CVEARBPZSA-N 391.449 -0.023 30 20 GBED N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1555994855 ZWEMZUDZQBJZJW-UPJWGTAASA-N 394.457 -0.607 30 20 GBED C#Cc1cncc(C(=O)N2CC[C@H](CN[C@H](C)C(=O)NCc3cnn[nH]3)C2)c1 1575032787 MEBOPMSSLACJON-UKRRQHHQSA-N 381.440 -0.062 30 20 GBED COCCN(CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1ccnc(C#N)n1 1579800869 UVWMZSNFXRKBOI-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)cn3)C[C@H]2O)c1 1581862442 BTCMQDJYKLYODJ-GXTWGEPZSA-N 379.384 -0.169 30 20 GBED C#CC[C@@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588331636 QHPGLGXIWQMJKT-JQWIXIFHSA-N 378.414 -0.966 30 20 GBED C#CCOCCC(=O)N1CCO[C@@H]([C@H](C)Nc2cncc(-c3nn[nH]n3)n2)C1 1588359660 WDAIJFPGQMBODC-GXTWGEPZSA-N 386.416 -0.276 30 20 GBED C=CCOCC(=O)NC[C@@H]1COCCN1c1cc(-c2nn[nH]n2)nc(CC)n1 1588676388 SIEGIEMWNBZENK-GFCCVEGCSA-N 388.432 -0.257 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2C1 1602725421 KFYHIPUGFMTBIY-MJBXVCDLSA-N 382.428 -0.020 30 20 GBED C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)O)C1 1602925100 PKVOHOVLCYFQRG-VXGBXAGGSA-N 397.457 -0.259 30 20 GBED CN(C[C@H]1CCCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C1)S(C)(=O)=O 1604730368 WCQBKVYNNLKCFL-SNVBAGLBSA-N 377.434 -0.364 30 20 GBED CNC(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779061319 VZVIRLRSFBTHSQ-HXUWFJFHSA-N 391.468 -0.349 30 20 GBED N=C(N)SCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010265 FVTWIFOABNMUED-SJKOYZFVSA-N 396.469 -0.395 30 20 GBED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnnn3)[C@H]2C1 1787088949 BEBQGWAGKHYIEY-PWNZVWSESA-N 382.490 -0.393 30 20 GBED O=C(Cn1cnnn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1787089162 QDFNZTMAKBEGSV-BZSNNMDCSA-N 394.435 -0.296 30 20 GBED CCOC(CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)OCC 1791424477 RPGPKPDZLOHBKY-KKUMJFAQSA-N 396.440 -0.157 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)NC2)c1 1792583212 LWHKVGPFQDQQFG-VWPFQQQWSA-N 385.424 -0.384 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)C1)C2 1799397438 PJDCFESEMXIUQF-YMSVYLFOSA-N 380.445 -0.487 30 20 GBED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(CCO)CCO)C2 1800493305 LTVDKTSWQXERQK-CUSZFKRNSA-N 383.489 -0.925 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(Cl)n1)C2 1800777102 CARJSANTPRXDOC-WDAIWFPHSA-N 378.772 -0.579 30 20 GBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1800986311 LORCUXCGJCYMSV-MMWGEVLESA-N 379.442 -0.903 30 20 GBED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1829856576 MNLQGWPFWVILRB-KXBFYZLASA-N 392.456 -0.339 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833124475 VWOZCNKPGKRORQ-CXAGYDPISA-N 380.470 -0.206 30 20 GBED Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)cc1O 1835354129 MRCFEOLOGPQPHP-QGZVFWFLSA-N 377.401 -0.501 30 20 GBED CN(C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835672505 CZWKZWLKAUUVNU-LJQANCHMSA-N 395.504 -0.714 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)C3CC3)C2)C1 1837390868 FCBZNBCIBWXDIA-YWZLYKJASA-N 394.468 -0.005 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4CCNC(=O)C4)CCO3)C2)CC1 1840227809 AXXSPXVMNQBDMN-KUHUBIRLSA-N 390.440 -0.727 30 20 GBED CS(=O)(=O)c1cccc(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)c1 1846194503 KNNOLABPVIEASS-UHFFFAOYSA-N 390.417 -0.005 30 20 GBED C/N=C(/NCC1(CS(C)(=O)=O)CC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 261788188 QAGFZUPULOOWKH-INIZCTEOSA-N 399.517 -0.303 30 20 GBED C[C@](C#N)(NC(=O)CN1CCN(S(=O)(=O)Cc2ccon2)CC1)C1CC1 266575456 FZRLIMCETYDOGJ-MRXNPFEDSA-N 381.458 -0.070 30 20 GBED COc1ccc(C/C(N)=N/OCC(=O)NCCCN(C)S(C)(=O)=O)cc1 268612869 IVSPIZTYLZZZEG-UHFFFAOYSA-N 386.474 -0.076 30 20 GBED CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H]1CC(=O)NC1=O 268821417 SDZAWOVENVNVOA-MFKMUULPSA-N 378.410 -0.511 30 20 GBED CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CC(=O)NC1=O 268821418 SDZAWOVENVNVOA-ZWNOBZJWSA-N 378.410 -0.511 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CN(C)CCN1C 268829621 RROKWCFYVDQSGN-UKRRQHHQSA-N 379.486 -0.413 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@H](C)O)CC2)c1 270815597 IMGPPGPUCPIWHL-ZDUSSCGKSA-N 381.454 -0.184 30 20 GBED C#CCNc1nc(N2CCN(CC)C(=O)C2)nc(N2CCN(CC)C(=O)C2)n1 286845573 LZLIDSCRMZMWEK-UHFFFAOYSA-N 386.460 -0.746 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(C#N)cn2)C[C@H]1O 349519952 IUFICZPAFBLMKU-DGCLKSJQSA-N 388.471 -0.273 30 20 GBED CC(C)(C#N)CNS(=O)(=O)CCCS(=O)(=O)Nc1ccc(C#N)cn1 349555594 UURURBTZNXSSOU-UHFFFAOYSA-N 385.471 0.554 30 20 GBED Cn1c(NCCNS(=O)(=O)c2ccc(F)cc2F)c(C#N)c(=O)n(C)c1=O 440680554 YIQZUPNZBAKDIL-UHFFFAOYSA-N 399.379 -0.376 30 20 GBED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1 459931488 WUQRULOCTBXOHA-IYBDPMFKSA-N 397.435 -0.821 30 20 GBED CCS(=O)(=O)N1CCC([C@H](C)N(C)c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 569496621 RQJJXQJPUIMXPK-LBPRGKRZSA-N 397.501 -0.158 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCN(C)[C@H](C)C3)CC2)c1C#N 574543072 RLWCQTVLXVUFCQ-HIFRSBDPSA-N 387.488 -0.152 30 20 GBED COCCO[C@@H]1COCC[C@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 583471992 MDNLWOZMUKYLFO-HZPDHXFCSA-N 397.453 -0.227 30 20 GBED CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588124674 GGFKGQOAALQLME-HNNXBMFYSA-N 392.504 -0.851 30 20 GBED CNC(=O)NC[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCO1 599385062 XIKQFAYAAVKFJD-SNVBAGLBSA-N 383.386 -0.215 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)C1=O 608232231 IZYHOLNRHPDCFQ-PWSUYJOCSA-N 388.384 -0.993 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCC(=O)O)CC2)cc1 739130376 SVEWUXLFKHZLEG-UHFFFAOYSA-N 380.426 -0.545 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(CCOC)c2)c1=O 758052334 CYEUJBFSJOGQGO-UHFFFAOYSA-N 397.460 -0.832 30 20 GBED COc1cc2c(cc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)OCO2 758877510 CLGNLRQPXCVNMQ-UHFFFAOYSA-N 396.381 -0.866 30 20 GBED CC[C@H](NC(=O)C(=O)NCCNc1ncccc1C#N)C(=O)N1CCOCC1 787756815 RUFLHXMRNHEBSL-AWEZNQCLSA-N 388.428 -0.765 30 20 GBED N#Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1-c1nn[nH]n1 822830196 WRXRYHBDWBGAKS-UXOAXIEHSA-N 393.363 -0.161 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cc(C(=O)O)c(C)o2)c1=O 833368349 NASCYVFTJAUHER-UHFFFAOYSA-N 397.412 -0.052 30 20 GBED C=C(Br)CNC(=O)C(=O)NC[C@H](N1CCNCC1)C(F)(F)F 842273743 TWCSOYUWMWRPIP-VIFPVBQESA-N 387.200 -0.037 30 20 GBED N#C[C@@H](C(=O)Cn1nnnc1-c1ccsc1)C(=O)N1CCS(=O)(=O)CC1 842714614 AWGLUYKXOIKOLX-NSHDSACASA-N 394.438 -0.633 30 20 GBED C#C[C@@H](C)NS(=O)(=O)CCCCS(=O)(=O)N1CCCn2ncnc21 848968237 PKAXALOVCSRLNL-GFCCVEGCSA-N 375.476 -0.461 30 20 GBED CCOC(=O)N1CCN(S(=O)(=O)NCCNc2ccc(C#N)cn2)CC1 919942166 RTUFACNPXLOMQF-UHFFFAOYSA-N 382.446 -0.026 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCCN(C)C(=O)c2ccncc2)CC1 931875324 WJTJSDKJKZZYLG-UHFFFAOYSA-N 385.468 -0.173 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nnc(O)nc2O)C[C@H]1C 957364095 FSJHVFOIHSOFMW-KKOKHZNYSA-N 377.401 -0.159 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nnn(C)n1 960768297 AXJYCSNWJZIMBM-ZOBORPQBSA-N 376.417 -0.757 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1O 1023960378 IDTFRKGPKGCHCZ-FPCVCCKLSA-N 379.457 -0.332 30 20 GBED CO[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1042979808 SCFZWOGCCODEGX-XJFOESAGSA-N 393.831 -0.041 30 20 GBED C#CCNC(=O)CC(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1074555924 NRNWLWQWXIWTPE-JSEZXORMSA-N 389.452 -0.981 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)Nc2cc(C)nn2C)C[C@H]1O 1077822975 NJQCDOINLQQFLZ-BORJPKMPSA-N 391.472 -0.190 30 20 GBED COc1ccc(C#N)cc1CN1C[C@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1083566510 OFIUPNOHHZIZKU-UEILYKACSA-N 388.468 -0.053 30 20 GBED C=CCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@]1(O)CCOC1 1121631185 IJFHLEKSQLGZNH-SFHVURJKSA-N 392.460 -0.354 30 20 GBED CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1n1ccnn1 1128999210 SQOYCGYSWSEFDS-IVSAIRAKSA-N 389.460 -0.680 30 20 GBED C=C(Br)CNC(=O)C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O 1261151137 MQUFKZTWHGJNBG-OTYXRUKQSA-N 387.234 -0.152 30 20 GBED C[C@H]1CCCN(CCNC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1321571704 KAZLESJZSXNDRF-ZGTROFRASA-N 377.445 -0.523 30 20 GBED C=CCN1CCC(NC(=O)C(=O)NCC2CCN(S(C)(=O)=O)CC2)CC1 1324406317 NFKYIHSRLCBQOK-UHFFFAOYSA-N 386.518 -0.459 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C2CCN(c3ccc4nnnn4n3)CC2)C1=O 1325140061 QPSLFYQSLWZCRJ-CQSZACIVSA-N 384.444 -0.019 30 20 GBED CC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 1325408578 UKYOXOXJUFDVQP-UHFFFAOYSA-N 384.440 -0.271 30 20 GBED CCOC(=O)N1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1329717602 STPLEDKYQZQDMB-HNNXBMFYSA-N 377.445 -0.124 30 20 GBED CCN1C(=O)[C@H]2CN(C(=O)C(=O)NCc3ccc(OC)c(C#N)c3)CCN2C1=O 1331701758 KIVGYVIWASMNET-CQSZACIVSA-N 399.407 -0.322 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1 1332386123 YAPJKOYKXKUNQK-UHFFFAOYSA-N 376.438 -0.203 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@@H](C)CC(F)(F)F)CC1 1337513099 QHHRNADCPSCNOO-NSHDSACASA-N 395.411 -0.149 30 20 GBED COC(=O)CCN1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@H](C)C1 1546252109 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N#CCSCC(=O)N1CCC[C@](CO)(N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1592680410 MAVLBUZDJSEWKJ-HNNXBMFYSA-N 389.445 -0.899 30 20 GBED C#CCN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CCN(C(=O)CC(N)=O)CC1 1602716939 WEUVGIVGEKMKJH-UHFFFAOYSA-N 384.400 -0.863 30 20 GBED N[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1cccnc1 1783562856 RRXFHPXVONZDCS-DNVCBOLYSA-N 386.408 -0.611 30 20 GBED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786704560 XHOQWZZHTOLXCP-JONQDZQNSA-N 380.445 -0.579 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@H]2C1 1786893896 OWWNODCYIDYUTK-CWVYHPPDSA-N 397.472 -0.380 30 20 GBED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COC(=O)C(F)(F)F)[C@H]2C1 1788529855 OXQPZZHGAMOSJV-DCAQKATOSA-N 377.319 -0.015 30 20 GBED CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1790174572 GZXSPCQHDJVEMT-QCQGSNGOSA-N 396.444 -0.277 30 20 GBED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)NS(=O)(=O)CC)C1 1793309410 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NCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489480 INHGQMRWEWSWDE-IBGZPJMESA-N 379.457 -0.900 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n4ccnc4n3)C2)C1 1839810303 PVDVMRJUFMOPGW-IBGZPJMESA-N 383.408 -0.259 30 20 GBED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1)C(F)(F)F 1839892467 OSDKZDWNJKLYSM-CQSZACIVSA-N 389.334 -0.007 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1840159963 SHDVHDGMNXRNJX-DYVFJYSZSA-N 385.486 -0.617 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1840167407 ORCVMBNVHCMDCW-DNVCBOLYSA-N 377.441 -0.475 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](CC)NC(N)=O)C1 1843334779 CBUFQJBITIRDHB-FMFIFOJESA-N 377.445 -0.505 30 20 GBED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)CNC(N)=O)C3)c2c1 1847108917 LDUUMYHXEVRGHR-UHFFFAOYSA-N 381.396 -0.080 30 20 GBED N#CCCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O 11177695 GQPQRDMVGFCUIN-UHFFFAOYSA-N 380.426 -0.021 30 20 GBED CN(C)CCCN(CCC#N)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 69576439 UIHIOFSXGGVOBW-CABCVRRESA-N 384.502 -0.284 30 20 GBED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(C#N)o3)c2=O)cn1 255615548 BBUHQLBYNSFLSR-UHFFFAOYSA-N 394.416 -0.171 30 20 GBED CC/N=C(/NCCN1CCOC[C@@H]1C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 262521960 FGXAZZCIROWWJB-IRXDYDNUSA-N 381.521 -0.004 30 20 GBED COCCn1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)n1 268210681 BUSGTQSSEMNBLY-CYBMUJFWSA-N 398.427 -0.133 30 20 GBED C=CCNC(=O)CNC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 271986081 KOXXIGCAHPPYKZ-UHFFFAOYSA-N 389.460 -0.553 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1c(C#N)nnc3ccccc13)C2 276339327 RWFIYIIEZHSABH-UHFFFAOYSA-N 378.396 -0.032 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@@H](C)[C@H](C)N1CCOCC1)c1cc[nH]n1 277935423 IHOMVNUUAPGHFY-ZUINKLJDSA-N 381.433 -0.081 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](C/N=C(/O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)O1 329357530 GATIZILMTKOYNS-OAGGEKHMSA-N 395.504 -0.225 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCOC[C@H]2C#N)c1 330923691 DQIGYPJYKBKXLU-CYBMUJFWSA-N 382.442 -0.370 30 20 GBED Cc1cnn([C@@H]2CCN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)C2)c1 349493816 KSFYASJHFMPSKV-UONOGXRCSA-N 389.503 -0.010 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(CC(N)=O)CC1 370650403 CURIFFZEOYWAKG-ZDUSSCGKSA-N 393.469 -0.755 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)NC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 376350349 KMGMAXPGHIMJHO-JTQLQIEISA-N 375.451 -0.470 30 20 GBED CCC[C@H](O)[C@@H](CO)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 411773910 ALRLEOMEGXRROM-HIFRSBDPSA-N 389.387 0.460 30 20 GBED C[C@@H]1CCNC[C@@H]1NC(=O)C(=O)N1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 420110266 BRALDMWCVXFKAX-AWUHREGDSA-N 381.436 -0.027 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)C1=O 521212869 IQELJYACXDEBPH-CYBMUJFWSA-N 385.424 -0.200 30 20 GBED CCOCCS(=O)(=O)NCC(=O)N1CCN(c2cnccc2C#N)CC1 575456990 ABQKTWBLJCTCGM-UHFFFAOYSA-N 381.458 -0.442 30 20 GBED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)c1cccnc1C#N 577415797 JKXNZLLGMVVQPP-GFCCVEGCSA-N 387.487 -0.108 30 20 GBED CC[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)C(=O)OC 594622718 ZHGKLJDEBAAOND-NSHDSACASA-N 389.455 -0.034 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCCS(=O)(=O)N[C@H]2CCOC2)s1 594637773 YKDBAMORPKKGTI-JTQLQIEISA-N 394.500 0.245 30 20 GBED N#Cc1cccc(N2CCN(C(=O)NCCOCCS(N)(=O)=O)CC2)n1 596622697 HQYZBMNYOQLZGU-UHFFFAOYSA-N 382.446 -0.910 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2cnccc2C#N)CC1 596749329 QSGZEFFLGYGDCB-HIFRSBDPSA-N 379.442 -0.403 30 20 GBED CN(CCC#N)C(=O)CCN1CCN(CCC(=O)N(C)CCC#N)CC(O)C1 611302872 VAXXSHZBDXYDNT-UHFFFAOYSA-N 392.504 -0.511 30 20 GBED COC(=O)CN(CC(=O)O)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 737612953 LBGKRFNDNMNOJJ-UHFFFAOYSA-N 379.373 -0.937 30 20 GBED C=C(Br)CN1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 749322637 BOXIAPCLBGJZBA-GFCCVEGCSA-N 380.308 -0.184 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cncc(N3CCOCC3)c2)CC1 756973291 CSSNBYQVFZJGIF-UHFFFAOYSA-N 385.468 -0.185 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CCN1C1CC1 760900078 BEIPMSJIAORISN-GFCCVEGCSA-N 381.396 -0.201 30 20 GBED C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccnn2C)c1=O 794646169 VMZFGUBGXBJXFI-ZDUSSCGKSA-N 382.445 -0.225 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c1 808158508 YREHSNKZPGYBRW-JKSUJKDBSA-N 377.466 -0.121 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2sccc2C(=O)O)CC1 825687843 ZCMUFYCMGAPOHF-UHFFFAOYSA-N 380.426 -0.169 30 20 GBED C#C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc(N(C)C)n[nH]2)cc1 848941131 GKSMLMSTTQCGQH-JTQLQIEISA-N 398.470 -0.029 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2F)CC1 872514894 CMYRNMGGWMNTBA-UHFFFAOYSA-N 375.447 -0.092 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc3nn[nH]c3n2)C1 966975218 SYZIJWLGWFNDOF-PUPMMZHASA-N 386.412 -0.364 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccccc2C(N)=O)C[C@@H]1O 970711535 HFHSLDJTQQFDHG-NCOADZHNSA-N 387.436 -0.393 30 20 GBED N#Cc1nc(=N[C@@H]2CCO[C@H]2C2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)cc[nH]1 1040471724 ISZZKJITDCDUPB-OEUWWYETSA-N 384.440 -0.300 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@@H]1CCNC1=O 1110658074 LJLPULBBQPKDRT-JJXSEGSLSA-N 375.473 -0.004 30 20 GBED CC[C@H](C#N)Oc1cccc(CNC(=O)C(=O)NCC(=O)N2CCOCC2)c1 1117349891 PMSMFPXYPOORLL-OAHLLOKOSA-N 388.424 -0.041 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@H](C)S(=O)(=O)[C@@H](CC)C2)C1=O 1117902760 TVXWMFPMUZNISU-IHRRRGAJSA-N 385.486 -0.344 30 20 GBED Cc1ccc(C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NCC#N 1320738975 XKOYSAUEHWETTH-GFCCVEGCSA-N 385.467 -0.039 30 20 GBED N#CCn1cc(NC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)cn1 1322801428 PFFBPEIHMYRMNA-MRXNPFEDSA-N 378.458 -0.331 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H]3COC(C)(C)O3)CC2)c1C#N 1323243576 DRQBYMTZPOTCGQ-CYBMUJFWSA-N 390.444 -0.484 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](CN)C1 1329449468 ZRCOCMDLJWAELW-QWRGUYRKSA-N 385.408 -0.311 30 20 GBED N#CCCN1CCN(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 1331110571 NSJULCUAJQNMNI-DLBZAZTESA-N 398.529 -0.288 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC(OCC(F)F)C3)CC2)c1C#N 1335667488 DUOSRUVAGPOCRJ-UHFFFAOYSA-N 396.398 -0.259 30 20 GBED NCCC(=O)NC[C@@H]1CCCCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 1349487319 MJPJPVYSAUDZOT-FKEVTRRJSA-N 377.445 -0.251 30 20 GBED C=CCn1c([C@H]2CC(=O)N(C)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1350529443 CHZRGNZHSJOLNJ-STQMWFEESA-N 382.490 -0.120 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573285155 DQUNCEQJZAKKPV-HNNXBMFYSA-N 382.428 -0.425 30 20 GBED C=CCNC(=O)[C@H](C)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575104659 URTBFMJCGGJCFA-YXWQFLTLSA-N 375.477 -0.303 30 20 GBED C#C[C@H]1COCCN1C(=O)C(=O)N(C)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 1588331234 PSUZLTJYWFOCGE-GJZGRUSLSA-N 384.396 -0.781 30 20 GBED C#CCO[C@H](C)C(=O)NCC1(O)CN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 1588356568 DPBUXJHBJVQKJJ-GFCCVEGCSA-N 388.403 -0.293 30 20 GBED C=CCn1cc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[nH]n2)nn1 1588712714 CFHZPFHLWPKECA-UHFFFAOYSA-N 399.419 -0.149 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@H]2COCCN2c2cncc(-c3nn[nH]n3)n2)c1 1592686714 QGUGIEOPTWRABB-NSHDSACASA-N 380.372 -0.508 30 20 GBED C=C[C@@H](C(=O)O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1609264376 MXNBGFOQAKGZMQ-ZDUSSCGKSA-N 381.410 -0.037 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1778778764 BLUYANHAGQPCIF-YVEFUNNKSA-N 382.417 -0.569 30 20 GBED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)N1C[C@H]2C[C@H]2C1 1788516666 OLUUGUVONYAVDC-DZTUFKMZSA-N 389.452 -0.606 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cnnn3)[C@H]2C1 1791683336 WTQVTMIMSMVCPL-QRJUGERDSA-N 390.444 -0.748 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1=O 1795448659 FBNQUBQFQOSKDX-ZXFNITATSA-N 379.457 -0.211 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc[nH]c2nccc1-2 1796186344 DRQNRAQLDLBNAJ-DPIQGUFMSA-N 382.376 -0.194 30 20 GBED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830048848 MBXZBBAPIPTYBL-BEFAXECRSA-N 396.488 -0.074 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCOC)C2)C1 1831386613 BAKOOKKXOUBMQU-APWZRJJASA-N 382.457 -0.092 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2 1839665708 SXSACGKRFCAVFZ-GOSISDBHSA-N 376.413 -0.724 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1 1840167523 WJTZLMRARDRTKA-DNVCBOLYSA-N 395.456 -0.691 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2 1840183331 YNVIDWLXRPIAOP-RTBURBONSA-N 396.440 -0.528 30 20 GBED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 50168949 CTIZTQJGWMMONF-UHFFFAOYSA-N 385.424 -0.072 30 20 GBED N#Cc1cccc(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 118861962 GGJXCTOKBQPSDB-QGZVFWFLSA-N 376.482 -0.021 30 20 GBED CCC(=O)N1CC[C@@H](N/C(=N\C)NCCS(=O)(=O)N2CCSCC2)C1 261993736 RXUSQYSTFAVUNC-CYBMUJFWSA-N 391.563 -0.459 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@H]2C(=O)NCC(C)C)C1=O 264163085 IOMJAXBXSAABNA-NSHDSACASA-N 382.442 -0.363 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)C1=O 264172035 JXSNBEFWFLAGKQ-SNVBAGLBSA-N 382.442 -0.221 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCN1CCN(C)CC1 268738214 QSVYSBXDSVPCEE-OAHLLOKOSA-N 393.513 -0.021 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 268738319 QUWFDJHHKBAOCR-WCQYABFASA-N 385.467 -0.129 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cn1C 268875289 IPKRTQBGYDJUTP-KRWDZBQOSA-N 394.501 -0.157 30 20 GBED CN1CN(S(=O)(=O)CCCS(=O)(=O)N[C@H](C#N)C(C)(C)C)CC1=O 349453103 DWEIJBPJZLJHIA-LLVKDONJSA-N 380.492 -0.705 30 20 GBED C[C@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1ccc(C#N)cn1 349460119 IEGLAHBSLWABSF-AAEUAGOBSA-N 388.471 -0.130 30 20 GBED Cc1ccc(C(=O)N[C@H]2CCC(=O)N(C)C2=O)cc1S(=O)(=O)NCC#N 425068596 BWKYTMGNCKDSAT-LBPRGKRZSA-N 378.410 -0.326 30 20 GBED COc1ccnc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1 425887465 BFWVDWOBLAJGJY-UHFFFAOYSA-N 381.396 -0.283 30 20 GBED Cn1cc(S(=O)(=O)NCCN2CCN(c3cc(C#N)ccn3)CC2)cn1 441178869 CXBKTMZNVLQDNY-UHFFFAOYSA-N 375.458 -0.213 30 20 GBED C[C@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)S(N)(=O)=O 442359123 JUJAIJJTLGDLMA-SECBINFHSA-N 394.388 -0.385 30 20 GBED Cn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2)c1=O 480191197 XWRLRXWXMFNDOH-UHFFFAOYSA-N 398.488 -0.602 30 20 GBED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccnn2C)c1=O 502008756 YVZILWCBESDDNR-GFCCVEGCSA-N 389.481 -0.293 30 20 GBED CCN1CCN(C(=O)CC2CCN(C(=O)NCC(=O)NCC#N)CC2)CC1 511907926 DVNAHCGQNDFOTO-UHFFFAOYSA-N 378.477 -0.398 30 20 GBED Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCC(=O)NCC#N)C1 557784939 RQMIMNUACIDILJ-LBPRGKRZSA-N 383.430 -0.552 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1 565432915 NNRYMKIOCRFTEX-UHFFFAOYSA-N 399.454 -0.861 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@]1(O)CN2CCC1CC2 571775035 PAJNUTDXVBUMQB-ACJLOTCBSA-N 392.481 -0.202 30 20 GBED COC(=O)[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccn(C)n1 576706556 PZBXPXSARWXOAS-OAHLLOKOSA-N 391.409 -0.399 30 20 GBED COC[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)OC 579978859 HCPGHWWWQFEOJC-LLVKDONJSA-N 377.444 -0.572 30 20 GBED N#CC[C@]1(O)CCN(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C1 592148321 UBYKTSPPVLAGBU-ZOBUZTSGSA-N 385.486 -0.468 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2snc(C)c2C#N)CC1 596746959 CCSRPUZVQPTNLR-CHWSQXEVSA-N 399.498 -0.033 30 20 GBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)CC1 728572525 IMONYCYXNGILFC-HNNXBMFYSA-N 383.452 -0.273 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)COCCNC(=O)OC(C)(C)C)CC1 733149349 GHXJAAVNUGMDHK-UHFFFAOYSA-N 396.488 -0.189 30 20 GBED COCCCNC(=O)[C@@H](C#N)C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744024311 RAIPBMWWAGQHLL-INMIOYRUSA-N 377.397 -0.600 30 20 GBED CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 757575979 JEPXDUPDHFOUOH-UONOGXRCSA-N 395.460 -0.106 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nnnn1CC1CC1 770277202 VBSMKEUFASMCBH-UHFFFAOYSA-N 389.441 -0.172 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 810270445 XJHPAKXXOSRRRS-GJZGRUSLSA-N 378.454 -0.184 30 20 GBED CCN1CCN(C(=O)CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 820281466 CNPPSQZZAXPSQL-UHFFFAOYSA-N 393.469 -0.995 30 20 GBED COCCn1c(=C(C#N)C#N)sc(=Cc2cc(-c3nn[nH]n3)cs2)c1=O 821694640 WAAYTNJBYQAWLF-UHFFFAOYSA-N 385.434 -0.176 30 20 GBED CC(C)(C)OC(=O)N1CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)[C@H](C#N)C1 829694586 RGUSDAKMLFRAIG-ZIAGYGMSSA-N 379.417 -0.179 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc(C(F)(F)F)nc2)CC1 831568257 CGKPVTUQKDYIMW-UHFFFAOYSA-N 377.348 -0.279 30 20 GBED COC(=O)C1(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)CC1 848696922 WCKYIHZCAJSPJO-UHFFFAOYSA-N 380.378 -0.098 30 20 GBED Cn1nccc1CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 848941873 MHMNUPHNCIRMAW-UHFFFAOYSA-N 383.455 -0.257 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@@H]1O 964171923 WTQCONMROKTPMJ-XRGAULLZSA-N 392.456 -0.603 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 970104696 KZZGODBHUHPETA-RZFFKMDDSA-N 376.413 -0.604 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CNC(=O)c2cnc(O)n(C)c2=O)C1 994403223 ZDLNIERRYLGJLJ-BHPKHCPMSA-N 390.440 -0.099 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnn2CCOC)C[C@H]1O 1023960332 FPXUOBCQFNMPBM-SRABZTEZSA-N 392.456 -0.188 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3n(n2)CCO3)C1 1024238828 JHYBBFNZMAIEII-NGFQHRJXSA-N 376.413 -0.442 30 20 GBED Cn1cc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2Nc2cnc(C#N)cn2)cn1 1047674355 BGSYJGPGNMNDEI-CBBWQLFWSA-N 380.412 -0.390 30 20 GBED CC(=O)N1CCC(NC(=O)CN2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@H](C)C#N)CC1 1109079891 FDHJTNOYSMUUCV-VZEFYGNVSA-N 375.473 -0.005 30 20 GBED CS(=O)(=O)CCNN=Cc1c(N2CCOCC2)nc2ccccn2c1=O 1116529102 KWTZTEIJKPLPKK-UHFFFAOYSA-N 379.442 -0.501 30 20 GBED CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCCN(c3ccccc3C#N)CC2)C1 1117318737 ZRSPNMVYNDKYEZ-SFHVURJKSA-N 398.511 -0.041 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(CC(F)(F)F)[C@H](C)C1 1117587771 ZVJXMOWEWRRZAJ-LLVKDONJSA-N 385.408 -0.202 30 20 GBED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)CC(=O)N(CCC#N)CCC#N 1253279514 GYAMOBOAJVECGP-AWEZNQCLSA-N 383.474 -0.732 30 20 GBED C#CC1CCN(C(=O)C(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)CC1 1261485395 ZFVSMDHXPPQDPY-INIZCTEOSA-N 392.500 -0.456 30 20 GBED C#CCN1CCC[C@@H](NC(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)C1 1262041192 PFMXNQHOZMGRJE-ZWKOTPCHSA-N 393.532 -0.048 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CCO1 1322118344 UVOICSIVUMZGBO-QGZVFWFLSA-N 389.431 -0.185 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)CCO1 1323303571 BYNHHOGCRHTBGT-ROUUACIJSA-N 386.452 -0.203 30 20 GBED CS(=O)(=O)CCNC(=O)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1323424670 NGTGMJJNRTWOAG-UHFFFAOYSA-N 394.453 -0.080 30 20 GBED C=CCN(C(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1)C(C)C 1325135033 VSSFGGKKLYYYKV-UHFFFAOYSA-N 375.491 -0.080 30 20 GBED C[C@H]1[C@@H](C)N(C(=O)C(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC[S@]1=O 1335886474 DVLWIDMOEYJJAC-MWSMCUOVSA-N 389.481 -0.030 30 20 GBED C=C(C)Cn1c(C2=NNC(=O)C2)nnc1N1CCN(CCOCCOC)CC1 1342254839 RSWFARZYDGNKKJ-UHFFFAOYSA-N 391.476 -0.137 30 20 GBED N#C[C@H](C(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)N1CCS(=O)(=O)CC1 1346026271 JLTCPUPPQAHYCB-LLVKDONJSA-N 377.378 -0.403 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)CCO1 1475612927 NLPYMHMNDNHIJP-GFCCVEGCSA-N 386.455 -0.839 30 20 GBED C=C(C)Cn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N(C)C[C@H]1COCCO1 1524318691 FZOFKLCSHUJNLL-ZDUSSCGKSA-N 390.444 -0.230 30 20 GBED CC(C)NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1541696908 NSSHDKLSGJKXBO-ZDUSSCGKSA-N 375.433 -0.233 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN([C@@H](C)C(=O)NCc3cnn[nH]3)C[C@H]2OC)cn1 1575032363 AQGOYCMTXDWGDN-JCURWCKSSA-N 397.439 -0.685 30 20 GBED C=C[C@H](COC)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588525158 CKDKQUVTNIEYBO-ZYHUDNBSSA-N 380.430 -0.149 30 20 GBED CC#CCNCCNC(=O)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588751207 LBMPWIZBKWJTFT-ZDUSSCGKSA-N 384.444 -0.224 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N2Cc3cccc(-c4nn[nH]n4)c3C2)CC1 1592677756 RUXRRFPXSVUYNP-UHFFFAOYSA-N 380.412 -0.187 30 20 GBED CN1CCN(C(=O)CCNC(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)CC1 1604862521 KNMKVKIRGYRESK-MRXNPFEDSA-N 396.455 -0.171 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778846519 LCAJJZGBLHKXFU-FZKQIMNGSA-N 392.460 -0.260 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1778980141 RCSYAKDZUWUKHB-XLPNERPQSA-N 381.473 -0.888 30 20 GBED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)n1ccnn1 1781552059 GXRSHDQDAFPEEH-PMUMKWKESA-N 389.412 -0.559 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC)NC(N)=O)[C@H]2C1 1787405392 NBAIEBSODCOEQE-YXMSTPNBSA-N 394.472 -0.549 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccn(C(F)F)n3)[C@H]2C1 1788941473 MAOOKBMGBWIXMP-GVXVVHGQSA-N 396.350 -0.041 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2 1795600024 PKNJYDLDOZNFPU-MIFYACCESA-N 389.460 -0.850 30 20 GBED CCc1noc(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1798177672 KYGHXOBXEZJSCV-DPIQGUFMSA-N 375.381 -0.163 30 20 GBED CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808780282 XDEIEOKDIFDNQI-VCBZYWHSSA-N 398.419 -0.204 30 20 GBED C#CC(=O)N1CC[C@@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@H]1c1cccnc1 1809677143 FRUNGQPLLNNCLV-GHTZIAJQSA-N 397.479 -0.115 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1831425330 CDRJWPGEJRTYLS-UGSOOPFHSA-N 394.428 -0.224 30 20 GBED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(N)=O)CC2)CC1 1833476252 IMUHSWMNJWQBLG-CQSZACIVSA-N 395.504 -0.183 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)CC1 1835344806 WABPCTRGIRPQCH-KRWDZBQOSA-N 375.385 -0.511 30 20 GBED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2 1835426567 DMDNAISJOMDNOG-IBGZPJMESA-N 397.472 -0.486 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)C(O)O)CC3)CC2)c1 1836631239 XOGUCYXQOGKOTD-UHFFFAOYSA-N 376.413 -0.191 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)CC)CCO2)C1 1839830367 IIOWGYYURFMIDD-DNVCBOLYSA-N 382.457 -0.005 30 20 GBED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)n1cncn1 1840415138 SDBOHJVCQNIICQ-RDTXWAMCSA-N 390.444 -0.155 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840568995 ZVMPGBSRKFSZAA-DNVCBOLYSA-N 381.473 -0.405 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1841054894 LMOLCCSNBQRSFN-PLNGDYQASA-N 388.384 -0.007 30 20 GBED CS(=O)(=O)CC(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1842778901 BZCKVYUXVNREKH-GFHWABCWSA-N 387.458 -0.237 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCCN2C(=O)CCC2=O)c1 264271461 BDUUZBLKEDKGSX-UHFFFAOYSA-N 377.422 -0.133 30 20 GBED CCn1c(=O)/c(=C\c2ccnn2C)s/c1=C(/C#N)C(=O)N1CCSCC1 264843903 MTKWSAANZZHXFT-NNVCZZOXSA-N 389.506 -0.258 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 281868133 UMPSTSJXWKWZQY-BBRMVZONSA-N 392.460 -0.361 30 20 GBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)/C(O)=N/C[C@@H]1CN(C)CCN1C 329605709 MFEGALPKAPFWME-TZMCWYRMSA-N 386.522 -0.094 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCC[C@@H]3C#N)CC2)CC1 332916550 XPUCVNYLTHSMSE-CABCVRRESA-N 384.506 -0.502 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)[C@@H](C)[C@H]1C 349461636 KKRAWRUMYRLRDV-UONOGXRCSA-N 380.536 -0.094 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCO[C@@H](CN)C3)CC2)c(F)c1 423218227 UEUIWTFUBUSYSX-AWEZNQCLSA-N 375.404 -0.468 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCCN2CCCC2=O)CCN1Cc1ccccc1 514871432 VJANKRXFXHEQFY-KRWDZBQOSA-N 383.452 -0.038 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C(=O)NC)Oc3ccccc32)C1=O 523386536 BEHROPSKUMXHHO-CYBMUJFWSA-N 386.364 -0.497 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)CCO1 548758723 GLHWNBSCKHTJSS-KRWDZBQOSA-N 379.486 -0.133 30 20 GBED CN(C)CCN(CCN(C)C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 584751511 XSXIZULFUULAJF-UHFFFAOYSA-N 381.502 -0.212 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCN4CCC[C@@H]4C3)CC2)c1C#N 585725509 SFUKHMHDWKJWHD-HZPDHXFCSA-N 399.499 -0.008 30 20 GBED COCCc1ccc(OC[C@@H](O)CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1 594797453 WMHQMFFJQJVLJL-RDJZCZTQSA-N 399.469 -0.326 30 20 GBED CN(C)S(=O)(=O)NCCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 596613949 JANHEMQXOWTRJA-UHFFFAOYSA-N 398.464 -0.075 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 599938403 OOCHJJFYXCWJOA-NUEKZKHPSA-N 392.481 -0.107 30 20 GBED COC(=O)CCN1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)[C@@H](C)C1 601476140 GTZFIVGVOFLVFV-HNNXBMFYSA-N 379.461 -0.860 30 20 GBED C=CCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 726201554 YJCRNSHABMLPOQ-UHFFFAOYSA-N 384.458 -0.025 30 20 GBED NC(=O)c1cc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)on1 759624063 BEPQKBGGUHYCFM-UHFFFAOYSA-N 377.382 -0.482 30 20 GBED CS(=O)(=O)N1CCN(CCNC(=O)Cc2cccc(OCC#N)c2)CC1 760396644 NPUIWPGFGJSKGT-UHFFFAOYSA-N 380.470 -0.175 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCC(=O)N3C)CC2)o1 786176408 DLLKUHTZTRDTIM-CYBMUJFWSA-N 375.385 -0.333 30 20 GBED CN(C(=O)COC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C(C)(C)C#N 789115211 SFKLXGUPYZWHCY-KRWDZBQOSA-N 394.428 -0.094 30 20 GBED C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)nn1 823794552 YFWYORWXASWYMB-UHFFFAOYSA-N 385.494 -0.122 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CSCN2C(=O)CCC)CC1 831561241 RIFDRMJUFUVOLM-ZDUSSCGKSA-N 388.515 -0.700 30 20 GBED Cc1ccc(S(=O)(=O)NN=Cc2cn(C)c(=O)n(C)c2=O)cc1[N+](=O)[O-] 839384438 YCBLZNAJPUDATP-UHFFFAOYSA-N 381.370 -0.387 30 20 GBED Cc1nc(=NS(=O)(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n(C)[nH]1 848941170 HKCGQICNCYNKDI-UHFFFAOYSA-N 384.443 -0.462 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ncccn1)[C@H]1CCCO1 848963263 OCMKHFIHLKIZEZ-CHWSQXEVSA-N 388.471 -0.291 30 20 GBED C[C@H](NC(=O)Cn1cc(C#N)c(I)n1)C(=O)N(C)C 849923383 VHMTXQQJHLREBH-ZETCQYMHSA-N 375.170 -0.048 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cn(CC)nn2)C[C@@H]1O 964504551 XJCHVHAJYQOKIV-IVSAIRAKSA-N 377.445 -0.490 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc3[nH]c(O)nc3c2)C[C@@H]1O 970712031 QSPQZFFFZNLBPB-ZZVYKPCYSA-N 387.396 -0.444 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1n1ccnn1 990963776 UQLOIVANMWHHTI-KBXIAJHMSA-N 385.428 -0.297 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C2CC(=O)NC(=O)C2)cn1 998368717 XWQGOZWUBHPHRC-PMPSAXMXSA-N 380.404 -0.023 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1O 1023958796 VGQNAWFLZYFFQF-FPCVCCKLSA-N 378.429 -0.532 30 20 GBED N#Cc1ccc(CN[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)s1 1070275452 NHDLOZAYCGZWCW-BARDWOONSA-N 385.453 -0.126 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1C[C@H](OC)CN1C(C)=O 1109562804 BNGUZLVLROIUTI-JSRQGNBESA-N 376.457 -0.907 30 20 GBED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N(C)CC(C)(C)C#N)cn1 1117755034 QRNJVOSCUSJMNK-UHFFFAOYSA-N 377.449 -0.492 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 1261123971 SNLUUDMEZWPIGH-AWEZNQCLSA-N 385.486 -0.389 30 20 GBED Cc1cc(NC(=O)C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)nn1CCC#N 1261241083 WXMRBLIFRYCXED-LBPRGKRZSA-N 382.446 -0.464 30 20 GBED C[C@@H]1CC(=NC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)NO1 1295952583 JKEXLWHXDWFSDY-SECBINFHSA-N 375.428 -0.393 30 20 GBED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCOC2)CCO1 1303003269 DJVDNACZTBXNRL-XJKCOSOUSA-N 397.457 -0.940 30 20 GBED C=CCN(C(=O)CCn1cc(S(N)(=O)=O)cn1)[C@@H]1CCS(=O)(=O)C1 1318164269 HUZFIARRELVJPW-LLVKDONJSA-N 376.460 -0.878 30 20 GBED C=Cn1cc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)cn1 1320835086 DGJQRDKYRVLMIJ-UHFFFAOYSA-N 375.435 -0.722 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCn4ncnc4C3)CC2)nc1 1322490988 NFTYTCKGZIKEHX-UHFFFAOYSA-N 380.412 -0.328 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1)[C@H]1CCCO1 1323820987 YXJTUAGKEHZLQB-IAGOWNOFSA-N 385.420 -0.026 30 20 GBED CCN(CCCNC(=O)C(=O)NCc1ccc(OCC#N)cc1)S(C)(=O)=O 1324325097 LMPRJDYEZDKTLW-UHFFFAOYSA-N 396.469 -0.007 30 20 GBED Cn1ncc(Br)c1CNC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1329470067 OYDROKGUNLHVBC-LLVKDONJSA-N 395.261 -0.002 30 20 GBED CN1C(=O)CC[C@@H](NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1=O 1349048185 PVUIJFYXBAKSCN-MRXNPFEDSA-N 397.435 -0.534 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 1349209568 FUYZDNWEXZVQLV-LJQANCHMSA-N 382.424 -0.085 30 20 GBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)c(C#N)cn1 1571140456 RCOQBGNVCXLFSV-HIFRSBDPSA-N 379.384 -0.251 30 20 GBED C#CCN(CC#C)c1nnc([C@H]2COCCN2)n1CCS(=O)(=O)CC1CC1 1574621814 CTHOXDVUEAITDA-MRXNPFEDSA-N 391.497 -0.163 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](N(CCO)C(=O)CCCc2cnn[nH]2)C1 1575012657 FJVBOKJTZBZLGM-RDJZCZTQSA-N 391.472 -0.022 30 20 GBED C#CCOCCC(=O)NCC1[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]12 1588361897 UFWPJNAYMBWWRR-STQMWFEESA-N 383.412 -0.331 30 20 GBED C=CCOCCCC(=O)NC[C@H]1CN(c2cncc(-c3nn[nH]n3)n2)CCO1 1588682218 KEWCQEIFNCXQAU-ZDUSSCGKSA-N 388.432 -0.039 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@H]1CC(=O)O 1593334379 PWCCUMUBCILPCE-WCQYABFASA-N 381.410 -0.073 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2cc(-c3nn[nH]n3)nc(CC)n2)C[C@@H]1O 1602792106 DQPBODONZIRKCA-PEBVRCNWSA-N 388.432 -0.788 30 20 GBED CN1CCN(C(=O)c2ccc(CNc3[nH]c(=O)n(C)c(=O)c3C#N)cc2)CC1 1650627964 WWOZRHBGTJKEBP-UHFFFAOYSA-N 382.424 -0.055 30 20 GBED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3C[C@H](O)CN3)C2)CCC1 1780604086 VPJAGGHLKUGTGN-ZFCANOHDSA-N 390.484 -0.083 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)n3cnnn3)CCO2)C1 1781399072 AYLKETVCERRTOK-VBQJREDUSA-N 393.448 -0.135 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@H]2C1 1786677033 XCWIWURUDAKYFA-QMHWVQJVSA-N 393.484 -0.182 30 20 GBED CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786704385 NTGOKKWIEOKVLQ-QPSCCSFWSA-N 379.461 -0.023 30 20 GBED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)N4CCOCC4)[C@H]3C2)C1 1788644816 FECHZKIBSMAZDI-JWWIWJDOSA-N 393.484 -0.417 30 20 GBED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789766308 KPYZXWIPYNWNIN-ATIWLJMLSA-N 377.485 -0.118 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1790789499 AQBCCXOAFKGTPC-AJNGGQMLSA-N 395.456 -0.515 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCOC1)C2 1792491346 NRKCSNMQPVTIMX-PFEUXECLSA-N 391.468 -0.139 30 20 GBED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795577739 DGHTXJCGDNFHHJ-NEBZKDRISA-N 383.518 -0.630 30 20 GBED CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1797756964 VDHWFKKKPFCRLN-DABQJJPHSA-N 379.486 -0.636 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C2 1798393729 NGGTYFBDKDOVKJ-AIEDFZFUSA-N 380.489 -0.210 30 20 GBED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)[C@@H]1C[C@H](O)CN1 1799140486 GJGUMBQXWSHGSH-ZKJAZCHJSA-N 390.440 -0.989 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806823336 CADMFNQSUWYYPJ-IYOUNJFTSA-N 384.392 -0.546 30 20 GBED N#CCCC(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807045642 XLZRSSKMFKRXNW-RVKKMQEKSA-N 386.456 -0.016 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825666462 CTGJHGCIUJXEDT-ZJUUUORDSA-N 390.421 -0.166 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1831388416 SHBUKVBZIZRTJG-GKSFYBEXSA-N 380.441 -0.748 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831726916 DMFCKHONYGAPSA-SFHVURJKSA-N 389.412 -0.198 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)OC(=O)NC(C)C)CCO2 1839074549 QUGWGWKCAIIHNJ-LJQANCHMSA-N 395.456 -0.011 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1839845134 FFRSFAJFGCQJMT-MPGHIAIKSA-N 392.460 -0.097 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)O)CCO2 1840026683 RCCFQUQUJPBQSU-KDOFPFPSSA-N 384.429 -0.667 30 20 GBED NC(=O)CC[C@H](N)C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1842880329 CPYAYDZUUCKTAX-HNNXBMFYSA-N 390.484 -0.519 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 17815980 LRKUETYTXAPBAX-UHFFFAOYSA-N 387.483 -0.132 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCN2CCCS2(=O)=O)c1 147766796 VMMZKMFTTKZECZ-UHFFFAOYSA-N 385.467 -0.637 30 20 GBED CN(C)C(=O)Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nn1 268042932 YRJMXDJJSMWHQY-LBPRGKRZSA-N 391.432 -0.049 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCNC(=O)[C@H]2C)cc1 276033159 OPVUQTYTQUUXLS-GFCCVEGCSA-N 394.453 -0.222 30 20 GBED C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 297608222 DJHZHZWXQFDQKE-MJGOQNOKSA-N 399.495 -0.252 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)OC)C(=O)OC)c1 298151591 WNBSCTYKMMRODI-CYBMUJFWSA-N 382.394 -0.567 30 20 GBED Cc1cnn([C@H]2CCN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)C2)c1 349489729 GBUJEMXLLMGFKQ-AWEZNQCLSA-N 389.503 -0.057 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)c2cccnc21 349504722 REHYPVQWGCECPJ-UHFFFAOYSA-N 399.498 -0.157 30 20 GBED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN2C(=O)C(=O)NC[C@@H]2C1 370619982 IWNDYPOMTWEGKB-HUUCEWRRSA-N 399.451 -0.027 30 20 GBED N#Cc1ccc(OCCNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)cc1 419458833 BWXUWPQQZBRKKB-INIZCTEOSA-N 399.451 -0.524 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCOC[C@H]1C[C@@H](C)O 442505467 HFOXZBLIIMXRQB-UKRRQHHQSA-N 398.423 0.384 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)NC[C@H](O)COc2ccc(F)cc2)n1 444504615 CVGUIFLYHAXVEL-ZDUSSCGKSA-N 375.360 0.430 30 20 GBED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCN(CCO)CC2)n1 543529302 KAZWORFHWWEIME-UHFFFAOYSA-N 386.387 -0.042 30 20 GBED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)n1 575997736 WFBNSKQIEMBFIR-BXUZGUMPSA-N 379.380 -0.186 30 20 GBED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CNC(CO)CO)CC1 579488968 DBDUDGVBHMWKFJ-UHFFFAOYSA-N 375.385 -0.602 30 20 GBED C=C(C)CN1CCC(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 592295657 KBNMTIAQOHCXHJ-UHFFFAOYSA-N 387.550 -0.097 30 20 GBED COCCNC(=O)[C@H](C#N)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 744027397 SRBQBRUNTQNPML-DGCLKSJQSA-N 392.437 -0.025 30 20 GBED CNS(=O)(=O)[C@H]1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 749788998 BWMNXQVAUNODLO-WMLDXEAASA-N 391.453 -0.094 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 754973387 KXTFIDCUAJPFOO-UHFFFAOYSA-N 379.442 -0.621 30 20 GBED CCOC(=O)[C@@](C)(O)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 768728706 FIQHNXZLAMSEOS-INIZCTEOSA-N 383.426 -0.455 30 20 GBED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(N)=O)cc1 782679904 DXNWATNPJOFKGY-ZHZULCJRSA-N 395.441 -0.571 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)n3cnc(C#N)n3)CC2)o1 798746119 OQANCZAIBJCFLE-NSHDSACASA-N 398.383 -0.229 30 20 GBED Cc1nnc(S)n1CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 810433286 CJGYVAINCJHMIQ-UHFFFAOYSA-N 380.455 -0.158 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)C(=O)N2CCN(c3ccccc3)CC2)CC1 812499305 CYUBUEUDCYMJMP-UHFFFAOYSA-N 397.479 -0.771 30 20 GBED N#Cc1c(-c2nn[nH]n2)ncn1Cn1nnc2c(cnn2-c2ccccc2)c1=O 826383194 OLZXCBZDVGBTOZ-UHFFFAOYSA-N 386.339 -0.269 30 20 GBED CCOC(=O)CON=C(C(=O)N[C@H]1CCc2c(nnn2C)C1)c1cc[nH]n1 848312554 NQNJNGOKUQVLES-JTQLQIEISA-N 375.389 -0.504 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](C)C1 940397902 OTWOXLHRIAEFPS-SYQHCUMBSA-N 392.456 -0.129 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1O 1023939449 DLBPZDCSIWYXOV-MYPMTAMASA-N 376.413 -0.604 30 20 GBED C#CCOCCC(=O)NC[C@]1(O)CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1039719081 NILWPFOEZWWYSC-MFWIUYSUSA-N 380.441 -0.843 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@@H]1n1ccnn1 1069929311 AWIRAZHKQZCRRE-WCVJEAGWSA-N 386.460 -0.071 30 20 GBED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O 1288525217 LBFROAZHCUJOGD-NEPJUHHUSA-N 389.503 -0.037 30 20 GBED CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N3CCO[C@H](C#N)C3)C2)nc1 1324236863 TWYBYKYNCXLZRD-CQSZACIVSA-N 387.396 -0.686 30 20 GBED N#CCN1CCC(NC(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)CC1 1327806214 SPGRIJHMUMUHPU-UHFFFAOYSA-N 383.408 -0.497 30 20 GBED N#Cc1c[nH]c(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 1330808555 KPTVWIOTLIOWLN-CYBMUJFWSA-N 380.426 -0.626 30 20 GBED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1343049593 IEKWOFZUBBXJQO-MCIONIFRSA-N 399.455 -0.584 30 20 GBED C=CCn1cnnc1S(=O)(=O)[C@@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 1344744121 MALZNSQFTHLXIO-NWDGAFQWSA-N 390.487 -0.338 30 20 GBED CN1CCN(c2ncccc2CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1349191767 BONCUKIBOSWRJT-LJQANCHMSA-N 386.456 -0.673 30 20 GBED COCCO[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1352145745 GBSXBVRGFTWPHN-QGZVFWFLSA-N 387.440 -0.134 30 20 GBED C#CCN1CCC[C@H]1c1nnc(N(C)CC(=O)N2CCOCC2)n1CCOC 1355545300 CKPWFZPEJUPNEY-INIZCTEOSA-N 390.488 -0.010 30 20 GBED C#CCN1CCCC[C@H]1c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC 1356502892 WPYNJSWNOZEJBB-CABCVRRESA-N 385.472 -0.395 30 20 GBED N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@@]2(O)CCOC2)cc1 1555990122 DWFSXRNLSBCJGR-IBGZPJMESA-N 398.423 -0.184 30 20 GBED C[C@H](C#N)C(=O)N1CC2(CC[C@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)O2)C1 1573562306 SEHLXGZQCMVGJE-ZYHUDNBSSA-N 384.400 -0.156 30 20 GBED N#CCNC(=O)CN1CC[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC[C@H]21 1581857917 KETSZIMWQQGCDA-SMDDNHRTSA-N 383.416 -0.629 30 20 GBED C=CCNC(=O)[C@H](C)N1CCO[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588657023 FHQBVDCIBTZUIF-WCQYABFASA-N 388.432 -0.684 30 20 GBED C=CCn1c(-c2c[nH]nc2-c2nn[nH]n2)nnc1N1CCN([C@@H]2CCOC2)CC1 1588699745 MJDJLNPUGXWXRJ-GFCCVEGCSA-N 397.447 -0.055 30 20 GBED CCc1nc(-c2nn[nH]n2)cc(N2CC[C@](O)(CNC(=O)C#CC(C)C)C2)n1 1590905745 ASOPGRZHTQDHEG-SFHVURJKSA-N 384.444 -0.064 30 20 GBED N#CCNC(=O)CN1CCCC2(C1)CN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 1592678384 WQAHWJZCQOZLRE-UHFFFAOYSA-N 383.416 -0.627 30 20 GBED CN1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H](C(=O)O)C1 1598607146 IGZSEVRKPSCDCH-CYBMUJFWSA-N 380.426 -0.689 30 20 GBED C#CCOCCC(=O)N[C@H]1C[C@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)C12CCC2 1602729264 MEAXDCIOHNMFOP-STQMWFEESA-N 382.428 -0.042 30 20 GBED O=C(C#CC1CC1)N1CC[C@@]2(C1)CN(c1ccc(-c3nn[nH]n3)nn1)CCO2 1606458411 ZUJKVMPCXFTKTP-SFHVURJKSA-N 380.412 -0.122 30 20 GBED Cn1ncnc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779015775 DIBBJBRIUAINKJ-PQFHHTBUSA-N 389.460 -0.270 30 20 GBED CC(=O)NCCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1783190017 SDRWGLFGGCGRDC-IOVUBPJKSA-N 393.488 -0.186 30 20 GBED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)CN)C[C@@H]32)cc1 1783441037 LLMDZEOSWYYKFY-VJANTYMQSA-N 399.495 -0.243 30 20 GBED Cc1nnc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)s1 1795822656 FIRXOGDWRBNIDZ-CULMDFNYSA-N 378.410 -0.933 30 20 GBED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1 1797622049 YOIGVDUOCMOYCM-GNXNZQSNSA-N 375.433 -0.541 30 20 GBED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H](O)CN1 1799920535 SCSKYLZJDSKMJE-BAIFEVOWSA-N 394.472 -0.124 30 20 GBED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c1 1800778002 QKIFSVWIGBFYOK-CCWDJLKJSA-N 397.387 -0.142 30 20 GBED N#CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC[C@@H](N)C(N)=O)CC2 1814492903 KLORINWDTTWOGJ-NXEZZACHSA-N 378.458 -0.048 30 20 GBED NC[C@H](N)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819773906 BUNGWFBVFLWVMW-VSGAHKJISA-N 393.517 -0.187 30 20 GBED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)CC1 1835346789 SJEKSMBEJQMBNQ-SFHVURJKSA-N 391.424 -0.300 30 20 GBED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cnnn1)CCO2 1836150305 LVPOXQWQIFTZAH-GOSISDBHSA-N 390.444 -0.677 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cncn4)C3)C2)c1 1838736246 SOFHIPOAQSTVFV-GOSISDBHSA-N 399.411 -0.752 30 20 GBED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2 1839159144 UUKYYQJWWDKWLS-QFBILLFUSA-N 397.472 -0.440 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3)CCO2 1839574223 ZKDRNXFUPZAWKS-FQEVSTJZSA-N 383.404 -0.116 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC=CCC3)C2)C1 1840040415 ZLRHAPJESZJBQT-DNVCBOLYSA-N 376.409 -0.113 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2 1841624349 WNKUESDKAQZMBR-GFCCVEGCSA-N 379.419 -0.131 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)C=CC1=O)C2 1844239340 BFDJBVQDUTWPEX-CYBMUJFWSA-N 375.425 -0.312 30 20 GBED C=C(C)CN(CC)C(=O)COC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 6371073 ZUSZCZOJBLIRHA-UHFFFAOYSA-N 377.401 -0.599 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H](O)C2)CC1 263845236 BRQRNQBEUHZPDF-MRXNPFEDSA-N 392.481 -0.152 30 20 GBED C#CCOc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 265977325 XQQQCJMRBMDKNC-IRXDYDNUSA-N 378.450 -0.074 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCC[C@H]1C(=O)NC1CC1)c1cc[nH]n1 276506566 ALMNWMNCUUZHCA-SYPKWCCASA-N 377.401 -0.037 30 20 GBED N#Cc1cccc(CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 284134324 WCDKYMHQSUQNFK-UHFFFAOYSA-N 383.408 -0.876 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](C)CN2CCN(CC)CC2)C1=O 284440117 WKUXWJYUCJPKJX-DLBZAZTESA-N 393.532 -0.379 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](CO)C1 349519045 HLERZQDWKOAYLR-OLZOCXBDSA-N 397.544 -0.709 30 20 GBED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 349593699 SKSIPIIGGRYIMM-OLZOCXBDSA-N 392.503 -0.718 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)n1 360079531 OESUNEQWKZFAIY-CYBMUJFWSA-N 390.469 0.302 30 20 GBED COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 367165673 PAICTROFDIGTAB-KBPBESRZSA-N 396.535 -0.162 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C)[C@@H](c3nccn3C)C2)n1 376735654 IENJKORBMDOLQK-CQSZACIVSA-N 384.444 0.523 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](C)CN1 418967828 SPCPNIFYJSLFKX-CPUCHLNUSA-N 383.452 -0.016 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)NCc1cccc(C#N)c1 444606353 CSGZDWQKVJKABR-MRXNPFEDSA-N 388.424 -0.445 30 20 GBED C=CCC[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)OCC 456629070 OTUYDRMGQSUBHV-NSHDSACASA-N 377.401 -0.552 30 20 GBED N#C[C@@]1(NC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCOC1 478664409 YIHMAHGUUJCAIF-ZBEGNZNMSA-N 378.410 -0.514 30 20 GBED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(N)=O 524281425 WIUPUWLKYRJGCO-UHFFFAOYSA-N 388.424 -0.438 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](OCCO)C3)CC2)o1 547749904 YAWKPWNNPUZWQG-OAHLLOKOSA-N 377.445 -0.023 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CC1 591006037 AOCQJNGSWRYZRO-NVXWUHKLSA-N 381.436 -0.056 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3cscn3)CC2)C1=O 623211105 WAOIMCPLJBOSJQ-UHFFFAOYSA-N 377.426 -0.236 30 20 GBED C#CCNC(=O)CN1CCN(CCOc2ccc(-c3nn[nH]n3)cc2OC)CC1 735380165 DHFQSGHRWZQOQG-UHFFFAOYSA-N 399.455 -0.379 30 20 GBED CCc1nc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2ccccn12 755803814 IXLQRMGUZZBZFQ-UHFFFAOYSA-N 390.425 -0.394 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](S(C)(=O)=O)C2)c1=O 763386347 ZLKBNSHXPUWFHA-ZDUSSCGKSA-N 384.458 -0.990 30 20 GBED C[C@@H](CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)S(N)(=O)=O 768607068 WXVSMANOEXOXSW-ZJUUUORDSA-N 388.471 -0.703 30 20 GBED Cc1c(C(=O)NS(=O)(=O)CC(C)(C)C#N)cnc2c1c(=O)n(C)c(=O)n2C 776135782 HQQWIXHVKJKAFZ-UHFFFAOYSA-N 393.425 -0.450 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(C)CC(=O)OCC)c1 782576206 XITTXVHTJOFPCS-UHFFFAOYSA-N 396.421 -0.224 30 20 GBED C#C[C@@H](NC(=O)C(=O)NC1CCN(CC(=O)NCCC)CC1)[C@H]1CCCO1 788069726 PSZZTNCJIMXUDQ-HZPDHXFCSA-N 378.473 -0.610 30 20 GBED C#CCCCNC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 793828200 LKTJZXOCUMCYHH-UHFFFAOYSA-N 380.445 -0.289 30 20 GBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O)[C@H]1CCCO1 808158752 AGTMPJUOBOOBIP-GVDBMIGSSA-N 384.436 -0.014 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1)[C@H]1CCCO1 809309724 QWJNSQQMGSBILO-HUUCEWRRSA-N 397.439 -0.691 30 20 GBED C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)CC1 848962631 KGSIFSSVXFOGIU-CQSZACIVSA-N 376.504 -0.869 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 875042946 CFAFBSLSMRQHEZ-KRWDZBQOSA-N 387.484 -0.006 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2cn3ccccc3n2)CC1 891716838 XTVPNLUEOLZFKB-UHFFFAOYSA-N 390.469 -0.328 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2ccc(O)nc2=O)c1 1001897886 VFJJKNSUZUUKDV-BZPMIXESSA-N 382.380 -0.289 30 20 GBED CC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 1069958731 LCCAOAHETRVIKB-RQJABVFESA-N 387.362 -0.011 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)CC2)c1C#N 1117375995 XVCGJPNCFVHCSA-CYBMUJFWSA-N 399.455 -0.872 30 20 GBED CNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1117997307 KPSVFLORLPLGPB-CQSZACIVSA-N 391.453 -0.480 30 20 GBED C=CCN(C(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)[C@@H](C)COC 1118612108 CYSODNFABDSVEZ-AWEZNQCLSA-N 389.518 -0.339 30 20 GBED C=CC/N=C(/NCCn1cncn1)N1CCC[C@H](N2CCCS2(=O)=O)C1 1120549335 DXGWKOYPIWTYMB-HNNXBMFYSA-N 381.506 -0.090 30 20 GBED COCC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 1129118463 KRCIPCBXEIUUKP-KONPQCLYSA-N 383.456 -0.193 30 20 GBED CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1cccc(OCC#N)c1 1321671888 DYKIOQJDNLYKJI-HNNXBMFYSA-N 376.413 -0.321 30 20 GBED C#CCOCCNC(=O)C(=O)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 1323093754 UJPASNGZDFDYAC-ZDUSSCGKSA-N 381.454 -0.120 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCc2cn3c(n2)SCC3)CC1 1323842660 NZVVIMRRDBLLLL-UHFFFAOYSA-N 389.481 -0.365 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 1324009575 GQRBTPGCJPGBAL-UHFFFAOYSA-N 393.387 -0.098 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCOCC(F)F 1329899388 UIXVGRSZYNWCHR-LLVKDONJSA-N 382.371 -0.217 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)nn1 1332043841 SAEZKEDPGMCARF-FZMZJTMJSA-N 386.416 -0.876 30 20 GBED C=CCn1c(CN2CCC(CO)CC2)nnc1N1CCN(S(C)(=O)=O)CC1 1340448074 BTBAZBVNYHHUQR-UHFFFAOYSA-N 398.533 -0.250 30 20 GBED C=C(C)Cn1c(C2CCN(C)CC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1342541349 HHQPZEPTUOFNFX-HNNXBMFYSA-N 387.488 -0.190 30 20 GBED C=CCOCCNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 1347345396 JWILYGFTPAVMQK-UHFFFAOYSA-N 391.396 -0.322 30 20 GBED C=CCN(C(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)[C@@H](C)COC 1350280174 LNLKCFCXRYWVME-GJZGRUSLSA-N 380.489 -0.153 30 20 GBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1ncc(-c2nn[nH]n2)cc1F 1573286247 XABSXFVVHKTDIN-YPMHNXCESA-N 391.407 -0.305 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](CO)N=c1cc(C)[nH]cc1-c1nn[nH]n1 1573294297 AQCFHZLVKAHMAO-WWGRRREGSA-N 387.444 -0.138 30 20 GBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 1573343875 UQGHNRBSOWEORQ-YPMHNXCESA-N 375.389 -0.911 30 20 GBED N#Cc1cncc(N2CCO[C@@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 1581883000 GRXDSXDMHLPNFY-NSHDSACASA-N 380.372 -0.508 30 20 GBED C=C[C@@H](C(=O)NC[C@@H](O)CN=c1cc[nH]c(-c2nn[nH]n2)n1)c1ccccc1 1588467685 MTSJQRNVILMBBF-UONOGXRCSA-N 380.412 -0.063 30 20 GBED C=CCCOCC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588617098 QHERCZUSJULGOL-OLZOCXBDSA-N 375.389 -0.911 30 20 GBED C=CCOCC(=O)N[C@H](C)[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1588672134 SEYNZZTWZOFABK-BXUZGUMPSA-N 389.416 -0.257 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[nH]n2)nn1 1588719106 XSHQZCVYYXZLQF-BZPMIXESSA-N 388.432 -0.497 30 20 GBED CN(CCOCCNC(=O)c1c[nH]c(C#N)c1)c1ccc(-c2nn[nH]n2)nn1 1591111143 ZRFXATQQWZGREZ-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED Cc1cc(-c2nn[nH]n2)cnc1C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1591873114 CVJIRFOKMBMJMC-LLVKDONJSA-N 389.397 -0.850 30 20 GBED C#C[C@H]1COCCN1CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O 1602697594 YFPMRRKSXLFIPS-KBXCAEBGSA-N 381.396 -0.075 30 20 GBED CS(=O)(=O)NC1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1672354028 WDXAPKHGNYVYAA-HNNXBMFYSA-N 391.453 -0.398 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1778780962 KWHYVDYFXPXDPT-HBUWYVDXSA-N 399.444 -0.528 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1778973497 GLEWBOJDRUSMNB-UGSOOPFHSA-N 383.445 -0.255 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780334321 JSDQVQPPHNPKED-UGSOOPFHSA-N 388.428 -0.223 30 20 GBED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781422371 YKFGVDRMGAZLKR-IUOVYFEOSA-N 389.460 -0.420 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782753871 PATBZTVECPAJJC-SCLBCKFNSA-N 381.429 -0.429 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1783566800 JGLFYJRXUGZRGD-MRXNPFEDSA-N 378.772 -0.339 30 20 GBED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2 1784195431 SSYWVORORSSRFH-IBGZPJMESA-N 390.440 -0.438 30 20 GBED Nc1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)s1 1786935590 HLCMXWHCOXFUGY-DCAQKATOSA-N 378.410 -0.593 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(F)n3)C[C@@H]21 1791077315 VLIJTWKCJZGJBR-OBJOEFQTSA-N 375.356 -0.098 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2 1793362353 NGZJHRHOSXNLHN-ZQNQSHIBSA-N 378.433 -0.585 30 20 GBED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CS(C)(=O)=O)C2 1796043312 XFAQWKYZAFWGQE-BTTYYORXSA-N 384.502 -0.049 30 20 GBED C[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801988825 OLZYHPGFRIUULL-FQUUOJAGSA-N 399.407 -0.679 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1 1812877334 GFRWTFYBGBHFKW-UGSOOPFHSA-N 395.375 -0.428 30 20 GBED N#CCC(=O)NC1CCN(C2CCN(C(=O)CCc3nc(N)n[nH]3)CC2)CC1 1834399875 BNQKGCKQHIHYKP-UHFFFAOYSA-N 388.476 -0.195 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835114992 VEEXEDOFLHJRRH-DHSIGJKJSA-N 399.513 -0.324 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1835359936 QIAOSNNJANSKLN-MRXNPFEDSA-N 392.372 -0.308 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncon3)CCO2)C1 1838316890 LBOHIXDYQSYGIU-UGSOOPFHSA-N 394.428 -0.287 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1839192829 RHFCCXRIFNOARW-QGZVFWFLSA-N 388.486 -0.629 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1nccn1)CCO2 1839234382 JHTIKXKYBZEROO-QGZVFWFLSA-N 395.485 -0.346 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1839806470 PVFJVURDSKSMAR-PXNSSMCTSA-N 386.404 -0.084 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3CCCCO3)C2)C1 1840040878 CHDQAXBQBXIZNY-KXBFYZLASA-N 394.424 -0.510 30 20 GBED C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 51768573 SUUDHHNTLIIRFA-QGZVFWFLSA-N 399.561 -0.315 30 20 GBED C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 264882113 CVYFSHVDNZDDHW-SNVBAGLBSA-N 377.426 -0.200 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1 272104492 ZOLWMKYLUSHQBT-UHFFFAOYSA-N 394.453 -0.207 30 20 GBED C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 297616394 BRVWCMSTBHJAFZ-UONOGXRCSA-N 375.429 -0.808 30 20 GBED O=C(CC/N=C(/O)NCC(=O)N1CCCC1)N1CCN(c2ncccn2)CC1 328688385 HRGUFXWISWRZDZ-UHFFFAOYSA-N 389.460 -0.359 30 20 GBED C[C@H](CCN1CCN(C)CC1)/N=C(/O)N[C@H]1CCCN(S(C)(=O)=O)C1 329979136 JAADQAXJKNQRET-CABCVRRESA-N 375.539 -0.060 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)N2C[C@H](F)[C@H](F)C2)nc1 349458690 FQHCINVVIYKJIS-TXEJJXNPSA-N 394.425 0.407 30 20 GBED C[C@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)Nc1nc2ccccn2n1 349568963 ARNLPKBEJUYRLV-LLVKDONJSA-N 386.459 -0.060 30 20 GBED Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)ncc1C#N 349597807 FOALHXNCPFLWOS-UHFFFAOYSA-N 397.482 0.569 30 20 GBED C=CCn1c(Cc2noc(CN3CCOCC3=O)n2)nnc1N1CCOCC1 350021195 VBTMRTWEASEXBR-UHFFFAOYSA-N 389.416 -0.367 30 20 GBED CNS(=O)(=O)[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 364310921 VCZKYWXEZMLFRY-HOTGVXAUSA-N 385.534 -0.308 30 20 GBED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@H](C(N)=O)C2)CC1 367644634 LNCGZSZLDXKSPN-SJORKVTESA-N 389.431 -0.279 30 20 GBED C[C@@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409525528 NTDWMDKXMXMRLN-HZPDHXFCSA-N 399.517 -0.526 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H](OCC)[C@H](C)C2)CC1 459886243 OJIXFDKCYYJDNF-CVEARBPZSA-N 380.489 -0.294 30 20 GBED C=CCSCCNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 541887761 QUCQDDHKSHXFGF-UHFFFAOYSA-N 391.563 -0.275 30 20 GBED COC(=O)[C@H](CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)OC 551467883 SOLWAWLINMCXAF-ZDUSSCGKSA-N 389.343 0.126 30 20 GBED COC(=O)[C@@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCO1 553499747 JKPGXFGSFKKVMG-ZDUSSCGKSA-N 381.410 -0.189 30 20 GBED CO[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncc(C#N)s2)C1 594637124 MUUVSUUAVNFGPA-JTQLQIEISA-N 394.500 0.197 30 20 GBED CC(=O)N[C@@H](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C(N)=O 610421245 HPXGGTGJRVUCHD-HOTGVXAUSA-N 375.404 -0.085 30 20 GBED Cc1ccn(CC(=O)NCC#CCNC(=O)Cn2ccc(C)cc2=O)c(=O)c1 683634142 VZZLYGVWGMOWOV-UHFFFAOYSA-N 382.420 -0.437 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(F)c(NS(C)(=O)=O)c2)CC1 728530478 HCISVLAAXOGMIW-UHFFFAOYSA-N 396.444 -0.296 30 20 GBED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)CN1CC(=O)NC1=O 732358051 SEOPUTYVENQMGX-UHFFFAOYSA-N 382.336 -0.223 30 20 GBED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nn1c(O)nnc1O 820292559 UHDJCQDUPGTLRE-SNVBAGLBSA-N 394.413 -0.087 30 20 GBED C[C@]1(c2cccc(C(=O)Nc3nc(C#N)c(-c4nn[nH]n4)[nH]3)c2)NC(=O)NC1=O 820636506 SLZWODVTMLGGAG-MRXNPFEDSA-N 392.339 -0.232 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 834456829 IKFHZEDSHLBNIT-CYBMUJFWSA-N 383.426 -0.303 30 20 GBED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2nccnc2C(N)=O)c[nH]1 1002528149 MOQAABBBDINULS-UPJWGTAASA-N 379.380 -0.049 30 20 GBED C#CCN1CCC(C(=O)N[C@]23CCC[C@H]2CN(C(=O)[C@H]2C[C@H]2C(N)=O)C3)CC1 1007570432 UXKBYVFHTQUBHT-DLRJPAPCSA-N 386.496 -0.050 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(O)n2)C1 1025486105 JIZLQBJRSSUHLB-MXYBEHONSA-N 378.429 -0.202 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC(S(N)(=O)=O)CC2)cc1 1143897364 PVDXFGFSUWEZQX-UHFFFAOYSA-N 385.467 -0.247 30 20 GBED CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1326932493 OZLFBLOLZAGYJA-PQTZJTHMSA-N 390.440 -0.051 30 20 GBED O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@H](N1CCNCC1)C(F)(F)F 1328593723 NIMFEWQCXJFMAD-TZFAWSOVSA-N 389.378 -0.145 30 20 GBED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCOC1 1541106423 WFBGERKEPVFYMH-TYNCELHUSA-N 386.478 -0.364 30 20 GBED O=C(CCOCc1cnn[nH]1)N[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@@H]1O 1577890095 RJDGEFZHTNRFFS-MSOLQXFVSA-N 397.435 -0.159 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1588358209 VHPJNRDLPFJSOK-YPMHNXCESA-N 387.400 -0.810 30 20 GBED C#CCN(CC(=O)O)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1588399389 JTGINHWUABNETJ-BFHYXJOUSA-N 384.454 -0.358 30 20 GBED CS(=O)(=O)NC1CC(NC(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 1591677976 CSTZSYDTFNJOQK-HSBZDZAISA-N 389.441 -0.255 30 20 GBED N#Cc1ncn(CCNC(=O)C(=O)N2CCc3ccc(-c4nn[nH]n4)cc32)n1 1606398874 ZFKOQZXGCQYCNT-UHFFFAOYSA-N 378.356 -0.965 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CN(C)S(C)(=O)=O)C[C@H]21 1757248799 STQXIJHKWRMFEC-TUVASFSCSA-N 385.486 -0.472 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778897032 WGBGSINCUHAFOA-CQSZACIVSA-N 392.286 -0.990 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)c1 1780600515 ZIUIEBNESRHOFE-JXFKEZNVSA-N 399.451 -0.405 30 20 GBED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1783898430 RRHMOZDXERHWGZ-NOZJJQNGSA-N 383.392 -0.187 30 20 GBED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)CNC(N)=O)C3)C2)c1 1785629867 DFKBLWLFISIGKT-GOSISDBHSA-N 389.387 -0.191 30 20 GBED Cc1cc2nnc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)c(C)n2n1 1795081997 XACNBKUAFBIGEI-FVCICTRLSA-N 383.412 -0.142 30 20 GBED CC(=O)O[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)C(C)C 1800777170 JCCYDQCZAKUUPE-RMHZUWNSSA-N 380.397 -0.748 30 20 GBED CN[C@H](CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1)C(=O)O 1817370187 YOEDPJGEBBPUNB-NEPJUHHUSA-N 391.384 -0.448 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCOC)C2)C1 1829765212 NDFLSPOAYLRZGC-HMECNJMJSA-N 395.456 -0.662 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1830060465 VTWGTBXMFKHMCC-SFHVURJKSA-N 389.412 -0.198 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831274993 PZNMEXGNFYSULL-KUHUBIRLSA-N 397.472 -0.848 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1835448819 PWANOUSPJKQDCM-FQEVSTJZSA-N 393.484 -0.422 30 20 GBED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1835646213 XFMDXNQQSFNECA-QGZVFWFLSA-N 380.445 -0.744 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1839808759 ZFYFTFRSMXZEAL-FQEVSTJZSA-N 383.404 -0.116 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1839810724 NTISBILPODCLGU-ACBHZAAOSA-N 376.409 -0.581 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840445963 WGSKUESAJXAIGS-SFHVURJKSA-N 390.444 -0.326 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842874703 GWXWJKSKECOAEL-LBPRGKRZSA-N 390.377 -0.285 30 20 GBED O=C(CN1CCOCC1)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844258809 XHKPELGSKOCTTK-DEDYPNTBSA-N 377.489 -0.006 30 20 GBED O=C(/C=N/N1CCCCC1)N1CC2(CCCN2C(=O)Cn2ccncc2=O)C1 1845767306 BSDIXIIRFWOIOJ-CIAFOILYSA-N 386.456 -0.082 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NC(C(=O)OCC)C(=O)OCC)c1 25987280 QCLVWEYOSMFLCJ-UHFFFAOYSA-N 396.421 -0.177 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)C1=O 275504494 ZYWJSPMPVVRFMS-VIFPVBQESA-N 390.318 -0.510 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 281459095 UCHQEKLYSBOTJB-UHFFFAOYSA-N 383.451 -0.145 30 20 GBED CCN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1=O 289212517 YKKIWXUHTSYQAL-MRXNPFEDSA-N 397.435 -0.139 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H]1CCNC1=O 349453912 PFBYVEUFXKNXGS-NSHDSACASA-N 386.455 -0.660 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C2(C#N)CCC2)C[C@H]1O 349528916 VNJDWONGAANRPJ-QWHCGFSZSA-N 379.504 -0.273 30 20 GBED CC(C)N1CCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)CC1 349533538 QQUICKYTZKQFQW-UHFFFAOYSA-N 378.520 -0.292 30 20 GBED COC(=O)[C@H]1COCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 368540949 XVNRUGSVJLPQAY-CQSZACIVSA-N 377.401 -0.623 30 20 GBED Cn1cc(S(=O)(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c(=O)n(C)c1=O 378319632 XUSQRHNCXDFJLR-AWEZNQCLSA-N 390.421 -0.282 30 20 GBED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 444437970 NCJRHFLSYXKKBU-HOCLYGCPSA-N 395.437 -0.296 30 20 GBED C[C@@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)N1CCN(C)CC1 523697082 ZSOQOIVMYIQWKW-HNNXBMFYSA-N 393.513 -0.069 30 20 GBED CN(C)S(=O)(=O)N(C)CC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 553146787 BNXAOLSWBJJFDI-UHFFFAOYSA-N 379.486 -0.059 30 20 GBED COCCNC(=O)CN1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 569884570 UREHAMNRKQTVIL-UHFFFAOYSA-N 395.485 -0.893 30 20 GBED COc1cncc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 571289616 FIWDTJAZLGGQHU-AWEZNQCLSA-N 394.391 0.213 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1 573695151 CVHDYEUTFLXWSJ-KBPBESRZSA-N 376.438 -0.097 30 20 GBED C[C@@H]1[C@H](O)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 590762107 BRMSIKGMCWXFAQ-GDBMZVCRSA-N 392.481 -0.154 30 20 GBED C#C[C@H](CC)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 753886368 BULISFGNZFAUHT-MELADBBJSA-N 375.429 -0.015 30 20 GBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1 756745671 GXCRIUFSQSXZOE-IINYFYTJSA-N 391.409 -0.272 30 20 GBED CCS(=O)(=O)N[C@H](CCSC)C(=O)OCCn1ncc(C#N)c1N 771598517 CKBVEGLTSFLGSY-LLVKDONJSA-N 375.476 -0.059 30 20 GBED C=CCS(=O)(=O)CCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 783540560 ZPCYCKSPDJYWRA-UHFFFAOYSA-N 397.438 -0.572 30 20 GBED CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCO1 800113866 JRAJEWYIBNHZHD-STQMWFEESA-N 390.462 -0.319 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)[C@H]1CCCO1 809314169 YXQWLKZUZWDKFN-SOUVJXGZSA-N 385.486 -0.396 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1 834456856 JNCZKSQSWZVVRW-AWEZNQCLSA-N 382.438 -0.061 30 20 GBED Cn1c(N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c(C#N)c(=O)n(C)c1=O 848717733 VMDXZIKLGMBEJV-ZJUUUORDSA-N 385.346 -0.197 30 20 GBED C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)CC1 848962757 USQSEDHMDLRXCG-UHFFFAOYSA-N 390.531 -0.479 30 20 GBED C#CCN(CC(=O)O)S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 849220197 JJVLOIKKMUXDKV-MRXNPFEDSA-N 395.393 -0.542 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCn1cc(C(N)=O)cn1 851496468 XUEHTKAIKHZTBY-NSHDSACASA-N 391.409 -0.236 30 20 GBED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)nn1 937970815 KWUDLWMVWGJOCZ-RZLSGREXSA-N 375.429 -0.154 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 962525766 GKHVDMUNKHITQT-ZWUHOBOKSA-N 379.413 -0.349 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@@H]1O 964489560 JUVOHXQSAQSATN-IVSAIRAKSA-N 377.445 -0.583 30 20 GBED N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nccnc2C(N)=O)c[nH]1 996121947 FYJTXVKGYQDQLG-AGIUHOORSA-N 379.380 -0.049 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1O 1023919452 QMPXFXSNUQGLSF-LHHMISFZSA-N 391.472 -0.193 30 20 GBED Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H]2C[C@@H](C)CC(=O)N2)n1 1043810989 DZJPSDAQOZVDFW-BQDHKBFISA-N 384.440 -0.013 30 20 GBED C=CC/N=C(/NCCn1cncn1)N1CCC[C@@H](N2CCCS2(=O)=O)C1 1120549436 DXGWKOYPIWTYMB-OAHLLOKOSA-N 381.506 -0.090 30 20 GBED C=C(C)CNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 1130238217 ZSLQAZVJRXGQBL-FQUUOJAGSA-N 392.460 -0.508 30 20 GBED CCN1C(=O)[C@@H]2CN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CCN2C1=O 1252860963 RZHMUZYBCWNZGL-IVPXEPLCSA-N 390.400 -0.809 30 20 GBED C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O 1317692206 YPKOUKVAXDCXST-DYVFJYSZSA-N 390.421 -0.371 30 20 GBED C[C@@H]1CN(c2ccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)cn2)C[C@@H](C)O1 1323105319 SIDAQABMNQYXLU-CHWSQXEVSA-N 398.427 -0.087 30 20 GBED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCOCC2)cc1 1326765410 QXIRPRYLMZEOFQ-CYBMUJFWSA-N 394.453 -0.241 30 20 GBED CN1C[C@@H](C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c2ccccc2C1=O 1341806207 XSKFIGHVHDPGKF-LSDHHAIUSA-N 389.433 -0.178 30 20 GBED C=C(C)Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@](C)(O)COC 1342304240 VYKFTYBHQDGSPN-GOSISDBHSA-N 380.493 -0.082 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3nnnn3CC3CC3)CC2)c1 1343364087 BNGAODKNHQMPHR-UHFFFAOYSA-N 395.427 -0.685 30 20 GBED Cn1c(CC(=O)NCCn2cc(C#N)c(O)nc2=O)nnc1-c1ccccc1 1557600335 KHTCDVKIPOBPLL-UHFFFAOYSA-N 379.380 -0.025 30 20 GBED C=CCCn1cc(C(=O)N[C@@H](C)CCN=c2cc[nH]c(-c3nn[nH]n3)n2)nn1 1573341725 PHQXCJXALBWKCD-NSHDSACASA-N 383.420 -0.133 30 20 GBED C#CCCN1CC(N2C[C@@H](NC(=O)c3cncc(-c4cnn[nH]4)c3)CC2=O)C1 1574882928 FZPCWBWVBUMMAA-HNNXBMFYSA-N 379.424 -0.095 30 20 GBED C#Cc1cncc(C(=O)N2C[C@H]3[C@H](NC(=O)CCOCc4cnn[nH]4)[C@H]3C2)c1 1575032877 PTPGSDZASZZBSO-VQFNDLOPSA-N 380.408 -0.026 30 20 GBED N#Cc1ccc(C(=O)NCC[C@H]2CN(CCc3cnn[nH]3)CCS2(=O)=O)[nH]1 1577712760 YAUKKGTUZKGSBB-AWEZNQCLSA-N 391.457 -0.534 30 20 GBED N#Cc1nccc(N2CC[C@H](NC(=O)c3cncc(-c4cnn[nH]4)c3)[C@H](O)C2)n1 1577719025 FZIWVXJLGGPBMR-DZGCQCFKSA-N 391.395 -0.102 30 20 GBED N#Cc1nccnc1N1CC[C@H](NC(=O)c2ccc(-c3cnn[nH]3)cn2)[C@H](O)C1 1577719735 YMCWKMBGGSLYCN-BLLLJJGKSA-N 391.395 -0.102 30 20 GBED Cn1c(=O)[nH]c(N2CCO[C@@H](c3cccc(C#N)c3)C2)c(-c2nn[nH]n2)c1=O 1581748201 SBPVSNBXOPGIEY-GFCCVEGCSA-N 380.368 -0.297 30 20 GBED N#Cc1cn(CC(=O)NCC2(N3CCOCC3)CCCCC2)c(=O)nc1O 1587095330 UDGZXRXUZYVPSI-UHFFFAOYSA-N 375.429 -0.028 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCCO1 1588505842 YIWZFFAEGNAUMF-YVEFUNNKSA-N 388.432 -0.305 30 20 GBED CC(=O)NC[C@@H]1CN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)CCO1 1588858521 XKOBDILGJNDLON-JKSUJKDBSA-N 383.412 -0.088 30 20 GBED COCCN(Cc1ccc(C#N)cc1)c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C 1591427023 VYVAUSRZIBFXJX-UHFFFAOYSA-N 396.411 -0.211 30 20 GBED N#CCSCC(=O)NC[C@H](O)CNCc1ccc(F)c(-c2nn[nH]n2)c1 1592679678 ZHAZHRJQIUAEDP-LLVKDONJSA-N 379.421 -0.171 30 20 GBED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(O)(C(=O)O)C1 1601266337 METFQBWOFGTETF-UHFFFAOYSA-N 395.437 -0.057 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(N2CC[C@@](O)(CNC(=O)CSCC#N)C2)n1 1605560407 ZBMBJNJWSGDGKR-OAHLLOKOSA-N 389.445 -0.721 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CC(Oc3ccc(-c4nn[nH]n4)cc3)C2)CCO1 1606345571 LNGHLOCOQVOHTD-CYBMUJFWSA-N 383.368 -0.793 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2ccc(-c3nn[nH]n3)cc2)c1=O 1609059596 ZYDNPDVJMWCJJC-UHFFFAOYSA-N 395.379 -0.393 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H](C)CC[C@@H]3O[C@@H](C(=O)O)C[C@H]32)C1=O 1609373494 COBKQBJYGKGDEQ-WISYIIOYSA-N 379.369 -0.415 30 20 GBED O=C1C[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)CN1 1779137718 CZTLNZWLVKOXQG-NPMKPGHBSA-N 388.424 -0.336 30 20 GBED C[C@@H](Nc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779331889 RWIZLDZNWWRSBM-KUHUBIRLSA-N 386.408 -0.200 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(N)=O)C[C@@H]21 1783530543 CJLXADNJXIYJBX-VMPYYGSESA-N 392.456 -0.910 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1 1787500607 OKVLRPWWFUJKMU-JNLQPACOSA-N 378.454 -0.598 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)OC)C[C@@H]21 1788576062 JAZCEJSWSMFWRQ-AJNGGQMLSA-N 397.472 -0.105 30 20 GBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1800980265 CZFNPILDDGWRTH-ZIEJDFEHSA-N 392.481 -0.281 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1812872067 BDWLZQZGYAEZMA-DVOMOZLQSA-N 386.364 -0.716 30 20 GBED C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1831320886 BMOQNUOQMWBYNA-AWEZNQCLSA-N 383.412 -0.321 30 20 GBED Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)n1 1833095049 TVHPSSHLRZYYNG-RHSMWYFYSA-N 382.486 -0.034 30 20 GBED N#CCC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCNC(=O)C3)CC2)CC1 1836563449 MIOPIZLLSPTWDP-AWEZNQCLSA-N 375.473 -0.002 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839781169 HVRTWWYCPITHGN-YOEHRIQHSA-N 399.469 -0.676 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039850 IQYPWMXNRPSXGA-WBVHZDCISA-N 384.454 -0.515 30 20 GBED C/N=C(/NCCn1cc([N+](=O)[O-])cn1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 261857483 YUUFQFQSVOBVKC-MRXNPFEDSA-N 392.420 -0.323 30 20 GBED N#C[C@@H]1COCCN1CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 266853640 FWNRZDVPPQZQBZ-OAHLLOKOSA-N 394.453 -0.130 30 20 GBED C[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 298996243 OYJCYASJMBNITM-PFMFLNCGSA-N 382.442 -0.065 30 20 GBED CN(C)C(=O)CN1CCC(N/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)CC1 328815993 PPDLUODQKHEPKP-CQSZACIVSA-N 389.522 -0.533 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)NCC(C)(C)O)n1 349577137 UCTHXERVDRJQRU-UHFFFAOYSA-N 379.464 -0.886 30 20 GBED CC#CCN(C)S(=O)(=O)CCCCS(=O)(=O)N1CCCn2ncnc21 349610521 RDQDJLMLVYFPMQ-UHFFFAOYSA-N 389.503 -0.117 30 20 GBED COC(=O)[C@H]1CNC(=O)CN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 468664940 DQIQFOIZBMDUDK-CQSZACIVSA-N 393.421 -0.122 30 20 GBED CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CS(=O)(=O)CCO1 511453056 GBNVXDAGFJCRGA-GFCCVEGCSA-N 381.410 -0.175 30 20 GBED COCCO[C@H]1COCC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 581401198 WFYGEBVFEDZBPI-CVEARBPZSA-N 397.453 -0.227 30 20 GBED CC(C)CN1CCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)CC1=O 590991708 XNNNNGNOWLXEOY-UHFFFAOYSA-N 398.467 -0.071 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](n2cncn2)C1 594636448 FNNPZTACYBNOPF-GFCCVEGCSA-N 396.454 -0.284 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](CC(N)=O)C1 600679377 IXAXSKBHTRMMQO-DGCLKSJQSA-N 380.426 -0.672 30 20 GBED CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(CCC#N)CC2)CC1 602235816 GPGBIGARZKNLDJ-QGZVFWFLSA-N 378.521 -0.566 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCn2c(=O)n(C)c3ccccc32)CC1 728532913 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C#Cc1ccccc1CC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 969651044 XGHBEQGWGJMHCG-ZFORQUDYSA-N 398.459 -0.050 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2ccc(O)nc2=O)[C@@H]1C 990125034 VDAUEYFMFQBYII-MQYQWHSLSA-N 376.413 -0.354 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccc(C)cc2=O)C[C@H]1O 1023960406 JQJATQNNINVWJF-VQHPVUNQSA-N 389.452 -0.174 30 20 GBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)c(C#N)cn1 1091197783 NXJOYUVRJADMRZ-JHNDHUHGSA-N 387.440 -0.260 30 20 GBED CCc1nc(C#N)cc(NC[C@H](O)CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)n1 1106184606 MBKIMSBSPOLBIV-PLNCSYRRSA-N 375.429 -0.149 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc(-n2ccnc2)nn1 1111138656 RBGXXJWUYRVOFW-BMFZPTHFSA-N 379.424 -0.253 30 20 GBED C[C@H](CC#N)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1116710689 KGOUAGXDEJXXRL-JHJVBQTASA-N 376.417 -0.124 30 20 GBED C#CCCn1nnnc1N1CCN(c2ccccc2S(=O)(=O)NC)CC1 1120142754 VFHHGEXNZQMROH-UHFFFAOYSA-N 375.458 -0.069 30 20 GBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CCN(CCN3CCOCC3)C1)CC2 1255507930 MIMWADDYDAMJEX-SFHVURJKSA-N 397.479 -0.030 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCC(C(=O)N2CCOCC2)CC1)[C@H]1CCCO1 1261154661 QAWYSRDUYIUPBH-HZPDHXFCSA-N 377.441 -0.619 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCNC(=O)C1CC1 1322524370 JTVSQPZOKRDZHK-LBPRGKRZSA-N 385.428 -0.972 30 20 GBED COc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCO[C@H](C#N)C3)CC2)cc1 1324855335 DPHPJVFHDMZKTA-MRXNPFEDSA-N 386.408 -0.269 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CCN1C1CC1 1331031856 XTJPTCONMSSTJP-CVEARBPZSA-N 389.456 -0.919 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C[C@@]2(CCCOC2)O1 1331996224 JGXVICXCYBOXLL-SIXWZSSISA-N 376.457 -0.018 30 20 GBED N#C[C@H](C(=O)CCc1ccccc1C(N)=O)C(=O)N1CCS(=O)(=O)CC1 1341817503 GWBHGUMVKCDJHN-CQSZACIVSA-N 377.422 -0.316 30 20 GBED N#Cc1cn(CCNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(=O)nc1O 1470360788 KCLPWDWFBVSXBW-CQSZACIVSA-N 381.392 -0.015 30 20 GBED C=CC(C)(C)CC(=O)N[C@H](CO)CNC(=O)[C@@H]1CCCN1Cc1cnn[nH]1 1575066148 PJIYUVUDKPHIMN-GJZGRUSLSA-N 378.477 -0.035 30 20 GBED Cn1cc(-c2nn[nH]n2)c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 1581753923 YOERBUIFIPOADM-UHFFFAOYSA-N 387.385 -0.723 30 20 GBED N#Cc1ccc(C(=O)N2CCO[C@@H](CN=c3cc[nH]c(-c4nn[nH]n4)n3)C2)[nH]1 1581868525 WLTMYBOFUPXFNY-NSHDSACASA-N 380.372 -0.769 30 20 GBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1CC 1588354220 IQVZJXKBHJNEOR-GXTWGEPZSA-N 398.427 -0.556 30 20 GBED C=C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 1588525560 IIEOWEVBZIQKEQ-CYBMUJFWSA-N 378.414 -0.754 30 20 GBED C=CCOc1cccnc1C(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O 1588689094 YLJCGTLBRIYZMC-UHFFFAOYSA-N 384.356 -0.481 30 20 GBED CC#CC[C@@H](CO)NC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1588738117 LBEWIINCMILPNK-LBPRGKRZSA-N 378.414 -0.965 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@]1(CC(=O)O)CCOC1 1593334294 NHEDQOBESHUDMF-MEDUHNTESA-N 381.410 -0.025 30 20 GBED N#Cc1ccc(OCC(=O)N2CC(n3cc(-c4nn[nH]n4)c(O)nc3=O)C2)cc1 1606379277 MGOHMMULHWZFFE-UHFFFAOYSA-N 394.351 -0.537 30 20 GBED N#Cc1cn(CCC(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)c(=O)nc1O 1638202685 RGGXYSDDGGLFEZ-CYBMUJFWSA-N 380.426 -0.364 30 20 GBED Cn1cc(S(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c(O)nc1=O 1662241118 PRCOYLFGPHAQGN-NSHDSACASA-N 377.382 -0.405 30 20 GBED Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N2CCOCC2)cn1 1729571543 ZECMZXOYHQPTPL-AWEZNQCLSA-N 386.416 -0.734 30 20 GBED CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1764388569 KUNIQSGCFYFORO-STQMWFEESA-N 384.462 -0.250 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(S(C)(=O)=O)CC3)[C@H]2C1 1788111088 KEXGIFCMHKGFPR-JYJNAYRXSA-N 397.497 -0.729 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC=O)[C@H]2C1 1789881451 QOMVKSIAEGILDI-UGUYLWEFSA-N 395.456 -0.390 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)no1)C2 1792490189 NVUVUFOMUHUIHK-SVECEJSWSA-N 390.396 -0.558 30 20 GBED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1792885980 RXERTFMSPPGWFV-QVHKTLOISA-N 396.444 -0.625 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccncc13)C2 1793343297 RNNZOWXGIHTGOM-AFIMGQEJSA-N 397.435 -0.029 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2ncccc2n1 1797044215 VOIZICJKTDVGBE-DPIQGUFMSA-N 383.364 -0.980 30 20 GBED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(O)C1)C2 1797739757 CPCSQSCAFDFLEE-HPTRTIBMSA-N 378.473 -0.181 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CSC(=N)N)C3)c1 1798693940 HZOJVOZKXNTFQL-GNXNZQSNSA-N 376.442 -0.284 30 20 GBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCN(C)CC1 1799186778 RQLIWHKRJZOYBI-DGXTUMSLSA-N 384.546 -0.470 30 20 GBED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=N)N)C3)c1 1801762422 GJQGONLHVSSNPB-GMLZMKKNSA-N 398.467 0.000 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ncccn4)C3)C2)CC1 1835340589 AYTAMGKGYNFLEF-LJQANCHMSA-N 385.424 -0.221 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CC)NC)CCO2)C1 1835904005 HNJTVHWTGQCZKW-GJYPPUQNSA-N 381.473 -0.521 30 20 GBED C[C@H](NC=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838739334 PZCPQKZBLOJFKQ-SCLBCKFNSA-N 389.412 -0.909 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1839105179 TXYBBADPWRSFLF-PXNSSMCTSA-N 394.516 -0.345 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840571651 FQJNMQGCTHDNQR-KXBFYZLASA-N 396.488 -0.195 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)CCC1 1840814080 NEDWNLRCEVSZEN-ZRGWGRIASA-N 377.441 -0.092 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCC(=O)NC2)C1 1841111557 AHWAXECFVDSLRM-AWEZNQCLSA-N 375.473 -0.002 30 20 GBED C/N=C(/NCCC(=O)N(C)C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261846466 XIAFQWDCFWDZEY-UHFFFAOYSA-N 386.478 -0.824 30 20 GBED N/C(=N\CCNS(=O)(=O)c1cccs1)NCCCN1CCOCC1 269480895 OMIIFTMZQPXUOZ-UHFFFAOYSA-N 375.520 -0.347 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1=O 280987268 ADZJIUMNGJPZIY-JRULLXGZSA-N 375.425 -0.217 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2ccccc2S(N)(=O)=O)C1=O 293880078 XRIBMOKSROLHAK-UHFFFAOYSA-N 394.409 -0.731 30 20 GBED CN(C)S(=O)(=O)[C@H]1CCCN(/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)C1 329247103 VZIPDEIVMXHQST-OLZOCXBDSA-N 396.535 -0.320 30 20 GBED CS(=O)(=O)N1CCc2c(NC(=O)C(=O)N3CCO[C@H](C#N)C3)cccc21 331729847 PAHZERXBQUDPON-LLVKDONJSA-N 378.410 -0.302 30 20 GBED C=CCOC[C@H]1NC(=O)N(CCC(=O)N2CCN(c3ncccn3)CC2)C1=O 348381096 GQONXOANKPNFTI-CQSZACIVSA-N 388.428 -0.362 30 20 GBED N#CC1(NS(=O)(=O)c2ccccc2S(=O)(=O)N2CCC[C@@H]2C(N)=O)CC1 349469885 LIHMRWWJKDEPSH-LLVKDONJSA-N 398.466 -0.341 30 20 GBED CCOC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nn(C)cc2C#N)C1 349519169 IGBQQQDUGLHTTO-UHFFFAOYSA-N 391.475 -0.526 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)CCO1 410126714 CXVCCJBHLTZZEP-DGCLKSJQSA-N 385.398 -0.786 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@@H](N4CC=CC4)C3)CC2)c1C#N 410837016 UKJCZOKBXKRADJ-MRXNPFEDSA-N 397.483 -0.279 30 20 GBED CNC(=O)CN1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 443103986 MMLDGNFEDQZUGS-UHFFFAOYSA-N 381.414 -0.045 30 20 GBED COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccc(C#N)cc1F 445070751 ACRPONLAFHRMOU-ZDUSSCGKSA-N 390.414 -0.201 30 20 GBED COCCCS(=O)(=O)N1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 451328080 JRHFJDKQMHMWST-UHFFFAOYSA-N 379.504 -0.006 30 20 GBED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)c1cnn(C)c1C#N 476039692 GMJUWAANGMCBIC-UHFFFAOYSA-N 377.426 -0.165 30 20 GBED N#C[C@H]1CN(C(=O)c2cn(CCO)c(=O)nc2O)CCN1Cc1ccccc1 497886526 LOWYGLMXWXPTKV-HNNXBMFYSA-N 383.408 -0.209 30 20 GBED CCOC(=O)[C@@]1(COC)CCCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C1 499705447 JYELKDAROMITAC-HIFRSBDPSA-N 375.447 -0.253 30 20 GBED CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccnn2C)c1=O 502051893 NLPCUYDRJVRHFR-CYBMUJFWSA-N 387.465 -0.539 30 20 GBED N#C[C@@H]1CN(C(=O)NCCN2C(=O)CNC2=O)C[C@@]12C(=O)Nc1ccccc12 514024422 KKGVVBQHWHUEEN-ADLMAVQZSA-N 382.380 -0.407 30 20 GBED N#CCCCS(=O)(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 518454625 CEDYXSWRZALADP-OAHLLOKOSA-N 393.531 -0.169 30 20 GBED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 570499270 SFSUEFJJKMYFCI-AWEZNQCLSA-N 385.424 -0.072 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 599939318 VNGHBOVDOJQGPO-CWRNSKLLSA-N 392.481 -0.107 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)CC2)nc1 612771662 DRHHNAFITHPNHP-AWEZNQCLSA-N 383.412 -0.132 30 20 GBED CC#CC[C@H](CO)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 649192391 GVNOGNGLXZTBBY-CQSZACIVSA-N 381.454 -0.443 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCOC)C[C@H](O)C(F)(F)F)C1=O 655197992 XDLTXROZOIGHMK-VIFPVBQESA-N 381.307 -0.639 30 20 GBED C=CCNC(=O)CNC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 665943799 YAIFMVLWDBIFGY-ZDUSSCGKSA-N 375.495 -0.457 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NC)cc2)CC1 728534555 NCAGLNBDDIYMOY-UHFFFAOYSA-N 378.454 -0.898 30 20 GBED CS(=O)(=O)NCCOC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 730598764 UQHLBIWRIZRDHH-UHFFFAOYSA-N 375.428 -0.792 30 20 GBED C#CCN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3cccc(C(N)=O)c3)C2=O)CC1 749873279 FOJSQRMBBIQAFZ-FQEVSTJZSA-N 397.435 -0.670 30 20 GBED Cc1ccnc2[nH]c([C@H](C#N)C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)nc12 750728026 BPVYVRFWBOTOQO-SNVBAGLBSA-N 392.379 -0.110 30 20 GBED C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H](C)CC)n(CC(N)=O)c2=O)cn1 772313710 NTGVMBCLKBHQGS-LLVKDONJSA-N 385.449 -0.190 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(C)nn(COC)c2C)CC1 788627181 PODYPEIMDCSNCB-UHFFFAOYSA-N 397.501 -0.450 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2nc(O)oc2c1 794922486 JTAMVMAKZYSHKI-UHFFFAOYSA-N 393.381 -0.367 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1)[C@@H]1CCCO1 809308036 IVQSRTBYTPTDPL-KGLIPLIRSA-N 391.428 -0.843 30 20 GBED COCC[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 812395264 PTJIEELUDQIMDH-GFCCVEGCSA-N 383.426 -0.191 30 20 GBED C#CCN(CC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C(=O)OC(C)(C)C 822356940 NQPMSMFXWAJAJZ-UHFFFAOYSA-N 392.456 -0.194 30 20 GBED CCO[C@@H](CNC(=O)c1ccc(C#N)[nH]1)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 825576994 QVOLJRQVPBQIKP-NSHDSACASA-N 397.399 -0.041 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@]12CCOC2=O 848958231 WKPIPTOPQKEMBZ-AWEZNQCLSA-N 393.487 -0.337 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NCCC#N)cc1 849119562 YOFGKVQVBFYEIB-UHFFFAOYSA-N 396.425 -0.114 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1004423657 XZAOIOIMJCQMGM-QXSJWSMHSA-N 379.457 -0.212 30 20 GBED C#Cc1cncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)c1 1025061938 GMYZMOAEJYGOSM-QXDIGNSFSA-N 385.420 -0.584 30 20 GBED C#CCNC(=O)CC(=O)N1CCC[C@](CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1056029825 WCDQJBBWKQQURB-HOERASLDSA-N 389.452 -0.981 30 20 GBED COCCS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 1093057029 BSWRCBJTIXEZDL-MCIONIFRSA-N 379.442 -0.365 30 20 GBED COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3ccc(OCC#N)cc3)C2)nn1 1116717631 SZARYBDUZZIBJI-UHFFFAOYSA-N 384.352 -0.011 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)CC2)cc1 1261162668 WNDYMMLQKPZCRT-SJORKVTESA-N 399.451 -0.648 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 1261180715 JIJLSAXAPZSAME-CQSZACIVSA-N 385.486 -0.532 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H](O)Cn3ccnn3)C2=O)cc1 1312624626 FETZNPCZHFNFIZ-CVEARBPZSA-N 383.412 -0.389 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@H](O)CN2CCCC2=O)cc1 1322754186 PHPDGIJRVKJOOD-HNNXBMFYSA-N 379.438 -0.427 30 20 GBED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2)CC1 1322788950 DOHCBEFUCDEUHQ-AWEZNQCLSA-N 383.452 -0.014 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 1323191503 BJERHHNEHWMFFX-ZBFHGGJFSA-N 397.483 -0.014 30 20 GBED CC(C)N(CCC#N)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1326044609 PGXQNFVYRKGEFK-UHFFFAOYSA-N 376.417 -0.169 30 20 GBED C=CCn1c(C[C@@H]2CCCCNC2=O)nnc1N1CCO[C@@H](C(=O)NC)C1 1342073137 PIQWTLUMXMVEMF-UONOGXRCSA-N 376.461 -0.126 30 20 GBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@@H]1C 1573285670 KXTMJAFMSZAWLX-GXTWGEPZSA-N 384.444 -0.368 30 20 GBED C#CCNC(=O)CN1CCC2(CC1)CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 1588354736 XTUFXHVJYZNNBH-UHFFFAOYSA-N 382.428 -0.518 30 20 GBED C#CCO[C@H](C)C(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[nH]n3)nc2)C1 1588355189 FYPAAWBOWOWWNS-FZKQIMNGSA-N 385.428 -0.253 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(c3cc(C)ncc3-c3nn[nH]n3)C[C@@H]2O)nn1 1588713125 GHKGKCGFJUXDLQ-DOMZBBRYSA-N 396.415 -0.673 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 1602984348 XCSJCINLVJYLBY-LBPRGKRZSA-N 391.461 -0.280 30 20 GBED N#CC[C@]1(O)CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)C1 1639946971 ZIAFQXYKWLRRGH-KSSFIOAISA-N 376.388 -0.395 30 20 GBED N#CCC1(O)CN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 1653390980 SSNNZRVGXXEDOS-UHFFFAOYSA-N 392.481 -0.379 30 20 GBED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)cc1 1778938708 FHUPTMMVSQTWDQ-LJQANCHMSA-N 381.392 -0.122 30 20 GBED CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1781789672 NWLYBKQLRQEVIE-RVZJWNSFSA-N 379.413 -0.887 30 20 GBED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2)C(F)(F)F 1783206199 CRAVYPPZUKGWPI-HUBLWGQQSA-N 377.363 -0.342 30 20 GBED NC(=O)c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1784933181 ZMYDMOXBOPUWEO-LJQANCHMSA-N 385.376 -0.683 30 20 GBED CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786696145 LPMSIHILIQSZQK-QPSCCSFWSA-N 391.472 -0.023 30 20 GBED CNc1nsnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791072893 HDKGIBCGYLLXNC-DCAQKATOSA-N 393.425 -0.739 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21 1791267171 YCKAFRCTXRJSAC-CYDGBPFRSA-N 381.454 -0.791 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C 1795586412 XBKRYCPNYPPULT-HLPPOEQASA-N 394.472 -0.549 30 20 GBED CC[C@@H](NC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598499 IGGADPDIKYBHGT-QKPAOTATSA-N 379.505 -0.144 30 20 GBED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2C[C@H](O)CN2)C3)cc1 1799643514 KWRBWGDPNKTXBS-PJVZLEMVSA-N 398.463 -0.321 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1ccnn1 1800263669 KQCMQFKWVZPLTG-GVRJEKJASA-N 375.429 -0.533 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCn1ccnn1)CC2 1825675148 VNNZKNBYUKKERX-SNVBAGLBSA-N 388.409 -0.175 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnn3)C2)C1 1831396913 SXSQNQGOUGOHPZ-DNVCBOLYSA-N 388.424 -0.415 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncn1-c1ccncc1)CCO2 1833656909 RXSFCEKEWNRHJD-HXUWFJFHSA-N 395.419 -0.030 30 20 GBED N#CCC(=O)N1CCC(N2CCC(NC(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1834736800 GSZIWTUNCQUXFM-OAHLLOKOSA-N 378.477 -0.936 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1834763368 DHPQCCUICIQIGP-OAHLLOKOSA-N 378.345 -0.698 30 20 GBED C#CC(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837835873 UHXIVFYXMXHFRG-UHFFFAOYSA-N 387.373 -0.657 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1840161186 HKVAYCFGZFBHMU-AUOONRHXSA-N 397.497 -0.404 30 20 GBED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1840292172 AJRLOZVZNWHONW-IBGZPJMESA-N 389.456 -0.072 30 20 GBED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1840292173 AJRLOZVZNWHONW-LJQANCHMSA-N 389.456 -0.072 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840842973 MGCLHLLTCVVVIH-KRWDZBQOSA-N 391.384 -0.199 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)CNC(=O)N(C)C)C1 1841135077 RQDSENIXDBRYHY-UHFFFAOYSA-N 380.445 -0.030 30 20 GBED COc1ccc(S(=O)(=O)N2CCO[C@@H](C#N)C2)cc1[C@@]1(C)NC(=O)NC1=O 264405808 RSMUKKIILMGMMN-MGPLVRAMSA-N 394.409 -0.337 30 20 GBED Cc1nc(C/C(N)=N/OCC(=O)NCCCN(C)S(C)(=O)=O)cs1 268617112 JROVCTFZTVCRRJ-UHFFFAOYSA-N 377.492 -0.319 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](S(C)(=O)=O)C1 282106711 KNHCNZLPZNVYPT-SMDDNHRTSA-N 385.467 -0.129 30 20 GBED C#CCNc1nc(N(C)[C@@H]2CCN(C)C2=O)nc(N(C)[C@@H]2CCN(C)C2=O)n1 287489218 YBQHFEWIAORFIT-CHWSQXEVSA-N 386.460 -0.750 30 20 GBED CN1CCN(CC(=O)N2CCC(C/N=C(/O)c3cnn(C)c3)CC2)CC1=O 329602913 LCOFTUWXBXJVRN-UHFFFAOYSA-N 376.461 -0.263 30 20 GBED CS(=O)(=O)N1CCN(CC(=O)N2CSC[C@H]2/C(O)=N/CC2CC2)CC1 329890899 GZSLBTGMPNSXEC-ZDUSSCGKSA-N 390.531 -0.168 30 20 GBED C[C@H]1CC(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N 349504245 MEJKWTUGEZVPJJ-NWDGAFQWSA-N 380.492 -0.910 30 20 GBED CN(C)CCCN(CCC#N)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 369014291 XIAUBUOJSBQGFT-QGZVFWFLSA-N 379.505 -0.139 30 20 GBED COC(=O)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 476900816 UZYONQGOFGOEFO-ZDUSSCGKSA-N 394.453 -0.458 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 509108701 IGZHYKGDNLOQIZ-AWEZNQCLSA-N 396.535 -0.303 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2nnc(C(C)C)s2)CC1 512070642 QZBXGKHXRNQJGY-UHFFFAOYSA-N 394.501 -0.276 30 20 GBED C[C@H](CNC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)S(N)(=O)=O 542890530 QJMWKPXAYSLZEJ-GFCCVEGCSA-N 394.453 -0.279 30 20 GBED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)CCC(C)(C)C#N 580545788 QVKVZKLSVHGTMD-LBPRGKRZSA-N 379.504 -0.119 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSCCC(N)=O)CC1 600610692 JXIYCDOWKZSJHB-UHFFFAOYSA-N 396.494 0.000 30 20 GBED CC#CC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 649190775 DHFHAXNWQWTOMW-CQSZACIVSA-N 379.438 -0.689 30 20 GBED C=CC[C@H]1CCCN(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)C1 668615787 YHPJCMWHHRXXHE-HNNXBMFYSA-N 386.518 -0.506 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 728589300 AONFXTULYIYRGD-UHFFFAOYSA-N 396.425 -0.341 30 20 GBED Cn1c(N2CCN(c3ccccc3C#N)CC2)c(-c2nn[nH]n2)c(=O)n(C)c1=O 737594788 AJNVBUYPMXBLDY-UHFFFAOYSA-N 393.411 -0.538 30 20 GBED C#CCC[C@H](O)CNC(=O)c1cc(S(=O)(=O)NC[C@@H](O)CCC#C)c[nH]1 798488235 KJZSTWAFHXHENE-KBPBESRZSA-N 381.454 -0.429 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1CCCO1 809307190 ADESEZVIRMGAMF-GJZGRUSLSA-N 387.396 -0.065 30 20 GBED C[C@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 846966630 GKHAMQAIJZDDHK-GFCCVEGCSA-N 379.508 -0.663 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3nn[nH]c3n2)C[C@H]1OC 946820012 LNLPOVHALJVHIB-QPKOPYBWSA-N 386.412 -0.100 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@H]1O 1023962665 ZASOALMMBVCKNU-XOUADPBQSA-N 390.440 -0.304 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc3n2CCOC3)C1 1024380449 MKPQFXWAYBFHQW-SHFYGJNESA-N 390.440 -0.304 30 20 GBED C#CCC1(C(=O)N2CC(O)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1044221975 SOQROUCUUOINQW-ALYAQQCSSA-N 388.464 -0.081 30 20 GBED N#Cc1ccc(CN2C[C@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)cc1F 1083775735 GDZXTPDRTFDGME-FXUDXRNXSA-N 376.388 -0.608 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](CC)NC(C)=O 1109749766 LHMPKEHKZXVGJQ-KBXIAJHMSA-N 379.461 -0.366 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCN1C(=O)CNC1=O 1110082644 XVYVTIWBESLXTA-RDBSUJKOSA-N 377.445 -0.658 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 1110890803 IOTAAXYWRUSAJS-KBXIAJHMSA-N 376.461 -0.506 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCC(C(=O)NCCOC)CC2)CC1 1120426526 PPBWMDPRNSFHOX-UHFFFAOYSA-N 381.473 -0.083 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Cn2ncn3nccc3c2=O)C1 1321037863 QWYDLYFXLIAONI-RYUDHWBXSA-N 387.400 -0.234 30 20 GBED CC(C)(C)OC(=O)N1CCN(CCNC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1323334124 UPNUORCMDCCAKK-CQSZACIVSA-N 395.460 -0.594 30 20 GBED O=C1CC2(CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)N1 1324223105 RMQLRSFPHUMGRS-UHFFFAOYSA-N 376.438 -0.004 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCN(CC)C(=O)[C@H]2CC)CC1 1325031743 LNGXMGHGJPBISK-OAHLLOKOSA-N 376.457 -0.556 30 20 GBED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCC[C@H](CC#N)C2)CC1 1327254275 GZRMKFYYKRKNAG-HUUCEWRRSA-N 375.473 -0.050 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N2CCN(CCOC)C(=O)C2)n1 1327259565 AQEAMTQWARKXKX-UHFFFAOYSA-N 375.429 -0.818 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 1329853387 CGWYVQONWLARKG-UHFFFAOYSA-N 397.453 -0.062 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1339920857 NQCBVBFBBKCTCU-ZDUSSCGKSA-N 378.520 -0.483 30 20 GBED N#Cc1ccc(OC2CN(C(=O)C(=O)NCc3nnnn3CC3CC3)C2)cc1 1343369286 ZIQWLNPKENKSFA-UHFFFAOYSA-N 381.396 -0.139 30 20 GBED N#Cc1nc(N[C@@H]2CCCN(CCN3CCOCC3)C2)cnc1-c1nn[nH]n1 1571245546 JWEKCXWJJXRDJP-CYBMUJFWSA-N 384.448 -0.263 30 20 GBED C#CCNC(=O)[C@@H](C)NCC1(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCC1 1573286028 RVCSORWHOCXMGD-GFCCVEGCSA-N 384.444 -0.035 30 20 GBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CN[C@H](C)C(=O)NCc2cnn[nH]2)C1 1575012660 FNMPZJDHCWGTAW-RBSFLKMASA-N 376.461 -0.467 30 20 GBED N#Cc1cc(C(=O)NC[C@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)c[nH]1 1581865205 FPXFICWRJMAJBH-LBPRGKRZSA-N 380.372 -0.508 30 20 GBED C#C[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 1588326505 NQLUMTCZOYHPTP-LBPRGKRZSA-N 389.441 -0.096 30 20 GBED C#CCO[C@H](C)C(=O)NC1(CN=c2cc[nH]c(-c3nn[nH]n3)n2)CCOCC1 1588355476 INOWMWDZGCLZNW-GFCCVEGCSA-N 386.416 -0.806 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(-c3nn[nH]n3)n2)CCO1 1592672484 KCXPHZUJAAMKSG-JTQLQIEISA-N 394.355 -0.863 30 20 GBED C#CCN1CCN(C(=O)Cn2c(C(F)(F)F)ccc(-c3nn[nH]n3)c2=O)CC1 1602722523 WJBFSGYFZNLULO-UHFFFAOYSA-N 395.345 -0.175 30 20 GBED C#CCNCc1cn([C@@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nn1 1602726392 QWRBJXYXEAYTPE-CQSZACIVSA-N 380.416 -0.014 30 20 GBED N#Cc1cn(CCNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)c(=O)nc1O 1606390040 KATJWCSSZOWVTE-UHFFFAOYSA-N 398.408 -0.091 30 20 GBED O=C(C#CC1CC1)N[C@H]1COC2(C1)CN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 1606457249 NWXVGXCAMHARBJ-CYBMUJFWSA-N 381.396 -0.292 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCCC(=O)O)CC2)c1C#N 1610567848 DPMOTFBGROWZNF-UHFFFAOYSA-N 376.417 -0.380 30 20 GBED N#Cc1ccsc1NC(=O)CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 1652967271 MJLQTMQCTXBGDM-STQMWFEESA-N 384.483 -0.666 30 20 GBED CC(=O)O[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C(C)C 1778803804 ZDLRRBMLEMHBQD-FUHWJXTLSA-N 380.397 -0.508 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(c1)CC(=O)N3)CCO2 1783563858 DAXYLKXQGWAAEW-FQEVSTJZSA-N 397.387 -0.287 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1 1786839342 BCZDSBBURPMHJV-VGWMRTNUSA-N 393.488 -0.603 30 20 GBED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)CCC(N)=O)cc1 1795533981 DVLUBZLLGNNGAP-DFGXFYAUSA-N 399.451 -0.646 30 20 GBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCNC2=O 1797322818 NIZYKARRMWWJLL-DRXBFXEBSA-N 386.412 -0.867 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncnn1C)C2 1799303820 CQUFWMMRRGBLKB-AGGWBTHJSA-N 391.428 -0.472 30 20 GBED C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1803672774 VLIICFMPPWYUOQ-UVBSCNOISA-N 386.408 -0.313 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812879594 CCTRZDDGKFLLHB-WTANOLMUSA-N 398.419 -0.134 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CCC(=O)N3)sc2C1 1814410679 KLVIPGUGMXCXAN-PSASIEDQSA-N 376.394 -0.578 30 20 GBED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831279834 SRSRAROQONNWPZ-MRXNPFEDSA-N 389.399 -0.210 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4csnn4)CCO3)C2)CC1 1831746459 UUVJRPXMWDQAMY-INIZCTEOSA-N 377.426 -0.088 30 20 GBED Cc1nnc(CC(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)s1 1834758791 XMHPBKMAIJMWJS-INIZCTEOSA-N 379.442 -0.241 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835397241 AHEICJUNDFAUPB-PXNSSMCTSA-N 395.500 -0.013 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839864714 KZAMMCWKYDYBJK-KSSFIOAISA-N 398.460 -0.491 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CCC1 1840815861 KICQQFWQKIPGID-SFHVURJKSA-N 375.381 -0.775 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1840841168 HBDCLPOJDIPFSP-LJQANCHMSA-N 388.424 -0.031 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)C[C@H](NC)C(=O)O)C2 1841054369 QHVAECLGEDTBDV-SZZPACECSA-N 378.429 -0.889 30 20 GBED CCn1c(N)c(C(=O)CN2CCN(c3ccc(C#N)cn3)CC2)c(=O)[nH]c1=O 60481502 FFWZGNSMIYXMTO-UHFFFAOYSA-N 383.412 -0.590 30 20 GBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1nc(C#N)c(C#N)[nH]1 266629997 WUHISRWGUNAFSE-QMMMGPOBSA-N 376.402 -0.191 30 20 GBED CCOC(=O)CN(CC(N)=O)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 268881074 XWPYEZLMISJCPA-NSHDSACASA-N 396.425 -0.898 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC[C@H](O)COC)cc1 270854683 KLTWVPQBCYUSLL-AWEZNQCLSA-N 399.469 -0.055 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 272999225 SEMUUSWCOIJPLO-UHFFFAOYSA-N 399.473 -0.150 30 20 GBED C#CCn1ccc(CN(CC)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)n1 278889260 DSIVMLLEUDFCJY-UHFFFAOYSA-N 383.412 -0.688 30 20 GBED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCn3cnc(C#N)n3)C2=O)cc1 286295272 PODXVZWUTXGDRP-GOSISDBHSA-N 397.395 -0.258 30 20 GBED Cn1c(N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)c(C#N)c(=O)n(C)c1=O 333210717 PRVRXMPQVAYLTI-ZDUSSCGKSA-N 375.429 -0.437 30 20 GBED CN(C)C1CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(CC#N)CC#N)C1 349483061 UXVPVIOXDVLENX-UHFFFAOYSA-N 397.482 -0.341 30 20 GBED N#CCC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)Nc2cn[nH]c2)C1 349607182 LJJUZVVFDPOQGR-UHFFFAOYSA-N 377.448 -0.778 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 374451146 UOQWRDYUDKKKLR-HNNXBMFYSA-N 388.490 -0.193 30 20 GBED CCN(CCC#N)S(=O)(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 409509968 LBBVVAYQFBUYHX-NSHDSACASA-N 381.501 -0.047 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCC(=O)N(C)C1=O 425093736 SMNIHSOEPYCIPA-MFKMUULPSA-N 378.410 -0.511 30 20 GBED Cc1oc(NC(=O)CN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c(C#N)c1C 438668074 MDPNNCDAFNSZPX-LBPRGKRZSA-N 382.442 -0.058 30 20 GBED C[C@@H](C(=O)N(C)CC(=O)N(CCC#N)CCN1CCOCC1)n1cccn1 499328707 HYRHUSHJCCGZIU-INIZCTEOSA-N 376.461 -0.023 30 20 GBED COC(=O)c1cc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c(F)cc1F 508351918 YEIMXVRUYRQVSZ-UHFFFAOYSA-N 378.295 -0.031 30 20 GBED CNC(=O)Cn1cc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cn1 517499254 GKZQMRLOOXLBHI-UHFFFAOYSA-N 390.425 -0.008 30 20 GBED COCCN1CN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1=O 559048126 UTTHQHLWGONMQH-UHFFFAOYSA-N 397.395 -0.339 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)O1 562178263 DLUWXLOIXOABMD-ZFWWWQNUSA-N 394.453 -0.411 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 728589320 AQPNGBUNSDMFOV-UHFFFAOYSA-N 379.438 -0.471 30 20 GBED N#C[C@@H](C(=O)[C@H]1Cc2ccccc2C(=O)O1)C(=O)N1CCS(=O)(=O)CC1 732909685 FKJHKSBWFIDJFC-UONOGXRCSA-N 376.390 -0.266 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)c2ccc(-c3nn[nH]n3)cc2F)C1=O 735426390 QKLVCXXOLAWNAS-UHFFFAOYSA-N 387.331 -0.055 30 20 GBED CC(C)NS(=O)(=O)CCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 746374587 GDFZNGSUBSBKEG-UHFFFAOYSA-N 388.471 -0.831 30 20 GBED CCNS(=O)(=O)CCNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 756936300 GMDKTFBBNLVNOL-LBPRGKRZSA-N 381.462 -0.492 30 20 GBED O=C(O)c1cn(C2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 780314714 HHJUTHDJYITOCK-UHFFFAOYSA-N 390.381 -0.902 30 20 GBED C[C@@H]1CCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](n2cncn2)C1 794524094 VKLZGWUOYVBQSF-ZYHUDNBSSA-N 395.445 -0.629 30 20 GBED C#CCCS(=O)(=O)NC(=O)c1sccc1S(=O)(=O)N1CCOCC1 810785483 JDBBYNDLXFFYAY-UHFFFAOYSA-N 392.480 -0.148 30 20 GBED C#C[C@@H](C)NS(=O)(=O)CCCCS(=O)(=O)Nc1nc2ncccn2n1 848967605 DBYAWVRRNAVULG-LLVKDONJSA-N 386.459 -0.413 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)cc1 855472266 XVZDEMXEAGQGSD-KBPBESRZSA-N 386.451 -0.860 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(C3CC3)n(C)n2)CC1 896748960 MMTXRJMXROFFEU-UHFFFAOYSA-N 380.474 -0.408 30 20 GBED CON=Cc1ccc(C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 916422866 BAFYNSYMWCQSAB-CYBMUJFWSA-N 397.409 -0.163 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccn(CCOC)n2)C1 969258026 RYZMWSIUBKCRRA-SIXLDLHFSA-N 392.456 -0.188 30 20 GBED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H]2CCS(=O)(=O)N2)[nH]1 1002883732 PQJFURGLFFNAAB-OXHZDVMGSA-N 377.426 -0.560 30 20 GBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1024401449 KIXCIVPFZFNKFY-OXHZDVMGSA-N 376.331 -0.566 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C[C@H]2O)cn1 1024928216 UEEHFQUGBXIHGU-YFHUEUNASA-N 379.420 -0.098 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CC3CC3)nn2)C[C@H]1O 1025710647 ZVPOCNDHNGAKAW-XOUADPBQSA-N 375.429 -0.419 30 20 GBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 1116907705 GCRDUUYIRDRCBG-MRXNPFEDSA-N 393.465 -0.250 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H](N)CCO2)C1 1118266676 LXNKMOUCJOAVEB-KKUMJFAQSA-N 387.502 -0.552 30 20 GBED C[C@@H](C(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1)n1cnc(C#N)n1 1298562858 PWQGVOXXJBHLIR-LBPRGKRZSA-N 391.457 -0.047 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N2C[C@@H](C(=O)OC)C[C@@H](O)C2)n1 1326544412 HWGRRXBNWDJJTO-DZGCQCFKSA-N 376.413 -0.753 30 20 GBED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)NC[C@@H]1CCCO1 1326698618 OQRQJCJLFZXPND-LBPRGKRZSA-N 392.441 -0.010 30 20 GBED C=CCn1c(-c2n[nH]c3c2CCCC3)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1328074566 UUXKDFBMJMCIFQ-GFCCVEGCSA-N 396.455 -0.120 30 20 GBED COC(=O)[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1350960332 IRJJXBPPXRBUSF-JYJNAYRXSA-N 398.419 -0.157 30 20 GBED C=CCn1c([C@H]2CC=NO2)nnc1N1CCN(CC(=O)NCCOC)CC1 1351818362 GISZNLGOGIKZHE-CQSZACIVSA-N 377.449 -0.204 30 20 GBED C#CCN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CCN([C@@H](CC)C(N)=O)CC1 1573282236 HBROFJWXTHDSLH-HNNXBMFYSA-N 384.444 -0.002 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[nH]n2)cn1 1573285244 FYQITDMOGWTBIK-VDERGJSUSA-N 393.455 -0.020 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575013415 OVRGEIAAANSJDC-INMHGKMJSA-N 388.472 -0.085 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(F)c2)CC1 1588353249 LXPSPNWDXUPUIA-UHFFFAOYSA-N 399.386 -0.068 30 20 GBED C#CCNC(=O)[C@@H](C)N(C)C[C@H]1CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588353364 PNGXCQMAWLCPSA-TZMCWYRMSA-N 384.444 -0.131 30 20 GBED Cn1ncc(C(=O)O)c1NC(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 1601022279 WIPOSAGCZWOZKJ-UHFFFAOYSA-N 383.368 -0.328 30 20 GBED N#Cc1cn(CC(=O)N2CC[C@H](C(=O)O)C[C@@H]2[C@H]2CCCO2)c(=O)nc1O 1601128695 BDRVQRBAQYXPKE-CYZMBNFOSA-N 376.369 -0.309 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC(C(=O)NCCO)CC1 1606337212 RQSUZDGCDYGELP-MRXNPFEDSA-N 397.439 -0.104 30 20 GBED N#CCOc1ccc(CNC(=O)C(=O)N2CCC([C@@H](O)C(=O)O)CC2)cc1 1610622577 AVDOTJLCCJHVOE-OAHLLOKOSA-N 375.381 -0.111 30 20 GBED CO[C@H](Cc1ccccc1)CS(=O)(=O)NCCn1cc(C#N)c(O)nc1=O 1670465766 PUHDJABJJDRCBT-OAHLLOKOSA-N 392.437 -0.002 30 20 GBED CCS(=O)(=O)NCCn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H](C)C#N 1710897632 VZDMEPCTEPOVBR-LBPRGKRZSA-N 385.494 -0.049 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N(C)C 1761502960 VDJLMIGJLBTVAH-RYUDHWBXSA-N 399.477 -0.905 30 20 GBED C[C@@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1784599106 BHVTXLKAIPSQIV-PCBIJLKTSA-N 387.440 -0.009 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc(Cl)cn3)[C@H]2C1 1787004915 MOHKXZXPSZMGFV-UBHSHLNASA-N 394.815 -0.396 30 20 GBED Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc(O)n1 1787457471 JSICDHPYUMMIHM-QEJZJMRPSA-N 387.392 -0.223 30 20 GBED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 1792172823 MYAFKPLJWDHIFW-IHRRRGAJSA-N 385.424 -0.418 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](O)C1 1797147452 RARWVDOXWZLFMS-JXQGNKELSA-N 377.441 -0.795 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC(CO)CC1)C2 1800773472 NJUDHYIMAOWLNI-XWBAMICWSA-N 378.425 -0.537 30 20 GBED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(O)O)CCO3)c1 1830403428 SCGQEABSCBVQTR-SFHVURJKSA-N 393.371 -0.922 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1831420517 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30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840466688 RSZCMZBGTDAWPP-DYVFJYSZSA-N 382.486 -0.263 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O 1848030372 SWAASUJWAIWOJZ-AVGNSLFASA-N 378.429 -0.687 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(CC(N)=O)CC2)cc1 47342542 XGCQATBSLBFFES-UHFFFAOYSA-N 380.470 -0.216 30 20 GBED CN1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 265669808 DEPLWYKVAPSCPQ-OAHLLOKOSA-N 391.453 -0.195 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(/C(O)=N/[C@@H]1CCCc3c[nH]nc31)C2 329855132 XBQMHMWEUJTQHO-GFCCVEGCSA-N 388.432 -0.337 30 20 GBED CN(c1ccc(C#N)nc1)S(=O)(=O)CCCS(=O)(=O)N1CC(C#N)C1 349495879 GEKJCRMVFYVDDW-UHFFFAOYSA-N 383.455 -0.105 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3nn[nH]n3)C2)c1 370863548 WOIPMYNEBIVGST-ZDUSSCGKSA-N 378.414 -0.122 30 20 GBED CCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)CCCOC)CC1 409502608 SUAGXEZNQQZAEC-UHFFFAOYSA-N 382.508 -0.549 30 20 GBED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(N)=O 530893573 JWECPYXCDFNWII-UHFFFAOYSA-N 399.457 -0.890 30 20 GBED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)cn3)c(=O)n2C)CC1 531630371 LPBUQMJDVPIKIP-UHFFFAOYSA-N 397.504 -0.183 30 20 GBED N#Cc1ccc(S(=O)(=O)CCNCCNS(=O)(=O)c2cccnc2)nc1 569095126 KIQBYEOKABIXIR-UHFFFAOYSA-N 395.466 -0.310 30 20 GBED CC(C)(C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N(CCO)CCO)cc1 569589668 AHWOLLIWIYYSBV-UHFFFAOYSA-N 391.471 -0.758 30 20 GBED Cn1nnc(CNS(=O)(=O)c2ccc(S(=O)(=O)NC3(C#N)CC3)cc2)n1 577510850 SAYNJUQVDHBOPQ-UHFFFAOYSA-N 397.442 -0.977 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](C)N(C)C3CC3)CC2)c1C#N 583280115 GMJXFKKRQFIUKL-CYBMUJFWSA-N 387.488 -0.152 30 20 GBED Cc1nsc(N2CCCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)n1 588128058 XWJXJWMVESFMSC-UHFFFAOYSA-N 391.501 -0.011 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC[S@](C)=O)CC2)cc1 741140864 NCJJDUVPONKUEI-VWLOTQADSA-N 397.522 -0.266 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(CC[S@@](C)=O)CC2)CC1 774684252 WIESHPZMFZBKRY-MRDQGFSESA-N 383.562 -0.325 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(C(=O)O)c(F)c1 776777619 UPRKXARHCHHHDH-UHFFFAOYSA-N 398.372 -0.376 30 20 GBED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1cccc(F)c1C#N 781595652 KBHZGTBMCVHSGI-CYBMUJFWSA-N 396.400 -0.371 30 20 GBED CC(C)CN1CCO[C@H](CNC(=O)C(=O)NCCNc2ncccc2C#N)C1 785395238 GPDKTFALTPVXPR-MRXNPFEDSA-N 388.472 -0.046 30 20 GBED Cc1nccnc1N1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787774475 ITRRMVXLNPITSE-UHFFFAOYSA-N 394.439 -0.071 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CSC[C@@H]2CCCCO2)CC1 831560892 KHCSDFZPFVMCKQ-AWEZNQCLSA-N 375.516 -0.100 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=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 831574266 BZDCAFZKOZHWFU-WRUYXWBYSA-N 375.494 -0.008 30 20 GBED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CNC[C@H]1C#N 834510479 BMJVZDDALPSXJJ-DOMZBBRYSA-N 394.453 -0.443 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)C1 838550757 AIPHSGPFLQILBL-YFKTTZPYSA-N 377.401 -0.341 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 875407765 NKMSXWKTYQENHK-QGZVFWFLSA-N 394.516 -0.556 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H]1C 990297739 RUCLTTNSZBCDOM-MQYQWHSLSA-N 378.429 -0.375 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 998612267 AQEHGAQDFUIHCT-MUGBGTHKSA-N 398.423 -0.130 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CC(=O)NC1=O 1005106666 ADWUXYKIPRZKBV-ZSAUSMIDSA-N 390.440 -0.233 30 20 GBED CCc1nc(C#N)cc(NC[C@@H](O)CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)n1 1106184607 MBKIMSBSPOLBIV-XZBIERFOSA-N 375.429 -0.149 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](C)OCCOC 1109790766 DTVJQLBEYKSFQM-KBXIAJHMSA-N 382.461 -0.229 30 20 GBED CNC(=O)Cn1cnc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)n1 1116531315 AIWRVXOYDRNTMK-UHFFFAOYSA-N 396.411 -0.817 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 1117472193 YOULIQHTULPAKD-LSDHHAIUSA-N 397.497 -0.554 30 20 GBED C=CCn1c(N2CCN(CCOC)C(=O)C2)nnc1C1(CO)CCOCC1 1121503292 GZSPGYKJRXYMRV-UHFFFAOYSA-N 379.461 -0.200 30 20 GBED C=CCCOCCNC(=O)C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 1261134635 CIXGECFORSNVEQ-ZDUSSCGKSA-N 379.417 -0.063 30 20 GBED O=c1c(C=NN[C@@H]2CCS(=O)(=O)C2)c(N2CCOCC2)nc2ccccn12 1317770655 ATXPUNKOOMBKOV-CYBMUJFWSA-N 391.453 -0.358 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 1323105383 UQWFQVNZTADERQ-LBPRGKRZSA-N 379.442 -0.289 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 1326805044 WXIISARFEFKCAF-UHFFFAOYSA-N 398.463 -0.514 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)cc2)C1=O 1327811597 YEZNBFOOTIVAHB-CQSZACIVSA-N 397.428 -0.236 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC(CCN3CCOCC3)CC2)C1 1328424538 DNHMWWUDMLBOJH-LJQANCHMSA-N 378.473 -0.176 30 20 GBED C=CCn1c([C@@H]2CCC(=O)NC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1342278618 IDKIJBAJXULBFW-CQSZACIVSA-N 387.488 -0.142 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[nH]n3)nn2)nc1 1573288062 MKIJSWRKHSKJJL-CYBMUJFWSA-N 391.395 -0.332 30 20 GBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nn1 1573349112 ZAHMTVQRHXGMKO-JTQLQIEISA-N 382.388 -0.383 30 20 GBED C#CCNC(=O)CN1CCC(NC(=O)C2CCN(Cc3cnn[nH]3)CC2)CC1 1575005141 VYXCPNNEVZVJLI-UHFFFAOYSA-N 387.488 -0.653 30 20 GBED C#CCOCCC(=O)NC[C@H]1CCCN(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575014232 YUUDWSGYEDDUFH-CQSZACIVSA-N 390.444 -0.794 30 20 GBED N#Cc1ccc(N2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H](O)C2)nc1 1581871117 HPGLHOUNPYYBCE-FZMZJTMJSA-N 379.384 -0.169 30 20 GBED N#Cc1ccc(N2C[C@H]3C(CNC(=O)c4ccc(-c5nn[nH]n5)[nH]4)[C@@H]3C2)nn1 1581871502 XQCGJJPRXIJYOC-RYUDHWBXSA-N 376.384 -0.031 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2OC)CC1 1588484291 ZYSXRYWYNDEWLF-UHFFFAOYSA-N 395.437 -0.551 30 20 GBED N#Cc1ccc(S(=O)(=O)NCCn2cnc(-c3nn[nH]n3)n2)cc1Cl 1592696685 RNMSLDANJSVBNZ-UHFFFAOYSA-N 379.793 -0.038 30 20 GBED N#C[C@]12CN(S(=O)(=O)[C@@H]3CCCC[C@@H]3C(=O)O)C[C@H]1CS(=O)(=O)C2 1601079426 CLMHDBABUCKEPI-CIQGVGRVSA-N 376.456 -0.170 30 20 GBED C=CCn1cc(C(=O)N2CCCN(c3nccnc3-c3nn[nH]n3)CC2)nn1 1602882207 CDUXOVSOWGEELB-UHFFFAOYSA-N 381.404 -0.213 30 20 GBED CN1CCN(C(=O)[C@H](Cc2ccccc2)Nc2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1640412314 WBTLWXFRWJBMKQ-INIZCTEOSA-N 396.451 -0.258 30 20 GBED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779124421 JFFQRKXZHIRPND-IBGZPJMESA-N 388.424 -0.044 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)nc(O)n4)CCO3)C2)c1 1780334084 GNKPYLTXABOGAL-SFHVURJKSA-N 398.379 -0.155 30 20 GBED NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1783147679 GDSBXOFIYGHGAI-FQEVSTJZSA-N 391.468 -0.220 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)CC1 1783980542 VKTWKLHXUUXDIM-HNNXBMFYSA-N 388.346 -0.201 30 20 GBED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CN)[C@H]4C3)c2c1 1786799346 VVFFLQLKKAPQHI-NOLJZWGESA-N 382.424 -0.013 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21 1791072966 IXDOQQZJFGTVFA-KKUMJFAQSA-N 395.481 -0.897 30 20 GBED CCOc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1792381950 MHINGTDXIQFFBG-FVCICTRLSA-N 387.392 -0.229 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCN1C)C2 1792484209 AVZCIZGVGAEISC-XCQGWFOSSA-N 390.484 -0.471 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(=O)c2cccnc2)C3)CC1 1795408391 ZPPWZGQKOXUJBH-SCAQPMJSSA-N 397.435 -0.295 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNCP(=O)(O)O 1795963159 ZSVGKKIWNIVZBR-FQUUOJAGSA-N 387.373 -0.612 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200963 SRDBKVJKRDQJOV-JQWIXIFHSA-N 390.400 -0.063 30 20 GBED C#CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN(CCO)CCO)CC2 1828099206 TXZVXOYKKTZKEY-ZDUSSCGKSA-N 394.497 -0.245 30 20 GBED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1834771706 VACMJTXJEYYWLI-DUMMIQTOSA-N 379.413 -0.134 30 20 GBED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)CC1 1839898485 BNRINVXYOSXSSP-MLGOLLRUSA-N 386.470 -0.286 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H](CC)NC(N)=O)C2 1841054383 RUQXYZFNHILSRN-FWWRYZNZSA-N 377.445 -0.505 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](O)CN2CCOCC2)cc1 267716733 RQYZEAVTHRNYAG-MRXNPFEDSA-N 397.497 -0.084 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](CO)[C@@H]1CCOC1 280544558 SZNLNIYHQNFCSC-CFVMTHIKSA-N 381.454 -0.014 30 20 GBED CNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 283559638 PACHAUNZMGILGI-UHFFFAOYSA-N 378.863 -0.018 30 20 GBED CCc1nn(C)cc1N=C(O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 329184945 PZGWZKALVGPZPN-UHFFFAOYSA-N 386.478 -0.277 30 20 GBED Cc1cc(N2CC[C@@H](/N=C(/O)N3CCc4nn(C)c(=O)cc4C3)C2=O)n(C)n1 329814234 UHGIFAVNJVCVTJ-CQSZACIVSA-N 385.428 -0.100 30 20 GBED C=CCCN(C)C(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 410841405 JLYILOGZRYZQPD-AWEZNQCLSA-N 375.491 -0.080 30 20 GBED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 438309146 XPFFUMXDHXPGKF-OAHLLOKOSA-N 391.476 0.487 30 20 GBED CN1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 443098624 AXWJCCANSKNETC-UHFFFAOYSA-N 381.414 -0.091 30 20 GBED N#CCC1(O)CN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 476823420 NWWKITRLVQQYQX-UHFFFAOYSA-N 385.467 -0.202 30 20 GBED Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)Cc1noc(C)c1C#N 477608460 JHDQPEUDJBADNQ-UHFFFAOYSA-N 385.427 -0.038 30 20 GBED N#Cc1cccc(CNC(=O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 521194460 SPKKKMYFVLVZAJ-UHFFFAOYSA-N 399.451 -0.823 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCS(=O)(=O)C[C@@H]3C)CC2)o1 526965405 JWVZANDHTZVAKV-LBPRGKRZSA-N 381.458 -0.378 30 20 GBED C[C@H]1C[C@@H](O)CN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 530519030 AWCFGIIYCRZUDZ-GOEBONIOSA-N 392.481 -0.154 30 20 GBED Cn1ccnc(N2CCN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)CC2)c1=O 559473998 LJVODWFVGGWDLE-UHFFFAOYSA-N 392.419 -0.110 30 20 GBED C[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)S(C)(=O)=O 572069656 PKINKFIQCCHKBT-LBPRGKRZSA-N 379.442 -0.849 30 20 GBED C[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1)N(C)C 594617449 RXNOMQQBPRLOEX-ZDUSSCGKSA-N 399.498 -0.047 30 20 GBED CC(C)(C#N)C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 598593910 CSOYKUONVSOXGH-GFCCVEGCSA-N 384.458 -0.014 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc(NC(N)=O)cc2)C1=O 726042321 HNZYNJOYQRFJCX-UHFFFAOYSA-N 388.336 -0.120 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(CCC(=O)NCC(=O)O)CC2)cc1 739130175 MKVKNGYFFLFUTL-UHFFFAOYSA-N 380.426 -0.545 30 20 GBED C[C@@H](CC(=O)NCCN1CCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742500786 HATYTDHUUGHLAR-AWEZNQCLSA-N 393.513 -0.133 30 20 GBED C[C@@H](OC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)Nc1ccccc1C#N 748430231 VGVLSQRDAGHKPU-SNVBAGLBSA-N 377.382 -0.027 30 20 GBED C#CCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 763016696 QEJOAJUBWWADOQ-CYBMUJFWSA-N 378.454 -0.770 30 20 GBED COCCNC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 784212302 OFSOZGIPWAUITA-RYUDHWBXSA-N 383.426 -0.081 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1 808159842 KWWYPVLJACIUTA-CVEARBPZSA-N 377.466 -0.121 30 20 GBED Cn1cnc2c1c(=O)n(CCCOC(=O)[C@@](C)(C#N)CC(=O)O)c(=O)n2C 821310666 LMLTWFTXMBDPFW-MRXNPFEDSA-N 377.357 -0.628 30 20 GBED N#CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)CC1 826381819 AGEZECSIUOVXFV-UHFFFAOYSA-N 378.374 -0.395 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)NCC1(N2CCOCC2)CCOCC1 829644532 TWXPNLJIVTWBJW-UHFFFAOYSA-N 381.473 -0.518 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CCNC(=O)C2CCCCC2)CC1 831560560 BMSORIDOKXUHJG-UHFFFAOYSA-N 384.502 -0.315 30 20 GBED COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN(CC#N)CC(=O)O)C2=O)c1 832539377 CZCFFFCTVKJNGT-KRWDZBQOSA-N 389.368 -0.596 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)c3cn(C)c(O)n3)C[C@@H]21 960979352 YMRHFVYEXWMPDB-UQOMUDLDSA-N 376.413 -0.231 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CCN(C(C)=O)CC2)C1 1023661709 BZXCNPKSVRAYBU-VQHPVUNQSA-N 379.457 -0.476 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1(C(=O)NC)CC1 1109836777 AHGHJBCEZLVKGW-ILXRZTDVSA-N 375.473 -0.004 30 20 GBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(CNCC(=O)NCC#N)C1 1112530807 OPZPELZWFDSEJI-YGTYGHESSA-N 375.473 -0.431 30 20 GBED C=CCN(C(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)[C@H](C)COC 1118612109 CYSODNFABDSVEZ-CQSZACIVSA-N 389.518 -0.339 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CCO1 1251683290 MXHDGSNQOKPGRF-OAHLLOKOSA-N 392.437 -0.389 30 20 GBED NC[C@]12CCC[C@H]1CN(C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C2 1261523193 QCCQLKMOTDHIKY-CBIKCGGVSA-N 375.429 -0.784 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 1323008258 HUHWHPDRHWYRSQ-NSHDSACASA-N 383.417 -0.316 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 1323698041 GVCSAAIULDHRSZ-UHFFFAOYSA-N 387.436 -0.132 30 20 GBED CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)c1 1326106343 CYJWHVGQTSIUEK-MRXNPFEDSA-N 380.426 -0.912 30 20 GBED Cc1nnc(CNS(=O)(=O)c2ccc(S(=O)(=O)N(C)CC#N)cc2)n1C 1327682101 KJBVOSLDZOVRHB-UHFFFAOYSA-N 398.470 -0.254 30 20 GBED CCN(CC)C(=O)N1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 1332038218 DGZXWOOIXIEWKJ-UHFFFAOYSA-N 378.477 -0.350 30 20 GBED COCC(COC)N1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 1460240122 WUDKFQMNGWGTMS-IBGZPJMESA-N 395.548 -0.042 30 20 GBED CCCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1515117392 KZZVMWFWRIANHU-CYBMUJFWSA-N 375.433 -0.345 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2COCCN2)nnc1N1CCN(CCOC)CC1 1574936158 HMJOKNZXJXPNNR-HNNXBMFYSA-N 393.492 -0.990 30 20 GBED C=CCNC(=O)CN1C[C@@H]2CN(C(=O)CCOCc3cnn[nH]3)C[C@]2(C)C1 1575108324 JLIVSFQMSASVRS-KDOFPFPSSA-N 376.461 -0.206 30 20 GBED COCC#CCNCC1(O)CCN(C(=O)[C@@H]2CCCN2Cc2cnn[nH]2)CC1 1576953120 MCJSRNZPRCTZGN-KRWDZBQOSA-N 390.488 -0.638 30 20 GBED N#Cc1nccnc1N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1581885785 MTOXKDJDENHREM-JTQLQIEISA-N 380.372 -0.508 30 20 GBED C#CCOCCC(=O)N1CCCO[C@@H](CN=c2cc[nH]cc2-c2nn[nH]n2)C1 1588359001 FWMMILKMIYBFTO-AWEZNQCLSA-N 385.428 -0.247 30 20 GBED C#Cc1ccc(C(=O)NC[C@@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)nc1 1588371762 UBWZAOQGFFYYKN-SFHVURJKSA-N 391.395 -0.596 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CCN1C1CC1 1592672701 MTLOKNRJXRZMRE-CQSZACIVSA-N 398.402 -0.179 30 20 GBED C=CCn1cc(C(=O)NCC2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nn1 1602882285 GQSQYHHLXXGVOM-UHFFFAOYSA-N 382.388 -0.526 30 20 GBED O=C1c2ccccc2C(=O)N1CC#CCNC1(C(=O)O)CCS(=O)(=O)CC1 1609047181 PGMSYONSVIQKAI-UHFFFAOYSA-N 390.417 -0.092 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cn2ccnc2)C(=O)O)c1 1609162335 VFYGNNIDNOXDLO-AWEZNQCLSA-N 376.394 -0.322 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](CO)CC1OCCO1 1644726622 JSTUCXPSZVHMDM-AAEUAGOBSA-N 383.426 -0.535 30 20 GBED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 1786703542 UHNYWTMIUHKUPB-OBJOEFQTSA-N 399.411 -0.685 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1)C2 1792485598 DRSKUFUBLRLKIE-DUGXABPWSA-N 390.484 -0.470 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)C=C)C2 1793343907 BFMICLVQFNDELN-JGFGOLAASA-N 377.441 -0.695 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1 1796297313 KGFYOMSUEHHSEJ-BTTYYORXSA-N 376.417 -0.179 30 20 GBED N#CCCC(=O)N1CCCC2(CCN(C(=O)CN(CCO)CCO)CC2)C1 1809513536 MOWVKWVVGPFUND-UHFFFAOYSA-N 380.489 -0.192 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2 1831022906 DDOAJOOMTRSTEV-SFHVURJKSA-N 379.413 -0.692 30 20 GBED CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1831276607 PZAUEDYWJPPTEI-RDTXWAMCSA-N 398.460 -0.620 30 20 GBED CC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834716366 RCLJCNKDZRKXLR-KFHPEUNCSA-N 397.428 -0.439 30 20 GBED C[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)n1cncn1 1835347631 AECBALZQWPYXSO-KSSFIOAISA-N 388.428 -0.401 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839867417 JWKURUTTXIDBEU-QIIPPGSGSA-N 399.513 -0.467 30 20 GBED O=C(C/N=C/c1ccco1)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846033918 HMVMKSCORMDSCS-RGVLZGJSSA-N 392.456 -0.812 30 20 GBED C/N=C(/NC[C@H]1CCCN1S(C)(=O)=O)N[C@H]1CCc2nc(COC)nn2C1 262021875 ZARAVBYDMYEXBZ-QWHCGFSZSA-N 399.521 -0.672 30 20 GBED N/C(CN1CCOCC1)=N\OCC(=O)NCc1cccc(C(=O)NC2CC2)c1 268603060 SXKUHFSNUNNZIG-UHFFFAOYSA-N 389.456 -0.184 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCC(=O)N(C)CCc1ccccn1 282686765 OXYKSWDDKPZEGU-UHFFFAOYSA-N 383.474 -0.221 30 20 GBED C[C@H]1CN(/C(O)=N/[C@H]2CCCN(S(C)(=O)=O)C2)CCN1S(C)(=O)=O 329294651 SDSNHQNGBGXTQI-RYUDHWBXSA-N 382.508 -0.710 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)CC1 349476150 OKPVIIXLOPWRKS-RYUDHWBXSA-N 390.487 -0.965 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@]2(CCOC2)C1 349496355 MVCOLMXCEATSLC-KBPBESRZSA-N 379.504 -0.008 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CC23CCOCC3)CC1 349560549 YRDUEUTVDOEHKW-LBPRGKRZSA-N 377.488 -0.159 30 20 GBED N#C[C@]1(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCOC1 478656425 WXCXYFDOZLZWDR-MRXNPFEDSA-N 378.410 -0.780 30 20 GBED C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N(C)CCCc1[nH]nc(N)c1C#N 534099494 OWYGOTVFXTZHBM-NWDGAFQWSA-N 382.490 -0.238 30 20 GBED COCCNC(=O)[C@H](Cc1ccccc1)Nc1c(C#N)c(=O)n(C)c(=O)n1C 559422491 GJSJSIJZCOJGTD-HNNXBMFYSA-N 385.424 -0.259 30 20 GBED CCCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC(N)=O)cc1 565666621 MTIUPLHVPDSLGF-UHFFFAOYSA-N 388.471 -0.283 30 20 GBED CC(C)[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC(N)=O)cc1 582974595 GQYOTDKSHMARSE-CYBMUJFWSA-N 388.471 -0.381 30 20 GBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 592320828 FKYMZXUIXLEHPW-ZYHUDNBSSA-N 377.401 -0.169 30 20 GBED CCN1CC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1=O 594626716 BQWKZTUGTLGSFG-ZDUSSCGKSA-N 386.455 -0.612 30 20 GBED CN(C)S(=O)(=O)NCCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 596614786 YGHBWMICYMTRDA-UHFFFAOYSA-N 381.462 -0.819 30 20 GBED CS(=O)(=O)NC1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 600339213 HLBWJJBIZNFPFK-UHFFFAOYSA-N 386.455 -0.748 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CC(N)=O 608911611 LQPVEALJXFFIDZ-UHFFFAOYSA-N 384.461 -0.267 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCc2cc(S(N)(=O)=O)ccc2F)CCO1 619710120 JIPRQPNWVLOTEI-SNVBAGLBSA-N 378.407 -0.968 30 20 GBED COc1ccc(S(=O)(=O)NCCC(=O)N(CC#N)CC(=O)O)cc1OC 738059530 CJIYQSNJKQIWFV-UHFFFAOYSA-N 385.398 -0.191 30 20 GBED COCCS(=O)(=O)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 744125787 SIUICXAOCUHFSR-SNVBAGLBSA-N 389.455 -0.404 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@@H](O)C(=O)OC)CC2)c1 747521543 XCOAIJXLRDHDKC-MRXNPFEDSA-N 394.449 -0.016 30 20 GBED CS(=O)(=O)N1CCN(S(=O)(=O)N(CCC#N)Cc2cccnc2)CC1 754318597 SUMRAGDTCXYXOD-UHFFFAOYSA-N 387.487 -0.381 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1Cn1cc(S(=O)(=O)N(C)C)cn1 756877625 XHVXSWKKPAXYPC-CYBMUJFWSA-N 390.473 -0.037 30 20 GBED C[C@H](OC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)N(C)CCC#N 785653664 BWVOVCVXUVFHEZ-LSDHHAIUSA-N 380.445 -0.529 30 20 GBED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)C(=O)NC 788177262 QXNROJWRAOYHLI-QWHCGFSZSA-N 396.469 -0.493 30 20 GBED C=C(CO)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 791298243 CBZSRPUPULPJAD-UHFFFAOYSA-N 385.398 -0.015 30 20 GBED CC(=O)N1CCN(S(=O)(=O)NC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 813947693 TXMLICVLNFDXNJ-LBPRGKRZSA-N 380.426 -0.149 30 20 GBED O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(O)C1=O 820471053 LWLSGGZZIFSMCS-AAVRWANBSA-N 396.444 -0.214 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](CC(=O)O)C1 827759922 CSDPZYZYYPRUQG-YPMHNXCESA-N 381.410 -0.073 30 20 GBED COc1cccc([C@@]2(C)NC(=O)N(N=Cc3cn(C)c(=O)n(C)c3=O)C2=O)c1 839400042 GABYQDFYKFJPNP-GOSISDBHSA-N 385.380 -0.106 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@H]1OC 946818987 STAWXCCUDQNHSY-LUYZLQTOSA-N 390.440 -0.329 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@@H]1O 964489976 PEMGQVKHZFILMX-CRWXNKLISA-N 388.486 -0.521 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cnc(O)n(C)c2=O)C[C@H]1C 994641193 AKAZUIBCQIDEQD-BHPKHCPMSA-N 390.440 -0.099 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccnc2C(N)=O)C1 1024011759 FMSOWCLNKHMUIC-NHIYQJMISA-N 388.424 -0.537 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2O)CC1 1024130033 AUGHJWCAPZCYEW-YDWBTVLJSA-N 387.480 -0.557 30 20 GBED C#CCNC(=O)CC(=O)N1CC2(C[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CO2)C1 1069052967 NEEAAMFRUDNPJC-YJNKXOJESA-N 375.425 -0.821 30 20 GBED C=CCOCC(=O)NCC1(O)CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1074668867 TXBPJEKZMKBBTM-YQQAZPJKSA-N 382.457 -0.290 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(-n3cncn3)nc2)C1=O 1117011158 LKIJDJRTRJYBIL-CQSZACIVSA-N 383.412 -0.476 30 20 GBED C=CCn1c([C@@H]2SCCNC2=O)nnc1N1CCN(C(=O)COC)CC1 1121503672 PUFNSDYUFNQZRQ-ZDUSSCGKSA-N 380.474 -0.337 30 20 GBED C[C@H]1Oc2c(cccc2C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)NC1=O 1122496923 RYSZNLDBFTVPLM-PWSUYJOCSA-N 391.405 -0.015 30 20 GBED C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1 1171943269 PGRWXDKEJUXOIR-DFBGVHRSSA-N 375.404 -0.021 30 20 GBED CC(C)n1nccc1C=c1sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c1=O 1256376474 DDZCDIZOYWECHV-UHFFFAOYSA-N 391.478 -0.242 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)CCN1C1CC1 1261860713 FNDOAHIPQLTBLK-NVXWUHKLSA-N 375.473 -0.634 30 20 GBED CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)Nc2ccc(OCC#N)cc2)C1 1322951449 JFOYIIIFGZNWDS-LBPRGKRZSA-N 380.426 -0.075 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 1323001512 BBMDCSWXLLVBBV-UHFFFAOYSA-N 397.453 -0.283 30 20 GBED CN(CCNC(=O)C(=O)N1CCO[C@H](C#N)C1)S(=O)(=O)c1ccc(F)cc1 1326143435 AGVBMNPQZJNYAS-CYBMUJFWSA-N 398.416 -0.687 30 20 GBED Cc1cc(N2CCS(=O)(=O)CC2)c(C#N)c(N2CCS(=O)(=O)CC2)n1 1327267583 IVOFFASPGFVOSW-UHFFFAOYSA-N 384.483 -0.269 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)n1 1327562418 OHMZXEVCBNOJBH-CYBMUJFWSA-N 381.458 -0.985 30 20 GBED COC(=O)C1(C#N)CCN(C(=O)C(=O)N2CCN([C@@H]3CCOC3)CC2)CC1 1328289943 SGTKFPMVNYGTDF-CQSZACIVSA-N 378.429 -0.775 30 20 GBED N#Cc1ncn(CC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)n1 1337239390 OSXGEFOQTXBFNO-UHFFFAOYSA-N 384.425 -0.436 30 20 GBED N#CCNC(=O)CNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1346131415 NLPFGJNZTTXCOZ-UHFFFAOYSA-N 386.455 -0.933 30 20 GBED CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C(N)=O)CCOCC1 1516608768 JAZBBSQMGUFVTJ-ZDUSSCGKSA-N 378.433 -0.175 30 20 GBED CN(CCS(N)(=O)=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1564690769 XODZISVMLWPWLE-AWEZNQCLSA-N 379.442 -0.411 30 20 GBED C#CCNC(=O)CNC[C@@H]1CCCC[C@@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573286257 XCQTYOAPRCDYIS-JSGCOSHPSA-N 384.444 -0.178 30 20 GBED C#CCOc1ccc(C(=O)NC2CN([C@H](C)C(=O)NCc3cnn[nH]3)C2)cc1 1575012568 CGZLLDPNNYMNNH-CYBMUJFWSA-N 382.424 -0.064 30 20 GBED C#CCOCCC(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H](C)OCc1cnn[nH]1)C2 1575013141 MHZNFLHTVAPDCA-KBMXLJTQSA-N 375.429 -0.049 30 20 GBED C[C@@H](OCc1cnn[nH]1)C(=O)NC[C@H]1CN(c2cncc(C#N)n2)CCCO1 1575862511 LCKXWNROAKJIKB-DOMZBBRYSA-N 386.416 -0.217 30 20 GBED N#Cc1nccnc1N1CC[C@@H](NC(=O)c2ccc(-c3cnn[nH]3)cn2)[C@H](O)C1 1577719737 YMCWKMBGGSLYCN-MLGOLLRUSA-N 391.395 -0.102 30 20 GBED C#CCNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1C 1588353161 IZFZWMUIKJYNHC-FRRDWIJNSA-N 384.444 -0.370 30 20 GBED C#CCNC(=O)CN1CC[C@]2(CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 1588354723 XCZKEJJEQQABND-SFHVURJKSA-N 382.428 -0.518 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)O)c2ccn(C)n2)cc1 1588486312 SEEUMPAUYFJJRS-CQSZACIVSA-N 376.394 -0.113 30 20 GBED COC(=O)CN1CCN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)CC1 1591267880 LJPBKYYHLUDCJH-HNNXBMFYSA-N 383.412 -0.134 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@@H]2O)c1 1602745586 KHBOTHFJKSEQGE-ZBFHGGJFSA-N 376.380 -0.383 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1602756378 MELOYWOCVUFXDT-CHWSQXEVSA-N 385.432 -0.438 30 20 GBED O=C(O)[C@@H](O)C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1608554494 QJTAUMLKZGUNSA-HNNXBMFYSA-N 395.437 -0.201 30 20 GBED CCOC(=O)[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC12COC2 1633933389 ASSSDCPRDWPLHK-GFCCVEGCSA-N 376.369 -0.751 30 20 GBED O=C(O)CNS(=O)(=O)c1ccc(C=NN[C@@H]2CCS(=O)(=O)C2)cc1 1776011953 FMZINNRNUKKWPH-LLVKDONJSA-N 375.428 -0.840 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782659096 LVTIUEFWFHJGDU-DNVCBOLYSA-N 390.440 -0.336 30 20 GBED CC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1783139966 ILZWPIDUJJLRBE-CPIJOOSUSA-N 396.444 -0.519 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccnc1S)CCO2 1783556626 SZPQRVKPDCIZQO-KRWDZBQOSA-N 375.406 -0.098 30 20 GBED COc1nccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1F 1783563238 YXHYMDNFCYFZJE-GOSISDBHSA-N 391.355 -0.239 30 20 GBED NC(=O)[C@@H](N)CCC(=O)Nc1ccc(C2(NC(=O)C#CC(=O)O)CCC2)cc1 1788058760 FSMVONWPQSRVHB-AWEZNQCLSA-N 386.408 -0.199 30 20 GBED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4C[C@H](O)CN4)C[C@@H]32)c1 1789510622 IZWHVSAHDWPMGH-VMXHOPILSA-N 398.463 -0.126 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4nccn4)[C@H]3C2)c1 1789971363 FZLDWWDZLOBWIQ-DZKIICNBSA-N 383.412 -0.229 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4cccnc34)C[C@@H]21 1791077068 ZNZVENMKVUBKSC-QEJZJMRPSA-N 397.391 -0.589 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C=CCN1 1796313121 MPVBJQJMHZHBMA-IVSAIRAKSA-N 377.441 -0.387 30 20 GBED COC(OC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797780961 KSCBUUXSRPWAGX-SCAQPMJSSA-N 394.468 -0.107 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 1798393245 LRXPWPBWDVLQBY-ZUWCUPBKSA-N 392.456 -0.204 30 20 GBED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NNC(=O)C2)C3)c1 1799801071 KBNZPXFDLGSHNE-JLVBRIDZSA-N 395.419 -0.054 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCCC2(CCN(C(=O)[C@@H](N)CN)CC2)C1 1809774084 FZRHULSZSHNUEL-HNNXBMFYSA-N 378.521 -0.215 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](N)CN)CC1 1827581134 IWQHVUFACYUNMJ-YHLLGKTKSA-N 391.516 -0.250 30 20 GBED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830049523 AEBOVSMGGDYFML-DNVCBOLYSA-N 394.472 -0.093 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CC)CCO2 1830510857 XMLHXQRGWJBZGU-OHLRXGENSA-N 395.456 -0.928 30 20 GBED N#CCC(=O)NC1CCN(C2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1834400557 VZKARXRQDVBFNW-IBGZPJMESA-N 393.488 -0.878 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1834758681 UMKXOQZLXSYCSS-VQIMIIECSA-N 387.440 -0.158 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](N)c4ccccn4)C3)C2)CC1 1835342774 PKAYCESTRIKHJV-UZLBHIALSA-N 399.451 -0.158 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)[nH]n3)CCO2)C1 1838655897 IHNBKFGXNJZHTO-DNVCBOLYSA-N 390.440 -0.174 30 20 GBED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1839887503 GKVCPORDSWCERK-HNNXBMFYSA-N 389.403 -0.863 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CCOCC3)C2)C1 1840041397 KWMCGHLTVUSODP-IBGZPJMESA-N 394.424 -0.653 30 20 GBED CO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840206420 VGPBBRMZQOJNAV-BEFAXECRSA-N 396.488 -0.240 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCN1CCOCC1 1847263247 OOZQZBFUOXDETL-QCDWVSHVSA-N 390.484 -0.231 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2n(n1)CCCNC2=O 1847802348 TXLKBRIDYQUIKI-KBMXLJTQSA-N 399.451 -0.130 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 268928262 WOQVCFCGBUFLPT-GFCCVEGCSA-N 398.489 -0.565 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN3CCN2CC3)cc1 269534421 IEWOLOABEKNEMJ-OAHLLOKOSA-N 377.470 -0.392 30 20 GBED CNS(=O)(=O)CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 275902159 UJWQFMHTJUNAFJ-AWEZNQCLSA-N 379.442 -0.098 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1cc[nH]n1 276554650 IHAKBMNLGNPEPZ-LVOBAJNXSA-N 388.446 -0.027 30 20 GBED COCCn1cc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1 288699594 DZLNLQAWGCTRIM-UHFFFAOYSA-N 397.439 -0.239 30 20 GBED Cn1ccnc1N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 290370954 BFQYPBQUXAZYHW-UHFFFAOYSA-N 388.453 -0.081 30 20 GBED COCCN1CCN(C(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CC1 297809158 LQKOCBKUIJWHFJ-UHFFFAOYSA-N 385.468 -0.003 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC(O)(C(F)F)C1 349458982 UJTUJGRZYQZEDK-UHFFFAOYSA-N 381.382 -0.511 30 20 GBED C[C@H](C[S@](C)=O)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 349484357 YIYWCKWQCJWFFD-XFNZEKPQSA-N 393.512 -0.124 30 20 GBED CCN1CCCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)CC1=O 349495574 MCZGNUCFEKOJDL-UHFFFAOYSA-N 392.503 -0.764 30 20 GBED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1CCOCC(F)(F)C1 349610416 JOZPPMQHJIQOPY-UHFFFAOYSA-N 375.419 -0.493 30 20 GBED C#CCCCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 378137050 DFEZEOMPQWQWRY-KBPBESRZSA-N 375.429 -0.013 30 20 GBED C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 409556593 XOJXPHXKOBLDFL-YPMHNXCESA-N 388.471 -0.204 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCC(F)(F)CN)C[C@@]12C(=O)Nc1ccccc12 420152754 PNWSRBYZSUMPHT-DYZYQPBXSA-N 377.351 -0.431 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCN1CCSCC1 460608040 IZDKZQRLWKHMHD-UHFFFAOYSA-N 399.480 0.551 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCNC(=O)c1cnccn1 464959319 HSMVFLKAOKMOSJ-ZDUSSCGKSA-N 395.427 -0.212 30 20 GBED C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N(C)CCCc1[nH]nc(N)c1C#N 534099495 OWYGOTVFXTZHBM-RYUDHWBXSA-N 382.490 -0.238 30 20 GBED CCC[C@H](C)C(=O)NCCNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 599067125 AXKYNUBKLHNIQM-NSHDSACASA-N 376.417 -0.061 30 20 GBED C=CCCn1cc(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)nn1 653580763 CFIKCCRIYREGFJ-OAHLLOKOSA-N 396.517 -0.725 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N2CCC(C(=O)O)CC2)C1=O 736107203 UDSCDMCDGWGGRH-JTQLQIEISA-N 395.368 -0.782 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C#N)s2)c1=O 758050259 FBTHGKSIXQVDFZ-UHFFFAOYSA-N 398.469 -0.258 30 20 GBED C#C[C@@H](NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCCO1 776127894 GNBWAVJDSKGZCX-CVEARBPZSA-N 386.456 -0.005 30 20 GBED Cn1c(=O)ccn(CC(=O)[C@H](C#N)C(=O)NCc2ccc(F)cc2F)c1=O 786557140 FRAICWZKOSPLBS-LBPRGKRZSA-N 376.319 -0.150 30 20 GBED C=C(C)CS(=O)(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 797820976 XKFIFFNELMEZGY-GFCCVEGCSA-N 386.517 -0.973 30 20 GBED COC(=O)[C@H](Cn1ccnc1)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 811216012 HSGVTEBJBASNTL-AWEZNQCLSA-N 391.409 -0.609 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)nc3ccnn3c2C)CC1 831565739 YSLUPUZVFTZAEG-UHFFFAOYSA-N 376.442 -0.428 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1)[C@@H]1CCCO1 848963081 IVRDPLGJFFCNBA-MNOVXSKESA-N 377.448 -0.963 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CN2CCC[C@@H](C(=O)OCC)C2)CC1 900585290 LSLPUPACLYCLHF-QGZVFWFLSA-N 392.500 -0.455 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(N(C)C)nn2)C1 969110608 ZELFZKMNCBDVTG-RZFFKMDDSA-N 375.429 -0.565 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cncn1C 993600786 MBOMJGAFAJLZKB-BHPKHCPMSA-N 375.429 -0.703 30 20 GBED C=CCOc1ccc(CC(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1 1025697100 GEVRJUBCWZCTPC-YYIAUSFCSA-N 387.436 -0.397 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cncc3ncn(C)c23)C[C@H]1O 1025712135 FPCROJWTDQUOEV-MPESAESLSA-N 385.424 -0.139 30 20 GBED COCCN(Cc1ccco1)C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1117318506 VPYQLFUOLXCYQV-NXVVXOECSA-N 390.396 -0.103 30 20 GBED N#CCCN1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 1152068226 JNGKTECGRIXGSY-HNNXBMFYSA-N 375.404 -0.143 30 20 GBED C=CCN(CC=C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1194054685 UAXYWXPXTIOVAY-QBPKDAKJSA-N 380.489 -0.933 30 20 GBED COCC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1315967620 WPNGIAKZWUXCBP-DYVFJYSZSA-N 380.449 -0.067 30 20 GBED N#CCN1CCC(NC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 1319167050 JHGIXVDBUDSZJX-UHFFFAOYSA-N 396.473 -0.180 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)NCc2ccc(OCC#N)cc2)O1 1322524478 PIMBIZUHEUHEEN-HOTGVXAUSA-N 388.424 -0.043 30 20 GBED C[C@H](NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1ncnn1C 1324529975 RPOOZQZUBTZAQV-RYUDHWBXSA-N 383.416 -0.609 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1324878897 SOYBWIZUUUAATG-UHFFFAOYSA-N 392.500 -0.409 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)n1 1327507906 SVIOQXFFFYEOKG-UHFFFAOYSA-N 388.472 -0.855 30 20 GBED N#CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 1327631001 OCUMYQCMJZBKAB-MRXNPFEDSA-N 391.472 -0.858 30 20 GBED CN(Cc1cn(C)nn1)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1330983508 PZKKQFXWLQMJAW-INIZCTEOSA-N 395.423 -0.438 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCc1cnn(C)c1 1340117320 JMCVBWLYWYYHMO-ZDUSSCGKSA-N 382.428 -0.522 30 20 GBED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCn3ncnc3C2)cc1 1346193124 DWYNDUDFNCHAEK-LLVKDONJSA-N 388.409 -0.055 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc1 1346541483 RLTVHFURFHNHKU-FICVDOATSA-N 385.467 -0.311 30 20 GBED COC(=O)[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 1348829755 HAIGCIMHHIDLLQ-UPJWGTAASA-N 386.412 -0.547 30 20 GBED Cn1cccc1C(=O)N1CCN(c2nnc(Cn3cnc(C#N)n3)n2C)CC1 1526711050 AGPNJNWMJMOMIS-UHFFFAOYSA-N 380.416 -0.373 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)O)c2ccnn2C)cc1 1573311438 QCMMZTGQPALYLK-CQSZACIVSA-N 376.394 -0.113 30 20 GBED C#CCNC(=O)[C@H](C)N1CC(NC(=O)c2ccc(OCc3cnn[nH]3)cc2)C1 1574985448 CQQCBMVQEBGSDU-ZDUSSCGKSA-N 382.424 -0.064 30 20 GBED C=CCN1CC[C@H](N2CCOC[C@H]2CNC(=O)CCCc2cnn[nH]2)C1=O 1575103940 KTNWQSZSKCEZAD-CVEARBPZSA-N 376.461 -0.269 30 20 GBED C[C@H](OCc1cnn[nH]1)C(=O)NC[C@@H](CO)NCc1ccc(F)c(C#N)c1 1575854791 RFQCHCBOBIVDNP-FZMZJTMJSA-N 376.392 -0.013 30 20 GBED N#CCNC(=O)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1581858043 OGFIGBVDQPUWLR-KBPBESRZSA-N 383.416 -0.487 30 20 GBED C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 1588349984 WZQYHLOZYFXLEL-CQSZACIVSA-N 395.466 -0.181 30 20 GBED Cc1nn(C)c(N2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)c1-c1nn[nH]n1 1592442577 LJGWIOMNXORUEN-UHFFFAOYSA-N 391.461 -0.336 30 20 GBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1592678980 BQGUPITUOMNPIJ-LLVKDONJSA-N 390.429 -0.591 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](C(=O)O)O[C@H](C)C1 1593339657 RECIYZHFDMDLEE-SUNKGSAMSA-N 381.410 -0.074 30 20 GBED C#CCN1CCC[C@H]1C(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 1602721663 RUQPYDRHWFBROO-AWEZNQCLSA-N 381.444 -0.161 30 20 GBED CN1CCN(c2ccccc2CNC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1628685910 QBNNZGQRVFMCIF-UHFFFAOYSA-N 382.424 -0.111 30 20 GBED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ncn(C)n1 1750967021 PVKGZGFEBNVVIR-AWEZNQCLSA-N 398.475 -0.230 30 20 GBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1781690695 HKWADGISZSUINO-RHSMWYFYSA-N 375.385 -0.062 30 20 GBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)CCO2 1783049791 SQLZKCQEFZHJCM-KUHUBIRLSA-N 394.472 -0.308 30 20 GBED CCN(CC)C[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565104 IMIZVZFKBMYJAX-BEFAXECRSA-N 379.457 -0.118 30 20 GBED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CC(=O)NC1=O)CCO2 1783903600 UJQIFCWLFYXYIY-SFHVURJKSA-N 376.413 -0.828 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(F)(F)C(F)F)[C@H]2C1 1784891520 GMRNXMKGIIGMIT-GUBZILKMSA-N 380.294 -0.046 30 20 GBED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1 1786844764 REFGLEPZJLFILL-ULQDDVLXSA-N 389.500 0.000 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1788577372 MYOYSJOQJQJETK-XUXIUFHCSA-N 382.461 -0.793 30 20 GBED CCN1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CC1 1791079575 SUGUQEVRYMQHKI-ULQDDVLXSA-N 391.468 -0.214 30 20 GBED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@@H]21 1791259592 BRHBNSRJOPPXLN-NDKCEZKHSA-N 392.543 -0.035 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CC)NC(C)=O 1792530945 GMDGNOQJZZJXQG-RDDKANTKSA-N 379.457 -0.471 30 20 GBED Cc1noc(C)c1CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1794139581 KNWPFBUXEPYMQZ-HBCWATKFSA-N 389.408 -0.098 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@H]2COC[C@H]21 1801603754 ZPASAFYNTGLTHU-SUMFAMOZSA-N 392.452 -0.022 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccnnc2O)[C@H]1c1cccnc1 1812879537 ATRFVIWQSZMFHJ-DYVFJYSZSA-N 395.375 -0.015 30 20 GBED CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831498728 PKYXEJCLWBKQJL-WBVHZDCISA-N 387.502 -0.467 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)=O)C2)C1 1839174076 DMRRECHRQMXYQD-GOSISDBHSA-N 382.413 -0.459 30 20 GBED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840920651 CQVSKLMDLMBOSQ-HNAYVOBHSA-N 394.472 -0.121 30 20 GBED CCn1cc(/C=c2/s/c(=C(/C#N)C(=O)N3CCOCC3)n(CC)c2=O)cn1 264943051 SLHGLUBGFKYVNV-IATADAHLSA-N 387.465 -0.492 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)c(C)c2)C1=O 278040975 HAJGLWMOQQLZCA-UHFFFAOYSA-N 394.409 -0.765 30 20 GBED C=C(C)CN(CC)C(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 297998312 YPXYMYUAUXFJNN-UHFFFAOYSA-N 397.501 -0.014 30 20 GBED CO[C@@H]1C[C@H](/N=C(/O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1(C)C 329796974 FGEXLAWCPMOHHN-NWDGAFQWSA-N 380.449 -0.324 30 20 GBED N#Cc1cccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 331999476 XYLXFISJAFRNQP-INIZCTEOSA-N 390.465 -0.381 30 20 GBED CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)[C@H]31 349475333 FCAFMLNASXTHAM-GXYBRJDSSA-N 391.515 -0.107 30 20 GBED CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C)C[C@@H]1C 349478451 SEDAIJGSGYFISG-QWHCGFSZSA-N 394.519 -0.567 30 20 GBED CO[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@@H]2C#N)C1 349499183 DAHLTFGCFNGIMF-STQMWFEESA-N 397.544 -0.302 30 20 GBED N#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCCc2n[nH]cc21 349508768 ZJFKYFZLQXTHKU-UHFFFAOYSA-N 386.459 -0.439 30 20 GBED CCN1C(=O)[C@@H]2CN(CCS(=O)(=O)c3ccc(C#N)cn3)CCN2C1=O 367361068 MNJNTPZCEODPKL-ZDUSSCGKSA-N 377.426 -0.305 30 20 GBED CNC(=O)N[C@H]1CCN(c2nc(N3CC[C@@H](NC(=O)NC)C3)ccc2C#N)C1 436342622 WZNUBQKPBYOSQZ-KGLIPLIRSA-N 386.460 -0.031 30 20 GBED C[C@@H](O)CN(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H](C)CO 443836915 DKYISYAIAJIYQE-VXGBXAGGSA-N 389.387 0.412 30 20 GBED CNC(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 470651637 IPGSXJRECYDZFQ-UHFFFAOYSA-N 379.442 -0.106 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1C(=O)CCCC1=O 482372448 NIOXVTPIIOLRLZ-LBPRGKRZSA-N 392.437 -0.120 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCCS(N)(=O)=O 504297675 KITMYZHRYCVXDD-LLVKDONJSA-N 388.471 -0.590 30 20 GBED Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CCN(c2cnccc2C#N)CC1 553356019 QSLZEJHSJUVITB-UHFFFAOYSA-N 388.453 -0.170 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCS(=O)(=O)C2)c1 568148845 ORBDEJDOJKADIL-CYBMUJFWSA-N 385.467 -0.222 30 20 GBED CN1C[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)N(C)CC#N)cc2)CC1=O 571106072 VYPNJDMGSHHTGI-LLVKDONJSA-N 386.455 -0.660 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCC(=O)NC)cc1 578669068 ZQBFCGANAMKDSX-NSHDSACASA-N 388.471 -0.319 30 20 GBED CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 588124810 LGCDPFHTXUNOJL-LJQANCHMSA-N 394.472 -0.091 30 20 GBED COC(=O)[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)C(C)C 594626752 JYPOIBJZNGUBGJ-CYBMUJFWSA-N 389.455 -0.036 30 20 GBED COc1cc([C@@H](C#N)NC(=O)CNS(=O)(=O)N(C)C)cc(OC)c1OC 597038758 FRJFDXXMIGNIQF-LLVKDONJSA-N 386.430 -0.211 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CC(N)=O 608911605 LLCFKJGVQWETMB-UHFFFAOYSA-N 376.463 -0.514 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 728589560 HXMLOORQJAGPBS-UHFFFAOYSA-N 380.426 -0.208 30 20 GBED C#CCN1CCN(C(=O)CN2CC[S@@](=O)C[C@H]2c2cnn(CC)c2)CC1 753810300 IWQWJRPPPVZVGO-MRDQGFSESA-N 377.514 -0.214 30 20 GBED CCOc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1O 771896687 GKQVGSZHHMTSRX-UHFFFAOYSA-N 382.398 -0.499 30 20 GBED CC(C)(C#N)CS(=O)(=O)NC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 776145367 BAIZOJXJWMCGBU-FPQZTECRSA-N 383.426 -0.465 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F 783348050 RMRBALJOOOSYOF-UHFFFAOYSA-N 382.377 -0.543 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 799287976 VQZJMPDNDXGZPC-AWEZNQCLSA-N 393.465 -0.284 30 20 GBED C#C[C@H](NC(=O)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CCCO1 809312008 KEOQPHQMBBHPJM-SRVKXCTJSA-N 375.347 -0.095 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC(N2CCOC2=O)CC1 826977998 RTMRHNUNENJYMA-UHFFFAOYSA-N 386.412 -0.075 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)CC1 872515456 NJXMZULRXBXDCP-CYBMUJFWSA-N 399.494 -0.216 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@H](c2cn(C)cn2)C1 993542721 DDYWLVVXNLMLFO-OSRDXIQISA-N 375.429 -0.703 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C(=O)COC)[C@H]2CS(=O)(=O)C[C@H]21 995442442 DDMGGLDNMHAABD-BARDWOONSA-N 386.470 -0.550 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1n1ccnn1 1069929551 JFPBTRWOGXHGNZ-NCOADZHNSA-N 386.460 -0.108 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC2CCS(=O)(=O)CC2)C[C@H]1O 1077019004 ICTNYFKTNKSIHT-VQHPVUNQSA-N 386.514 -0.046 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1C(F)(F)F 1112103552 MIBVQYMEOLDKSH-FDYHWXHSSA-N 388.390 -0.371 30 20 GBED C#C[C@H](NC(=O)C(=O)N(CCCOC)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 1117580321 CTWYYZRJTNPRQP-ILXRZTDVSA-N 386.470 -0.664 30 20 GBED C#C[C@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)Nc1nnn(C)c1C 1118348104 CHMYVDPAQQJDGG-NSHDSACASA-N 377.492 -0.071 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CCCS(=O)(=O)N(C)C)C[C@@H]1O 1219656340 YQNUULBNDLWIIW-WCVJEAGWSA-N 389.518 -0.590 30 20 GBED N#CCC1(CNC(=O)C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)CC1 1262136529 ZEVPRTUNKIMHHY-INIZCTEOSA-N 377.489 -0.291 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCCOC[C@@H]2CCCO2)CC1 1322939604 ZMJSQYDVXGCDHM-INIZCTEOSA-N 379.457 -0.324 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)NC)s1)[C@H]1CCCO1 1325472952 DFKVSXKJQSYLRT-NWDGAFQWSA-N 385.467 -0.431 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C[C@H]1c1ccc(O)cc1 1328786184 QJGYHGGNMXIBDC-OWCLPIDISA-N 387.392 -0.142 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C)c3ccccc32)CC1 1330914842 GTZALCPRRJWFCD-OAHLLOKOSA-N 390.465 -0.252 30 20 GBED CN(C)S(=O)(=O)N1CCN(c2nnc(-c3cncc(C#N)c3)n2C)CC1 1526711637 OMUSGTTXULWXFI-UHFFFAOYSA-N 376.446 -0.323 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573285819 OETFNUVXEZRBRD-HNNXBMFYSA-N 382.428 -0.425 30 20 GBED C#CCNC(=O)CC(=O)N(C)C[C@@H]1CCCN(C(=O)CCCc2cnn[nH]2)C1 1575004958 QPGJQJSNADEXAL-HNNXBMFYSA-N 388.472 -0.036 30 20 GBED C=CCn1cc(C(=O)N(C)[C@@H](C)CNC(=O)[C@@H](C)OCc2cnn[nH]2)nn1 1575112813 ZALRJFSJKRGQKN-NWDGAFQWSA-N 376.421 -0.236 30 20 GBED C#CC[C@H](COC)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588333867 GWKXLTZWWIHNOC-DGCLKSJQSA-N 392.441 -0.312 30 20 GBED C=CCNC(=O)[C@H](C)NC[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1588659978 UVOVCPAEVJCUCO-AAEUAGOBSA-N 388.432 -0.684 30 20 GBED C=CCOCC(=O)N(C)C[C@H](O)CN(C)c1nc(C)cc(-c2nn[nH]n2)n1 1588665937 UOTDWVWDXCSIEG-LBPRGKRZSA-N 376.421 -0.577 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)O)C2)C1=O 1588837136 RANXVLQOVLPGTM-ZJNRKIDTSA-N 379.413 -0.819 30 20 GBED C[C@@H](Nc1cnc(-c2nn[nH]n2)cn1)[C@H]1CN(C(=O)CSCC#N)CCO1 1589987327 IUDQHSRCSGVFDB-ZYHUDNBSSA-N 389.445 -0.059 30 20 GBED Cc1nc(C#N)c(-c2nn[nH]n2)n1CC(=O)NC[C@H]1CN(CC(C)C)CCO1 1592340545 HWALYMXIQRASQH-ZDUSSCGKSA-N 387.448 -0.284 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2O)CC1 1602717911 IFAPMADDINMLSI-NVXWUHKLSA-N 396.455 -0.727 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[nH]n4)n3)C[C@@H]2O)cn1 1602739443 KPOVIJLCJFZKPE-CABCVRRESA-N 391.395 -0.679 30 20 GBED Cn1nncc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779015647 AGOPNNGQAOHQDL-BAOGCXAUSA-N 389.460 -0.270 30 20 GBED Cc1c(C(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cn2[nH]cnc(=O)c12 1780020800 YTDTUNWFMFNTIA-GOSISDBHSA-N 384.396 -0.312 30 20 GBED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566542 WMNZEAJHCZWHNK-PXAZEXFGSA-N 382.369 -0.534 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN(C)C(C)=O)C[C@@H]21 1784478173 VMOCAFOFCYZQIU-UBDQQSCGSA-N 393.484 -0.127 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785365158 NVOYVGTVXAMXBT-SCLBCKFNSA-N 377.445 -0.043 30 20 GBED CN1CCN(C2(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CC#N)C[C@@H]43)CC2)CC1 1789805165 YMCQKULGINVCOF-ULQDDVLXSA-N 389.500 -0.340 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 1792581642 XINGBLCZAWZORC-OWVAZHOYSA-N 393.484 -0.325 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1794011572 BQUVDDVGUVBGEQ-XJFOESAGSA-N 392.456 -0.251 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCCC2=O)C3)c1 1798694007 PKZBRKGTXUJRMD-ZSBFGKGUSA-N 385.424 -0.288 30 20 GBED O=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)CN1 1800525102 XLGDJPZWWITSOD-FHVOIMCCSA-N 388.424 -0.576 30 20 GBED Cn1nc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1O 1804900030 VKCHNOHQJKUCCX-FZKQIMNGSA-N 397.391 -0.072 30 20 GBED Cn1ncnc1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812876116 BVQGWIIGORYTPK-BBRMVZONSA-N 382.380 -0.382 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2 1831014754 UETHMDKAPUIRHU-KRWDZBQOSA-N 380.401 -0.801 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1831487337 NAFHRJMGOAPFFM-LRDDRELGSA-N 383.474 -0.171 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=S)NCC)CCO2 1839656319 LWAXMGPSELERGJ-GOSISDBHSA-N 396.513 -0.660 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1839807521 FQOFQWQPSSFCRC-SFHVURJKSA-N 390.396 -0.599 30 20 GBED CSCC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840195897 KPSGRNFMHHVDNY-KSSFIOAISA-N 397.497 -0.139 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N(C)C(C)=O)C2)C1 1840842107 NLGASHYWCYLMST-BEFAXECRSA-N 379.457 -0.277 30 20 GBED Cc1ccc(C#N)cc1S(=O)(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 265105553 GBKGZCXGGIUBMV-CYBMUJFWSA-N 385.467 -0.210 30 20 GBED CNC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 266974516 QDAZNQZHLKNPJD-UHFFFAOYSA-N 379.442 -0.024 30 20 GBED C[C@]1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 267369005 RHMGUTFZAVHKEL-SFHVURJKSA-N 392.481 -0.152 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1C 290680591 QJNVEKTVDRBRNO-COPLHBTASA-N 385.467 -0.226 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 292252506 DOWQXNXOKUQTPA-HIFRSBDPSA-N 392.456 -0.967 30 20 GBED C#CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 297680194 ALFOXMUCQUYGRZ-UHFFFAOYSA-N 394.409 -0.481 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)NCc2ccc(OCC(N)=O)cc2)c1=O 298812020 ZTIQOQLNNCXOAL-UHFFFAOYSA-N 385.380 -0.918 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCO[C@@H](C#N)C2)c1 330655005 NRXOYYSSXRCWKN-ZDUSSCGKSA-N 382.442 -0.370 30 20 GBED C[C@@H]1[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)CCN1C 349458217 GEBIBHYQQAIBAD-CHWSQXEVSA-N 378.520 -0.294 30 20 GBED CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 349471491 OLIAIYBEFCWQOC-LLVKDONJSA-N 386.455 -0.612 30 20 GBED CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(O)(C2CC2)C1 349502289 GLKYNLNWFLVWBI-OAHLLOKOSA-N 391.515 -0.225 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N[C@@]2(C#N)CC2(C)C)C[C@@H]1O 349518349 GXOAOHPPRYQLQW-MBNYWOFBSA-N 379.504 -0.369 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](N3CCCC3)C2)CC1 349524550 PQPHUYOWHIYQTM-CQSZACIVSA-N 390.531 -0.148 30 20 GBED C[C@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)Nc1nnc2ccccn12 349573906 KVLHPKNOKORXBF-LLVKDONJSA-N 386.459 -0.060 30 20 GBED COCCNCCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 418903660 IKOZTVAQDNZMEF-INIZCTEOSA-N 387.440 -0.478 30 20 GBED N#Cc1cccc2c1CCN2CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 420974065 NSOGVRJSLQPCDA-UHFFFAOYSA-N 397.479 -0.076 30 20 GBED C[C@@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 443255875 XDQLCJGKHZADKB-BMIGLBTASA-N 384.371 0.462 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCN1CCOCC1 460587025 PIPHTNKEHCHQGS-UHFFFAOYSA-N 397.439 0.224 30 20 GBED CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460718497 OSNHFFJADLQWTE-UONOGXRCSA-N 395.423 0.417 30 20 GBED C[C@H](CN1CCN(C)CC1)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 584500172 UPSKSBOSYZWKTN-CQSZACIVSA-N 379.486 -0.411 30 20 GBED C[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)S(C)(=O)=O 588631090 IOYNGIXZUPGYHX-LBPRGKRZSA-N 396.444 -0.105 30 20 GBED CN(C)CCOCCNC(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 597299028 CNFSJRJLYHESNO-UHFFFAOYSA-N 379.486 -0.037 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 610425175 HTDAEQSDQFXZGM-LBPRGKRZSA-N 397.457 -0.651 30 20 GBED CCOC(=O)CON=C(C(=O)NCc1nnnn1-c1ccccc1)c1cc[nH]n1 772153249 VFXCTBPDVLRRGL-UHFFFAOYSA-N 398.383 -0.014 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1 774176726 LFYDPXZZYGXBHN-UHFFFAOYSA-N 384.440 -0.048 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCCO1 775109943 VSCMZBLBTQHKAH-KGLIPLIRSA-N 390.440 -0.346 30 20 GBED N#Cc1ccc(N2CCN(C(=O)Cn3cc(S(N)(=O)=O)cn3)CC2)cn1 802624827 AHJVROHYUCYEKQ-UHFFFAOYSA-N 375.414 -0.854 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1CCOC 812274579 HDVCDNFJBLTFEJ-UHFFFAOYSA-N 397.407 -0.524 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](C)C1 940173706 VONCRVLDHWBAHM-SYQHCUMBSA-N 392.456 -0.129 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1046708126 JPHQNNWBRYYGST-BARDWOONSA-N 379.457 -0.441 30 20 GBED N#CCN1CCN([C@@H]2CCCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)C(=O)C1 1071269202 MQQDQSUXQAWHJC-UIBIWLFHSA-N 376.457 -0.303 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(CCOC)no1 1109167708 GFZUGNHHNZICFR-RDBSUJKOSA-N 375.429 -0.381 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)C1=O 1117963202 NIZBHYMNBKKLNI-UKRRQHHQSA-N 376.457 -0.251 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CCNS(=O)(=O)CC)C[C@H]1O 1193067167 KWVZOWHIPLUVSX-TUVASFSCSA-N 375.491 -0.932 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)[C@H](OC)C1 1213185453 CGNOJOSADSOZQO-GIBNFWJJSA-N 392.456 -0.763 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C[C@H]1C 1215198772 LFDGOWWCNALWFU-TVFCKZIOSA-N 392.500 -0.948 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CCC[C@]23CCOC3=O)CC1 1325163861 POKNXJMXBZMENT-LJQANCHMSA-N 383.408 -0.090 30 20 GBED C=CCOCCNC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 1327096440 UYJALUMIALFSEA-UHFFFAOYSA-N 393.465 -0.092 30 20 GBED C=CCN(C(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@H](C)COC 1329015385 OXDIFGVODMPJDU-CWVYHPPDSA-N 389.452 -0.041 30 20 GBED O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCN1CCN(c2ncccn2)CC1 1330265673 NAEJYKWNZCJXBA-ISLYRVAYSA-N 399.455 -0.369 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCOCCF)C2=O)cc1 1347574769 YIYPMORCHNKGFY-OAHLLOKOSA-N 376.388 -0.122 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2C1 1573286109 UGRFIIQHRNHPTJ-BNOWGMLFSA-N 383.412 -0.237 30 20 GBED C=CCOCCCC(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O 1573349135 ZHPPPHKSVAYYPI-GXTWGEPZSA-N 388.432 -0.305 30 20 GBED COCCN(CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1cnc(C#N)cn1 1579800627 OSZKDTKXKHEINV-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2ccc(-c4nn[nH]n4)nn2)C3)nn1 1588713296 JLFDHNROWPWDSK-MRCXROJRSA-N 379.388 -0.559 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H](n3cc(C(=O)O)nn3)C2)CC1 1590949153 NGIDPPNHOOLJQE-HOCLYGCPSA-N 389.460 -0.085 30 20 GBED N#CCC(=O)N1CCN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 1592671275 BTCRRPMIQHMKEY-UHFFFAOYSA-N 382.384 -0.819 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)O)[C@H]2CCC[C@@H](OC)C2)C1=O 1602894484 GAYVBZAKNWOXIC-LOWVWBTDSA-N 381.385 -0.262 30 20 GBED N#CC[C@]1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)C1 1676815151 KYXSBGQGYNNUCB-INIZCTEOSA-N 395.441 -0.015 30 20 GBED Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)on1 1693543463 RIJUWYLEHKVDHN-AAEUAGOBSA-N 395.445 -0.038 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(Cl)nc3)[C@H]2C1 1783380764 UPXXZLDUEQYWJQ-DRZSPHRISA-N 392.799 -0.189 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1783924290 OZKUVIRUGSQBQP-MSOLQXFVSA-N 381.429 -0.018 30 20 GBED CN(C)c1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)o1 1791074316 PNJFLALWNKGHMY-AVGNSLFASA-N 390.396 -0.578 30 20 GBED Cc1nn(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c1F 1794496666 FSNDZTFBOLOVTP-QHBPRCKVSA-N 378.360 -0.841 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2C(=O)C=CC2=O)C3)CC1 1795408066 MFZOHTVWEXHSEJ-FVCICTRLSA-N 386.408 -0.805 30 20 GBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2cccnn12 1798500459 LNAUXSNQCQCSRW-IVWMJMPLSA-N 383.408 -0.131 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2 1800226121 XIYPRJGFNYHNIE-NXOAAHMSSA-N 398.504 -0.288 30 20 GBED Cn1nncc1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1804747826 PZWRMYRRPDOTLU-CXAGYDPISA-N 382.380 -0.382 30 20 GBED COC(OC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1831042831 GTNCPUOVUVJOSQ-SFHVURJKSA-N 381.429 -0.244 30 20 GBED CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338230 AFZHHGMZIHIXMW-IBGZPJMESA-N 392.456 -0.385 30 20 GBED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342593 XRFJVRLZUVSEHY-AUUYWEPGSA-N 392.456 -0.387 30 20 GBED Cc1cnn(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)c1 1835354643 SKNNXVRALICUFH-SFHVURJKSA-N 375.429 -0.048 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835503612 DNYBHJBGMNLVGJ-DYVFJYSZSA-N 398.485 -0.892 30 20 GBED CC[C@@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674853 GPBLFJYQFZHOHV-DNVCBOLYSA-N 396.488 -0.504 30 20 GBED C[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)O1 1836609798 UFWOUPUJKYQUHD-LBTNJELSSA-N 380.397 -0.902 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)CCC1 1840813759 UKORQIBDBVAAEJ-GOSISDBHSA-N 388.428 -0.572 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1841604329 NCRXSOPXCKIHEV-AWEZNQCLSA-N 388.424 -0.501 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CC)NC(N)=O 1847261614 WWECIZJKGFWENW-GLCHUSEXSA-N 377.445 -0.507 30 20 GBED CC/N=C(/NCc1nncn1C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261698231 FWEFODYZUFYUNY-UHFFFAOYSA-N 396.477 -0.584 30 20 GBED C#CCOc1ccccc1CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 265165886 VFFFAWFZFXIOEX-UHFFFAOYSA-N 381.392 -0.238 30 20 GBED COc1ccc(S(=O)(=O)N2CCOC[C@H]2C#N)cc1[C@@]1(C)NC(=O)NC1=O 266132920 BJSXYGCZZWJBQA-QLJPJBMISA-N 394.409 -0.337 30 20 GBED COCCCN(CCO)C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 298008591 ZAFPQJWFCNYQPV-UHFFFAOYSA-N 375.429 -0.541 30 20 GBED C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 299570125 ASEZWSDQUJWKIG-XKQJLSEDSA-N 393.465 -0.372 30 20 GBED CN(C1(C#N)CCC1)S(=O)(=O)CCCS(=O)(=O)N1CC(O)(C2CC2)C1 349498397 CMSGBMSHZKETGD-UHFFFAOYSA-N 391.515 -0.129 30 20 GBED CCN1C(=O)[C@@H]2CN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CCN2C1=O 362305253 JZQLWMCZPFRVAH-HOTGVXAUSA-N 390.488 -0.353 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2C(=O)N2CCSCC2)C1=O 363064075 RTVVVZQPFHPXIP-LBPRGKRZSA-N 394.453 -0.470 30 20 GBED COC(=O)c1cccc(CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1C#N 534292208 KXKVRLFQZDASDK-SJORKVTESA-N 393.465 -0.380 30 20 GBED N#CCNC(=O)CNC(=O)Nc1ccccc1OCC(=O)N1CCOCC1 558353147 NWFQCKMFMVRXGQ-UHFFFAOYSA-N 375.385 -0.315 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@]2(O)CN3CCC2CC3)c1 566471566 XNTLBVUIZMGOBK-KRWDZBQOSA-N 378.454 -0.591 30 20 GBED COC[C@@H](CCO)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 572542949 SHVMSUJDKPXPBN-GFCCVEGCSA-N 391.471 -0.494 30 20 GBED COC[C@@]1(C(=O)OC)CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 574844992 OWKZPCJKMYZSKU-QGZVFWFLSA-N 395.437 -0.125 30 20 GBED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)c1 576768200 OUVMVJVPVRSFEL-CQDKDKBSSA-N 385.467 -0.120 30 20 GBED C[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)N1CCN(C)CC1 583902504 BUESEDUSNWFQTK-AWEZNQCLSA-N 379.486 -0.411 30 20 GBED N#Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)o1 588113948 RPCUGLHHSSJJRM-UHFFFAOYSA-N 390.425 -0.042 30 20 GBED CCNC(=O)CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 594623510 NCOFPPNZOQDDLA-UHFFFAOYSA-N 388.471 -0.413 30 20 GBED C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(-c2nn[nH]n2)ccc1C 735375437 ZVHJDIIHSNVKQP-ZDUSSCGKSA-N 395.466 -0.014 30 20 GBED N#Cc1c(F)cccc1S(=O)(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 751005696 WMETYTRNURQVPW-JTQLQIEISA-N 389.430 -0.331 30 20 GBED Cn1cnc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccc(C#N)cc2)c1 756463932 UDQRYUILXNEWHX-UHFFFAOYSA-N 391.409 -0.570 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccn(C)c2)c1=O 763467961 ZIURYEUPIMFPSZ-UHFFFAOYSA-N 384.461 -0.463 30 20 GBED C[C@H](CC(=O)N1CCN(C(=O)CO)CC1)/N=C1/NS(=O)(=O)c2ccccc21 765271480 HYPQJFOKYBTVLA-GFCCVEGCSA-N 394.453 -0.833 30 20 GBED C#CCN1CCN(C(=O)CN2CCC(c3nc(C(=O)OCC)n[nH]3)CC2)CC1 770037593 AGSKENJSSCNGOI-UHFFFAOYSA-N 388.472 -0.062 30 20 GBED CC[C@H](C#N)Oc1cccc(CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c1 781967906 RYONZRVCMUJQHC-WCQYABFASA-N 382.442 -0.223 30 20 GBED O=C(N[C@@H]1CCCN(O)C1=O)c1cccc(C(=O)N[C@@H]2CCCN(O)C2=O)c1 848134797 DXSVSPXWYCLPCU-ZIAGYGMSSA-N 390.396 -0.093 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCCCO)cc1 848942377 KCKGGLXGTKIMRS-UHFFFAOYSA-N 385.467 -0.115 30 20 GBED CC(C)(C)OC(=O)N1CCN2/C(=N/CC3CN(S(C)(=O)=O)C3)NC[C@@H]2C1 849097306 ADKSYNFNADWZLG-CYBMUJFWSA-N 387.506 -0.242 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 850712896 WBICZADABDKLIX-OAHLLOKOSA-N 399.455 -0.340 30 20 GBED CN(C(=O)C(=O)N1CCN(CCC#N)CC1)[C@@H]1CCN(CC(F)(F)F)C1=O 867474813 ZRFFFKCDIMYNNG-GFCCVEGCSA-N 389.378 -0.334 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(CC3CC3)nn2)C1 970235500 HLLBTJFBCZSVJO-FSDCSDTHSA-N 389.456 -0.029 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nccnc2N)C1 1023232519 CEESRXMQIJRJED-JLNYLFASSA-N 375.429 -0.268 30 20 GBED C#CCN1CCC(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1058229653 XAVPSPGEOOPRKS-LFDJNIOPSA-N 389.496 -0.308 30 20 GBED C=CCN1CC[C@H](N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2CCOCC2=O)C1=O 1095539916 PQGXUXHWFPHIRC-UGUYLWEFSA-N 376.457 -0.646 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1COCCN1CCCC 1109560461 BAYZUAPFAAOLQT-OWSLCNJRSA-N 376.501 -0.042 30 20 GBED COC[C@@H](CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1117589844 NKKAFVDTCWZCJX-CYBMUJFWSA-N 378.433 -0.974 30 20 GBED Cn1nccc1[C@H](O)C1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1148574366 VDCRZQNTSPWCTR-MRXNPFEDSA-N 386.412 -0.084 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 1196812666 UGARKFGSDKTXHI-NHIYQJMISA-N 380.445 -0.859 30 20 GBED C=CCNC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1218340940 VCIVASGKYJUEFS-YXISZKLHSA-N 379.457 -0.748 30 20 GBED N#CCNC(=O)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 1258173876 ZNKQRZGTJBFSLH-UHFFFAOYSA-N 384.389 -0.784 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CC[S@](=O)C[C@H]1c1cnn(CC)c1)[C@H]1CCCO1 1261154393 KOZVPSKFVSTFHO-VDVGZCQLSA-N 392.481 -0.168 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2c(c1)CC(=O)N2 1319513122 MWGZADIWWPMWSE-UHFFFAOYSA-N 391.409 -0.719 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1ccccc1N1CCOCC1 1321557181 YABRTDKMIKNDCJ-UHFFFAOYSA-N 395.481 -0.144 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCC2CCN(S(=O)(=O)CC)CC2)nn1 1328096505 GIUKLIVPLIIJCR-UHFFFAOYSA-N 398.489 -0.742 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1 1329301795 AXPHZOLBKCOWHU-PXNSSMCTSA-N 386.452 -0.119 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCC[C@@H]2C(=O)NC(C)(C)C)CC1 1338205409 CDAZLDWAAWEPMN-OAHLLOKOSA-N 390.484 -0.120 30 20 GBED CNS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1554506259 BWFIBJZXFUQKSJ-AWEZNQCLSA-N 379.490 -0.119 30 20 GBED C[C@@H](C#N)C(=O)N1CC[C@H](N2CCN(c3ccc(-c4nn[nH]n4)nn3)CC2)C1 1573565563 RZFJKEMAZNPDQW-STQMWFEESA-N 382.432 -0.461 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@H](CNc3cncc(-c4nn[nH]n4)n3)C2)c1 1581862184 QFYMBGCBBCLRJO-NSHDSACASA-N 380.372 -0.190 30 20 GBED C#CCOCCC(=O)N1C[C@H]2CC[C@H]1[C@@H](N=c1cc[nH]c(-c3nn[nH]n3)n1)C2 1588360087 HYVFAQKOZKDEOG-IHRRRGAJSA-N 382.428 -0.090 30 20 GBED C=CCN(C(=O)C(=O)N1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1)C1CC1 1588625045 BTZVMIOUZNHUDR-UHFFFAOYSA-N 399.459 -0.266 30 20 GBED C=CCOCCn1c(=O)c(-c2nn[nH]n2)cn(CC(=O)OC(C)(C)C)c1=O 1588688992 DONMMMHXHYUNEI-UHFFFAOYSA-N 378.389 -0.266 30 20 GBED CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N2CCC(C#N)(C(=O)O)CC2)C1 1599755447 TZYYBVMNGRWODV-LLVKDONJSA-N 379.460 -0.712 30 20 GBED N#C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)O)CC1 1601047735 BZIHTIWKAAUEIV-GFCCVEGCSA-N 381.410 -0.214 30 20 GBED C=CCCC[C@H](NC(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O)C(=O)OC 1602834093 GCVUXOBWSRVLJR-JTQLQIEISA-N 377.361 -0.857 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@H](CN=c3cc[nH]c(-c4nn[nH]n4)n3)C2)nn1 1602882801 UOIYCYLMMVDQNU-XYPYZODXSA-N 381.404 -0.523 30 20 GBED C#CCN(CC#C)C(=O)C(=O)Nc1ccccc1-n1cnc(-c2nn[nH]n2)n1 1609021025 YQVQEDUWFPEHED-UHFFFAOYSA-N 375.352 -0.519 30 20 GBED C#CCNC(=O)CNC1CCN(CCNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 1754849305 OKUXELDYWAZRDZ-VDZJLULYSA-N 376.501 -0.279 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1778968587 UNHKRXHNJNBBDM-KBXCAEBGSA-N 377.445 -0.168 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=S)NC)C2)C1 1779034529 FSBNAHPKVKJTNA-KBXCAEBGSA-N 398.529 -0.109 30 20 GBED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)C1(O)CCC1 1783516530 UMPRASGPNSXRDM-QPSCCSFWSA-N 378.425 -0.395 30 20 GBED CN(C)C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1795460761 NEGCDKVNXYUYPS-ALXJQNPVSA-N 384.436 -0.221 30 20 GBED N[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1796397519 RIXMNRQCXIRNGM-DMUMMCEESA-N 382.464 -0.046 30 20 GBED CN[C@@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2)C(=O)O 1815086499 MJRPHHFYNNLRFG-WPRPVWTQSA-N 394.409 -0.794 30 20 GBED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCN(C(C)=O)CC1)CC2 1825017570 HXUWBVAFIIZSRX-CYBMUJFWSA-N 389.481 -0.148 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)C3CC3)CCO2)C1 1830598940 HXVSZVUPACZMIU-YWZLYKJASA-N 394.468 -0.005 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)C1 1836141563 QIBJLALAZWYAFS-KRWDZBQOSA-N 376.417 -0.904 30 20 GBED CC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837560222 LKUDKZIZPCQQJB-QZAHWVOCSA-N 393.440 -0.074 30 20 GBED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)nn1C 1838273576 OACIMHMMEUZMBM-GOSISDBHSA-N 375.429 -0.034 30 20 GBED Cc1nnsc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042593 CNFWPLBRTDNXHO-INIZCTEOSA-N 394.409 -0.995 30 20 GBED CS(=O)(=O)NCCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 263949189 CYZKVOIHWJTGKR-UHFFFAOYSA-N 376.341 -0.236 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCN(C)S(=O)(=O)CC)C1=O 284333836 XHHSSPNWNREDOO-ZDUSSCGKSA-N 388.490 -0.981 30 20 GBED COc1ccccc1/C=c1\s/c(=C(/C#N)C(=O)N2CCOCC2)n(C)c1=O 298757901 IFROJZZVHRGXFD-VVFPYCPVSA-N 385.445 -0.183 30 20 GBED CS(=O)(=O)N1CCC(CN/C(O)=N/CCC(=O)N2CCOCC2)CC1 328673725 JFXAEZPQUMHYEI-UHFFFAOYSA-N 376.479 -0.590 30 20 GBED CS(=O)(=O)N1CC[C@@H](C/N=C(/O)NC[C@H]2CCCN2S(C)(=O)=O)C1 328780626 HBBLSYBJYRONTQ-NWDGAFQWSA-N 382.508 -0.805 30 20 GBED CN1[C@H]2CC[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1)CC2 349477055 QDSQVOXDRDXLAS-KBPBESRZSA-N 390.531 -0.150 30 20 GBED N#Cc1ccccc1CSCCNC(=O)C(=O)NCCN1CCNCC1 418925379 QDAGXNDZLTYOBM-UHFFFAOYSA-N 375.498 -0.071 30 20 GBED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2C[C@H](O)[C@H](O)C2)CC1 444697412 YAQXXBKZWYAYHR-OKILXGFUSA-N 387.396 -0.508 30 20 GBED CNC(=O)N[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C1 459917976 RDSGNZCLMGNDQT-HNNXBMFYSA-N 384.440 -0.263 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)CCC#N)CC2)cs1 488822704 HZXYMVVRNOSWIO-UHFFFAOYSA-N 393.516 -0.152 30 20 GBED Cc1ncc(S(=O)(=O)NCCNS(=O)(=O)c2cccnc2)cc1C#N 489705216 MGYWRFBZTKPRDQ-UHFFFAOYSA-N 381.439 -0.087 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)CC1 570353095 QJZZJGSDAHKFFS-KRWDZBQOSA-N 382.505 -0.705 30 20 GBED C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)NC1CCN(CC#N)CC1 588125728 JKPXZCKRUPPVTD-OAHLLOKOSA-N 377.489 -0.198 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3nc(C(N)=O)cs3)CC2)c1 595127716 YSPFGFSGHZLHGR-UHFFFAOYSA-N 399.436 -0.526 30 20 GBED CN(C)S(=O)(=O)NCCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 596614821 ZTUUHDZNQXJHLQ-UHFFFAOYSA-N 398.464 -0.075 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nnnn1C1CC1 610809834 RGGVMQCJSOIBNV-SNVBAGLBSA-N 375.414 -0.137 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2F)CC1 728589773 KPGUXMZJSMSXCZ-UHFFFAOYSA-N 396.444 -0.160 30 20 GBED N#C[C@@H](C(=O)CN1C(=O)COc2ccccc21)C(=O)N1CCS(=O)(=O)CC1 732909905 HKIANMUIGVDLKC-LBPRGKRZSA-N 391.405 -0.622 30 20 GBED COCCN1C(=O)c2ccc(C(=O)N3CCOC[C@@H]3C#N)cc2S1(=O)=O 748342073 JXMNDRGJGDWOFY-LBPRGKRZSA-N 379.394 -0.158 30 20 GBED Cn1cnn(CC(=O)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1=O 765583373 KGKXHAFZGPWULJ-UHFFFAOYSA-N 389.315 -0.023 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(=O)n(-c3ccccc3F)n2)CC1 765769849 GCMZSCNSJBIDBO-UHFFFAOYSA-N 397.410 -0.121 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC1 788618195 VKAFNYLCVXCDPJ-UHFFFAOYSA-N 378.498 -0.196 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1)[C@H]1CCCO1 809306432 QOMWWTUXSNKSLW-VSZNYVQBSA-N 376.501 -0.232 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)n1ncc(C#N)c1N 820451918 YKYNREMTJXESBK-QMMMGPOBSA-N 387.385 -0.476 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)[C@@H]1C 990123881 CYMJXEJAHSJZBI-MQYQWHSLSA-N 378.429 -0.423 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cncc(-n2ccnn2)c1 1109560524 FHSKOSKHCFWMHU-KBMXLJTQSA-N 380.412 -0.363 30 20 GBED C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NCC(=O)NCC#Cc1ccccc1 1215554579 YJCIFGIQEFNPSA-NRSFXHEJSA-N 382.464 -0.288 30 20 GBED CS(=O)(=O)C1(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 1324365880 LMOPLCMNGSMWPO-UHFFFAOYSA-N 391.453 -0.705 30 20 GBED COCCC(=O)N1CCC(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1330012619 FOBZSAILJWEOLZ-INIZCTEOSA-N 391.472 -0.671 30 20 GBED C#Cc1ccc(C(=O)N(C)C[C@H](O)CN=c2cc(C)[nH]cc2-c2nn[nH]n2)cn1 1573287506 CPDVSUABQAWXQY-OAHLLOKOSA-N 392.423 -0.087 30 20 GBED C=CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)CCCc3cnn[nH]3)C2)nn1 1575100279 NQRHAAOCSKGLKV-UKRRQHHQSA-N 388.432 -0.703 30 20 GBED CN(CC(=O)NCC#N)C[C@@H]1CCN(C(=O)c2cncc(-c3cnn[nH]3)c2)C1 1576760791 FETFFBHUOALDJX-ZDUSSCGKSA-N 382.428 -0.100 30 20 GBED N#Cc1ccc(N2CCOC[C@@H]2CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 1581871560 ZNSVJHBJZUZHOA-LBPRGKRZSA-N 380.372 -0.508 30 20 GBED Cc1ccc(C(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)cc1S(=O)(=O)NCC#N 1600331788 DELRIUUMRJOHBB-CHWSQXEVSA-N 381.410 -0.296 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)O)C2)CCN1C1CC1 1601060791 JMSUEPVUYMGSHS-WPKBUWHJSA-N 376.413 -0.865 30 20 GBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1snc(C)c1-c1nn[nH]n1 1602724322 CNAXNUBIVFJOAW-QWRGUYRKSA-N 379.446 -0.099 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1cccc(-c2nn[nH]n2)c1 1606389882 ZETDALGEDMPUFK-UHFFFAOYSA-N 391.395 -0.022 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@@](F)(C#N)C1 1609125848 SWPIQBQCBSMMKF-MEBBXXQBSA-N 393.404 -0.002 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H](O)C[C@@H](C(=O)O)C1 1609783348 MDIOYVWTNQDGFD-CYZMBNFOSA-N 381.410 -0.481 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778258417 UAOFDTOHTBBPCS-XLIONFOSSA-N 392.500 -0.898 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1783108435 QYDCYUUZXNUFRO-UGSOOPFHSA-N 378.429 -0.420 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1783566994 ORPZPHFSRSLDGN-MRXNPFEDSA-N 378.772 -0.339 30 20 GBED C[C@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)C(F)(F)F 1791072699 VSUXROBLLNVRTR-VEABSNGSSA-N 392.330 -0.633 30 20 GBED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C2 1793562962 YAOVTNHEUVGGJW-RGDJUOJXSA-N 376.413 -0.739 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cccnc1Cl 1793954592 CWDFOUJDOJTVNQ-FVCICTRLSA-N 391.811 -0.045 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1794205291 JJBFKSZQLFVXPD-HPCHECBXSA-N 378.429 -0.186 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncsc3[nH]1)C2 1800777154 IDEYUENAJKCHMX-KEODLESXSA-N 388.405 -0.084 30 20 GBED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)C(F)(F)F)C2 1801991475 LALBCHQBZALHBX-ILWJIGKKSA-N 375.303 -0.609 30 20 GBED CN1C(=O)CC[C@H]1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812879395 HOBCJQQIWVWNEI-YZVOILCLSA-N 398.419 -0.204 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](N)CN)n[nH]1 1818010543 MNCOWHZZBLMTCK-DIQTYVNISA-N 389.460 -0.454 30 20 GBED CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830053323 NSNRMXWTUJCIGK-LJQANCHMSA-N 394.472 -0.139 30 20 GBED Cn1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)c1=O 1831883625 DXIMCLQYCFLFBX-LJQANCHMSA-N 388.424 -0.241 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1832452775 HBQPXXYRYKYUBN-YJBOKZPZSA-N 381.498 -0.110 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834321445 IZTXTZNBMQXJDB-BEFAXECRSA-N 390.440 -0.472 30 20 GBED N#CCC(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)CC1 1834401470 IANPYPMMSQTHPL-AWEZNQCLSA-N 375.473 -0.002 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)CC1 1835348431 XNWTUCZDJKHGLD-SFHVURJKSA-N 388.428 -0.572 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCOCC1)CCO2 1835394212 YDRGDDBQOJQDMJ-GOSISDBHSA-N 380.445 -0.921 30 20 GBED COCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837526176 BVUIAPAPWHXJEM-GMCOFOQGSA-N 399.444 -0.382 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839381398 QXEYQLQLTHBFKO-HXUWFJFHSA-N 395.419 -0.030 30 20 GBED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1)C(F)(F)F 1839894841 VAABOSZAVFZKEL-OAHLLOKOSA-N 393.362 -0.173 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(F)c3)C2)C1 1840043389 VHVAFWQAQYOPBV-LJQANCHMSA-N 390.367 -0.016 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccncc3=O)C2)C1 1840844333 PINKUTNUIWOPLY-IBGZPJMESA-N 388.424 -0.887 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)c1 1844795540 XNEOZHLRRJKNHZ-UHFFFAOYSA-N 392.379 -0.252 30 20 GBED CCCNC(=O)/C(C#N)=c1/s/c(=C\c2ccnn2CCCOC)c(=O)n1C 283116272 WOFORITYAPFDHU-VMGXVOIUSA-N 389.481 -0.291 30 20 GBED COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1c(=O)c(C#N)cn(C)c1=O 294926738 JSUPXVCBZNZHJU-HNNXBMFYSA-N 382.376 -0.455 30 20 GBED C#Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 298996342 PEBKMENKBVBKOB-UHFFFAOYSA-N 382.420 -0.100 30 20 GBED COCc1nc2n(n1)C[C@H](/N=C(/O)N1CCN(C(=O)[C@@H]3CCCO3)CC1)CC2 329784951 WOALCOYQEGTVGO-KGLIPLIRSA-N 392.460 -0.024 30 20 GBED Cc1cc(N2CC[C@H](/N=C(/O)N3CCc4nn(C)c(=O)cc4C3)C2=O)n(C)n1 329814231 UHGIFAVNJVCVTJ-AWEZNQCLSA-N 385.428 -0.100 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCc2ccnc(O)c2C1 349452035 COLVDURCBIWQRE-NSHDSACASA-N 388.471 -0.303 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C#N)C(C)(C)C)CC(=O)N1 349498950 JSUDGTYOCRKFGP-RYUDHWBXSA-N 394.519 -0.616 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)N[C@@]2(C#N)CC2(C)C)CC1 349537706 NIZXDWVSKRQKHG-CQSZACIVSA-N 378.520 -0.435 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCCNC1=O 349612933 JOCKLFZTQRGPRR-GFCCVEGCSA-N 394.519 -0.472 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(n3cc([C@H](C)O)nn3)C2)cc1 364437075 YXHGFHGIHXGUCT-LBPRGKRZSA-N 389.437 -0.060 30 20 GBED CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 370331357 ADBLXRPXFXOVBV-GOSISDBHSA-N 388.403 0.250 30 20 GBED C=CCCN(C)C(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 410841406 JLYILOGZRYZQPD-CQSZACIVSA-N 375.491 -0.080 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCN2CCc3ccccc3C2=O)C1=O 466631424 WNZWKFVUHWZNDN-UHFFFAOYSA-N 384.392 -0.222 30 20 GBED COC(=O)C1(O)CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 537686649 JTWKAYREVKPRIG-UHFFFAOYSA-N 391.428 -0.497 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)NCCOCCS(N)(=O)=O)CC1 596623036 MOEUPQZXGALGLT-UHFFFAOYSA-N 381.458 -0.305 30 20 GBED CN(C(=O)COC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C(C)(C)C#N 789115214 SFKLXGUPYZWHCY-QGZVFWFLSA-N 394.428 -0.094 30 20 GBED C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCn2cnc(C#N)n2)C1=O 803551084 POZMACMERSBZBQ-KRWDZBQOSA-N 385.359 -0.128 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@](C)(C#N)CC(=O)O)CC2)cn1C 821176218 NUWDTXLHKLGJPR-HNNXBMFYSA-N 383.430 -0.434 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NCCC(=O)O 827760494 KYOIDBARFCFSON-SNVBAGLBSA-N 383.382 -0.641 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(O)(C(=O)O)CC1 833522641 CXPKTZOZYFLYPJ-LLVKDONJSA-N 381.410 -0.337 30 20 GBED C#CCNS(=O)(=O)CCCS(=O)(=O)N1CC(=O)Nc2c(C)ccnc21 848966984 KKSDQPVCRXBPNO-UHFFFAOYSA-N 386.455 -0.579 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)C[C@H]1O 1023942169 NVOLQKXREOPFHK-SRMUXQRQSA-N 388.424 -0.537 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CC(=O)N(C)C1 1109361337 STXKSODQDVYNQN-CRWXNKLISA-N 377.445 -0.802 30 20 GBED COCCCNC(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1111262188 DTFGWMXMCKEOQK-KFWWJZLASA-N 379.461 -0.719 30 20 GBED CNS(=O)(=O)CCNC(=O)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 1117309241 WNUNLTJVQHPRIT-CQSZACIVSA-N 380.426 -0.876 30 20 GBED N#CC1(NC(=O)COC(=O)C2CCN(c3ccc4nnnn4n3)CC2)CCC1 1117329390 NJKVIEWNUWXFFE-UHFFFAOYSA-N 384.400 -0.159 30 20 GBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCc1nc([C@H]2CC[C@@H](CNCC#N)O2)n[nH]1 1130805146 VAASYKBNARAIIO-WUHRBBMRSA-N 375.433 -0.522 30 20 GBED C=CCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1218333072 PPDMHLXYWQRHDF-LTIDMASMSA-N 381.473 -0.086 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C1 1329301797 AXPHZOLBKCOWHU-XLIONFOSSA-N 386.452 -0.119 30 20 GBED C=C(C)Cn1c(N2CCN(CCOC)C(=O)C2)nnc1[C@@]1(C)CNC(=O)C1 1346670439 JYQHXYGNTLBGTF-GOSISDBHSA-N 376.461 -0.073 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(C)CC2)c1 1350880728 MEIJYHUGXSQYNZ-UHFFFAOYSA-N 378.454 -0.898 30 20 GBED C#CCOCCC(=O)N1CCO[C@H]([C@H](C)Nc2nccnc2-c2nn[nH]n2)C1 1573288601 WHLHEBSIUWLKTE-STQMWFEESA-N 386.416 -0.276 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[nH]n3)n2)nn1 1573351866 WNMJILCYKJQNCD-QWRGUYRKSA-N 379.388 -0.463 30 20 GBED CN(C[C@@H](O)CN(C)c1ccnc(C#N)n1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1579027472 HDBKPFDCWISWSZ-NSHDSACASA-N 382.388 -0.574 30 20 GBED Cc1c(-c2nn[nH]n2)c(=O)n(CC(=O)c2ccc(C#N)cc2)c(=O)n1CCO 1580520629 ANIUASAHSFVFHZ-UHFFFAOYSA-N 381.352 -0.755 30 20 GBED Cc1c(-c2nn[nH]n2)c(=O)n(CC(=O)N[C@](C)(C#N)C(C)C)c(=O)n1C1CC1 1580520743 BMFKJQSFKCMSAV-QGZVFWFLSA-N 386.416 -0.112 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2nc(C)cc(-c3nn[nH]n3)n2)C1 1588358202 VGLBSGLLECVNGL-PXAZEXFGSA-N 386.416 -0.939 30 20 GBED C=C[C@@H](C(=O)NC[C@@H](CO)N=c1cc[nH]c(-c2nn[nH]n2)n1)c1ccccc1 1588468596 UUCRBZJGCCULEY-UONOGXRCSA-N 380.412 -0.063 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1588930711 IBLMEOPSQLSAKC-GFCCVEGCSA-N 391.461 -0.280 30 20 GBED CN(CCOCc1ccc(C#N)cc1)c1[nH]c(=O)n(C)c(=O)c1-c1nn[nH]n1 1591115119 LGIRVMOWVRNGFO-UHFFFAOYSA-N 382.384 -0.222 30 20 GBED C#CCOCCC(=O)N[C@]1(CO)CCCN(c2ncccc2-c2nn[nH]n2)C1 1602729210 JWHRDFZNDMIRIS-GOSISDBHSA-N 385.428 -0.251 30 20 GBED Cc1nn(C)c(C)c1[C@H](O)CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1607426582 ZJZKKGUXRLRERW-CYBMUJFWSA-N 391.453 -0.075 30 20 GBED COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1749844976 PHMGIGUILSYQDX-STQMWFEESA-N 386.478 -0.147 30 20 GBED N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CC(=O)NCC(F)F)CCO1 1771537784 VMBYWYWNAYRCOQ-JTQLQIEISA-N 378.343 -0.155 30 20 GBED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2 1779017221 FSSXMOSPZMLUPA-DBLWUSGISA-N 375.473 -0.184 30 20 GBED CNC(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134314 FCXBVVHGCSHJNF-HGMDMCOWSA-N 376.413 -0.336 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783261718 WCEJODAPIVLGMZ-APWZRJJASA-N 383.489 -0.685 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)CCC1 1784119713 YAZQYSHKVRDEMI-LJQANCHMSA-N 386.408 -0.565 30 20 GBED CC(C)(C)OC(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784781533 MCFCLMJYMPDNGC-IHRRRGAJSA-N 394.424 -0.214 30 20 GBED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 1786701152 SOZAPHGVUXFUMX-KKUMJFAQSA-N 388.424 -0.415 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn(C(F)F)n3)C[C@@H]21 1791077255 SEQZZVIYLUJKRK-GVXVVHGQSA-N 396.350 -0.041 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)C[C@@H]21 1791077588 LUNVKVPEIHYAFM-LFCXMHMLSA-N 376.434 -0.071 30 20 GBED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1793258883 WXIXTNBRGLUWDY-FVCICTRLSA-N 384.392 -0.209 30 20 GBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1795418317 DFGDUKXWCNXFBU-XOIINTDNSA-N 398.485 -0.695 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCSC(=N)N 1795584340 VFDRYBOCUONYGM-GUIRCDHDSA-N 382.486 -0.369 30 20 GBED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1795727266 WYOCSTWRCLDEEI-GNXNZQSNSA-N 399.411 -0.829 30 20 GBED Cc1cc(C(=O)NCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)no1 1801988790 NWSDQMROPKUZRS-CLLJXQQHSA-N 388.380 -0.561 30 20 GBED N#CCC(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804344077 MAFBVEPELGJVKV-IOASZLSFSA-N 384.396 -0.401 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1830056055 LCAPAOWYZRLNSB-INIZCTEOSA-N 383.474 -0.381 30 20 GBED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1830708917 PYPWYLUVSZNZRI-QMTMVMCOSA-N 393.440 -0.054 30 20 GBED COC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831212894 IGAOCRXDQYIDAR-LJQANCHMSA-N 378.425 -0.191 30 20 GBED CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1831270023 MUKBPHKJTMOXIB-NRFANRHFSA-N 399.447 -0.369 30 20 GBED C[C@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)C(F)(F)F 1832154961 LSHHNHRCRASCER-KBPBESRZSA-N 379.335 -0.330 30 20 GBED CC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834716364 RCLJCNKDZRKXLR-DKWNYTONSA-N 397.428 -0.439 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1835353965 IOVYKWRUXFSIKO-SFHVURJKSA-N 380.445 -0.921 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn(C(C)(C)C)nn1)CCO2 1838760100 JFXPVOJNPYJCKS-GOSISDBHSA-N 375.429 -0.264 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cc[nH]n4)CCO3)C2)c1 1839721911 MCLLWWBYHRNYCQ-IBGZPJMESA-N 398.423 -0.078 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)c(F)c3)C2)C1 1839807427 ZPZLEQHPFIGGTD-SFHVURJKSA-N 377.372 -0.068 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1839842722 FFBAXELMWLXYRW-SCLBCKFNSA-N 378.429 -0.469 30 20 GBED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1839890161 KXUKCTRJTNXPBP-MRXNPFEDSA-N 389.399 -0.210 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1840165878 MMPAUKIDQNKMPQ-XJKSGUPXSA-N 383.474 -0.557 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1840842811 CATWSTPUWOAKPZ-APWZRJJASA-N 389.456 -0.216 30 20 GBED C=CCOCCCC(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2 1841604846 QPPNEAFNAPBRGA-UHFFFAOYSA-N 389.389 -0.103 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844296120 LIOHEIWPNIMACQ-LSDHHAIUSA-N 381.473 -0.587 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)NS(=O)(=O)CC 1847782776 FAWAJORIQNCCRQ-KBXIAJHMSA-N 385.486 -0.446 30 20 GBED CCN(C(=O)Cn1cc(C(=O)OC)cc(C#N)c1=O)[C@@H]1CCS(=O)(=O)C1 25963564 AZVWWOZJIWHQBC-CYBMUJFWSA-N 381.410 -0.458 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 268718050 JREPTVAEVFBDBK-DGCLKSJQSA-N 385.467 -0.129 30 20 GBED Cn1cnc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 271105303 VCSASYKKRYVQKB-UHFFFAOYSA-N 389.441 -0.097 30 20 GBED C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 286672380 BORWAELYBYMUQQ-OAHLLOKOSA-N 388.476 -0.122 30 20 GBED COCCN1CCN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 297678550 DHDOXIVMKWKEEV-UHFFFAOYSA-N 386.456 -0.608 30 20 GBED COCCNC(=O)/C(C#N)=c1/s/c(=C\c2ccnn2C)c(=O)n1CC(C)C 298325523 VOTLWNHWAJHMSX-QIMRWHRKSA-N 389.481 -0.435 30 20 GBED C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1ccc(O)nn1 348391361 TVMGJZFPOWUBOD-MNOVXSKESA-N 392.459 -0.423 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N=c1nc[nH]n1C 349468759 JRKWEMCXMWYUHO-LLVKDONJSA-N 398.470 -0.040 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1 349488917 GEYBQGWZKBVDTH-AVGNSLFASA-N 377.488 -0.615 30 20 GBED CN(c1ccn(C)n1)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@](F)(C#N)C1 349489174 FKUPUYZIAGMTTQ-CYBMUJFWSA-N 393.466 -0.156 30 20 GBED N#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N1CCn2ncnc2C1 349502702 OKRMCJHSFYSANT-UHFFFAOYSA-N 388.475 -0.869 30 20 GBED N#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nncs2)CC1 349515987 CCVCJDUQENQOMW-UHFFFAOYSA-N 394.504 -0.859 30 20 GBED CNCCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 423003689 NAUXFQJVNQXVHC-UHFFFAOYSA-N 393.469 -0.931 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1C 480960216 KFEPBPJNROMAIR-UHFFFAOYSA-N 379.463 -0.217 30 20 GBED CN1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 498848693 FSXBSNWRSUXLRI-CVEARBPZSA-N 397.435 -0.093 30 20 GBED N#Cc1ccc(NCC(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 502715459 JDAMRFNLPXBNAX-JKSUJKDBSA-N 378.454 -0.416 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)nn1CCC#N 504503574 SPUMXBSLMBHKEJ-AWEZNQCLSA-N 388.428 -0.107 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1cncc(C#N)c1 564400721 SXNOXEQNGNRNGQ-ZDUSSCGKSA-N 382.398 -0.978 30 20 GBED COCC(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 567314683 QLQWAPYETVIYKQ-UHFFFAOYSA-N 380.426 -0.846 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)CCO1 619710075 AVCVNHBKQUYUMK-OAHLLOKOSA-N 378.454 -0.025 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cc(CNS(C)(=O)=O)ccc1OC 646950698 HAQKMGNDIWCFER-CYBMUJFWSA-N 397.453 -0.427 30 20 GBED CC#CC[C@H](CO)NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 649192481 IXXSZHMTAACUNB-CQSZACIVSA-N 383.470 -0.231 30 20 GBED C=CCCn1cc(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)nn1 653580762 CFIKCCRIYREGFJ-HNNXBMFYSA-N 396.517 -0.725 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734037896 RKEZZJCIZFVEGP-NEPJUHHUSA-N 393.421 -0.632 30 20 GBED N#Cc1ccc(CNC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 745479339 SIIBKUHYCFXKPS-KNCCTNLNSA-N 397.387 -0.120 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 748433394 FURZSNGWQVMXKH-UHFFFAOYSA-N 389.368 -0.891 30 20 GBED C#C[C@H](C)N(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 773942357 CDSIEQACIQPLFG-LBPRGKRZSA-N 392.437 -0.774 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(-c3nn[nH]n3)s2)c1=O 823861324 DPDPCTHOFNWJFL-UHFFFAOYSA-N 397.445 -0.966 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H](O)CC1 848959715 PGUSBGUBJITICL-CQSZACIVSA-N 377.488 -0.658 30 20 GBED N#CCN1CCN(S(=O)(=O)C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 961065374 VAWIEFCWSURACF-LEOABGAYSA-N 380.470 -0.908 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@@H]2O)nn1 964280008 YSECIHZGLQJNAK-COMQUAJESA-N 390.444 -0.943 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc(C)c(C)[nH]c2=O)C[C@@H]1O 964615418 QWHMNJNRTTZJLX-KBXIAJHMSA-N 390.440 -0.331 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn(CCOC)c2)C1 969669762 ITDGPMXMDJAFHV-NCOADZHNSA-N 392.456 -0.188 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccn(C)n2)C1 990877437 YHHNWEMECRDGTM-OJLVUWQFSA-N 385.428 -0.215 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCc2nc(O)n[nH]2)[C@H](c2cn(C)cn2)C1 1070537059 HXSOXAQOGUDCHT-OSRDXIQISA-N 387.444 -0.081 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc(S(N)(=O)=O)o1 1110765638 JOUIIDMKEDHEEI-UTUOFQBUSA-N 382.442 -0.436 30 20 GBED Cn1c(N2CCN(C(=O)Cn3cnnn3)CC2)nnc1[C@@]1(C#N)CC12CCCC2 1122973601 IBQZPQRTDRJNPS-SFHVURJKSA-N 396.459 -0.124 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCC(=O)N2CCOCC2)CC1 1258332326 HSISLOBNUPKMAW-UHFFFAOYSA-N 385.424 -0.818 30 20 GBED C#CCCCNC(=O)C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1261399542 WGWUEJMXQRKABR-UHFFFAOYSA-N 396.425 -0.139 30 20 GBED C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CCO1 1325208491 YJTRZAAGSOTJSN-MELADBBJSA-N 396.444 -0.122 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@@]4(CO)C3)CC2)c1C#N 1344966261 ZVOGGDPZKHVHIM-SJCJKPOMSA-N 375.454 -0.187 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3cnn[nH]3)cn2)cn1 1575021706 IWWHEZCZUIGPCQ-OAHLLOKOSA-N 391.391 -0.236 30 20 GBED N#Cc1c[nH]c(C(=O)NCCN2CCN(C(=O)CCCc3cnn[nH]3)CC2)c1 1577712747 XNFNLSCANQSJKX-UHFFFAOYSA-N 384.444 -0.099 30 20 GBED C#CCN(C(=O)[C@H]1C[C@H]1C(=O)OC)C1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 1588461264 JNCIISGTLQTYPH-CBBWQLFWSA-N 376.409 -0.031 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)O)c1 1588486290 RCKJNPGSIMCVBO-AWEZNQCLSA-N 393.421 -0.597 30 20 GBED Cc1nn(CCS(=O)(=O)c2ccc(C#N)cn2)c(=O)c(-c2nn[nH]n2)c1C 1592437089 LHDWIXIAGXROBT-UHFFFAOYSA-N 386.397 -0.219 30 20 GBED N#Cc1ncc(N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)nc1-c1nn[nH]n1 1592708342 KNPXIEJZPYOQDS-JTQLQIEISA-N 389.445 -0.173 30 20 GBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@@H]1O 1602742306 AWBWUUYJHQGDMN-CVEARBPZSA-N 390.407 -0.454 30 20 GBED Cc1nc2c(-c3nn[nH]n3)cnn2c(C)c1CCC(=O)N[C@H]1CCCN(O)C1=O 1609454607 OMNAHTIWLUFESZ-ZDUSSCGKSA-N 399.415 -0.045 30 20 GBED CS(=O)(=O)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CC1 1750191826 VPXYSOVOCULCEY-VXGBXAGGSA-N 394.457 -0.465 30 20 GBED Cc1nnc(S)n(N=Cc2ccc(S(=O)(=O)NCC(=O)O)cc2)c1=O 1776029563 BZRVDPLPDGIYIE-UHFFFAOYSA-N 383.411 -0.519 30 20 GBED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)CN)CCO3)c1 1781963054 CNYFCGTVGDCQCO-YJBOKZPZSA-N 375.404 -0.573 30 20 GBED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21 1786366110 GOJNQLTWOJTQHV-UBHSHLNASA-N 384.396 -0.058 30 20 GBED O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1786560024 GRUAEEKGZMHHCX-BZSNNMDCSA-N 394.435 -0.296 30 20 GBED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@H]2C1 1786893800 NHPJKJDSFXDXQV-XQLPTFJDSA-N 399.513 -0.052 30 20 GBED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1791440820 JNVNFOZYKCZXDN-ATIWLJMLSA-N 377.485 -0.118 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC(N)=O 1796321719 ZZUAUBFFBWRZED-ZQNQSHIBSA-N 396.488 -0.404 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1800451780 FEJPHJNEEMBXMP-XFMPKHEZSA-N 381.429 -0.905 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCc1ccccc1)C2 1800776201 ZMZFKCHEZIXIHP-CWPLJXCYSA-N 386.404 -0.119 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)CN2CCCC2=O)[C@@H]1c1cccnc1 1806925175 CQDPWZMLJZBKPT-QRWLVFNGSA-N 398.419 -0.202 30 20 GBED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C)C2)C1 1831406217 AUJABCLOIPBRGY-LJQANCHMSA-N 383.489 -0.013 30 20 GBED COCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834972657 ZNGXZNNLBYSDQI-LOTLTSSJSA-N 399.444 -0.382 30 20 GBED Cn1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)n1 1836059060 DVIDRFYBCFYENF-SFHVURJKSA-N 375.429 -0.277 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2 1837367335 VKZSDVCUFCKLTR-GOSISDBHSA-N 376.413 -0.878 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(=O)C3)C2)C1 1837405569 VKMRWAQPJLQNOP-OXJNMPFZSA-N 394.468 -0.005 30 20 GBED Cc1c[nH]cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042739 MVVIPWAVSOIAQX-GOSISDBHSA-N 375.381 -0.519 30 20 GBED COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840158591 NITSORJELXEBGA-CZUORRHYSA-N 376.475 -0.576 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1840173767 PYUOTLQANQJZGS-LIXSYLKWSA-N 377.441 -0.146 30 20 GBED O=C1NC[C@@H](C(=O)N2CCCC23CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)O1 1841648886 DJRCYAAHGHPUOA-WLYVWDQKSA-N 380.401 -0.173 30 20 GBED Cn1c(=O)c2c(ncn2CC(=O)[C@H](C#N)C(=O)Nc2ccccn2)n(C)c1=O 138923882 UMUQFEYKMPFJHH-JTQLQIEISA-N 381.352 -0.824 30 20 GBED CN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1=O 267381963 OYKROPIAARQSHF-JTQLQIEISA-N 379.373 -0.622 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1CCN(C)CC1 268757908 YLPJDWPYYDCSBU-CQSZACIVSA-N 379.486 -0.411 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1 271943250 BCFFXNFZEQTSEN-UHFFFAOYSA-N 394.453 -0.174 30 20 GBED CN(C)c1ncc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)n1C 287135046 XSOAVAGOMRCBEQ-UHFFFAOYSA-N 396.455 -0.282 30 20 GBED CCN(C)C(=O)CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 289163134 UNWMDEPKYBUSTI-OAHLLOKOSA-N 385.424 -0.236 30 20 GBED C[C@@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(C#N)cn1 349481408 ZWLOQBMKMKQNBE-NSHDSACASA-N 376.460 -0.273 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N[C@]2(C#N)CC2(C)C)C[C@H]1CO 349528442 TXDBJHBCGCANCA-IPYPFGDCSA-N 393.531 -0.122 30 20 GBED CCN(CCC#N)S(=O)(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 409509964 LBBVVAYQFBUYHX-LLVKDONJSA-N 381.501 -0.047 30 20 GBED C[C@H](C#N)S(=O)(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 416448535 HDVGVAXDASQZME-SNVBAGLBSA-N 387.439 -0.338 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NC[C@@H](N2CCNCC2)C(F)(F)F)nn1 424551967 XFRUQHYYGRPOMG-GFCCVEGCSA-N 389.382 -0.967 30 20 GBED C=CCN(C(=O)C(=O)NCC(=O)N(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 446053858 PRWRQXVZRWLNLO-ZDUSSCGKSA-N 385.428 -0.058 30 20 GBED CN(C)CCn1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1 448494377 FEZPANWIMMRCAW-UHFFFAOYSA-N 396.455 -0.001 30 20 GBED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCNS(=O)(=O)N(C)C)C2)n1 457810215 YSVOLOODMYJIAS-HNNXBMFYSA-N 394.501 -0.010 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cc(C)c(=O)n(C)c3)CC2)c1C#N 472870807 PXZCDOCSMDGBPS-UHFFFAOYSA-N 397.439 -0.105 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@@H](O)CC[C@H]2C1 514873928 UPQUFOLNIQXOCB-XQQFMLRXSA-N 379.504 -0.369 30 20 GBED CC(=O)N1CC[C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)C1 521069902 XBOPWRXPSDFHCB-GFCCVEGCSA-N 386.455 -0.612 30 20 GBED C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCCn1cnc(C#N)n1 557662400 BLXVKHVNEJURRX-CQSZACIVSA-N 384.318 -0.102 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(Cc3ncc[nH]3)CC2)cc1 571932493 UTPYIWKZUIKIOF-UHFFFAOYSA-N 388.453 -0.096 30 20 GBED C#CCN1CCN(C(=O)CN(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 748816867 LUTLGONQYHYWHH-DLBZAZTESA-N 383.514 -0.568 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2ccn(-c3ccccc3)n2)c(=O)n(C)c1=O 766714908 JRWNHEARYYLVKJ-UHFFFAOYSA-N 388.409 -0.418 30 20 GBED CSCc1cnc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)s1 814883163 CNDKHRDQONRHDP-UHFFFAOYSA-N 389.484 -0.284 30 20 GBED C=CCn1cc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nn1 830136386 VUOSUAJSKNFMCO-UHFFFAOYSA-N 393.425 -0.373 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 848957536 MKAWDWIPDBSABM-QKPAOTATSA-N 399.494 -0.620 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@H]1C 940383080 FPSXQXQIELRFPM-SYQHCUMBSA-N 392.456 -0.129 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C3CCC3)nn2)C1 964545254 ZHUCKCMXUGFQMY-VDERGJSUSA-N 375.429 -0.104 30 20 GBED C#Cc1cncc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@H]32)c1 975069102 JDZKQISLJGVCCV-MXASKKJJSA-N 382.420 -0.231 30 20 GBED COCC#CCN1CC(N2C[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2=O)C1 1108555732 XJMHMVURXLRXQV-JHDROBOHSA-N 375.469 -0.147 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC(=O)NCC(F)(F)F 1109910025 ZTCPGWNHBHVSLA-VWYCJHECSA-N 375.351 -0.584 30 20 GBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 1118180419 OSZPSYTWTZRQEG-QWHCGFSZSA-N 395.441 -0.543 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCc1nc([C@H]2CC[C@@H](CNCC(N)=O)O2)n[nH]1 1130807167 RNDMNACMLGCEPT-QNWHQSFQSA-N 378.433 -0.693 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)CC1 1261948540 DWFXMGVLBSYCJI-UHFFFAOYSA-N 384.502 -0.611 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](O)CN1CCCC1=O 1322159827 UPRWYZSCONWTMW-CYBMUJFWSA-N 377.372 -0.124 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC2)nc1 1328138451 KPCUBYDEJZGXEY-CVEARBPZSA-N 396.451 -0.271 30 20 GBED C#CCN1CCCC[C@H]1c1nnc(N2CCO[C@H](C(N)=O)C2)n1CCOC 1341505983 KRNTUBOYVLHGMR-GJZGRUSLSA-N 376.461 -0.225 30 20 GBED C=CCN(CCOC)C(=O)C(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 1344926511 YGQVKPYNFHZARG-CYBMUJFWSA-N 379.417 -0.111 30 20 GBED COC[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1346481750 RGWCTHGTDUUZNV-CYBMUJFWSA-N 394.453 -0.458 30 20 GBED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@H](C#N)C(=O)N1CCCC1 1347064449 YVTLIHNKCHPVCH-AWEZNQCLSA-N 394.453 -0.009 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCC[C@@H](OCCO)C3)CC2)nc1 1348135930 KURXDRSCXTZTFT-MRXNPFEDSA-N 387.440 -0.398 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[nH]n2)c(C)n1 1573286880 JNRXXYRSBWTYHM-ZIAGYGMSSA-N 385.428 -0.070 30 20 GBED C[C@H](C#N)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCO2)C1 1573567707 RGELGSZSHRMEGF-DIFFPNOSSA-N 384.400 -0.202 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@H](CS(N)(=O)=O)C1 1581855525 DVGKCXDGBRDSMF-JSGCOSHPSA-N 389.441 -0.314 30 20 GBED N#Cc1cn(CCC(=O)N2CCc3cc(-c4nn[nH]n4)ccc32)c(=O)nc1O 1581877013 OUGHOCJGHMTBKX-UHFFFAOYSA-N 378.352 -0.020 30 20 GBED C#C[C@@H](C)N(C)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1C[C@@H]1CCCO1 1588326892 XQNYDPJDNFICBR-NEPJUHHUSA-N 383.420 -0.265 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCNc1ncccc1-c1nn[nH]n1)[C@H]1CCCO1 1588327440 JEDUBMLTFOODQX-QWHCGFSZSA-N 384.400 -0.913 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 1592665248 NBFCCLZUOJQKBA-QWHCGFSZSA-N 380.368 -0.688 30 20 GBED C=CCOCC(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[nH]n2)C[C@@H]1O 1602868596 QNQYFUIUFOSBRR-QWRGUYRKSA-N 379.446 -0.110 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC(CC#N)C1 1603675429 RLXHZJACPLXMHW-SNVBAGLBSA-N 375.414 -0.094 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N[C@H]2CCc3cc(-c4nn[nH]n4)ccc32)C1 1609494415 CZSAUUKMHGCBHP-KBXCAEBGSA-N 381.396 -0.153 30 20 GBED COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cc(C#N)nn3)CC2)cc1 1613834085 KJQSSXUMUASHPM-UHFFFAOYSA-N 390.425 -0.309 30 20 GBED N#Cc1ccc(N2C[C@@H](C(=O)NCc3nnc4c(=O)[nH]ccn34)CC2=O)cc1 1616673928 ZWESLGWYTSSTHR-LBPRGKRZSA-N 377.364 -0.041 30 20 GBED CN(C)S(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](C#N)C1 1617710316 ZINNMQNCWDSQSX-CYBMUJFWSA-N 391.457 -0.040 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21 1784503335 XEOBVBWIWTYIOC-UGUYLWEFSA-N 377.445 -0.151 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)[C@H]2C1 1790630357 MPWOCHATGNXCEM-LFCXMHMLSA-N 376.434 -0.071 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(Cl)c1 1794415598 CBBVPOZOKSQLKY-CULMDFNYSA-N 393.783 -0.268 30 20 GBED CN[C@@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)NCCC#N)C(=O)O 1796045154 MWMWGJKZXWDXGE-XGUBFFRZSA-N 393.488 -0.031 30 20 GBED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(N)=O)C3)c1 1799750828 WKIIALLLDBMHPR-DRXBFXEBSA-N 389.387 -0.431 30 20 GBED COc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c1 1800775818 IJSYYNHLLWHRTN-YVWYUNDQSA-N 386.404 -0.085 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1803544874 YCCXXHCNMHZODM-HFTRVMKXSA-N 397.439 -0.188 30 20 GBED CCS(=O)(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825661563 XFJIPEIJMRTIOR-SECBINFHSA-N 399.450 -0.422 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1830059436 BXWYIHRBCCTCMT-QGZVFWFLSA-N 378.385 0.000 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnco3)CCO2)C1 1831927587 NLFSRVABPXCORA-KDOFPFPSSA-N 377.397 -0.217 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835304502 XAORVFDROLVTFZ-RDTXWAMCSA-N 397.497 -0.359 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1836217116 QBSNSUKMOPLRPF-FRQCXROJSA-N 380.441 -0.340 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCN(C)CC1)CCO2 1836678594 XQMJUUABZCRHDJ-HXUWFJFHSA-N 392.500 -0.896 30 20 GBED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1840294404 BAEQHVLGLHOALQ-IBGZPJMESA-N 379.457 -0.098 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CNC(=O)C(F)(F)F)C2 1841602825 YMNQCWRMTNVOLP-NSHDSACASA-N 375.347 -0.093 30 20 GBED Cc1ccn2c(=O)c(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)cnc2c1 1843787942 GMALCFRPOJQECT-UHFFFAOYSA-N 394.387 -0.092 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)CN(C)C)CC2)CC1 91538608 FTBYKXZTIYZPLF-QGZVFWFLSA-N 378.521 -0.615 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@@H]2C(=O)N[C@@H](C)CC)C1=O 264229611 WDBRZTNDUKSTAL-WDEREUQCSA-N 382.442 -0.221 30 20 GBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 270751151 UCMVMPZWDHQPIY-GOEBONIOSA-N 390.465 -0.101 30 20 GBED C=CCN(CC=C)C(=O)[C@@H](C)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 276402006 KPAHYIVYNMWBTB-CQSZACIVSA-N 376.461 -0.462 30 20 GBED CN(C)CC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 289361813 AERSGAQEZKAQBQ-UHFFFAOYSA-N 393.469 -0.931 30 20 GBED C[C@H](O)CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 291209983 KPFVVLGYDZBEOJ-AWEZNQCLSA-N 380.470 -0.296 30 20 GBED O=C(C1CCC1)N1CCN(CC/N=C(/O)N2CCN3CCOC[C@H]3C2)CC1 329858688 WEUNAUFJCXLFQU-QGZVFWFLSA-N 379.505 -0.139 30 20 GBED CN(c1ccc(C#N)nc1)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCOC1 349581064 VTMIXGVZYSSWHV-ZDUSSCGKSA-N 388.471 -0.182 30 20 GBED C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)CCCCS(=O)(=O)NCC#N 349617089 MRKZFDNAMJNSDZ-JWCBKOKGSA-N 385.533 -0.619 30 20 GBED COCCN(CCC#N)S(=O)(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 409557071 PHSGWIODVWABJF-ZDUSSCGKSA-N 383.492 -0.771 30 20 GBED CC(C)(C)S(=O)(=O)N1CCC(NS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 410389275 UGMMRWSJYOWCFM-ZDUSSCGKSA-N 394.519 -0.362 30 20 GBED CCOC(=O)c1n[nH]c(C2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)n1 410391321 TZILIWKMQGXSAO-LBPRGKRZSA-N 398.445 -0.370 30 20 GBED C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 420064575 OTPJSMZNRSXVIN-DZGCQCFKSA-N 386.456 -0.169 30 20 GBED C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 571212964 CJCOKDPEIIXYEB-VXGBXAGGSA-N 385.467 -0.129 30 20 GBED CN1CCC[C@@H](N2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)C1 588126142 BHHPGPVOIXTZNS-QGZVFWFLSA-N 376.505 -0.671 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C 588905507 HYNCGROQUCWJIG-CHWSQXEVSA-N 381.524 -0.284 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CCC(N)=O)cc1 594628037 YIKRCFWWDAQTQK-NSHDSACASA-N 388.471 -0.237 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)CC2)c1C#N 597552826 LHDLVHVMWZIKSI-CYBMUJFWSA-N 395.489 -0.836 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](CC(N)=O)C1 600679376 IXAXSKBHTRMMQO-AAEUAGOBSA-N 380.426 -0.672 30 20 GBED N#Cc1cccc(OCC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 750646842 LKQANUMLWCPZBQ-CVEARBPZSA-N 379.438 -0.761 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 758039317 CAGDEVYZCOHBDS-UHFFFAOYSA-N 396.428 -0.537 30 20 GBED COC(=O)C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 796936376 SCAYUTJDAIWMGC-GXFFZTMASA-N 398.393 -0.127 30 20 GBED C=C[C@@H](O)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 814548221 QYIAMJIUFLBNNJ-CQSZACIVSA-N 384.410 -0.264 30 20 GBED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 815860983 KVQILRRTMOTVID-UHFFFAOYSA-N 387.440 -0.828 30 20 GBED COc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(O)C2=O)cc1OC 848137910 KEGSFPARESHGFN-LLVKDONJSA-N 387.414 -0.522 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2cc(=O)n3cc(C)sc3n2)CC1 930118303 GMYFQLYEGJESHY-UHFFFAOYSA-N 381.483 -0.350 30 20 GBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)nn1 969289217 KBUZCNJFBICHKJ-PXMRGAAZSA-N 375.429 -0.275 30 20 GBED C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)N[C@H](C)COC 1109065978 SSUFWVXRELSDKZ-KBXIAJHMSA-N 382.461 -0.229 30 20 GBED C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC(=O)NC)CCOCC1 1110651113 OCNIMHDTNCIERP-KFWWJZLASA-N 376.457 -0.016 30 20 GBED C=CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1111870023 XCBSMRBIBIOTNM-QOIOWGMHSA-N 392.500 -0.105 30 20 GBED C=CCN(C(=O)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O)[C@@H](C)COC 1118633583 YXMVQXILZMDABE-UONOGXRCSA-N 377.445 0.000 30 20 GBED O=C(CCCS(=O)(=O)N1CCCC1)NCCN/C(O)=C1/N=CC=CC1=O 1318695122 URZDDRBNKOYNPI-NXVVXOECSA-N 384.458 -0.165 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 1323701994 YGYUOJTUHRHCHS-VXGBXAGGSA-N 380.488 -0.825 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCC(C(=O)NCC(=O)OCC)CC1)[C@@H]1CCCO1 1324238188 DLFPQWNJGXSWLT-CABCVRRESA-N 393.440 -0.799 30 20 GBED C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 1325696881 BIDNPCKQWUPYIK-IBGZPJMESA-N 375.473 -0.095 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)C1 1345879290 DLFHMQPUJODOMW-FCEWJHQRSA-N 378.473 -0.252 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCc2cccc(C(=O)NC)c2)CC1 1346610637 OKBFMAKHOPKSHG-UHFFFAOYSA-N 398.463 -0.307 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2CCc2cccc(C)c2)CC1 1355515849 SWLKNMDNKAOCNI-UHFFFAOYSA-N 389.485 -0.186 30 20 GBED Cn1cc(C#N)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)n1 1435363216 YOLKKRNVOGRIDI-UHFFFAOYSA-N 378.414 -0.097 30 20 GBED N#Cc1cn(CCC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c(=O)nc1O 1557816648 ZEUJBWBWRYINMV-CYBMUJFWSA-N 375.385 -0.893 30 20 GBED C=CCOCC(=O)N[C@@H](C)[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1573343598 QWGHKDPIGHEJLT-FZMZJTMJSA-N 389.416 -0.257 30 20 GBED C=C[C@H](CC)CC(=O)NC[C@]1(O)CCN(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575077925 DIAANWFBGXOMHF-FZKQIMNGSA-N 392.460 -0.507 30 20 GBED N#C[C@]12CN(C(=O)COc3ccccc3-c3nn[nH]n3)C[C@H]1CS(=O)(=O)C2 1581860330 VVQLQJKXLGCKSU-MEDUHNTESA-N 388.409 -0.358 30 20 GBED N#Cc1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)C[C@@H]32)c[nH]1 1581864832 QIFSVZQHLTZQBR-YABSGUDNSA-N 377.368 -0.105 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1OC 1588358476 XRNBLDBSHJUHJS-LERXQTSPSA-N 387.400 -0.811 30 20 GBED C#Cc1ccc(C(=O)N(C)C[C@H](O)CN=c2cc(C)[nH]cc2-c2nn[nH]n2)nc1 1588364565 GQMOBFSJPAFCGN-CQSZACIVSA-N 392.423 -0.087 30 20 GBED C=CCNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588658989 WXRKYXDGVQFYBG-SNVBAGLBSA-N 389.420 -0.743 30 20 GBED N#CCSCC(=O)NC[C@@H]1COCCN1c1cncc(-c2nn[nH]n2)n1 1592679486 RSFKFQJKDGCMOC-SNVBAGLBSA-N 375.418 -0.765 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O 1602731695 AYJDCHHESGSGPW-UHFFFAOYSA-N 385.315 -0.081 30 20 GBED C=CCOCC(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1602868208 JGUFJWLDZDUNOK-INIZCTEOSA-N 375.389 -0.909 30 20 GBED CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)C#N 1617392969 ODXHWSXTKPIVOB-RYUDHWBXSA-N 383.478 -0.236 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1778563643 BBAOSKXFCRICKP-LJQANCHMSA-N 386.408 -0.249 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1781264422 ZMOSNDILIRLHAT-YJYMSZOUSA-N 395.456 -0.163 30 20 GBED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1783679484 AJLOQKWQBKVAGO-AVGNSLFASA-N 391.428 -0.932 30 20 GBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cc(C)c(O)nc1=O)CCO2 1783920619 WUQHKEJLAFXTQX-SFHVURJKSA-N 376.413 -0.337 30 20 GBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)CC)[C@H]2C1 1784444590 PZUDRJHUWFGGAW-VGWMRTNUSA-N 399.513 -0.293 30 20 GBED C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786701046 HRSNVPFDYRTTHF-AJNGGQMLSA-N 385.486 -0.049 30 20 GBED C[C@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786859567 PNASOGULDDPBIF-VGWMRTNUSA-N 393.488 -0.618 30 20 GBED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(=O)(=O)N3CCCC3)[C@H]2C1 1787503904 LCDKRUFRSGMBSR-KKUMJFAQSA-N 398.485 -0.695 30 20 GBED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)NC(=O)OCC)[C@H]2C1 1788476556 ZOIUOTIOAQNCGU-YRBFXIGRSA-N 395.456 -0.166 30 20 GBED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1)n1cnnn1 1789347514 ONCYEACABLDSLC-PCBIJLKTSA-N 398.427 -0.273 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC=O)[C@H]2C1 1789881452 QOMVKSIAEGILDI-VGWMRTNUSA-N 395.456 -0.390 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ncccc12 1796276890 JNZFVPOFTLGJLD-DPIQGUFMSA-N 383.364 -0.980 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)NC(N)=O)C2 1797710265 IRLDZLQHHYTGRK-QKGCVVFFSA-N 396.488 -0.404 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1830059435 BXWYIHRBCCTCMT-KRWDZBQOSA-N 378.385 0.000 30 20 GBED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835312423 XEVDGJVDIAKDQH-UZLBHIALSA-N 391.468 -0.085 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1839811967 ZIFALDULCPNFNX-OAQYLSRUSA-N 399.447 -0.186 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1839844565 OACOAAKLZQNDJH-MAUKXSAKSA-N 377.445 -0.053 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840409939 LPIHDZCSFGHNCS-SUMWQHHRSA-N 396.469 -0.370 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1840480253 PIHSEDYVUPATQM-DAYGRLMNSA-N 392.460 -0.097 30 20 GBED C=CCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 266017734 NXVMLXTUCPDHGD-GFCCVEGCSA-N 393.469 -0.147 30 20 GBED C=CCNC(=O)CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 271986150 KRARFGZSRFSUSU-UHFFFAOYSA-N 385.402 -0.526 30 20 GBED C=CCS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)NCCOC)cc1 273037316 FQRHKOGXYAOQCD-UHFFFAOYSA-N 390.483 -0.058 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1c(F)cc(C#N)cc1F)C2 276394534 NIMZWWARTGJELH-UHFFFAOYSA-N 390.350 -0.061 30 20 GBED Cc1cc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)ccc1C#N 278053487 RSSOZIJSJLTXQQ-CVEARBPZSA-N 399.494 -0.357 30 20 GBED C[C@H](O)CN1CCN(c2ccc(C#N)c(N3CCN(C[C@H](C)O)CC3)n2)CC1 278192715 DSKAFGFDDBREQP-IRXDYDNUSA-N 388.516 -0.041 30 20 GBED COCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 291614997 SUARGSGWYOCUTH-FZMZJTMJSA-N 383.426 -0.081 30 20 GBED CCS(=O)(=O)N1CCC(/N=C(/O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 328795868 CTEBPNBOAGLMAB-AWEZNQCLSA-N 398.489 -0.157 30 20 GBED COCc1nc2n(n1)C[C@@H](/N=C(/O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)CC2 329481554 PRAPGGKHUPZTQL-RYUDHWBXSA-N 386.478 -0.381 30 20 GBED C[C@@H]1CN(/C(O)=N/CCS(=O)(=O)N2CCSCC2)C[C@@H](C)S1(=O)=O 329645602 DJRXSRMFECYLCU-VXGBXAGGSA-N 399.560 -0.214 30 20 GBED C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)CCCS(=O)(=O)NCC#N 349487657 XRNUKVGINAUUAL-KGLIPLIRSA-N 378.520 -0.292 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](n2cccn2)C1 349490198 GNFXLWHMRSKUEE-ZDUSSCGKSA-N 375.476 -0.365 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)ccc1C#N 349518681 OFNMODAGTCUCTN-ZDUSSCGKSA-N 388.471 -0.210 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2CCO[C@@H](CN)C2)CC1 423144921 IILBQDLTESEALJ-ZDUSSCGKSA-N 375.404 -0.468 30 20 GBED C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCO[C@H]1C=C 451857191 GNHDVKZMMIAJHH-KBXIAJHMSA-N 394.515 -0.098 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCS(=O)(=O)c3ccccc3C2)C1=O 477231596 MQKFYGYHQAIMHN-UHFFFAOYSA-N 391.405 -0.221 30 20 GBED CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccnn2C)c1=O 484643108 MTKWSAANZZHXFT-UHFFFAOYSA-N 389.506 -0.258 30 20 GBED Cn1cc(S(N)(=O)=O)cc1CC(=O)N(CCC#N)CCN1CCOCC1 486047996 OYUGWHKABOQSCJ-UHFFFAOYSA-N 383.474 -0.711 30 20 GBED COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC)C1=O 500354320 CNYCICVUBYHUDP-GFCCVEGCSA-N 388.380 -0.214 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C 504980999 NNRSHYRNIQKNJH-UHFFFAOYSA-N 379.388 -0.009 30 20 GBED Cc1nnc(SCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)n1CC(N)=O 537070852 VVOMXIYXKRKDQO-CYBMUJFWSA-N 379.490 -0.144 30 20 GBED CC(=O)N1CCN(c2ccc(C(=O)NCC(=O)NCC#N)cc2[N+](=O)[O-])CC1 561469871 XBHDOBBZGJEHEU-UHFFFAOYSA-N 388.384 -0.367 30 20 GBED N#CCNC(=O)CNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 571189233 RBFDJTNNBVMXOD-UHFFFAOYSA-N 378.332 -0.260 30 20 GBED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(CC)c1 576740174 PGRKCHICYZPKBC-ZBFHGGJFSA-N 377.445 0.000 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(=O)n(CC(N)=O)c1 593237093 GHKBHFGNYISUJF-GFCCVEGCSA-N 396.411 -0.262 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NC2(C(N)=O)CCC2)cc1 594623483 JXCPDBMKVYOFBM-JTQLQIEISA-N 386.455 -0.437 30 20 GBED Cn1cnc2c1c(=O)n(CC(=O)O[C@H](C(=O)O)c1ccc(C#N)cc1)c(=O)n2C 739057965 OEOMOCJSEFMALE-AWEZNQCLSA-N 397.347 -0.326 30 20 GBED C#CCN1CCN(C(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 746257720 DVXXDZFOTJRKCH-MRXNPFEDSA-N 382.420 -0.306 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 765407052 XEWZSLYSJXFOIU-OAHLLOKOSA-N 394.472 -0.484 30 20 GBED COc1cc(C=NN2C(=O)CNC2=O)ccc1OCC(=O)N1CCOCC1 770607335 JQRRIKSIYZTBIP-UHFFFAOYSA-N 376.369 -0.182 30 20 GBED Cc1nc2scc(C)n2c1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771888559 DVPPVUKQLUPGNZ-UHFFFAOYSA-N 396.454 -0.278 30 20 GBED Cc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1[N+](=O)[O-] 771889931 MMVRCNOVOCWNTN-UHFFFAOYSA-N 381.370 -0.387 30 20 GBED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)c1 783459916 YJZAGATUNMRTAG-UHFFFAOYSA-N 396.407 -0.354 30 20 GBED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 787773629 BPCUCRXFDQBIPA-ZDUSSCGKSA-N 394.457 -0.978 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2n[nH]cc2c1 794922619 KLOIMXDKFTWKLR-UHFFFAOYSA-N 376.398 -0.337 30 20 GBED C#CCNC(=O)CCNCc1ccccc1S(=O)(=O)N1CCN(C)CC1 819082328 PPXLKNLWYFIVHQ-UHFFFAOYSA-N 378.498 -0.148 30 20 GBED COC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 831067506 SLRAVSMLARIFLQ-CABZTGNLSA-N 383.382 -0.642 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(CCC)[C@H]2CCS(=O)(=O)C2)c1=O 835957529 OWAHEXKNEWAMAO-AWEZNQCLSA-N 398.485 -0.600 30 20 GBED CO[C@@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@H](C(=O)O)C1 851622256 LTIRACCVLQSDRD-PWSUYJOCSA-N 381.410 -0.184 30 20 GBED COCCCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1 853721338 COWNWOGVOWWCDU-LBPRGKRZSA-N 383.426 -0.079 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@@H]1O 964194271 XBQSEFBPNZDLMF-AHXJXLJNSA-N 393.440 -0.805 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(OC)ncn2)C[C@@H]1O 964476582 LTXLNHWWPVMPCJ-AEIGPULVSA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(CCC)nn2)C1 970234214 NURUEKILFQVXDG-VDERGJSUSA-N 377.445 -0.029 30 20 GBED C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2c(O)nnc2O)c1 1000169149 OXIBCNJKGIJCSS-RDBSUJKOSA-N 382.380 -0.373 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2c(C)nn(C)c2C)C1 1024851482 WTMANSSZJJEXMA-DZUCGIPZSA-N 376.457 -0.142 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(CCC)nn2)C1 1025408413 TUFSRLNZRPHCDH-XNISGKROSA-N 377.445 -0.029 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCN(CCNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1055645953 MZEYIMJQPJGNKL-NCOADZHNSA-N 392.500 -0.214 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C1CC1)N1CCOCC1 1110129290 ZFJMOTJMQNVOCN-CVYDXHPNSA-N 375.473 -0.542 30 20 GBED C[C@]1(C#N)CCCN(C(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 1117337929 FTMWYHKGMNLKQO-VQIMIIECSA-N 377.489 -0.339 30 20 GBED C=C(C)COCCNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 1117557622 HQQCWIPAEARIRU-UHFFFAOYSA-N 375.429 -0.462 30 20 GBED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1117865270 INNCDUSMURKMGX-OAHLLOKOSA-N 383.452 -0.108 30 20 GBED Cn1c(-c2cn(CCCC#N)nn2)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 1123364099 BCVVXBCSKPNIGZ-LBPRGKRZSA-N 393.477 -0.105 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)NCCO)CC2)cc1 1319960017 NLMNVKKTLLIPAN-UHFFFAOYSA-N 394.453 -0.816 30 20 GBED CS(=O)(=O)NCCNC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1323225819 NWHBQKGRXBBXSY-UHFFFAOYSA-N 397.432 -0.989 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2)C1 1327517899 BBIPQBNDVJLZOC-CABCVRRESA-N 380.514 -0.424 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 1329052240 IKAQHRMPINIIPP-CQSZACIVSA-N 388.424 -0.355 30 20 GBED C[C@H]1[C@@H](C)N(C(=O)C(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC[S@@]1=O 1335886469 DVLWIDMOEYJJAC-VXKZXEGRSA-N 389.481 -0.030 30 20 GBED N#CCNC(=O)CN1CC[C@]2(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCC[C@@H]12 1581857749 IBBZRUIUVOPAKC-CXAGYDPISA-N 383.416 -0.439 30 20 GBED C#CCN(C(=O)C(=O)Nc1sccc1-c1nn[nH]n1)[C@@H]1CCS(=O)(=O)C1 1588346888 BFEWBGIXQHLYLK-SECBINFHSA-N 394.438 -0.484 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](O)CNc1nc(C)cc(-c2nn[nH]n2)n1 1588719032 WHJULYSHTZATRN-BZPMIXESSA-N 388.432 -0.213 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588723933 UHLFSMZUUKLZSI-OCCSQVGLSA-N 389.416 -0.663 30 20 GBED CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(=O)O)C1 1599756409 YGLZDSJCMLZRNJ-NSHDSACASA-N 387.439 -0.041 30 20 GBED C#CCOCCC(=O)N1CCCO[C@H](CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1602726294 CYFJJFQSORTALZ-CYBMUJFWSA-N 386.416 -0.852 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[nH]n1 1602756093 CHAUHLIKSWDLKG-TZMCWYRMSA-N 388.432 -0.378 30 20 GBED CN(C[C@@H](O)c1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1604720418 HWKTWWGUTDSXKG-KDOFPFPSSA-N 399.411 -0.764 30 20 GBED N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1771537524 PTDRHQXZMJAPNX-IOASZLSFSA-N 397.457 -0.940 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1778969774 SDLYCMULVSXLLR-KSMMKXTCSA-N 379.457 -0.332 30 20 GBED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2 1779017222 FSSXMOSPZMLUPA-UHGMPXKVSA-N 375.473 -0.184 30 20 GBED N#Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)cc1 1781042184 PHZJKVBOJUCZAV-WFXMLNOXSA-N 398.463 -0.347 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1781267688 XLAAHTIFOAANDB-LIRRHRJNSA-N 393.440 -0.396 30 20 GBED COC(=O)C12CC(C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)(C1)C2 1783446045 GORIOAXTMHZMMF-CTWPCTMYSA-N 390.392 -0.752 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccn(C)n3)C[C@@H]21 1784479732 HBVWAGDPCQJSLH-LAQRGFTBSA-N 388.468 -0.019 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nc(N)n[nH]3)C[C@@H]21 1791261857 HAIJJVBNXXHLBV-BJDJZHNGSA-N 382.490 -0.383 30 20 GBED NC[C@H](N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792835439 YWAGKURRRIRCLV-KPEUIFRASA-N 390.871 -0.433 30 20 GBED NC(=O)[C@@H](N)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C/N=C/c1ccco1)C2 1796082375 AXBOEKUZMQHDDK-FQBURUSCSA-N 389.456 -0.071 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797801615 DZHVZHSXOJHMHK-CXHZTBPHSA-N 399.513 -0.854 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC=O)C2 1799304316 DFGLQORLBKTSMC-HGTKMLMNSA-N 381.429 -0.780 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1 1800524462 MFLRHNOPRNOAFO-JAAXMTQOSA-N 379.457 -0.715 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1831391151 IIHQTFPUQNQYQB-HNAYVOBHSA-N 396.440 -0.566 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1831402824 SLQOAVKMAGZMHG-OXQOHEQNSA-N 394.468 -0.214 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1831424272 GJUQLWDZPZHEBK-CLCXKQKWSA-N 395.456 -0.688 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1831487076 JYHJNZYYVFYVAI-RDJZCZTQSA-N 397.501 -0.311 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H]1CCCCO1)CCO2 1832349836 CFKZEQRSHQGYPB-DNVCBOLYSA-N 394.424 -0.510 30 20 GBED COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1833503972 QBZRSLSJFUFSTL-KRWDZBQOSA-N 375.385 -0.531 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835972010 HAKDCXXUCMIIPE-MRXNPFEDSA-N 381.820 -0.093 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)c[nH]3)C2)C1 1840043951 DLKYTOATEBHVRA-QGZVFWFLSA-N 379.344 -0.688 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C)n3)C2)C1 1840840661 ZRKMQAHQOYEGBD-GOSISDBHSA-N 376.413 -0.210 30 20 GBED C=CCOCCCC(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1841603984 XJADAKYWGSXGEM-ZDUSSCGKSA-N 378.429 -0.229 30 20 GBED O=C(CN1C(=O)C=CC1=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844283998 NVFRFSMGRALLJM-UHFFFAOYSA-N 399.447 -0.187 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)C1=O 262727402 SZLCYNXAGZDXQP-UHFFFAOYSA-N 392.412 -0.593 30 20 GBED COc1ccc(S(=O)(=O)N2CCOC[C@@H]2C#N)cc1[C@@]1(C)NC(=O)NC1=O 266132916 BJSXYGCZZWJBQA-MGPLVRAMSA-N 394.409 -0.337 30 20 GBED CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1 268000303 BIWIIPUDJOTVCP-UHFFFAOYSA-N 387.487 -0.656 30 20 GBED COC[C@@](C)(NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 268853413 GLJFKKZWYJSISE-MEDUHNTESA-N 383.426 -0.081 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)C1=O 286909118 GNCLTGYGQDOUPR-MNOVXSKESA-N 390.362 -0.489 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(Cc3ccccn3)CC2)C1=O 297673119 CJDOXTKXXISHQL-KRWDZBQOSA-N 385.468 -0.029 30 20 GBED CC(=O)N1CCN(C(=O)CC/N=C(/O)N2CC[C@@H](C(=O)N3CCCC3)C2)CC1 329239224 QEHDKGCBJCHYCR-MRXNPFEDSA-N 393.488 -0.075 30 20 GBED C[C@H]1CN(/C(O)=N/CCS(=O)(=O)NCC2CCC2)CCN1S(C)(=O)=O 329261687 FXVKJEXPLUACKE-LBPRGKRZSA-N 396.535 -0.414 30 20 GBED CC(=O)N1CC[C@H](/N=C(/O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1 329905345 AQTPCDWLMCXTTC-AWEZNQCLSA-N 381.458 -0.077 30 20 GBED C/N=C(/O)N1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 329940287 GCQGWRBBUHMWCY-OAHLLOKOSA-N 381.477 -0.612 30 20 GBED C[C@@H](C(=O)N/C(O)=N/C(C)(C)C)N1CCN(C(=O)C(=O)N2CCCC2)CC1 330464614 VEFSLOWCQZJEBX-ZDUSSCGKSA-N 381.477 -0.030 30 20 GBED CO[C@@H]1COC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 333872841 PSPMEEOKNVTZCG-JKSUJKDBSA-N 394.453 -0.012 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 349476751 PQAABQGZKUAOSG-VMCMIOBHSA-N 391.515 -0.371 30 20 GBED C[C@H]1CC(=O)NCCN1S(=O)(=O)CCCCS(=O)(=O)N(C)[C@H](C)C#N 349602233 PYJNMLMESKGPSD-QWHCGFSZSA-N 394.519 -0.520 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 377786804 XZMYKIFLYDDJPW-GJZGRUSLSA-N 378.454 -0.184 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCCO[C@H](CN)C3)CC2)cc1 423012361 KMVOUPYAGYKLDK-GOSISDBHSA-N 385.468 -0.221 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3C[C@H](O)CC[C@H]3C2)CC1 459885578 MJUFKIDDEFQARD-IXDOHACOSA-N 392.500 -0.558 30 20 GBED C=CCOC[C@H](NC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C(=O)OC 481749326 MPYQCDWHVQSORE-PGKPSXLWSA-N 380.397 -0.601 30 20 GBED CC1CC(C#N)(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)C1 531824553 BQRWKGVYBANXMK-XOYHFGRZSA-N 382.486 -0.626 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(NS(=O)(=O)CC)c(OC)c1 540744554 LDURNVMPKCVWAB-UHFFFAOYSA-N 398.441 -0.186 30 20 GBED N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC1 573873755 YAPKIRKMHBQHDU-UHFFFAOYSA-N 381.414 -0.302 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@H]2CS(=O)(=O)NC)CC1 577944479 PNJAGHRYBLDIMX-HNNXBMFYSA-N 386.518 -0.317 30 20 GBED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@H]3C(=O)NC(=O)[C@H]3C2)CC1 590758629 HIQYCHJWANIPQM-BBWFWOEESA-N 399.426 -0.261 30 20 GBED CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)c1 592304251 GTIWNCRXGMENLV-MRXNPFEDSA-N 380.426 -0.248 30 20 GBED C#CCN1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 746257877 HDTRGDYSBAVTOG-CQSZACIVSA-N 390.465 -0.536 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)C[C@H](CNC(=O)OC(C)(C)C)OC)CC1 767863616 LBCXWNURYOGNPR-OAHLLOKOSA-N 396.488 -0.190 30 20 GBED CC(C)(C#N)CS(=O)(=O)NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 776145363 BAIZOJXJWMCGBU-AAXDQBDMSA-N 383.426 -0.465 30 20 GBED C=CCS(=O)(=O)CCNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 783540045 WDBGETNAVSEFCK-OAHLLOKOSA-N 387.502 -0.583 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)O)oc2C)CC1 833365816 SPKSNCRFXIDEMP-UHFFFAOYSA-N 383.426 -0.268 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1ccc(N2CCN(CC(=O)O)CC2)cc1 833366321 QXKOYCOJKVXEGB-UHFFFAOYSA-N 388.424 -0.402 30 20 GBED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(C)c2)c1=O 838240556 FCBIIEJEEFSYNL-UHFFFAOYSA-N 387.465 -0.585 30 20 GBED CCOC(=O)CON=C(C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1)c1cc[nH]n1 844121246 FIZPLUFRFHTOIF-PWSUYJOCSA-N 379.373 -0.350 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)C2=COCCO2)C1 990804997 ZHUQVAMQTNXAIL-KBXIAJHMSA-N 389.412 -0.375 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cncc(OC)n2)C[C@H]1O 1023942561 COKRBCBVQMSZOB-DCDXPUDHSA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(c2nc(C)nc(N(C)C)n2)C[C@H]1O 1041392866 SRNRZIWQOZFIQT-TUVASFSCSA-N 376.461 -0.107 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2nc(O)c3cnn(C)c3n2)C[C@H]1OC 1042975058 SICPNVDEUQWCES-RUZUBIRVSA-N 388.428 -0.020 30 20 GBED CN1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@H](n3ccnn3)[C@H](NCC#N)C2)CC1 1070196075 JIHCXDZFWPHXHK-BDXSIMOUSA-N 387.488 -0.110 30 20 GBED C=C(Br)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)O1 1083191490 ALBNHNUXOJDZAS-WUHRBBMRSA-N 388.262 -0.161 30 20 GBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CCn2cc[nH]c(=O)c2=O)nn1 1092990496 TVCPCBUFUGHFLW-MCIONIFRSA-N 381.396 -0.486 30 20 GBED C=C(C)CN(CC)C(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1221812075 XPMQYWIFJTVFKV-WCXIOVBPSA-N 392.500 -0.023 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 1258289445 WUGYXMDBNZQVCR-OAHLLOKOSA-N 393.465 -0.145 30 20 GBED COC(=O)[C@H](O)C1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1 1319911634 PDTMXXSQWBKIDU-CQSZACIVSA-N 377.401 -0.184 30 20 GBED CCOC(=O)[C@@H]1CNCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1326276311 UTENTXDMCJCUSY-AWEZNQCLSA-N 380.426 -0.800 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)CCO1 1327010500 SYOLMIJHZNPOCJ-JTQLQIEISA-N 383.330 -0.102 30 20 GBED CO[C@@H](CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(F)(F)F 1346328090 VEVIAWSHOFNNJC-YHTNPHCKSA-N 378.307 -0.678 30 20 GBED N#Cc1ccc(N2C[C@H](C(=O)N3CCC(O)(c4nn[nH]n4)CC3)CC2=O)cc1 1467456774 RNSUDXQQOXAKKW-CYBMUJFWSA-N 381.396 -0.066 30 20 GBED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cc(N2CCNC(=O)C2)ccn1 1471032856 NXHRAAOLRFSWQE-UHFFFAOYSA-N 396.411 -0.299 30 20 GBED C#CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)[C@H]1CC 1575005276 ZCYNFVSZNINNOI-BBWFWOEESA-N 387.488 -0.512 30 20 GBED C=CCOCC(=O)NCC1[C@@H]2CN(C(=O)[C@@H]3CCCN3Cc3cnn[nH]3)C[C@@H]12 1575110424 PETZVZKYJDCOTJ-ULQDDVLXSA-N 388.472 -0.208 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[nH]n2)C[C@H]1O 1588504206 JQNSWYHFBKOVGQ-IQMDTDKHSA-N 379.446 -0.376 30 20 GBED C=CCCOCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 1588610629 IUPHAJIHKXUUGN-TZMCWYRMSA-N 389.416 -0.521 30 20 GBED N#C[C@]12CN(S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)C[C@H]1CS(=O)(=O)C2 1592681106 IIHHJCXMQDWQMZ-SMDDNHRTSA-N 394.438 -0.574 30 20 GBED N#Cc1cncc(N2CCOC[C@@H]2CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 1592704252 FAKFPPZPXCLYDB-LBPRGKRZSA-N 380.372 -0.508 30 20 GBED C#CCCS(=O)(=O)NC(=O)C1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 1609020581 UPQBLZDMTJYAJG-UHFFFAOYSA-N 393.429 -0.151 30 20 GBED N#Cc1cn(CCNC(=O)[C@H]2COCCN2CC(F)(F)F)c(=O)nc1O 1641034242 WMMFLRKAOUJUOG-SNVBAGLBSA-N 375.307 -0.800 30 20 GBED CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H](C)C#N 1711418319 XSWVNHBIMZJKAO-GFCCVEGCSA-N 383.478 -0.341 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1783562249 KFGFOJFMLUTBNY-SFHVURJKSA-N 383.364 -0.511 30 20 GBED CN1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)CC1 1801979966 AYVXGXVEQLOYPK-ALXJQNPVSA-N 389.500 -0.483 30 20 GBED CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)C(C)(C)C 1831085577 JWJKDICIAHNYGO-APWZRJJASA-N 394.472 -0.093 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1831419469 MGVNLKVIYXRPQK-GKSFYBEXSA-N 382.457 -0.195 30 20 GBED Cn1cc(CCC(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)cn1 1834758246 ITVGPKNMMRJSFP-GOSISDBHSA-N 375.429 -0.277 30 20 GBED COC(=O)CSCC(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835355134 VNQQITULGKYJSE-KRWDZBQOSA-N 399.469 -0.347 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)CNC3=O)CCO2 1837150408 ZKZCJUSQDWINRU-HXUWFJFHSA-N 398.419 -0.086 30 20 GBED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1838434034 INIHCXNLCYKPCQ-QGZVFWFLSA-N 379.457 -0.231 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)OC)C2)C1 1839810952 YWCLMWDOADCMQV-RZQQEMMASA-N 390.436 -0.169 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839867421 JWKURUTTXIDBEU-YEWWUXTCSA-N 399.513 -0.467 30 20 GBED C/N=C(/NC[C@@H](C)N1CCN(C)CC1)N1CCN(c2cnn(C)c2)C(=O)C1 261715371 KILYIJGRZTUBNH-OAHLLOKOSA-N 376.509 -0.720 30 20 GBED N#C[C@@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 268064731 GMUQVPZLOKCQAC-OAHLLOKOSA-N 378.454 -0.256 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2N(C)S(C)(=O)=O)C1=O 268102809 FLAVSAVYTLHOMN-UHFFFAOYSA-N 394.409 -0.002 30 20 GBED COC(=O)C1(O)CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 271258765 KJHUFFZLPDLICV-GFCCVEGCSA-N 395.437 -0.248 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CC[C@H](CN2CCOCC2)C1)c1cc[nH]n1 276586673 MNLUNRJNQHNCSK-LQFHHUIYSA-N 393.444 -0.126 30 20 GBED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N 277097536 LBCKUANHOFMGNW-GFCCVEGCSA-N 397.457 -0.135 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NC[C@H]1COC2(CCOCC2)O1)c1cc[nH]n1 278818150 UJLJQXRIMAAADQ-DRPFOCBESA-N 396.400 -0.268 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H]2COC[C@H]2O)cc1 287749431 AQQCOIXHZXMBPJ-HUUCEWRRSA-N 397.453 -0.350 30 20 GBED CN1C(=O)[C@]2(CCN(/C(O)=N/[C@H]3CCCN(c4cnn(C)c4)C3=O)C2)N=C1O 329282846 NCBBNUGFGVUUTF-YVEFUNNKSA-N 389.416 -0.340 30 20 GBED CN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 332564576 YOIOHTRMYOKQNN-UHFFFAOYSA-N 391.497 -0.361 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2CO)c1C#N 349520353 RBPFNPOGLZWKMA-NSHDSACASA-N 391.475 -0.492 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@@H]2c2c(C)n[nH]c2C)C1=O 374288666 QSYHGCWPTLPCRF-GFCCVEGCSA-N 375.385 -0.097 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 409534470 IBYFJOCKOWBSMO-CQSZACIVSA-N 387.506 -0.622 30 20 GBED CN1CCN(c2ncccc2CNS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409561114 JJYKPNWAMFHOER-OAHLLOKOSA-N 380.474 -0.608 30 20 GBED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N(CCO)CCCO)n1 440313779 LCGUKYFSXSOUOB-UHFFFAOYSA-N 375.360 0.025 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCCCN2C(=O)c3ccccc3C2=O)CCO1 510561002 ULAZQOMNLNUXJM-LBPRGKRZSA-N 378.410 -0.269 30 20 GBED C=C[C@H](CO)NCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 595864018 MODFKCONTKAYFK-CYBMUJFWSA-N 398.441 -0.436 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1C1CC1 743726066 CPUXKAJZTNKCBJ-UHFFFAOYSA-N 399.476 -0.107 30 20 GBED C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)[C@@H]1CCCO1 772891240 TWDRGSVPWAMIKT-ZBFHGGJFSA-N 381.454 -0.043 30 20 GBED N#CCN1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1 791365556 CMBCKOJARGRGDU-AWEZNQCLSA-N 377.832 -0.018 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(C)c2C(F)(F)F)CC1 831556336 LRDOIYVXBQGNBQ-UHFFFAOYSA-N 379.364 -0.336 30 20 GBED C#CCN1CCN(S(=O)(=O)C2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)CC1 961064298 NJIIXFJSACBCNG-BHYGNILZSA-N 381.498 -0.407 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ncn(C)c1=O 996935975 XDUXZCZWFIIZOV-MDLJMBGESA-N 389.456 -0.189 30 20 GBED CC(C)CN1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CC1=O 1109362989 MMXJTCKVIHOWJP-WCVJEAGWSA-N 375.473 -0.148 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cncc(-n2ccnn2)c1 1110858642 KCDXSFSIRZOGTP-OIISXLGYSA-N 379.424 -0.253 30 20 GBED Cn1c(CCCS(N)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1122910788 DVOAYTFGSJRIJI-UHFFFAOYSA-N 390.473 -0.371 30 20 GBED C=CCN(CC=C)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1219867882 UAXYWXPXTIOVAY-WCXIOVBPSA-N 380.489 -0.933 30 20 GBED COC(=O)CN(C)CCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1320394756 QMHSXSDMPSEFRX-GFCCVEGCSA-N 396.469 -0.275 30 20 GBED CN(C[C@@H]1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1)S(C)(=O)=O 1321889316 AFSRZKQIQYDHNW-STQMWFEESA-N 380.492 -0.941 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 1322694622 ORMGNWBIXRWAFR-PQTZJTHMSA-N 388.424 -0.297 30 20 GBED C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1326251540 ZCLGMEABUPKARY-QKLQHJQFSA-N 391.516 -0.120 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCC[C@@H]1CN1CCCC1 1326596064 IGEDGDIFLULFOJ-UPTRSRDDSA-N 389.456 -0.284 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1 1331677699 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APLNQQVVEPYYSC-LLVKDONJSA-N 396.454 -0.619 30 20 GBED C=CCN1CC[C@@H](N2C[C@H]3[C@H](NC(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@H]3C2)C1=O 1602862702 LFUSHZYJZWUOKI-OSRDXIQISA-N 382.428 -0.358 30 20 GBED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCS(=O)(=O)NC 1616924958 VLTSJMMIHGNZOB-CQSZACIVSA-N 397.505 -0.460 30 20 GBED CNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1729723226 YZFQNCVPOYUQSE-NHYWBVRUSA-N 384.437 -0.242 30 20 GBED C[C@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1781248575 YYXXSHGZDIGIFD-YZMFZURSSA-N 396.444 -0.520 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)CC)[C@H]2C1 1784363908 XUSPULXKOFUDRD-QEOTZNIISA-N 393.484 -0.081 30 20 GBED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1784949073 OEOYPOILIHHXQM-AVGNSLFASA-N 391.428 -0.932 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOC 1795355093 FFRAHPRDSGYKRF-JLVBRIDZSA-N 398.456 -0.252 30 20 GBED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795416873 YLKGDFFWPQONMW-GUIRCDHDSA-N 386.474 -0.792 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nccnc2C(N)=O)CCC1 1798359096 XPSPBVWFJWBNOX-CLLJXQQHSA-N 398.423 -0.527 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(Br)CC1 1799358239 APMJMDZWAPFYSL-DDFAGTSDSA-N 385.214 -0.409 30 20 GBED O=C(NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1)C(O)O 1802921423 ZTKCMWQCMPWUAR-LZZBOQINSA-N 389.456 -0.130 30 20 GBED N#CCC(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804344068 MAFBVEPELGJVKV-DVOMOZLQSA-N 384.396 -0.401 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@@H]1c1cccnc1 1813040086 RGZFADFPQSKKBS-YYWXWVFPSA-N 393.513 -0.002 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CNC(N)=O)[C@@H]1c1cccnc1 1814222298 MYLBIAIMMQRJRG-UNEWFSDZSA-N 387.440 -0.206 30 20 GBED CS(=O)(=O)CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1817059785 VRKOBCCHSUIFPB-NSHDSACASA-N 382.398 -0.466 30 20 GBED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830051132 YWFIWSXVQMQTIG-KUHUBIRLSA-N 394.472 -0.093 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1830064721 OVQFOBVSYSDTOS-IFXJQAMLSA-N 392.456 -0.481 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1831424489 KLKLSLDCXOTOPR-TXPKVOOTSA-N 379.457 -0.438 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836165844 DRUIYQVKGSGSMU-APWZRJJASA-N 392.456 -0.069 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840160813 SRDHMLHETUCOMD-WQGACYEGSA-N 388.490 -0.792 30 20 GBED CSCC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840195915 LLSOYHZWDODTTQ-PBHICJAKSA-N 385.486 -0.139 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CCS(C)(=O)=O)C1 1846699309 FTMGWZRRVVLAHX-WAYWQWQTSA-N 383.470 -0.517 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)N(C)C)cc1 48968482 VUUARZGSOZUNSD-UHFFFAOYSA-N 382.442 -0.364 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCOCCS(C)(=O)=O 268085672 JUHDVVRPTLJUEM-ZDUSSCGKSA-N 396.473 -0.370 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CCNC(=O)C1 273283681 JUZGIYFKGCFSJV-UHFFFAOYSA-N 389.412 -0.930 30 20 GBED C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)S1(=O)=O 291418458 ZIBVDJLTAYGNOY-VXGBXAGGSA-N 385.467 -0.129 30 20 GBED CN(/C(O)=N/CCN1CCN(C)C(C)(C)C1)[C@H]1CCN(S(C)(=O)=O)C1 330194674 BFMUPNQVLWCLAQ-AWEZNQCLSA-N 375.539 -0.108 30 20 GBED CC(=O)N1CCN(C(=O)CC/N=C(/O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 330261901 UOGSJDHYPGKZON-AWEZNQCLSA-N 381.477 -0.030 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCC[C@H]1C(N)=O 349473338 SBSQNLLXXWIDEO-MNOVXSKESA-N 386.455 -0.579 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](S(=O)(=O)NC)C2)c1 362129984 LVPFUDMKZQQMHR-CQSZACIVSA-N 385.467 -0.638 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCC(F)(F)CN)C[C@]12C(=O)Nc1ccccc12 420152752 PNWSRBYZSUMPHT-BTDLBPIBSA-N 377.351 -0.431 30 20 GBED CCOC(=O)Cn1cnc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1 425730158 QQWFUTRETDJHLZ-UHFFFAOYSA-N 384.400 0.462 30 20 GBED C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 430230274 VUEJBULGTLIHAE-DOMZBBRYSA-N 395.423 0.249 30 20 GBED Cn1c(-n2cc(Br)c(=O)c([N+](=O)[O-])c2)c(C#N)c(=O)n(C)c1=O 477133960 GMNPAMFOEOXMSL-UHFFFAOYSA-N 382.130 -0.223 30 20 GBED N#Cc1ccc(O[C@@H]2CCN(C(=O)Cn3cc(S(N)(=O)=O)cn3)C2)nc1 553242007 DQGDHWXWUHNEKL-GFCCVEGCSA-N 376.398 -0.523 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@@H](CC)C(=O)OC)CC2)C1=O 553282680 FVWJFTASRXBYMK-LBPRGKRZSA-N 380.401 -0.941 30 20 GBED COC(=O)CNC(=O)CNS(=O)(=O)c1cccc(Br)c1C#N 553435291 QKYBLRFEHDOUGS-UHFFFAOYSA-N 390.215 -0.112 30 20 GBED N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)CC2=O)cc1Cl 582132068 ZTURPFSMGQMDNS-LERXQTSPSA-N 397.840 -0.161 30 20 GBED COC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)C#N)cc1 583704155 WMUFGTYCKYUJMM-UHFFFAOYSA-N 375.428 -0.282 30 20 GBED CN(C)S(=O)(=O)N[C@@H](CNC(=O)Nc1nn(C)cc1C#N)C1CCCC1 590819594 NWSWOGAMHCDKFM-ZDUSSCGKSA-N 383.478 0.368 30 20 GBED CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 742274122 CUSFYKGFUXNAFG-UHFFFAOYSA-N 376.435 -0.190 30 20 GBED COCCNC(=O)CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742499688 VXSURUVGANUERK-NSHDSACASA-N 382.442 -0.618 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCS[C@@H]3COCC[C@H]32)c1=O 767783311 UITMVNDWUAXFJM-ZIAGYGMSSA-N 380.470 -0.293 30 20 GBED C#CCCN1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 776593858 NWMFHPNQVRYMJD-MSOLQXFVSA-N 397.541 -0.178 30 20 GBED C#CCOc1ccc(NC(=O)C(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)cc1 782940513 UOECYOFDIIWZJP-CQSZACIVSA-N 380.422 -0.355 30 20 GBED CCN(CCC#N)C(=O)COC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 785660351 JXOZOIBRDVQUPT-HNNXBMFYSA-N 380.445 -0.528 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 787756849 SAAQFCSRWLUVDT-INIZCTEOSA-N 386.456 -0.195 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1cccc(S(=O)(=O)NC)c1)[C@@H]1CCCO1 787852735 SLGRMPKFMABWFK-GJZGRUSLSA-N 379.438 -0.492 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCCN(CC(=O)N(CC)CC)CC1)[C@H]1CCCO1 809311657 IOPGSAYTHXPILS-IAGOWNOFSA-N 392.500 -0.314 30 20 GBED CCS(=O)(=O)N1CCC[C@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)C1 813980320 AKSODNNCLRNJBJ-LBPRGKRZSA-N 386.455 -0.180 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C1CC1 814250228 JNHIXLGEPFYKIN-UHFFFAOYSA-N 379.392 -0.045 30 20 GBED C#C[C@@H](C)NS(=O)(=O)CCCCS(=O)(=O)N1CCSC[C@@H]1C#N 848967721 GBGSDJIOCICEOB-OLZOCXBDSA-N 379.529 -0.022 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 950861758 UTRMWZIOIXJNHO-DLTWYDFYSA-N 391.472 -0.084 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 969235681 CLNBVTAJUDPUII-UXOAXIEHSA-N 376.413 -0.983 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H]1C 988730029 JYFXYFCZUIOOIY-NCOADZHNSA-N 392.500 -0.153 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccn3nnnc23)C1 1023884219 YAOPKTZXRXDYMC-MYPMTAMASA-N 386.412 -0.593 30 20 GBED CCN(C1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1)S(C)(=O)=O 1116336520 CHQFMZGSSAGSDX-UHFFFAOYSA-N 382.446 -0.382 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CC[C@@H](C(=O)OC)[C@@H](C)C2)CC1 1118460646 IDNOVZZYZRMFPM-DZGCQCFKSA-N 377.441 -0.368 30 20 GBED C#Cc1ccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cn1 1251969565 WZNUORHYOHVYIG-MRXNPFEDSA-N 390.465 -0.876 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CC1 1261305318 UKUKFRPSJIQCFD-UHFFFAOYSA-N 399.451 -0.288 30 20 GBED C[C@H](CC(=O)N[C@H](C)c1nnnn1C)/N=C1/NS(=O)(=O)c2ccccc21 1262648804 RVMZAPGGKFBYFV-NXEZZACHSA-N 377.430 -0.095 30 20 GBED N#CC1CCN(C(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 1326606758 RNNVEVQBZBEWOT-AWEZNQCLSA-N 386.474 -0.647 30 20 GBED COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 1330541215 KCGVBEGWXVTSIQ-HNNXBMFYSA-N 390.362 -0.002 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2CCc2ccc(F)cc2)CC1 1336998130 JAYJCHALLGOWCA-UHFFFAOYSA-N 393.448 -0.356 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)nn1 1349029067 BBOMAEAEPJYQDT-SJORKVTESA-N 390.488 -0.036 30 20 GBED C=CCN(CCOC)c1nnc([C@H]2C[C@@H](N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1574930431 UFOYUSYPBAJMTR-JKIFEVAISA-N 399.517 -0.329 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@H]2CC[C@H]1CN2C(=O)CCCc1cnn[nH]1 1575108166 GYKNPXWQLBWHTD-LSDHHAIUSA-N 389.460 -0.186 30 20 GBED C[C@@H](OCc1cnn[nH]1)C(=O)N1CCN(CCCNC(=O)C#CC2CC2)CC1 1575830956 XWMWGVBRXMFHET-OAHLLOKOSA-N 388.472 -0.226 30 20 GBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)c(-c2nn[nH]n2)cn1 1580976659 UVQWSEFVXCBGNG-HIFRSBDPSA-N 379.384 -0.251 30 20 GBED N#Cc1c[nH]c(C(=O)NCC2[C@H]3CN(c4nccnc4-c4nn[nH]n4)C[C@H]23)c1 1581863089 WNFGRZIFKTVHES-VXGBXAGGSA-N 376.384 -0.031 30 20 GBED C#CCN1CCC(C(=O)N(CC)CCN=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1588351793 KKWDDLHFYVXJGL-UHFFFAOYSA-N 383.460 -0.316 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 1588353567 WWVGFETZKSRZSJ-UHFFFAOYSA-N 381.396 -0.207 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3cc(C)ncc3-c3nn[nH]n3)C[C@H]2O)nc1 1588369910 APZGVOVJJOVVIT-NVXWUHKLSA-N 390.407 -0.074 30 20 GBED N#CCNC(=O)CNC(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 1606349908 LAGWNWVDKBSINR-UHFFFAOYSA-N 383.416 -0.666 30 20 GBED N#Cc1cn(CC(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c(=O)nc1O 1635041845 DQRQDBNSXWCWAA-CQSZACIVSA-N 397.391 -0.383 30 20 GBED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782783725 JOYHYTZXHNIDHI-QGZVFWFLSA-N 389.368 -0.500 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOC3=O)[C@H]2C1 1784278108 VEYXKWCBPOAYEV-VGWMRTNUSA-N 393.440 -0.543 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)C=C)C[C@@H]21 1784486189 ZLZVSNZMHYRPJO-NRKLIOEPSA-N 391.468 -0.305 30 20 GBED C[C@H](Oc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1784491369 OAIGIZCHCALBBO-LIRRHRJNSA-N 387.392 -0.233 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nn[nH]c4c3)[C@H]2C1 1790538723 QPDOUZGMWTUWSU-XEZPLFJOSA-N 397.391 -0.361 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(C)CCCN1)C2 1792489775 REPFCMGHIBDBFC-OHPNEJBSSA-N 390.484 -0.424 30 20 GBED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1793380017 JEOSSSZXMMNUPN-VGYDOTAVSA-N 398.485 -0.872 30 20 GBED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](O)N1CCOCC1)C2 1793568524 JPOULQYUDMAQTJ-KSPMYQCISA-N 379.457 -0.687 30 20 GBED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccnc1 1793959532 WECRTUKSIIVNKA-JLVBRIDZSA-N 385.424 -0.295 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)N1CCOCC1 1798486080 ZZTAGKBVZLVASB-RNGZQALNSA-N 381.473 -0.134 30 20 GBED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NNC(=O)C2)C3)c1 1799746982 YUQPBWOMDHERSK-DPIQGUFMSA-N 399.382 -0.224 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(O)cn1 1801460332 SJMLGTULKOZJLX-BKEDOTJMSA-N 387.436 -0.042 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)N(C)C)CCO3)C2)C1 1830039180 QPWHUQSJYVHUSE-LJQANCHMSA-N 394.472 -0.320 30 20 GBED CS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1835260635 BJYRYTMCNHUODU-KRWDZBQOSA-N 399.469 -0.819 30 20 GBED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cccnn3)CC2)CC1 1835895315 NRIJCDYBCVUBOB-UHFFFAOYSA-N 385.424 -0.250 30 20 GBED N#CCC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1837635288 ZJXUHAGWEUUDIX-IBGZPJMESA-N 394.472 -0.451 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839856655 CRYAJZZXVYHIEL-KBXCAEBGSA-N 383.445 -0.830 30 20 GBED Cc1nc(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)o1 1840042315 NIYQHDDHXYXKKQ-GOSISDBHSA-N 391.380 -0.551 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1840160274 CWERQFRUDLLPJY-HWPZZCPQSA-N 398.441 -0.724 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2 1840802884 KDBGDNMOHILUQA-LJQANCHMSA-N 395.456 -0.009 30 20 GBED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847449343 YNPKMQGYZSGYRC-AVGNSLFASA-N 381.429 -0.585 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(Cn3cncn3)CC2)c1=O 186912085 VVTPFGSENTWPRO-UHFFFAOYSA-N 387.444 -0.495 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1 264221019 YGFZKZJBEAPWCG-UHFFFAOYSA-N 377.466 -0.013 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1 265361246 TVEPVJQWTNJOLJ-UHFFFAOYSA-N 396.407 -0.018 30 20 GBED Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC2)no1 297950716 WBHZEKJGYMCZEG-LBPRGKRZSA-N 376.417 -0.316 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)CCO1 332124686 IUZYORUQNKMJDF-AWEZNQCLSA-N 378.410 -0.084 30 20 GBED C[C@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1ncccc1C#N 349455544 CWVTXAYKXSDHAC-AAEUAGOBSA-N 388.471 -0.130 30 20 GBED CN(c1ccccn1)S(=O)(=O)CCCS(=O)(=O)N1CC(O)(CC#N)C1 349464287 VZGOHZWGSZGFMZ-UHFFFAOYSA-N 388.471 -0.472 30 20 GBED CC1(C)CN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N)C[C@@H]1O 349469279 WFNTZYHYWDYYKW-LBPRGKRZSA-N 378.476 -0.912 30 20 GBED C[C@H]1COCCN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N)C1 349505523 WKUMCLVLQXEACJ-CYBMUJFWSA-N 378.476 -0.646 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCO[C@@H](COCC3CC3)C2)C1=O 410883224 MERWBCBCVZUZTE-HZPDHXFCSA-N 379.457 -0.114 30 20 GBED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)cc1 420202955 PUJAEORLSMCSQT-GOSISDBHSA-N 385.468 -0.303 30 20 GBED N#C[C@@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1ccccc1F 468986703 NXDKXORHPLLEOR-CYBMUJFWSA-N 379.373 -0.088 30 20 GBED Cn1cnc2c1c(=O)n(CC(=O)Nc1nc3n(c1C#N)CCS3)c(=O)n2C 517622733 OMVFNEXSLQFUGY-UHFFFAOYSA-N 386.397 -0.754 30 20 GBED CC(=O)NC[C@@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCO1 524227602 RBNKYPPSIIJESW-OAHLLOKOSA-N 394.453 -0.226 30 20 GBED CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1=O 565841334 UHUIKTYYIGXCLQ-HNNXBMFYSA-N 383.408 -0.530 30 20 GBED C[C@@H](CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)S(C)(=O)=O 583043203 ASYUIOOJEVXPML-AWEZNQCLSA-N 394.497 -0.002 30 20 GBED CC(C)(C)OC(=O)[C@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)CCO1 588129005 XMLYXBVUKIWONF-CQSZACIVSA-N 380.445 -0.340 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)NC1(C(N)=O)CCC1 594633751 GACDPKBYSJOVBB-UHFFFAOYSA-N 386.455 -0.483 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CC(CC#N)C2)ccc1C#N 595965178 OJGQLISQQYTJHV-UHFFFAOYSA-N 397.482 0.569 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)NCCOCCS(N)(=O)=O)CC1 596622374 DVBDHBZNNYCQMK-UHFFFAOYSA-N 382.446 -0.910 30 20 GBED Cc1cc(C)nc(N2CCN(C(=O)C(=O)N3CCN(CCC#N)CC3)CC2)n1 601428646 LGVHJGRNGLNXPN-UHFFFAOYSA-N 385.472 -0.200 30 20 GBED N#CCCN1CCN(C(=O)C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)CC1 602247202 QKXUYKHCANUEKP-INIZCTEOSA-N 377.489 -0.339 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)C1=O 675573216 KEXINNBSGZQKRP-CYBMUJFWSA-N 376.413 -0.130 30 20 GBED N#CC(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CC(N)=O 727160412 DRHRYSVZOXJUFT-UHFFFAOYSA-N 388.412 -0.121 30 20 GBED C#CCN(C(=O)COc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCS(=O)(=O)C1 735375289 XBILUVRANNPARG-ZDUSSCGKSA-N 375.410 -0.106 30 20 GBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 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30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)NC2CCN(CC(N)=O)CC2)ccc1F 914595377 HIKAAKUAJZNAFS-UHFFFAOYSA-N 398.460 -0.031 30 20 GBED N#CCc1ccccc1C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 916511886 BJVVTHLPOIIGCR-GFCCVEGCSA-N 379.394 -0.078 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)c3nnc(O)nc3O)[C@H]2C1 976053334 NKTABUNODDTJOM-RNJOBUHISA-N 389.412 -0.063 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C 994641230 BIJDWNIKKCNQCH-TUVASFSCSA-N 392.456 -0.270 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 1024870416 CLNBVTAJUDPUII-GBOPCIDUSA-N 376.413 -0.983 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1046708306 LOCNMSVHURAMND-QPSCCSFWSA-N 379.457 -0.441 30 20 GBED C=CCOCC(=O)N1CCC(O)(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1074516033 WEXKLJWRUWKNBN-YQQAZPJKSA-N 382.457 -0.290 30 20 GBED NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(CC#Cc3ccc(Cl)cc3)C[C@@H]2O)O1 1083775504 XHZYQGSSJBRADV-LTIDMASMSA-N 391.855 -0.114 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ncn(C)n1 1110526334 DIGOQUCQBIEARD-LPWJVIDDSA-N 375.433 -0.450 30 20 GBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](C)NC(=O)Cn1cnnn1 1111263585 ZAPWKADXGNOYNJ-TUVASFSCSA-N 377.449 -0.898 30 20 GBED CN1CCN(c2ccc(CNC(=O)C(=O)Nc3cnn(CC#N)c3)cn2)CC1 1116336485 RBLWYJSWVORNAF-UHFFFAOYSA-N 382.428 -0.192 30 20 GBED CN(CC[C@@H]1CCCCN1C)C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1117318651 YHIXQIHRSXYDBV-VUAZUDAXSA-N 391.472 -0.038 30 20 GBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)[C@@H]1CCCO[C@H]1c1nccn1C 1207587766 ZWYWXVYXXLXTFH-KCYZZUKISA-N 388.472 -0.036 30 20 GBED C#CCCN1CCC(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 1252256244 MMYBTDVMSOLSOB-ZBFHGGJFSA-N 381.498 -0.374 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](n2cncn2)C1 1261565826 NNQBPOLRRIYZHL-LBPRGKRZSA-N 376.464 -0.970 30 20 GBED C=CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)O 1321207472 YQVAUDIRUZDJEW-CYBMUJFWSA-N 381.410 -0.434 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccn(CCCOC)n2)CC1 1322766857 XRXMOYCUODFNCZ-UHFFFAOYSA-N 375.429 -0.154 30 20 GBED COCc1noc(CN2CCN(C(=O)C(=O)Nc3cccc(C#N)n3)CC2)n1 1326077585 MSTMKGQTARTLRY-UHFFFAOYSA-N 385.384 -0.234 30 20 GBED Cc1cc(NC(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)ncc1C#N 1326779197 AJYXMYWJAZQQAC-INIZCTEOSA-N 386.456 -0.277 30 20 GBED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)CC1 1327254272 GZRMKFYYKRKNAG-GJZGRUSLSA-N 375.473 -0.050 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2)C1 1327517900 BBIPQBNDVJLZOC-GJZGRUSLSA-N 380.514 -0.424 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CC[C@@H](N3CCOC3=O)C2)CC1 1328248464 MEEMBAKCRKLPQV-CQSZACIVSA-N 376.413 -0.973 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@]1(O)CCN(C)C1 1337960192 BLAHXTBYXMPCPF-GOSISDBHSA-N 383.412 -0.431 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1nn(CCS(=O)(=O)CC)cc1C)[C@@H]1CCCO1 1344007393 XMSGLDPIYIXYTH-KBPBESRZSA-N 396.469 -0.138 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CC(F)C3)CC2)cc1 1348435455 NSGHRHDRZVCIAA-UHFFFAOYSA-N 380.401 -0.429 30 20 GBED C=CCn1c([C@@H](O)COC)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1352171416 LVNYVBDOTUCPLN-ZFWWWQNUSA-N 378.477 -0.067 30 20 GBED N#Cc1cn(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)nn1 1559420300 MFTSLHFCOZTJFL-MRXNPFEDSA-N 382.380 -0.339 30 20 GBED CC#CCCCC(=O)N[C@@H]1CCN(C(=O)CCOCc2cnn[nH]2)C[C@H]1O 1575117144 GHZFIMFMLLTTNN-HZPDHXFCSA-N 377.445 -0.017 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C1 1588355552 JTOUXAAMRIVBLI-MCIONIFRSA-N 382.428 -0.020 30 20 GBED C=CCNC(=O)CN1CC2(C[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CO2)C1 1588659085 HNPQFRNGULHHBR-LBPRGKRZSA-N 386.416 -0.930 30 20 GBED CC(C)(C)C#CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 1589068917 ZJVXQHHSDYGNNG-FZMZJTMJSA-N 385.428 -0.064 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 1602791728 ALGWXIKELHLACY-DLBZAZTESA-N 388.432 -0.305 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2cc(-c3nn[nH]n3)cs2)C1=O 1602863012 PDZATGJPSYTTHL-UHFFFAOYSA-N 389.397 -0.137 30 20 GBED C=CCn1cc(C(=O)NC[C@H]2C[C@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)C2)nn1 1602882443 JSXMJYSCLFHUHB-XYPYZODXSA-N 381.404 -0.523 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CC(O)(CC#N)C1 1603675063 DENCWJHUTDFZSF-SNVBAGLBSA-N 391.413 -0.980 30 20 GBED CNS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1697024543 MJMDLWXBXQDPMH-QMTHXVAHSA-N 385.425 -0.780 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781424328 LLIIYJHRKUVYNY-PBHICJAKSA-N 378.433 -0.091 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1783107592 NRMADKRTEJSOBT-UGSOOPFHSA-N 378.429 -0.420 30 20 GBED CCN1CCC(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783568137 NVXJMOOOUBXTMB-IBGZPJMESA-N 377.441 -0.364 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3nnc(C)o3)C[C@@H]21 1784479942 MNXSQTJELBTLGL-TUUVXOQKSA-N 390.440 -0.061 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c3CS(=O)(=O)C4)[C@H]2C1 1787152407 NYYQPNDTZXOOIJ-MJVIPROJSA-N 392.437 -0.935 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788603727 PTQXZBMXLSBWDO-UZPFABOCSA-N 390.440 -0.474 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2 1793819234 LCUGAZGWQYJIGH-JJLQDPRZSA-N 376.500 -0.460 30 20 GBED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2)n1cnnn1 1801434370 DSNQYBPFEGGDIJ-RMRDIRSESA-N 394.435 -0.125 30 20 GBED N#CCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1804092005 RRAPNSYUFAAOKV-GUYCJALGSA-N 384.396 -0.447 30 20 GBED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(O)O)C2 1804370423 NWKJHOBNXFRAOC-XJFOESAGSA-N 395.456 -0.148 30 20 GBED CN(C)C(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1830038055 BDXREOGZJRSPMI-GOSISDBHSA-N 395.460 -0.736 30 20 GBED CN(C)C(=O)NCC(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834397090 XXVYJLMKRCLXAC-UHFFFAOYSA-N 378.477 -0.257 30 20 GBED CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 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VBDMKMVKKAXANZ-LMVHVUTASA-N 397.497 -0.271 30 20 GBED Cn1nc(Br)c2c(=O)n(CC(=O)n3ncc(C#N)c3N)cnc21 66078195 JBAMKHUQXQNJNT-UHFFFAOYSA-N 377.162 -0.117 30 20 GBED C/N=C(/NCCS(=O)(=O)N1CCSCC1)N1CC[C@@H](N2CC=CC2)C1 262813283 VXIGMFANTFZHLZ-OAHLLOKOSA-N 387.575 -0.114 30 20 GBED CCOC(=O)c1cnn(CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)c1C#N 283856249 HKEPCTPSYJQMOH-GFCCVEGCSA-N 398.441 -0.406 30 20 GBED CCc1nc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)no1 349607342 ZFCWVIXJMIDORO-UHFFFAOYSA-N 377.448 -0.061 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)CCCCCC(=O)OC)CC1 372688919 BHRONKCHXALMBJ-UHFFFAOYSA-N 387.502 -0.193 30 20 GBED CCc1nc(CN2CCN(S(=O)(=O)N(CCC#N)CCOC)CC2)no1 410137501 ZQBSIJSDTBGMPL-UHFFFAOYSA-N 386.478 -0.144 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC(=O)NCC1CC1 460792182 QXSILSFGYMSLMD-UHFFFAOYSA-N 381.396 0.028 30 20 GBED C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 531271586 ZVSZMQOELYNVQM-VXGBXAGGSA-N 390.487 -0.711 30 20 GBED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H]3CN4CCN3CC4)C2=O)cc1 532638271 NFRPSWNNYMMQNU-IRXDYDNUSA-N 396.451 -0.121 30 20 GBED C=CCN(C(=O)C(=O)Nc1ncn(C)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 555919592 CUNXUVRIHNQYKZ-LBPRGKRZSA-N 381.400 0.505 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CC(O)(C(F)F)C2)cc1 572179109 ISWDAWAXWRSEQD-UHFFFAOYSA-N 381.382 -0.511 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CC(=O)NCC1(C)C 573697825 YCZBDECATDPOAV-UHFFFAOYSA-N 394.519 -0.472 30 20 GBED C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 590981586 QZWRNDIEIVYMFG-NSHDSACASA-N 386.412 -0.581 30 20 GBED C[C@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 590986066 OYRXLVJRLPCDFO-HNNXBMFYSA-N 383.452 -0.061 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC[C@@H]2CNC(N)=O)cc1 592758688 IUUXNNMDJFCQEV-CYBMUJFWSA-N 379.442 -0.114 30 20 GBED CS(=O)(=O)N1CCN(CCNC[C@@H](O)COc2ccccc2C#N)CC1 600718032 FKEKKXGILSYGOE-MRXNPFEDSA-N 382.486 -0.535 30 20 GBED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCNC(N)=O 736104486 NJUYGPQSECQPCJ-GFCCVEGCSA-N 381.458 -0.076 30 20 GBED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 737685260 BIFYOVVTSGOFFY-UHFFFAOYSA-N 392.445 -0.502 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(S(C)(=O)=O)CC2)c1=O 760397782 VASJHNFBQFCDNB-UHFFFAOYSA-N 384.458 -0.990 30 20 GBED C#C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@H]1CCCO1 775325658 CPORMNCJBLCGDX-VBNZEHGJSA-N 391.449 -0.016 30 20 GBED N#CCc1ccc(C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 778138623 VZRZETGDCZBOBD-ZDUSSCGKSA-N 379.394 -0.078 30 20 GBED C#CCNC(=O)CCN1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 815085891 FDHJERNLYLBQEY-KRWDZBQOSA-N 386.500 -0.019 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@H](C(=O)O)Oc2ccccc21 833378338 MDZRBCQYJIPZBR-CYBMUJFWSA-N 382.394 -0.418 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1 854234133 AFXIHVCHIDCJFU-LBPRGKRZSA-N 396.421 -0.177 30 20 GBED CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 921172209 GDCWHAROWKWBRN-JTQLQIEISA-N 382.398 -0.121 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3ccc(O)nc3=O)C[C@H]21 975262208 LWHIQYNECMHIBF-TUVASFSCSA-N 388.424 -0.401 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1n1ccnn1 990961615 FLCUNQHCEMLZDK-WCVJEAGWSA-N 385.428 -0.366 30 20 GBED C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCOCC2=O)c1 1000178434 OQTPCGKXEVQSGK-IKGGRYGDSA-N 382.420 -0.217 30 20 GBED CC(C)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1=O 1117372455 QFVHYSFCVYCZTA-ZIAGYGMSSA-N 399.455 -0.489 30 20 GBED CC(C)OC(=O)CCNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1256907567 YYSGJMOTPSOGIG-CYBMUJFWSA-N 388.428 -0.157 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCCS(=O)(=O)c2ccccc2)C1 1261466609 PMIIETRGFCHNAS-KRWDZBQOSA-N 379.438 -0.156 30 20 GBED CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1306201523 YQQOHZPHBLBIIU-CQSZACIVSA-N 381.506 -0.092 30 20 GBED CC(C)NC(=O)CN1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1322736512 XRMMDHOCYFZVPM-WUKNDPDISA-N 392.460 -0.635 30 20 GBED CN(C)C(=O)CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1323375137 IYWZNKYFJYBEDO-HNNXBMFYSA-N 385.424 -0.630 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCc2cn3c(n2)SCC3)C1=O 1324082461 PLNOHXRMTBFGQA-CYBMUJFWSA-N 377.470 -0.107 30 20 GBED Cc1oc(C#N)cc1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1326942635 HBLFHGHXGVMKSI-CYBMUJFWSA-N 394.453 -0.479 30 20 GBED CC(C)(C)C(=O)N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1331880645 ADVYUFRZVVWFKX-OAHLLOKOSA-N 375.473 -0.098 30 20 GBED C#CCCn1nnnc1N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 1335702383 VLKLVQSLNPHSMJ-UHFFFAOYSA-N 375.458 -0.069 30 20 GBED C=CCn1c([C@H](O)COC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1352171415 LVNYVBDOTUCPLN-UKRRQHHQSA-N 378.477 -0.067 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@]1(C)CN(c2cnc(-c3nn[nH]n3)cn2)CCO1 1573287148 LYVSZZSFDHVBHZ-SJCJKPOMSA-N 386.416 -0.594 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[nH]n3)C[C@H]2O)nc1 1573291175 YCDXYEDLIFYWTF-HUUCEWRRSA-N 376.380 -0.383 30 20 GBED C#CC[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)O 1573302604 ODWMAOVDUGJFKG-ZDUSSCGKSA-N 381.410 -0.741 30 20 GBED C=CCOCCCC(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1OC 1573348305 OWIFLIVCSXAZDJ-ZIAGYGMSSA-N 388.432 -0.041 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3cnn[nH]3)cn2)c1 1577712787 ZDHLOOQQPYIIIW-GFCCVEGCSA-N 380.368 -0.413 30 20 GBED C#CCNC(=O)[C@@H](C)N[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1(C)C 1588353202 KJGRAVOUJMJVHL-RISCZKNCSA-N 384.444 -0.227 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N(C)CCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588659098 ZWXLVQIICVAXNG-JTQLQIEISA-N 389.420 -0.743 30 20 GBED C=CCn1cc(C(=O)N2CC[C@H]2CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 1588711979 ZNSJFQNSACIFNP-JTQLQIEISA-N 382.388 -0.383 30 20 GBED N#CCSCC(=O)NC[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)CCO1 1592679511 SPWAOMWCIICCAU-SNVBAGLBSA-N 375.418 -0.765 30 20 GBED N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)N(CCC(N)=O)c1ccc(F)cc1 1592684394 ZPDHCFBDVCUIMZ-UHFFFAOYSA-N 383.347 -0.017 30 20 GBED O=C(C#CC1CC1)NCc1nc(O)cc(CNc2nccnc2-c2nn[nH]n2)n1 1592768016 WWPWTSUVVOJHPO-UHFFFAOYSA-N 392.383 -0.206 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2cncc(-c3nn[nH]n3)n2)C1 1602756736 WYIMJHMRVOXKTO-OLZOCXBDSA-N 385.432 -0.178 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)Nc1ccccc1-n1cnc(-c2nn[nH]n2)n1 1602802811 COZPYOLTOFLOJY-SNVBAGLBSA-N 383.372 -0.297 30 20 GBED CC(C)(C(=O)O)N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1603258862 QSRCQGLPYRIWLU-AWEZNQCLSA-N 377.445 -0.807 30 20 GBED CN1C(=O)c2ccc(NC(=O)Cn3cnc(C#N)c3-c3nn[nH]n3)cc2C1=O 1609282702 NKOVSYWFHNUDLX-UHFFFAOYSA-N 377.324 -0.201 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](COC)NC(C)=O)C3)C2)C1 1779311348 PCNGDHNVBIOIJO-APWZRJJASA-N 379.457 -0.066 30 20 GBED CC(=O)N/C(C)=C/C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1781464699 YVLDKYKSSHVPDN-LPDPEWCVSA-N 391.424 -0.372 30 20 GBED CC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1783139964 ILZWPIDUJJLRBE-CLBJDOSESA-N 396.444 -0.519 30 20 GBED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1783195309 QOINRGUEFKQBNX-INIZCTEOSA-N 385.415 -0.132 30 20 GBED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCO2 1783903814 GIEQNWGFCZRKGZ-IBGZPJMESA-N 398.423 -0.335 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]21 1784474564 OTCLLHIIRDWKGD-NRKLIOEPSA-N 391.468 -0.469 30 20 GBED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3O)[C@H]2C1 1785634741 PMRYRGHCUOFPQA-MNXVOIDGSA-N 381.454 -0.003 30 20 GBED Cc1noc(N)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791076144 SXNKEOMYHAFGSJ-SRVKXCTJSA-N 376.369 -0.753 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1793347630 GWTRQKOPFMFODF-QMHWVQJVSA-N 398.481 -0.809 30 20 GBED C=CC[C@@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795632001 CBFKYIOJOOLTAS-IWSXDTNSSA-N 392.500 -0.063 30 20 GBED N=C(N)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC1(O)CCCCC1)C2 1795981876 QMMKILADVZFALL-QDMKHBRRSA-N 375.473 -0.194 30 20 GBED Cc1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c(C)s1 1800773087 DPIYGBUUFYMQEU-IVWMJMPLSA-N 391.449 -0.020 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@H]2COC[C@H]21 1801600718 CKRHOWRZSPGKPP-ANEUXZKPSA-N 389.452 -0.673 30 20 GBED N#CCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804092000 RRAPNSYUFAAOKV-CXAGYDPISA-N 384.396 -0.447 30 20 GBED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@@H](N)C(N)=O)CC2 1826015208 JITAIUFZMMWIIP-XHNCKOQMSA-N 385.515 -0.034 30 20 GBED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1831345633 LKWQHBIVDDABQX-DOMZBBRYSA-N 394.515 -0.804 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1831487819 SCUHGRIOBDPCPH-HOCLYGCPSA-N 398.489 -0.916 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1839693632 QTLAVGFTGKBQSK-OAQYLSRUSA-N 398.463 -0.527 30 20 GBED CCn1cc(/C=c2/s/c(=C(/C#N)C(=O)N3CCSCC3)n(C)c2=O)cn1 264875582 WZKIKUNSGRHKAL-IHRRDAEPSA-N 389.506 -0.258 30 20 GBED N#Cc1cccc(NC(=O)CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 265378885 QPRSPTNVICGXCZ-HZPDHXFCSA-N 378.454 -0.416 30 20 GBED CNC(=O)[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCO1 272764831 GKMJFEVDTQAEDU-SMDDNHRTSA-N 380.426 -0.802 30 20 GBED C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)c2nnc[nH]2)CC1 274464917 LTQLMHUAWSWKMG-LBPRGKRZSA-N 390.425 -0.023 30 20 GBED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(OCC#N)c1 277104294 LRJQQIKIIHUPCE-UHFFFAOYSA-N 383.430 -0.524 30 20 GBED COCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 287948902 WIXRWYLPDMHLTA-UHFFFAOYSA-N 377.444 -0.176 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)NCCS(=O)(=O)N1CCSCC1 410148607 FYFBEUQWTJFVQG-GFCCVEGCSA-N 384.549 -0.319 30 20 GBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1n[nH]cc1C(=O)OCC 443031697 YXEXZQWLENJECM-JTQLQIEISA-N 377.444 -0.050 30 20 GBED COC(=O)CN1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 475309373 HYMLJGNMLWPKJE-UHFFFAOYSA-N 390.444 -0.706 30 20 GBED C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(C#N)cn2)CC1 502664464 GNLNESNYGHXCGQ-UKRRQHHQSA-N 377.470 -0.233 30 20 GBED CN(C(=O)CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C1(C#N)CCCCC1 532709291 ZWZZLKFXGQDYPD-CVEARBPZSA-N 398.529 -0.241 30 20 GBED COc1cc(NC(=O)C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)c(F)cc1C#N 599995671 XXJCWMJSPIMOKE-WCQYABFASA-N 385.373 -0.427 30 20 GBED CC(=O)NC[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCO1 609794326 NESBHGVQZWZZCV-INIZCTEOSA-N 379.438 -0.163 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)CC2)c1C#N 615952741 HRUCUQDKYPIVHD-UHFFFAOYSA-N 397.505 -0.240 30 20 GBED C#CCN1CCC(C(=O)NCC#CCNC(=O)C2CCN(CC#C)CC2)CC1 773787388 WBPWGAHJMDAGBV-UHFFFAOYSA-N 382.508 -0.087 30 20 GBED C=CCN1CC[C@H](OC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)C1=O 798585808 CNZOJCPHDMPMAC-HNNXBMFYSA-N 397.453 -0.010 30 20 GBED C=C[C@H](O)C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 814546360 AMQAZBKLEFBTHF-AWEZNQCLSA-N 384.410 -0.264 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CCCn2c(C)cc(=O)cc2C)CC1 831574241 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C[C@@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CCN(CC(=O)NCC#N)CC1 1580308215 XHNHUKVRAZDEKK-LLVKDONJSA-N 385.432 -0.335 30 20 GBED N#Cc1nc(N2CCc3sc(S(N)(=O)=O)cc3C2)cnc1-c1nn[nH]n1 1581879459 MFEDLAPQNSALAQ-UHFFFAOYSA-N 389.426 -0.200 30 20 GBED N#Cc1ncn(CCNS(=O)(=O)Cc2ccc(F)cc2-c2nn[nH]n2)n1 1581885543 DNFHVXJRUULNFN-UHFFFAOYSA-N 377.365 -0.411 30 20 GBED O=C(C#CC1CC1)N1CC[C@]2(C1)CN(c1nccnc1-c1nn[nH]n1)CCO2 1581912767 XTJOBGVTIZVSAQ-SFHVURJKSA-N 380.412 -0.122 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[nH]n2)C[C@H]1OC 1588351129 FYLDTMLQYCILIR-OWCLPIDISA-N 396.455 -0.321 30 20 GBED C#C[C@H](NC(=O)N1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1)[C@H]1CCCO1 1602689706 UPPZHARVXGRFCO-UONOGXRCSA-N 399.459 -0.079 30 20 GBED N#Cc1cnc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c(F)c1 1612067065 JAUXPWCCASCEGT-GFCCVEGCSA-N 388.446 -0.269 30 20 GBED N#Cc1cn(CCC(=O)N2CCC[C@H](NC3CCOCC3)C2)c(=O)nc1O 1633458872 VGLYZWIQZONCJV-HNNXBMFYSA-N 375.429 -0.030 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781421852 PFLMAQPRSHPYPC-KDOFPFPSSA-N 377.445 -0.319 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1783566799 JGLFYJRXUGZRGD-INIZCTEOSA-N 378.772 -0.339 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnnn3C)[C@H]2C1 1785459244 FQJFQDWHWJEGHK-HOSILWTGSA-N 375.429 -0.553 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)N(C)C)C2 1792562242 MCGIHOZNXMIVJH-MQRSDUHLSA-N 391.472 -0.246 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cncn1)C2 1793346466 BARGHXUKIJHROG-GVRJEKJASA-N 375.429 -0.533 30 20 GBED CC(C)[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(CCO)CCO)C2 1793613862 AYDSQTGAKWYBGL-IVSAIRAKSA-N 387.546 -0.134 30 20 GBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1800998082 UBLGMTNNTJTDLU-XOIINTDNSA-N 385.486 -0.422 30 20 GBED C#CC(=O)NC[C@H]1CCN(C(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1812528257 IXCQRGKMVPSOAR-WIYYLYMNSA-N 397.479 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C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1840844871 POPVKQHWPCIKHN-QGZVFWFLSA-N 384.454 -0.326 30 20 GBED CC/N=C(/NC[C@@H](C)N1CCOCC1)N1CCN(c2cnn(C)c2)C(=O)C1 261611419 ADFQEHGMIGYZQC-OAHLLOKOSA-N 377.493 -0.245 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)CC1 286853199 YZCDPYUVKWPVSU-HNNXBMFYSA-N 380.489 -0.151 30 20 GBED C[C@H](O)CN(C(=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)[C@H](C)CO 297656054 FKQCDHZHQQIRHE-VNHYZAJKSA-N 376.413 -0.477 30 20 GBED Cc1onc(NS(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)c1C 349455689 IFSYSCNBROOGMC-UHFFFAOYSA-N 392.459 -0.287 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)C(C)(C)C1=O 349476395 PEQGBVJTANWXIZ-UHFFFAOYSA-N 392.503 -0.766 30 20 GBED CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 370732558 NHIUERGLELBZAH-LPRCSBTHSA-N 375.473 -0.052 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@@H]4CCN(C)C[C@@H]43)CC2)c1C#N 410981320 NTKUOXOMURVZED-RDJZCZTQSA-N 399.499 -0.199 30 20 GBED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424441098 SRBJEBDGSWNPJC-CYBMUJFWSA-N 395.393 -0.394 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N(CCN2CCOCC2)Cc2ccco2)CCO1 452066720 GOAFPRNIIKTOQD-INIZCTEOSA-N 384.458 -0.117 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[S@@](=O)[C@@H](C)C1 460711422 XUFGQKYKNVTIME-JWNZJDHWSA-N 386.437 0.365 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)Nc2cc[nH]n2)C1=O 479648582 MBUJDWHVXXKKPY-NSHDSACASA-N 390.400 -0.144 30 20 GBED COC(=O)CN(CC#N)CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 485080433 XRKQBTJUSZCCPO-KGLIPLIRSA-N 387.458 -0.820 30 20 GBED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1 504497578 UWUANPCSYZSRPG-UHFFFAOYSA-N 375.433 -0.676 30 20 GBED N#Cc1cn(C2CN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)C2)c(=O)nc1O 530268281 VFFLYHKIXHCIEI-UHFFFAOYSA-N 386.368 -0.932 30 20 GBED CCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c1=O 533120429 LAONOJRUCGBOMZ-UHFFFAOYSA-N 387.465 -0.270 30 20 GBED C=CCN(CC(=O)c1c(O)nc(=O)n(C2CC2)c1N)[C@H]1CCS(=O)(=O)C1 533387947 SOFREXVKOAHLMP-NSHDSACASA-N 382.442 -0.276 30 20 GBED CCOC(=O)CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 579731070 IWVILNISRPLVQV-UHFFFAOYSA-N 375.428 -0.280 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)c3cnn(C)c3)CC2)c1C#N 580900352 RKZKKUSXMQKUDW-LBPRGKRZSA-N 384.444 -0.140 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3nc(C(N)=O)cs3)CC2)nc1 595129061 BAIHJBOIPMMSGY-UHFFFAOYSA-N 399.436 -0.526 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 596838952 GXPBVPMVGOTRCU-STQMWFEESA-N 390.425 0.381 30 20 GBED CSCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(N)=O 600256336 ARCWIGJPUAMNKV-MFKMUULPSA-N 384.483 -0.052 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 646955292 SZQAEWJZOWCCKD-QGZVFWFLSA-N 387.436 -0.083 30 20 GBED C=C[C@H](CO)NCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 662167284 YNIZHMPHJDTCBX-CYBMUJFWSA-N 399.469 -0.209 30 20 GBED O=C(NCC#CCNC(=O)c1cnc2[nH]nnc2c1)c1cnc2[nH]nnc2c1 681340449 KEEMKFAMISDUPP-UHFFFAOYSA-N 376.340 -0.818 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC[S@](C)=O)CC2)c1 741142262 TVKABZTWFAZPAN-VWLOTQADSA-N 397.522 -0.266 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 745434426 RLNYVAQHEZUXQI-GFCCVEGCSA-N 380.422 -0.157 30 20 GBED Cc1cccn2c(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)cnc12 755804450 MVNCQHHRPANQJN-UHFFFAOYSA-N 376.398 -0.647 30 20 GBED C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCNC1=O 767673985 DCEOSFSCXNVJIO-MNOVXSKESA-N 394.409 -0.291 30 20 GBED C[C@@H](CC(=O)NCCc1nc(=O)o[nH]1)/N=C1/NS(=O)(=O)c2ccccc21 790073837 XGFVOHXJEYDVFT-VIFPVBQESA-N 379.398 -0.461 30 20 GBED COC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 810353926 XUYOSDMTVXWVQC-UHFFFAOYSA-N 383.368 -0.012 30 20 GBED C=C[C@@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 814547237 VPBMNLTZFDGXQX-CQSZACIVSA-N 386.401 -0.251 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2COCCN2C2CCCC2)CC1 831569133 YDLKVGZZEBQPHD-MRXNPFEDSA-N 384.502 -0.758 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 854832422 XKQLBVWNXPCLDT-ZDUSSCGKSA-N 376.504 -0.799 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CN2CSCCSC2)CC1 913788542 HOUPKYKLQTYRKR-UHFFFAOYSA-N 378.545 -0.705 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1CCOC 916198599 QNJSZAPSFMPGAQ-UHFFFAOYSA-N 377.422 -0.585 30 20 GBED CCOCCCNC(=O)[C@@H](C#N)C(=O)CN(C)S(=O)(=O)c1cccnc1 916866883 KUTYGZPEGZBFNE-AWEZNQCLSA-N 382.442 -0.046 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1OC 946822460 WPGOHZGRLCDJMP-YIYPIFLZSA-N 379.413 -0.932 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn(CCOC)n2)C[C@@H]1O 964490672 XZBBGRWCNMHTIE-ORQFMDKSSA-N 392.456 -0.188 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(=O)n2[nH]cnc2n1 1004345774 AQEHGAQDFUIHCT-FPVZYODXSA-N 398.423 -0.130 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 1073604213 AQIMALPSSPVJOT-HPBDAGMYSA-N 375.469 -0.053 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)C(=O)NC(N)=O)nn1 1111122604 SUHJPYTUWXOAAG-SFTQSGBHSA-N 375.433 -0.227 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1113126377 IVBXPKMOCCRJOD-AYCBFJCHSA-N 376.457 -0.046 30 20 GBED CN(C)S(=O)(=O)c1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)n(C)c1 1116565930 JHRXJPKECXLCTQ-JQIJEIRASA-N 395.441 -0.468 30 20 GBED C#CCOCCNC(=O)C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 1117390080 AOZFYYMWZUEFHV-UHFFFAOYSA-N 382.461 -0.579 30 20 GBED C=CCN(CCOC)C(=O)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 1118949161 XSQKTCYCJIXJSL-UHFFFAOYSA-N 390.506 -0.622 30 20 GBED CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CCO1 1261323184 ZDFXOUUTILXQKF-OLZOCXBDSA-N 382.417 -0.511 30 20 GBED C=CCn1c(N2CCN(CC(=O)NCCOC)CC2)nnc1[C@@](C)(O)CC 1262965775 WGGGCEHGXPFVFK-SFHVURJKSA-N 380.493 -0.034 30 20 GBED CNC(=O)CN1CCC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 1319786771 ZVBUDLQRTITZRT-UHFFFAOYSA-N 389.460 -0.225 30 20 GBED COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnn(CC#N)c1 1320590802 ZLPPCYGKFMVOKE-INIZCTEOSA-N 398.423 -0.165 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H](CNC(=O)CCC)C1 1323725195 AYVCSJCDPJHIJW-CQSZACIVSA-N 387.502 -0.142 30 20 GBED CN1CCC[C@@H]2CN(C(=O)C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC[C@H]21 1326596381 JTHQVDWTUVWSEV-SZGQWAQFSA-N 389.456 -0.428 30 20 GBED COc1ccc(N2C[C@@H](NC(=O)C(=O)N3CC[C@@](O)(CC#N)C3)CC2=O)cc1 1328544669 HZGVZWGOVOKAJZ-DJJJIMSYSA-N 386.408 -0.206 30 20 GBED N#Cc1cccc([C@H]2CN(C(=O)C(=O)NCCN3C(=O)CNC3=O)CCO2)c1 1346339157 OXXHHTMXCPSEFI-CQSZACIVSA-N 385.380 -0.874 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)Cc2nnc3c(=O)[nH]ccn23)CC1 1460726838 VGRARYCAPCHBIO-AWEZNQCLSA-N 386.460 -0.458 30 20 GBED CC#CCN1CCC(N(Cc2cnn[nH]2)C(=O)CN(C)S(C)(=O)=O)CC1 1575123645 UMILMFJDIQSPLA-UHFFFAOYSA-N 382.490 -0.488 30 20 GBED N#Cc1ccc(N[C@H]2CCCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)C2)nc1 1581872981 ONBIJAQRVRDIMD-LBPRGKRZSA-N 379.388 -0.172 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1O 1588443013 LYKYXPRDODUICY-ZGFBFQLVSA-N 386.416 -0.696 30 20 GBED C=CCC[C@@H](CO)NC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1588578179 YBEMDSSWAAUTGS-LBPRGKRZSA-N 380.430 -0.412 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)NCCCN=c1cc[nH]cc1-c1nn[nH]n1 1588658838 VSDWICUXVPSPTJ-UHFFFAOYSA-N 387.448 -0.134 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@]2(C(=O)O)C[C@H](OCC)C2(C)C)C1=O 1588832109 BIWSCUNTGHWWGZ-DYZYQPBXSA-N 381.385 -0.262 30 20 GBED N#CCNC(=O)CNCC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1592677324 CANSJTWJOBBSMW-LBPRGKRZSA-N 385.432 -0.191 30 20 GBED N#CCNC(=O)CNC[C@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CCCC1 1592677964 MMYPPZOTKCQWCO-AWEZNQCLSA-N 385.432 -0.287 30 20 GBED N#C[C@@]12CN(C(=O)N[C@@H]3CCOC4(CC(C(=O)O)C4)C3)C[C@H]1CS(=O)(=O)C2 1601080036 ZFADYWXBBJXDMV-SWAYWBLESA-N 397.453 -0.021 30 20 GBED C#CC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)C(=O)O 1602693612 ZHXAVBIKJYFDKA-LBPRGKRZSA-N 380.378 -0.316 30 20 GBED CC#CCCNC(=O)C(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1609060032 VCWWQRDFJACYBV-UHFFFAOYSA-N 382.428 -0.124 30 20 GBED CN(C)S(=O)(=O)CCS(=O)(=O)N1CCN(c2ccc(C#N)nc2)CC1 1622524038 MIQAGSAWJDAJRS-UHFFFAOYSA-N 387.487 -0.704 30 20 GBED N#Cc1cn(CC(=O)N2CCCNC(=O)[C@H]2Cc2ccccc2)c(=O)nc1O 1625200053 WJICSCSOELNJKD-OAHLLOKOSA-N 381.392 -0.220 30 20 GBED N#Cc1ccccc1NC(=O)CCN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 1652970962 OCLOFNIBZHDZMX-IAGOWNOFSA-N 392.481 -0.338 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](N)CN)C2)cc1 1778001001 FRNJUSVDABXEQB-SQGPQFPESA-N 385.468 -0.028 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cccn4cn3)C2)C1 1778050706 FQESXJITMYCIPN-IBGZPJMESA-N 382.376 -0.134 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779107459 VIPJLQGERGDPGM-FCGSJESLSA-N 393.396 -0.567 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1781390281 IROVSMRYCMOHCE-QWQRMKEZSA-N 397.476 -0.790 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(OC)OC)C[C@@H]21 1783528558 XAGLHZFBUQVUQC-YSFHWQLDSA-N 395.456 -0.557 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4ncnn4c3)[C@H]2C1 1788452638 SAMHOJLAHDPGDE-KKUMJFAQSA-N 397.391 -0.589 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1789292666 CJPPHABGUBXHKB-HOSILWTGSA-N 390.440 -0.046 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3ccnn3)[C@H]2C1 1790639376 SUHFGFQKMBFFKK-QEOTZNIISA-N 389.456 -0.143 30 20 GBED CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)COC1 1795597595 ORIDMRFZULZQGK-QDMKHBRRSA-N 378.473 -0.106 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(CO)on1 1798730092 OVJSZZRFURDKEO-NFFDBFGFSA-N 379.413 -0.039 30 20 GBED COC(OC)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1831042830 GTNCPUOVUVJOSQ-GOSISDBHSA-N 381.429 -0.244 30 20 GBED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831208220 JBEJGOFDWBMFBU-FOIQADDNSA-N 391.468 -0.229 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1831391149 IIHQTFPUQNQYQB-BEFAXECRSA-N 396.440 -0.566 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1831396030 HILVFHXQORNASD-ACJLOTCBSA-N 392.412 -0.776 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1831424276 GJUQLWDZPZHEBK-QMTMVMCOSA-N 395.456 -0.688 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@@H](NC)C(=O)O)CCO3)C2)C1 1835752208 PEEOHIFFIJMPPN-BEFAXECRSA-N 395.456 -0.528 30 20 GBED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1837313880 DYZQKCUXZSPPDQ-HNAYVOBHSA-N 394.472 -0.121 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1839840302 CUANWZXHKFUHJJ-YZVOILCLSA-N 396.488 -0.752 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1)CCO2 1840581298 SPOMYIJVEBKJJJ-GUYCJALGSA-N 382.438 -0.574 30 20 GBED CC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)C(C)(C)C#N)C3)CC1 1843972435 NIBNFZNDLNFIDE-UHFFFAOYSA-N 375.473 -0.096 30 20 GBED C#CCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 66907851 SRLNXBYHUFVOAP-UHFFFAOYSA-N 378.410 -0.333 30 20 GBED Cn1c(=O)c2c(ncn2CC(=O)N(CCC#N)Cc2cccnc2)n(C)c1=O 122585758 HLMRKDBUBGMUGE-UHFFFAOYSA-N 381.396 -0.229 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 268852969 CNPCIEWQFKDPGN-SUHUHFCYSA-N 380.426 -0.626 30 20 GBED COCCCNC(=O)/C(C#N)=c1/s/c(=C\c2ccnn2C(C)C)c(=O)n1C 279885114 HSBWRIDSGYWISM-XYAOMVCZSA-N 389.481 -0.120 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1 293973533 WZSUEUZFTOKYOP-CQSZACIVSA-N 399.494 -0.296 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(Cc3cc(C)no3)CC2)C1=O 297719913 FTTUNKLSQSBONU-INIZCTEOSA-N 389.456 -0.127 30 20 GBED COCCN1C[C@H](/C(O)=N/[C@H](C)C(=O)N2CCS(=O)(=O)CC2)CC1=O 329301992 WDJHYMUJUSEUEA-VXGBXAGGSA-N 375.447 -0.917 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CC(=O)N(C)C1 349457999 SUYMUWNYMJAKKN-NSHDSACASA-N 386.455 -0.313 30 20 GBED Cc1nc2n(n1)CCN(S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N)C2 349484350 YHEGNQJOTLHCIH-UHFFFAOYSA-N 396.454 -0.407 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)NCC1(O)CCC1 349572533 VCHCCBHJJCHQFB-LBPRGKRZSA-N 397.544 -0.518 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)CCO1 409503334 SCDFDHXJZQEVBM-IXDOHACOSA-N 380.470 -0.319 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@@H](O)C[C@H]3CO)n2)c(Cl)c1 442266995 KIUDHPKBEJIDTE-RYUDHWBXSA-N 389.799 0.290 30 20 GBED Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1Nc1c(C#N)c(=O)n(C)c(=O)n1C 463073841 ZEHYOBKPAYXNNW-NSHDSACASA-N 392.441 -0.128 30 20 GBED Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(C(=O)CC#N)CC1 503642317 LDAVWQWOHIBJIK-NSHDSACASA-N 383.430 -0.457 30 20 GBED CS(=O)(=O)Nc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 530268196 UVFOGAIFVMVVPT-UHFFFAOYSA-N 389.393 -0.111 30 20 GBED CNC(=O)[C@@]1(C)CCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)C1 573266515 CQGUZTLSQNAZLG-AWEZNQCLSA-N 394.519 -0.614 30 20 GBED COC(=O)CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 574575826 ZMRGGVXIEPFIQR-CYBMUJFWSA-N 397.409 -0.552 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@@H]2C(=O)N(C)C2CC2)C1=O 591168396 UXZRUCQKUDSLNQ-LLVKDONJSA-N 380.426 -0.515 30 20 GBED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](O)[C@@H]2CCCO2)c1 600760358 JIAUUQJTRJDGMN-KGLIPLIRSA-N 389.455 -0.693 30 20 GBED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cc1 615635267 UOCQAFRVRDMUBV-GOSISDBHSA-N 390.371 -0.079 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cc(-c3c(C)nn(C)c3C)[nH]n2)CC1 728531947 VKHRDIYBEVXJIY-UHFFFAOYSA-N 383.456 -0.066 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC1 728534689 PYXASXLLWCNLSQ-UHFFFAOYSA-N 397.435 -0.754 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CC[C@H](CN2CCCC2=O)C1 826977833 OJIZOKWYJSZYRB-CQSZACIVSA-N 384.440 -0.048 30 20 GBED COC(=O)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O 831129252 VDMZGSQSBQPHRS-CABZTGNLSA-N 383.382 -0.642 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H](C)CC)C2)CC1 831561052 ORUHAARTDGEJGO-JKSUJKDBSA-N 398.529 -0.117 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)nc2F)CC1 872515727 TYSMRRIXUTUINU-UHFFFAOYSA-N 396.853 -0.352 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc3n(n2)CCCO3)C1 969278019 AMDXPZTWACYFGD-GUSZCTEKSA-N 390.440 -0.052 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CCS(=O)(=O)CC1 1109781991 FMOQUKQETGMEAL-UKMLZYKCSA-N 381.498 -0.329 30 20 GBED NC(=O)[C@@H]1CN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 1116988204 SZQYDYARWYMOPT-ZDUSSCGKSA-N 383.326 -0.114 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@@H]1CCN(C2CC2)C1 1117046245 OECPCOUOKYIIBN-GJZGRUSLSA-N 397.483 -0.014 30 20 GBED C=CCSCCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 1117147237 NJYWNLVPAVQSLP-UHFFFAOYSA-N 382.486 -0.685 30 20 GBED C#CCN(C)CCCNC(=O)C(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1 1117755635 QAWBTCXIXLJSOQ-AWEZNQCLSA-N 395.485 -0.439 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 1118477367 JZMVJSWOKRPOCX-UHFFFAOYSA-N 397.453 -0.670 30 20 GBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)C1 1219652132 BUOIZDSDSBVUBS-MKXGPGLRSA-N 385.464 -0.283 30 20 GBED C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1328872062 BKQGJPRCQKOTDH-CQSZACIVSA-N 392.481 -0.248 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)C1=O 1330002812 NRSSORYIMZLMAS-HUUCEWRRSA-N 392.456 -0.872 30 20 GBED Cc1ccc([C@H](CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)N2CCOCC2)o1 1345825566 HUKYSTXHXCFSNK-KXBFYZLASA-N 390.440 -0.045 30 20 GBED N#C[C@@H](C(=O)CCNC(=O)c1cccs1)C(=O)N1CCS(=O)(=O)CC1 1346025893 CISQQGLKDQZIJH-NSHDSACASA-N 383.451 -0.166 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC2OCCO2)C(=O)O)c1 1573311584 ULRYFZMJJABCDK-CYBMUJFWSA-N 382.394 -0.456 30 20 GBED C#CCN(C(=O)CCN(C)C)C1CCN([C@H](C)C(=O)NCc2cnn[nH]2)CC1 1574894878 JZGFJXSCJPMHAQ-OAHLLOKOSA-N 389.504 -0.313 30 20 GBED C#CCO[C@H](C)C(=O)N1CCN(CCNC(=O)[C@H](C)OCc2cnn[nH]2)CC1 1575012513 BFEUUAJCYZPBCX-LSDHHAIUSA-N 392.460 -0.992 30 20 GBED C#Cc1cncc(C(=O)N2CC[C@@H](CN[C@H](C)C(=O)NCc3cnn[nH]3)C2)c1 1575032786 MEBOPMSSLACJON-HIFRSBDPSA-N 381.440 -0.062 30 20 GBED C=CCCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575092945 BSBIKHTVZSWDSF-PMPSAXMXSA-N 376.461 -0.187 30 20 GBED N#Cc1cc(C(=O)N2CCC[C@H]3CN(CC(=O)NCc4cnn[nH]4)C[C@H]32)c[nH]1 1577712681 VNCZPPYQEVAXCG-BLLLJJGKSA-N 382.428 -0.143 30 20 GBED C#CCOCCC(=O)NC[C@@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1 1588361094 DOCIIRFYKKDZBS-MRVPVSSYSA-N 385.837 -0.095 30 20 GBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[nH]n2)cn1 1588627677 FRMLUIWBZPTWSI-NSHDSACASA-N 384.443 -0.375 30 20 GBED COC(=O)[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C[C@@H]1C(=O)O 1598810443 KUQZCGZCFCFPMD-KBPBESRZSA-N 394.405 -0.195 30 20 GBED C=CCOCCCC(=O)NC[C@@]1(O)CCN(c2nccnc2-c2nn[nH]n2)C1 1602872198 XJVAVHMRXVXIPH-KRWDZBQOSA-N 388.432 -0.303 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(CO)(CO)CC1 1644247889 PUTCQYDARMDYLQ-UHFFFAOYSA-N 381.454 -0.291 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cc[nH]n3)C2)C1 1782786940 MUNURYQBJQDJOY-ZRHASKPBSA-N 387.440 -0.360 30 20 GBED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1783194637 FZUDXJZBQVCPAK-BLLLJJGKSA-N 388.415 -0.380 30 20 GBED Cc1cnc2c(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)cnn2c1 1783565807 ZIRDQQWZEYHGCC-LJQANCHMSA-N 397.391 -0.431 30 20 GBED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1783889813 NINNIWXJWUIXSS-PIGZYNQJSA-N 393.469 -0.612 30 20 GBED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@H]2C1 1784805864 XMFUIUWHUDHTEB-RFGFWPKPSA-N 395.481 -0.401 30 20 GBED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)CCC1 1785365473 ZRXCKCGXUORGGT-ACJLOTCBSA-N 377.445 -0.897 30 20 GBED CC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)ON=C(C)C)C[C@@H]21 1790846774 CBUIAAXHNFTTJL-OEAJRASXSA-N 382.461 -0.097 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)OCC)C2 1793342625 WBGKEPSUANNGKD-JSFJHWFLSA-N 378.425 -0.266 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CC)NC(N)=O)C2 1793342682 LUUDYUOJBHIXET-RMEBNNNOSA-N 380.445 -0.939 30 20 GBED Cc1ccc(=O)n(C(C)(C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)n1 1795082576 OBJRERLJJCSMCS-XOIINTDNSA-N 387.440 -0.210 30 20 GBED COc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)n1 1800773767 SNPCDRKTLGDOPN-DBWKPXFBSA-N 387.392 -0.690 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(C)C 1801548073 KGUIYTQFMIPGKP-BFUOYJEKSA-N 392.500 -0.225 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCOC1 1802069614 KOPHYGPXYRVXLB-KJSVGROVSA-N 391.468 -0.139 30 20 GBED CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831221683 YQYBORAEBZQIOX-AUUYWEPGSA-N 377.441 -0.619 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1831391312 MXZXKRBXUFWWEW-KXBFYZLASA-N 390.440 -0.472 30 20 GBED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C)C2)C1 1831406216 AUJABCLOIPBRGY-IBGZPJMESA-N 383.489 -0.013 30 20 GBED Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)no1 1832924036 DVXKWMKSAKIVLE-KRWDZBQOSA-N 377.401 -0.319 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835516650 QWSDXFNPZHFBQJ-YGRLFVJLSA-N 376.504 -0.612 30 20 GBED N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)c1ccccn1 1835696384 YUEQLYMVXXDWGA-TZIWHRDSSA-N 398.463 -0.049 30 20 GBED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(O)O)C3)C2)c1 1839450788 HIOYHBWGHJNGLS-LJQANCHMSA-N 389.408 -0.753 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CN2CCN(C(C)=O)CC2)C1 1843972944 NWVKLEBINKBCNW-INIZCTEOSA-N 392.500 -0.055 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCOCC1 1847263286 RRWAMKLJZULQBA-HFZJXRFXSA-N 376.457 -0.621 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)cc1 42106204 JLKWWOYRBKECDV-UHFFFAOYSA-N 376.482 -0.067 30 20 GBED CCN(CCC#N)C(=O)Cn1c(=O)c(I)cn(C)c1=O 93905298 OJXYCANGQTUYIJ-UHFFFAOYSA-N 390.181 -0.086 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)c3c(O)nc(O)nc3n2)CC1 265885393 JXKMOMDQLCWVPB-UHFFFAOYSA-N 398.423 -0.358 30 20 GBED C#CCNc1nc(N(CC)CCOCCO)nc(N(CC)CCOCCO)n1 286624424 ZBKLRDHJCASMDH-UHFFFAOYSA-N 396.492 -0.413 30 20 GBED COc1cccc(C/N=C(/O)N2CCN(C(=O)CN3CCOCC3)CC2)n1 328793261 ATIOGRJUHXTPIJ-UHFFFAOYSA-N 377.445 -0.019 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H]([C@H]2CCOC2)C1 349500307 PXBTXWXWKPQOIQ-KBPBESRZSA-N 379.504 -0.150 30 20 GBED CC1(C)[C@H](NS(=O)(=O)CCCS(=O)(=O)NCC#N)[C@@H]2CCCO[C@H]21 349558520 RVSFWCKTHUPETH-YNEHKIRRSA-N 379.504 -0.058 30 20 GBED C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nn(C)cc2C#N)CO1 349573285 KZMKNKLWCDUGQJ-PWSUYJOCSA-N 391.475 -0.480 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2COCCN2CC(F)(F)F)CC1 367388227 OBQSXFHDSWYWOH-AWEZNQCLSA-N 390.406 -0.467 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 465271044 VSFIPDWRRFVGGG-LSDHHAIUSA-N 385.472 -0.205 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccn(CCC(N)=O)n1 482175334 AJLKHNFQSLKUSF-LLVKDONJSA-N 390.425 -0.064 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)O)CC2)c1 497956324 AZVGNKPMHJCSTC-CYBMUJFWSA-N 381.454 -0.184 30 20 GBED COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1=O 500336368 WRXWMRRLWUYMKD-ZDUSSCGKSA-N 376.344 -0.084 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)NCCN2CCCCCC2)C1=O 554452722 FYHGXHQJURRSDN-UHFFFAOYSA-N 393.444 -0.928 30 20 GBED COc1cncc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n1 570806621 HTWGKIUKMOHYSV-UHFFFAOYSA-N 384.400 -0.314 30 20 GBED CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C1 583075230 FIOSVHHIZQKPGE-QGZVFWFLSA-N 384.484 -0.431 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[C@H]3C(N)=O)CC2)cc1 583516864 QJHDMZFYYSLIDR-CABCVRRESA-N 376.438 -0.097 30 20 GBED NC(=O)N1CC[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 733970689 GITJSYPPLOJZTL-NSHDSACASA-N 379.442 -0.226 30 20 GBED C#CCN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C(N)=O)cc3)C2=O)CC1 749873316 GIRDKIHWVNTYJT-FQEVSTJZSA-N 397.435 -0.670 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc(C(N)=O)n3)CC2)o1 781725175 PSDORNNMTGLDAA-UHFFFAOYSA-N 398.379 -0.146 30 20 GBED C[C@@H](CNC(=O)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)S(N)(=O)=O 781971731 CUMVRZQALQUBTD-FZMZJTMJSA-N 380.426 -0.749 30 20 GBED C[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 783398205 ZCZWADPWNDHODZ-FZMZJTMJSA-N 393.421 -0.477 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)CCc2ccc(OC)cc2)CC1 788618233 XYHCTYZVSPURLQ-UHFFFAOYSA-N 379.482 -0.066 30 20 GBED COC(=O)c1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)nn1 798531777 HNZLOTGERSDIMB-UHFFFAOYSA-N 375.366 -0.060 30 20 GBED C=C(Br)CNC(=O)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 804065765 WRTFHPNXZHSREF-LLVKDONJSA-N 375.267 -0.285 30 20 GBED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)CCS(C)(=O)=O 809889357 ZQEJRNLZXCBCCR-NSHDSACASA-N 379.508 -0.055 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)c1 811489479 DBGFZMUHQZGRHP-OCCSQVGLSA-N 378.410 -0.207 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 826673481 KCQNSEKDKDNXAJ-UHFFFAOYSA-N 392.456 -0.144 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](CC(=O)O)C1 827754965 ODCBDLVPUXPKJP-YPMHNXCESA-N 381.410 -0.073 30 20 GBED COC(=O)c1cc(S(=O)(=O)N(CC#N)CC(=O)O)c(C(=O)OC)s1 833714791 WWKHRXGMRMYWJW-UHFFFAOYSA-N 376.368 -0.080 30 20 GBED Cn1c(N2CCC(O)(CNC(=O)OC(C)(C)C)CC2)c(C#N)c(=O)n(C)c1=O 848726305 PWOKZLGEZXUJPB-UHFFFAOYSA-N 393.444 -0.188 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](C)[C@H](O)C1 848955967 HYXHIYXMTSLPLJ-UONOGXRCSA-N 397.478 -0.165 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 850725427 NHDUVZZPLSVQCW-UHFFFAOYSA-N 391.428 -0.821 30 20 GBED Cn1c(=O)c2cc(C(=O)OCCOCCOCCC#N)cnc2n(C)c1=O 861318118 CNYZNCBOJZZCGK-UHFFFAOYSA-N 376.369 -0.264 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CN(C(C)=O)c2ccccc2)CC1 913788393 CCKGGMJZCPOASH-UHFFFAOYSA-N 378.454 -0.349 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1043247195 ZXQZZQFPNXBDGH-QXSJWSMHSA-N 381.473 -0.624 30 20 GBED Cc1cc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)c(C#N)cn1 1043792059 YTQOMNFJBKWCMO-MWDXBVQZSA-N 385.424 -0.289 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2nnc3n2CCOC3)C[C@H]1O 1077807184 FUDVYIZXOYYBEQ-BORJPKMPSA-N 391.472 -0.159 30 20 GBED C=CCN1CC[C@H](N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2CC(=O)NC2=O)C1=O 1098055510 DRQADVMRFIVIAR-MQYQWHSLSA-N 375.429 -0.953 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(C)nn1 1109229423 TUXSTCDEOYBVSY-NMKXLXIOSA-N 375.433 -0.450 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCCOC 1110405490 BIULEUQEQHXRMA-YJNKXOJESA-N 382.461 -0.229 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC1CCS(=O)(=O)CC1 1116380405 FZULGEHVOLEKGN-UHFFFAOYSA-N 385.467 -0.334 30 20 GBED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N[C@H](C)CC#N)cn2)C[C@H](C)O1 1116710688 KGOUAGXDEJXXRL-AGIUHOORSA-N 376.417 -0.124 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1117934471 QTJOLNMVRQJKLJ-SFHVURJKSA-N 380.448 -0.158 30 20 GBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 1130615337 QPEOWEQCJIKLQZ-UKBAYJJMSA-N 389.500 -0.327 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(CS(C)(=O)=O)c1 1254492908 PJQXFUPJVZWWBD-UHFFFAOYSA-N 388.467 -0.113 30 20 GBED O=C(NCC#Cc1ccccc1)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 1321400119 QHBSHHFOFUUFRB-LJQANCHMSA-N 384.480 -0.323 30 20 GBED N#CCN1CCC(NC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 1321838823 MVQNEDZZJTXQOB-SFHVURJKSA-N 395.529 -0.585 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CCC[C@H]2C2OCCO2)CC1 1336523128 WFUQOUDZAPDKAS-HNNXBMFYSA-N 385.424 -0.034 30 20 GBED C=CCn1c(Cc2nc[nH]n2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1340488513 YBPQIWOFAINHAM-CQSZACIVSA-N 385.476 -0.084 30 20 GBED C[C@H](NC(=O)C#CC1CC1)[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1575249528 YVBMLHCLWBMPMM-XHDPSFHLSA-N 383.412 -0.046 30 20 GBED N#Cc1ccc(C(=O)NC[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)CCO2)[nH]1 1581867301 CGBOMBBWGBBNMA-LLVKDONJSA-N 380.372 -0.508 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ccc(C(=O)O)cc2)CC1 1588485239 JQBHLYDQBVHBFC-UHFFFAOYSA-N 379.438 -0.071 30 20 GBED C[C@H](C(=O)OCC(=O)NCc1cccc(-c2nn[nH]n2)c1)n1cnc(C#N)n1 1589025975 HCCABCYNWPLSLU-SNVBAGLBSA-N 381.356 -0.250 30 20 GBED CCOC(=O)c1cc2n(n1)C[C@@H](C)N(S(=O)(=O)N1CCO[C@@H](C#N)C1)C2 1622582197 KYIKKOMTAAIFLK-YPMHNXCESA-N 383.430 -0.267 30 20 GBED CN(C)C(=O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779064812 OCLMNFAPAGVRKZ-FQEVSTJZSA-N 391.468 -0.397 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784592561 PGIWJLLWEKXFPJ-CJNGLKHVSA-N 380.474 -0.017 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn(C)n3)[C@H]2C1 1785874576 COPUKZPWNJWMLY-AJNGGQMLSA-N 391.472 -0.019 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(C)n(C)n1)C2 1793340144 MFIFRTXVMJBFPB-OAFZBRQQSA-N 388.468 -0.101 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(S(C)(=O)=O)cn1 1794429089 PSJIEZXXNCOHFV-DRXBFXEBSA-N 377.422 -0.679 30 20 GBED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(C)=O 1797972366 XHILNSDCOGMMSV-FMPTWSOUSA-N 381.473 -0.061 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CCC1 1801981359 VAXFUPWOEJFQPF-CRWXNKLISA-N 377.445 -0.283 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1802476783 MTQVQTZWIYURNC-DEUPEYTOSA-N 388.424 -0.744 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCC(=O)NC1)CC2 1825660901 XETQSDVNPJOVTR-UWVGGRQHSA-N 390.421 -0.331 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](CC)NC(N)=O)C3)C2)C1 1829668108 GXTIQCJDVSNLQP-DNVCBOLYSA-N 394.472 -0.144 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1831434001 PJARXWOASNOJMN-DNVCBOLYSA-N 397.472 -0.440 30 20 GBED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835316927 CUHYNHVJJSKTPO-CLCXKQKWSA-N 379.457 -0.066 30 20 GBED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836149977 ASWLAQGQJOOOMW-RHSMWYFYSA-N 378.433 -0.658 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)c1 1836210155 MGFHBIHDZKMSSL-SFHVURJKSA-N 399.411 -0.752 30 20 GBED C#CC(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1838022952 CBRZHXPKQDAUKZ-UHFFFAOYSA-N 399.411 -0.942 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839883202 VIZJTJJQRFFILK-BEFAXECRSA-N 397.472 -0.440 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040178 QVRAWHOWVGMGRL-KSSFIOAISA-N 380.397 -0.878 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1840175646 WKBGTDWVHZYCPQ-WMLDXEAASA-N 386.470 -0.404 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)Cn1cncn1 1847262266 MAKPQQKEGWZCKU-LFULFBTMSA-N 386.456 -0.026 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2COCCN2C2CCCC2)CC1 188926127 WRPUFUFNWRPDIF-GOSISDBHSA-N 376.501 -0.087 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1C(=O)CCC1=O 268798481 COXDFLDBRCEPNC-NSHDSACASA-N 378.410 -0.510 30 20 GBED Cc1cc(NC(=O)CN2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)no1 282939633 URLAGRABRRRSAP-LBPRGKRZSA-N 384.462 -0.125 30 20 GBED C[C@@]1(C(N)=O)CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 288649083 QTYVJHWRXZPBFJ-MGPUTAFESA-N 397.435 -0.501 30 20 GBED Cc1cc(N2CCC[C@H](/N=C(/O)c3cn(CC(=O)N(C)C)nn3)C2=O)n(C)n1 329803047 JMUOPOSDFLHPEY-LBPRGKRZSA-N 388.432 -0.092 30 20 GBED CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cncc(OC)n1 348341886 IOSCYKGDPAFSRX-UHFFFAOYSA-N 376.460 -0.098 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 349469196 ARNZKDITFQECIH-AVGNSLFASA-N 392.503 -0.767 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@]2(CCN(C)C2)C1 349508612 XAIXZRRXYOCIAZ-LSDHHAIUSA-N 392.547 -0.045 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 349608687 NAARMGVPDNTQCW-BTFPBAQTSA-N 389.499 -0.187 30 20 GBED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)[C@H](C)C#N)CC2)C[C@@H](C)O1 416377046 WTFDHNISVIAZON-FRRDWIJNSA-N 380.492 -0.800 30 20 GBED N#Cc1cccc(NCC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 494437717 OVVXFBBFMCNTSD-UHFFFAOYSA-N 383.408 -0.210 30 20 GBED C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)NC3(C#N)CCC3)CC2)C[C@@H](C)O1 527128226 XWOTYSKBHNBINQ-GASCZTMLSA-N 399.517 -0.480 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C[C@@H](O)CN2CCOCC2)CC1 538148987 USBSQQWFCURBSH-MSOLQXFVSA-N 381.521 -0.696 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)CC1 570353096 QJZZJGSDAHKFFS-QGZVFWFLSA-N 382.505 -0.705 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@](C)(C(N)=O)C1 583642166 QQGHJZADILYONR-CYBMUJFWSA-N 380.492 -0.875 30 20 GBED Cn1cc(C#N)c(=O)n(CC(=O)NCCc2cnn(-c3ccccc3)c2)c1=O 598951478 GRVCNZDCQXFURE-UHFFFAOYSA-N 378.392 -0.037 30 20 GBED COCCN(CCC#N)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 609136235 GBOBFGFIBWCCLE-UHFFFAOYSA-N 394.453 -0.191 30 20 GBED CS(=O)(=O)N1CCN(CCNC(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 610586653 BZGQLAPVIBITCS-UHFFFAOYSA-N 397.432 -0.671 30 20 GBED CN1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 613868297 XYBVGTOGSXUBOP-HNNXBMFYSA-N 376.438 -0.131 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(NC(=O)COC)c2)C1=O 623219097 XBXNQBYVBPQTSZ-UHFFFAOYSA-N 388.380 -0.136 30 20 GBED COCC#CCN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 677818704 GHDFNWUGTTWTDK-UHFFFAOYSA-N 387.483 -0.710 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)N(CC(F)(F)F)C(C)C)CC1 761032121 YLLVCCOILWTYFJ-UHFFFAOYSA-N 384.424 -0.129 30 20 GBED COc1ccc(OC)c(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 771896497 AQEDXTUELSSFGE-UHFFFAOYSA-N 396.425 -0.196 30 20 GBED CS(=O)(=O)NCCNC(=S)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 792689290 VNDJJWYAIFIKHS-AWEZNQCLSA-N 395.510 -0.328 30 20 GBED N#Cc1cncc(S(=O)(=O)NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 813980236 WXMZOJMMWDIVBH-UOVKNHIHSA-N 386.389 -0.435 30 20 GBED C#CCNC(=O)CCN1CCN(CCC(=O)NCC#C)[C@@H](c2cnn(C)c2)C1 815090275 ILGIGEZTJYMBSD-GOSISDBHSA-N 384.484 -0.642 30 20 GBED COc1ccc(NC(=O)CN(CC#N)CC(=O)O)cc1S(=O)(=O)N(C)C 832394703 WTIQGLGTTSNNDL-UHFFFAOYSA-N 384.414 -0.206 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)O)CC2=O)CC1 846328832 KAVBBYJBNDHFQD-LBPRGKRZSA-N 381.454 -0.607 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](C)C1 949500020 QNTZRHCCUYSRRB-FPCVCCKLSA-N 378.473 -0.638 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)o2)C1 969243660 WIOYOWAMAIBXDS-NDBYEHHHSA-N 377.397 -0.339 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@H]21 972409744 GXYCIEUFSQPOTE-SYQHCUMBSA-N 391.428 -0.270 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1OCC 982938653 OPKNMUDWERDAAF-DLTWYDFYSA-N 392.460 -0.366 30 20 GBED C=CCn1cc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C)nn1 989992968 ZRTOMHDJCLQZRA-UVLXDEKHSA-N 376.417 -0.784 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccc(C)cc2=O)C1 1023741747 ADSRDNHKBCDAEU-VQHPVUNQSA-N 389.452 -0.174 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2OC)C1 1024999643 XKVYJMDZNDFQGK-NGFQHRJXSA-N 378.429 -0.289 30 20 GBED O=C(N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1)[C@@H]1OC[C@@H]2COCC[C@@H]21 1056041997 INEBHGZMHNKTOQ-JSFADZTLSA-N 376.453 -0.079 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1n1ccnn1 1070051614 GOEHSMSGOZTEMD-DFGXFYAUSA-N 388.472 -0.121 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@@H]1CCC(=O)N1 1111132538 XBEZZANXPRBGOF-DGAVXFQQSA-N 377.445 -0.612 30 20 GBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C)NC(=O)Cn1cnnn1 1111249052 ZAPWKADXGNOYNJ-YJNKXOJESA-N 377.449 -0.898 30 20 GBED C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1189118265 TZPXFLLGFQWAPU-VVLHAWIVSA-N 392.500 -0.023 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCC2CCN(CC)CC2)CC1 1262364374 VBSKOWPMLHBTBR-UHFFFAOYSA-N 385.534 -0.097 30 20 GBED C[C@@H]1C[C@H](CCNC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCO1 1324578589 SDHIVUINKSKVJI-FJOSAAFMSA-N 378.429 -0.050 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 1328814683 ATFHAWBWIRJSSA-CABCVRRESA-N 387.502 -0.537 30 20 GBED C[C@@H]1CCCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@@H]1CCO 1328921134 JWNDETUEVIPOLP-QVDVFPETSA-N 378.429 -0.362 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O 1329268101 XOAMWJKIQXEQSJ-HNNXBMFYSA-N 393.465 -0.066 30 20 GBED Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2=O)n(C)n1 1330407988 GWRGBGADVJKHTN-CABCVRRESA-N 399.455 -0.851 30 20 GBED C[C@H](C#N)C(=O)N1CCN(C2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC1 1573569731 FCEJUWZUDQVAFR-LLVKDONJSA-N 383.416 -0.677 30 20 GBED Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 1581137866 KDUBQBLTGIAEOD-ZIAGYGMSSA-N 379.384 -0.251 30 20 GBED C#CCNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1(C)C 1588353175 JHUYXGNTESTVLO-SMDDNHRTSA-N 384.444 -0.227 30 20 GBED C#CCO[C@@H](C)C(=O)NC1(CO)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 1588355723 LQEVDUQSSCHSHY-LBPRGKRZSA-N 386.416 -0.858 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2C1 1588356584 YBINSFKZOWWTAD-BNOWGMLFSA-N 383.412 -0.237 30 20 GBED C#CCOCCC(=O)NC[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCCO1 1588361536 PAJCHAIWUDPAEG-CYBMUJFWSA-N 386.416 -0.592 30 20 GBED N#C[C@@H](C(=O)c1cccc(OCC(=O)O)c1)C(=O)N1CCS(=O)(=O)CC1 1601047510 RVVZIACZOFRBQN-ZDUSSCGKSA-N 380.378 -0.271 30 20 GBED C#CCC1(C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCC1 1602699541 HYUIEXTTWFIEDO-UHFFFAOYSA-N 385.428 -0.061 30 20 GBED C#Cc1ccc(C(=O)N2CCO[C@@H](CN=c3cc[nH]c(-c4nn[nH]n4)n3)C2)cn1 1602737433 RJLZAOPHNFDSEI-AWEZNQCLSA-N 391.395 -0.592 30 20 GBED CS(=O)(=O)N1CC[C@@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1636615897 SKHMIVATSNOOPK-CQSZACIVSA-N 378.458 -0.181 30 20 GBED Cn1ncnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1785851336 AKZBVUQKUAGYIN-YDHLFZDLSA-N 383.412 -0.078 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]n3)[C@H]2C1 1787221098 ZDIDYYPEIQGDNI-IHRRRGAJSA-N 389.460 -0.320 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1C)C2 1793345617 RUBLXASCVBOXEY-JBXGNFEISA-N 377.441 -0.765 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NN(C)C(=O)CC1)C2 1793354730 NQMVMAQBWYGPNU-ZJOBFFGXSA-N 392.456 -0.225 30 20 GBED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793945634 RGCUAVHQLQPTFU-AIUMHDJVSA-N 378.429 -0.614 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2 1797712329 CTDCYODZQNWNPM-NIFZNCRKSA-N 392.460 -0.603 30 20 GBED C[C@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797811276 JSCGNMLVIKPILB-PKFJTPLDSA-N 382.461 -0.300 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1831393039 JGGACBCDQFLBMS-HNAYVOBHSA-N 390.440 -0.553 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cscn1)CCO2 1834259705 KAFDXQKUENFPLS-MRXNPFEDSA-N 379.394 -0.699 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1835357017 FVQBVSDAMXIZEF-QGZVFWFLSA-N 391.384 -0.738 30 20 GBED CC(C)CNC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835357387 WHSREXMTWCTJLY-SFHVURJKSA-N 380.445 -0.481 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnncc1C(=O)O)CCO2 1837948824 BHKBCJQTCGDAOG-SFHVURJKSA-N 390.396 -0.179 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1839807458 BJLZKXMFTJEUJL-WMLDXEAASA-N 378.454 -0.898 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1839810131 FRWBLMRBXZXURA-GOSISDBHSA-N 387.371 -0.428 30 20 GBED C[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)O1 1840042780 ODVXPNDOIWLJSJ-LBTNJELSSA-N 380.397 -0.902 30 20 GBED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840163360 GQLFHRCRDDBEQY-XHPFXEFZSA-N 385.486 -0.199 30 20 GBED N#Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 12611261 VSGJUSWHMAGYCP-UHFFFAOYSA-N 386.408 -0.533 30 20 GBED COc1cccc(C(=O)N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c1 29526369 IYLFZGRDLJUZTN-UHFFFAOYSA-N 383.408 -0.073 30 20 GBED C/N=C(/NCc1cnc(N(C)C)n1C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 87157377 GNMMDAYRMUXLJY-HNNXBMFYSA-N 377.493 -0.115 30 20 GBED C[C@H](O)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 275114965 FEFYMQIGBLSFNV-KBPBESRZSA-N 380.470 -0.250 30 20 GBED COCCNC(=O)/C(C#N)=c1/s/c(=C\c2c(C)cnn2C)c(=O)n1C1CC1 285289604 UZQDJFWYIAYNQA-VPWBUPDASA-N 387.465 -0.448 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 287002337 YWEYERIQYPSHCP-VIFPVBQESA-N 395.425 -0.291 30 20 GBED C[C@@H]1C(=O)NCCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 288703978 UTZARJBAXZIDQQ-IUODEOHRSA-N 383.408 -0.878 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@](COC)(C(=O)OC)C2)C1=O 297648262 AZEZNBFAIVVLFU-ACJLOTCBSA-N 381.429 -0.730 30 20 GBED N#C[C@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccn2)C1 348341117 IBEBCTJXHNTHNI-GFCCVEGCSA-N 377.423 -0.124 30 20 GBED Cn1cc(S(=O)(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c(=O)n(C)c1=O 363919981 AXSWWKWRQVWQPP-BBRMVZONSA-N 382.442 -0.300 30 20 GBED Cn1c(N)c(C(=O)CN2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c(=O)n(C)c1=O 366099421 YLYBLWHJVLKRNC-UGSOOPFHSA-N 375.429 -0.224 30 20 GBED C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 498971196 YACLAHPPRGLLEC-XOKHGSTOSA-N 392.481 -0.339 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CCO1 519290876 ABLAGQFUKCTDRX-INIZCTEOSA-N 386.408 -0.223 30 20 GBED CNC(=O)Cn1cc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cn1 551065231 UEEXPHCVGNZSMI-AWEZNQCLSA-N 397.395 -0.486 30 20 GBED COc1ccc(CN2CC[C@H](NC(=O)NCC(=O)NCC#N)C2=O)c(OC)c1 554035409 CBDKHZTXQAKPTO-AWEZNQCLSA-N 389.412 -0.256 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCN3CCCC3=O)n2)c(F)c1 580319549 PFLATMJYDSPUNK-UHFFFAOYSA-N 384.371 0.560 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 646955291 SZQAEWJZOWCCKD-KRWDZBQOSA-N 387.436 -0.083 30 20 GBED COc1ccc(S(=O)(=O)N(CC#N)CC(=O)O)cc1[C@]1(C)NC(=O)NC1=O 738057563 DWMJJFDMTZFNAF-HNNXBMFYSA-N 396.381 -0.651 30 20 GBED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 756743886 ADSISFQMAZZEBU-NEPJUHHUSA-N 385.446 -0.362 30 20 GBED CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)NCCNc1ncccc1C#N 787775623 AFBDFNKAVXDJHP-UHFFFAOYSA-N 381.458 -0.237 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2c(C)cnn2C)c1=O 795197677 PTLBSILYDBGVKV-UHFFFAOYSA-N 383.477 -0.140 30 20 GBED COC[C@](C)(C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 821680142 AHBBWWYIASVQIP-BMIGLBTASA-N 393.429 -0.422 30 20 GBED COc1ccc([C@@]2(C)NC(=O)N(N=Cc3cn(C)c(=O)n(C)c3=O)C2=O)cc1 839397826 IIYRHJOPARUVQJ-GOSISDBHSA-N 385.380 -0.106 30 20 GBED O=C(N[C@H]1CCCN(O)C1=O)c1ccc(C(=O)N[C@@H]2CCCN(O)C2=O)o1 848136531 OHFOKEGGSOMFKZ-AOOOYVTPSA-N 380.357 -0.500 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1)[C@H]1CCCO1 848963080 IVRDPLGJFFCNBA-GHMZBOCLSA-N 377.448 -0.963 30 20 GBED COCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 916891796 FKTCOELNOKWCMI-ORAYPTAESA-N 384.392 -0.149 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C[C@@H]2O)nn1 963309405 DKDZZZDZMWUNFB-JXFSHQFZSA-N 385.428 -0.697 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccoc2CC(N)=O)C[C@@H]1O 964477052 UTTJCPXWDQMGMP-LOUJCGABSA-N 391.424 -0.410 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 968726527 QJZVKDGEBCQRPK-KBXIAJHMSA-N 380.445 -0.929 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2CCNC(=O)C2)nc1 1004919985 NBUWOELYRHTNQT-OIISXLGYSA-N 381.436 -0.644 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)nn1 1025060003 CQZJKGMNDHDCCI-BRXULGCHSA-N 385.428 -0.697 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H]2CN(C(=O)[C@@]34COC[C@@H]3C4)C[C@]2(C)C1 1101244629 ZEEPDWXSBSATPL-FTUNRGFVSA-N 376.457 -0.185 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC(=O)NCC)nn1 1109813897 AMTXIUHQGSGPPZ-DYEKYZERSA-N 375.433 -0.355 30 20 GBED C#CCN(C(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)C1CCCCC1 1117908410 YNGLAIOCQAVPFC-UHFFFAOYSA-N 387.444 -0.862 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2ccc(C(=O)N(C)C)cc2)CC1 1321476665 YICSOXJRWWXGAX-UHFFFAOYSA-N 398.463 -0.007 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCN(C(N)=O)CC3)CC2)o1 1324184640 WQMSQFQLBKQSHB-UHFFFAOYSA-N 375.433 -0.410 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCCn2cc(CO)nn2)cc1 1324602987 JBZWWCFJZJSXSB-UHFFFAOYSA-N 386.412 -0.169 30 20 GBED CS(=O)(=O)NCCNC(=O)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 1341896970 AHDLMRDUPKINAN-GJZGRUSLSA-N 378.454 -0.050 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)[C@H]1CCCO1 1347565201 IRMNJEHQXIJOFR-BXTJHSDWSA-N 398.419 -0.346 30 20 GBED N#C[C@@H](C(=O)NC1CCCC1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1524677666 LWOBPKWJCKJRKD-CHWSQXEVSA-N 394.453 -0.080 30 20 GBED Cc1ccc(-c2nn[nH]n2)c(N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 1571140335 PVUPADNPNAPBME-KGLIPLIRSA-N 379.384 -0.251 30 20 GBED C#CCNC(=O)CC(=O)N1CCC[C@H](CNC(=O)CCOCc2cnn[nH]2)C1 1575005016 RXGQVSDKJCVLMH-CQSZACIVSA-N 390.444 -0.794 30 20 GBED C=CCn1cc(C(=O)N[C@@]2(C)CCN(C(=O)[C@H](C)OCc3cnn[nH]3)C2)nn1 1575112134 PLBJMWQJHOZVNR-SJCJKPOMSA-N 388.432 -0.092 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)CCO2)c1 1581862840 OLDUHALNNZEKLU-LLVKDONJSA-N 380.372 -0.508 30 20 GBED N#Cc1nccnc1N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1581885860 PJKSJBGYFWTUOC-NSHDSACASA-N 380.372 -0.508 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@]1(C)CN(c2ccc(-c3nn[nH]n3)nn2)CCO1 1588356547 DGGOKERQVCGFOO-YVEFUNNKSA-N 386.416 -0.594 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O 1588357634 OAPIMTLTGBPFFZ-UHTWSYAYSA-N 376.442 -0.372 30 20 GBED C#Cc1ccccc1CC(=O)NC[C@@H](O)CN=c1cc[nH]c(-c2nn[nH]n2)n1 1588376940 NDBHRWVZJKDQRQ-AWEZNQCLSA-N 378.396 -0.808 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@H](S(N)(=O)=O)C1 1592666511 ZKQFHCOLJQGWPT-STQMWFEESA-N 375.414 -0.562 30 20 GBED N#CCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[nH]n2)CC1 1592677874 KMCGDWRUNONBPD-UHFFFAOYSA-N 378.374 -0.395 30 20 GBED C#CCOCCC(=O)N[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@@H]1O 1602729452 SBADBEKTUUFBFT-BDAKNGLRSA-N 397.848 -0.318 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2C)CC1 1609021151 HARARRQDZCHCDT-UHFFFAOYSA-N 375.458 -0.240 30 20 GBED Cc1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1612609364 ZZYGHDXNIAKNCN-CYBMUJFWSA-N 386.503 -0.306 30 20 GBED N#Cc1cn(CC(=O)NCC2(N3CCCCC3)CCOCC2)c(=O)nc1O 1615358134 UAEMHKDUJHWNTK-UHFFFAOYSA-N 375.429 -0.028 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)C1 1627463670 DRINYCIJAKHNRI-DZGCQCFKSA-N 387.845 -0.144 30 20 GBED N#Cc1cn(CCC(=O)NC2CCN(C[C@H]3CCOC3)CC2)c(=O)nc1O 1629500256 JPJHAJLRGIKPSA-CYBMUJFWSA-N 375.429 -0.172 30 20 GBED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(C)C(=O)C(=O)O)C1 1781542852 YPYCRABSIDXPFP-FZKQIMNGSA-N 381.429 -0.381 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(O)nn1)C2 1782011305 YQRPVPCWARQKHN-FZKQIMNGSA-N 388.380 -0.602 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(CO)o1)C2 1782013527 RXZPZOBMSGUDKX-DNVCBOLYSA-N 390.392 -0.013 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCNC(=O)C2)C1 1782273589 HTPADIHALGOVAE-PJIJBLCYSA-N 391.424 -0.886 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H]3NC(=O)NC3=O)[C@H]2C1 1785154197 CKBUHZFVAHUUDD-LXFSFDBISA-N 392.456 -0.224 30 20 GBED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O)C(F)(F)F 1795637742 QAIBOYQURJCLKP-LSCVPOLPSA-N 392.378 -0.713 30 20 GBED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1796300906 DAFBNFDTFNXPLD-XFMPKHEZSA-N 396.444 -0.625 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)ccn1C 1798526324 OXNAPVLVIFVELK-AFIMGQEJSA-N 387.436 -0.373 30 20 GBED C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2)N1CCN(C)CC1 1799968328 NPDVMNMJUHFTDU-LVQVYYBASA-N 376.457 -0.652 30 20 GBED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(N)=O)cc1 1800516289 YXHKBUUYUPLLIJ-CWPLJXCYSA-N 384.436 -0.044 30 20 GBED Nc1ccccc1/C=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800775958 OCDOBUATUJFJNC-HFTYUIQFSA-N 383.404 -0.040 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1 1802912831 FDERJUQMIUQAQG-DEUPEYTOSA-N 388.424 -0.744 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)Cn2nccn2)[C@H]1c1cccnc1 1812880097 MXJITRKNINKMFN-KSSFIOAISA-N 382.380 -0.533 30 20 GBED CN(C)C(=O)NCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1814566599 JBCKVAZSNGWQLO-LBPRGKRZSA-N 390.400 -0.239 30 20 GBED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1826013865 WWSMJHKQPDYFFT-ACLDMZEESA-N 397.482 -0.029 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CS(C)(=O)=O)C3)C2)C1 1829665113 SYXRUZNBBFVQLQ-QGZVFWFLSA-N 386.470 -0.546 30 20 GBED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)C1(O)CCC1 1829746763 SIVAUMSCYUNLTO-KSSFIOAISA-N 394.424 -0.918 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1830064619 OVQFOBVSYSDTOS-AUUYWEPGSA-N 392.456 -0.481 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CC(N)=O)CCO2 1831597915 NDSPAQKCGPLOQO-RDTXWAMCSA-N 399.513 -0.127 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1 1833223717 IGWFEMBYRZFEOP-UHFFFAOYSA-N 397.472 -0.622 30 20 GBED CC[C@@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)CC#N)CC2)CC1 1835055516 XRMWBXZKFGDZDE-OAHLLOKOSA-N 378.477 -0.081 30 20 GBED N#CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCNC(=O)C3)CC2)CC1 1836563450 MIOPIZLLSPTWDP-CQSZACIVSA-N 375.473 -0.002 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1840842171 RMFNPCUVWPPJPV-IBGZPJMESA-N 398.423 -0.392 30 20 GBED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)CC[C@@H](N)C(N)=O)C2 1846979176 TYWMGZMDMWPJTH-OAHLLOKOSA-N 399.451 -0.267 30 20 GBED COC(=O)c1cc(C#N)c(=O)n(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)c1 31806878 DKCAFSCLTNQRGY-UHFFFAOYSA-N 385.336 -0.843 30 20 GBED Cn1c(Sc2nnnn2-c2ccc3c(c2)OCCO3)c(C#N)c(=O)n(C)c1=O 265356798 VIXAKDWAYFKYTE-UHFFFAOYSA-N 399.392 -0.146 30 20 GBED CCCn1c(=O)/c(=C/c2c(C)cnn2C)s/c1=C(/C#N)C(=O)NCCOC 285325514 XTFISBKYMRJKDT-QUZCUARASA-N 389.481 -0.373 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[S@@](=O)C(C)(C)CC1 349464527 JUFNEYGHMLBYJE-JOCHJYFZSA-N 399.560 -0.276 30 20 GBED C[C@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncccc1C#N 349471062 DEPAIVHIUOUYMI-LLVKDONJSA-N 376.460 -0.273 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2COCCN2CC(F)(F)F)CC1 367388228 OBQSXFHDSWYWOH-CQSZACIVSA-N 390.406 -0.467 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)C1=O 378321355 SPKGIUPHUZWYIY-HUUCEWRRSA-N 391.472 -0.552 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCO[C@H](CN)C3)CC2)c(F)c1 423218228 UEUIWTFUBUSYSX-CQSZACIVSA-N 375.404 -0.468 30 20 GBED C=CCn1c(COCC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 508888770 PJUKDZCIWZNZPQ-UHFFFAOYSA-N 392.460 -0.492 30 20 GBED C=CCCOCCNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 534550799 SOUUXONIBHWQND-UHFFFAOYSA-N 379.417 -0.611 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3nnc4n3CCCC4)CC2)c1 560259024 YZIKVGPUWKOPAB-UHFFFAOYSA-N 394.439 -0.154 30 20 GBED CCN1CCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)[C@H](C)C1=O 563156380 ZOMOEEXAPVPYFJ-CQSZACIVSA-N 384.440 -0.319 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2COC[C@H]2O)cc1 566487456 SOUCXTXRJAIZTD-ZLKJLUDKSA-N 389.455 -0.743 30 20 GBED CC(C)N1C(=O)C[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O 570734642 IPDTUKMVBBEKPV-ZDUSSCGKSA-N 378.410 -0.511 30 20 GBED C[C@@H]1CCCN(C(=O)C2CCN(C(=O)Cn3c(=O)[nH]cc(C#N)c3=O)CC2)C1 580893367 WUFLIZBCVJHLHR-CYBMUJFWSA-N 387.440 -0.095 30 20 GBED CN(C)S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 590742210 RDLDHOUJYOQUFJ-UHFFFAOYSA-N 390.462 -0.049 30 20 GBED N#CC[C@]1(O)CCN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 591929922 BFRZCBFJUCNMDM-HNNXBMFYSA-N 397.413 -0.067 30 20 GBED N#CC1(NS(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H]4[C@@H](CO)[C@@H]4C3)cc2)CC1 594549243 DZVKXLGFXDZIRG-FICVDOATSA-N 397.478 -0.120 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)NCc1cocn1 594637508 CFBXLKHNOCJXJT-GFCCVEGCSA-N 394.500 -0.245 30 20 GBED C=CCCSCCNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 595117402 LRHZOIJDYFCLNG-UHFFFAOYSA-N 395.485 0.106 30 20 GBED C[C@@H](O)CN(C(=O)C(=O)N1CCN(c2ccsc2C#N)CC1)[C@H](C)CO 595168754 DCGVSZDXDGAQBQ-CHWSQXEVSA-N 380.470 -0.141 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 596749778 SVMMGGIMSMALDO-ZIAGYGMSSA-N 379.442 -0.403 30 20 GBED C=CCn1cc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)nn1 648730225 MRUHOIUOOYGJRO-KBPBESRZSA-N 398.489 -0.424 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](CCC(N)=O)C2)c1=O 727167414 OAOXFBVNXBSCJZ-CQSZACIVSA-N 377.445 -0.521 30 20 GBED CN(C)S(=O)(=O)CCCOC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 731917566 IWWZMQCQFOUAMJ-UHFFFAOYSA-N 389.455 -0.450 30 20 GBED N#Cc1cccc(CNC(=O)COC(=O)CCn2cc(S(N)(=O)=O)cn2)c1 749326067 TUGYPDBRUSGXSX-UHFFFAOYSA-N 391.409 -0.348 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OCC)n(C)c2)CC1 760556150 ZSUUTGNWRJLHBU-UHFFFAOYSA-N 396.469 -0.743 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)oc2CC)CC1 778620632 PGJXTHCBFQFSGG-UHFFFAOYSA-N 397.453 -0.316 30 20 GBED C[C@H](OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)NC1(C#N)CCC1 787581145 GGYLJTQEXIJIOD-NSHDSACASA-N 378.410 -0.022 30 20 GBED COC(=O)[C@H](CS(=O)(=O)CC(=O)NCc1cccc(C#N)c1)NC(C)=O 790622682 BKOSQTDGGFUAEF-AWEZNQCLSA-N 381.410 -0.733 30 20 GBED CC1(C)NC(=O)N(CCCC(=O)NS(=O)(=O)c2cncc(C#N)c2)C1=O 813981346 MNRGUZSBJFMYOC-UHFFFAOYSA-N 379.398 -0.131 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@](O)(/C=C/OCC)C(F)(F)F)C1=O 848191473 SYWYVYZSEINWPM-HZRUHFOJSA-N 393.318 -0.077 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@]2(C)C1 992971615 WMBAPEGWQCJZRO-JTOWHCCKSA-N 382.482 -0.071 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)c3nccnc3C(N)=O)C[C@H]21 1022750679 NUQBLVXDEMIBIT-DGAVXFQQSA-N 385.424 -0.161 30 20 GBED C=CCN1CC[C@@H](N2C[C@H]3[C@H](NC(=O)[C@@H]4OC[C@@H]5COCC[C@@H]54)[C@H]3C2)C1=O 1025919961 FYKWDPLPMVGJDC-PDQWNOJRSA-N 375.469 -0.129 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 1109473964 LQZSAPYURLMBIT-FZKCQIBNSA-N 375.473 -0.004 30 20 GBED CC1CCN(C[C@@H](C)NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1118683191 QQYHIIKZPWOXOV-UPTRSRDDSA-N 391.472 -0.134 30 20 GBED C=CCSCCNC(=O)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 1119069838 CWGAOOUHLUNKER-UHFFFAOYSA-N 392.547 -0.247 30 20 GBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCO[C@H]2C(=C)C)C[C@@H]1n1ccnn1 1130037954 DSDYUMCGACJCSH-DFGXFYAUSA-N 388.472 -0.097 30 20 GBED Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)cn1 1298819566 XWQXBYKKQLCOOH-GXTWGEPZSA-N 391.457 -0.158 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)NCCS(=O)(=O)NC(C)C 1321975384 PACZOSAFZTYEHE-UHFFFAOYSA-N 381.454 -0.241 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1)[C@@H]1CCCO1 1323588134 RSJUSWHAVSCWAX-OBJOEFQTSA-N 375.385 -0.865 30 20 GBED COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 1326561298 MDRNUZQSXKDRHY-LSDHHAIUSA-N 393.444 -0.084 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCCO1 1327731360 KHUGCGXGWXYVNW-HZPDHXFCSA-N 393.465 -0.150 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)CCN1C1CC1 1329271484 BTVZXVVDUKEIMR-DLBZAZTESA-N 375.473 -0.492 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)Cc2nncn2C)cc1 1330027704 QPYAFQOSQKTZFW-NSHDSACASA-N 398.470 -0.174 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)CCN1C1CC1 1330435864 KQRKQQZDTYAKBQ-UXLLHSPISA-N 395.463 -0.007 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CCN)CCN1C1CC1 1330452481 JUGDIHKBYLLSJY-HZPDHXFCSA-N 390.488 -0.969 30 20 GBED N#C[C@@H](C(=O)Cn1c(=O)cnc2ccccc21)C(=O)N1CCS(=O)(=O)CC1 1341886730 UTXKUKYNBGKHRK-LBPRGKRZSA-N 388.405 -0.638 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@H]4OCC(=O)N[C@@H]4C3)C2=O)cc1 1470033831 SWBFNUCGZRRQMO-BRWVUGGUSA-N 397.435 -0.042 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@H](CO)NCc1cc(F)ccc1-c1nn[nH]n1 1573309211 FBTNWWOXWQQKHB-CXAGYDPISA-N 378.408 -0.100 30 20 GBED C=CCCOCC(=O)N[C@H]1CCCN(C(=O)CC(=O)NCc2cnn[nH]2)CC1 1575100578 SLEMXQMYLOHTTN-AWEZNQCLSA-N 392.460 -0.099 30 20 GBED C[C@H](OCc1cnn[nH]1)C(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCCO1 1575862513 LCKXWNROAKJIKB-SWLSCSKDSA-N 386.416 -0.217 30 20 GBED N#Cc1nccnc1NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1581885622 IBDDRPLAISGWKY-LLVKDONJSA-N 380.372 -0.190 30 20 GBED C=CCCOCC(=O)NC1(CO)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 1588617118 QVMKEZXFJJOHLM-UHFFFAOYSA-N 388.432 -0.303 30 20 GBED COCCN(CCC#N)C(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1591422484 LBDQYRFXHATTMX-UHFFFAOYSA-N 393.429 -0.466 30 20 GBED C=C(CNC(=O)[C@@H]1CC[C@H](C(=O)O)O1)CNC(=O)[C@H]1CC[C@@H](C(=O)OC)O1 1602788347 HNYCZYIRNATUDF-LOWDOPEQSA-N 384.385 -0.872 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)c2snc(C)c2-c2nn[nH]n2)C1=O 1602863230 SEQKEACMTCXGGH-UHFFFAOYSA-N 390.385 -0.429 30 20 GBED N#Cc1cn(CCNC(=O)CCN2C(=O)COc3ccccc32)c(=O)nc1O 1633550638 WBYMGNOBEVMZIC-UHFFFAOYSA-N 383.364 -0.248 30 20 GBED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1ncon1)CCO2 1779020298 JJLMZOAWCBYIPI-OXNWSPOFSA-N 376.417 -0.015 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1781271904 RIRMHNXNFNXCKZ-GOSISDBHSA-N 397.428 -0.318 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781272153 XHKNECAKYPRUII-GOSISDBHSA-N 378.381 -0.586 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1781395936 FMUCIEDSQRIKGR-PXAZEXFGSA-N 379.417 -0.507 30 20 GBED O=C(C#CC1CC1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782951716 CSDGKDCEKAYTMB-MAUKXSAKSA-N 380.466 -0.193 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2 1783564790 MNZPLJQCHSTHAQ-SKTBVBMLSA-N 393.396 -0.567 30 20 GBED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1783886213 NXPRPAOMKCNXGU-IAQYHMDHSA-N 383.430 -0.061 30 20 GBED CN1CCC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1789745232 QHCFEMVGEUDPPZ-VGWMRTNUSA-N 377.441 -0.604 30 20 GBED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21)[C@H]1CCCS1(=O)=O 1790745432 RBLLUNKYVMCQQL-LUKYLMHMSA-N 394.493 -0.043 30 20 GBED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC)NC(C)=O)C[C@@H]21 1792172681 CXSHYPQMWMUYCY-QAETUUGQSA-N 379.457 -0.469 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])o1 1792356817 JGSXALOCOFTSIJ-KEODLESXSA-N 377.309 -0.521 30 20 GBED Cn1nncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598185 FMWCUUYGWPUGTD-AGGWBTHJSA-N 389.460 -0.700 30 20 GBED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1835098987 WCGBHCCQJMWAOJ-HXUWFJFHSA-N 395.419 -0.074 30 20 GBED COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](C)S)CCO3)C2)CC1 1840164520 MHUVTGRUPFLMNV-MLGOLLRUSA-N 386.470 -0.286 30 20 GBED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1840294359 FGHQUOZYURKLLW-LJQANCHMSA-N 382.457 -0.355 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O 1848030374 SWAASUJWAIWOJZ-RWMBFGLXSA-N 378.429 -0.687 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 282750329 UQEPIVRMTUSQFM-AWEZNQCLSA-N 395.489 -0.559 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCN2CCC[C@H]2C(N)=O)cc1 290718769 HCRZDPYUEVPRQC-HNNXBMFYSA-N 393.469 -0.707 30 20 GBED N#CC1CN(S(=O)(=O)CCCCS(=O)(=O)N=c2cc[nH]cc2F)C1 349605655 VKFGBCLLZDEMPK-UHFFFAOYSA-N 376.435 -0.050 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)C1=O 410110550 UQPYJLXVWRPAMB-ZDUSSCGKSA-N 383.474 -0.358 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCO[C@H](CN)C3)C2)c(F)c1 418857797 UCCFHVKBNMQSCB-HUUCEWRRSA-N 389.431 -0.032 30 20 GBED CC#CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 440708908 ANYUKAGMCAAQDG-UHFFFAOYSA-N 392.437 -0.725 30 20 GBED COCCNC(=O)Cn1cc(NC(=O)C(=O)NCC#Cc2ccccc2)cn1 475718455 YXJYJEXKYHZVMF-UHFFFAOYSA-N 383.408 -0.248 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CCO1 510657041 IPJXJDWRBBEKMJ-VXGBXAGGSA-N 378.476 -0.998 30 20 GBED Cc1c(C(=O)NC[C@H]2CCCN(CC#N)C2)cnc2c1c(=O)n(C)c(=O)n2C 532688224 NGOJWDPFIRBKTD-CYBMUJFWSA-N 384.440 -0.094 30 20 GBED CN(C)C[C@@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 558898609 HSTVFGCUDOBGND-QGZVFWFLSA-N 393.469 -0.619 30 20 GBED C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N)C(C)(C)O 594637538 NTFOWHVPCNMXNN-SNVBAGLBSA-N 393.491 -0.498 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)CC1 595158883 MJZGCALGTSASMT-NSHDSACASA-N 397.482 -0.842 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H](C(=O)O)C1CCC1 596130552 RJHXNLCCYUPCET-GFCCVEGCSA-N 376.417 -0.128 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCc2c(C)nc3nc(N)nn3c2C)CC1 728533323 GJQDMTUOUOSCAB-UHFFFAOYSA-N 398.471 -0.850 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc3c2COC3=O)CC1 728589622 JDMVWLDHSYEOIL-UHFFFAOYSA-N 377.422 -0.587 30 20 GBED C[C@H](NC(=O)CON=C(N)c1ccc(CN2CCOCC2)cc1)C(=O)N(C)C 762725061 NACXPDBGCODPSR-AWEZNQCLSA-N 391.472 -0.251 30 20 GBED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CN(C)NC1=O 777770892 CBHQQHSOTBOKOC-STQMWFEESA-N 393.469 -0.255 30 20 GBED COc1cccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)n1 790430845 YRCLRBCTNBZLJO-UHFFFAOYSA-N 390.446 -0.615 30 20 GBED C#CCCS(=O)(=O)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 810786370 GIRCHYHERKYWKJ-LLVKDONJSA-N 383.451 -0.027 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)C1=O 819546726 BHMQOVCRXBTHJK-LLVKDONJSA-N 398.416 -0.693 30 20 GBED C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1CC(=O)N[C@@](C)(C#N)C1CC1 820788926 RKFJLEFDDAFAML-XIKOKIGWSA-N 396.459 -0.024 30 20 GBED CCn1ncc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 842053333 RSTNZFMPZCPUAE-UHFFFAOYSA-N 377.382 -0.126 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)CCO2 965435161 LTXLQONDJSMDNM-SGYMCOKNSA-N 399.491 -0.053 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2nnn(C(C)(C)C)n2)C[C@@H]1O 970707142 TZXDXWZNTCGVMP-MQYQWHSLSA-N 392.460 -0.750 30 20 GBED CCO[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CN=c1cc[nH]c(C#N)n1 1047945887 SIPJTSODWINAQD-XJFOESAGSA-N 388.428 -0.922 30 20 GBED C#CCO[C@H](C)C(=O)N1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1073583129 NMRLPSXRKMCLJQ-MATIZBOZSA-N 387.480 -0.197 30 20 GBED C=CCN(CC=C)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C 1215527625 KAXPNORHQISHAH-LVQVYYBASA-N 378.473 -0.344 30 20 GBED CN(C)C(=O)CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1323375139 IYWZNKYFJYBEDO-OAHLLOKOSA-N 385.424 -0.630 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)nn1 1331445450 VUSKAOGUGGHLGG-UHFFFAOYSA-N 375.477 -0.681 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)CC1 1342763925 FGIGNXUIGQXIHG-INIZCTEOSA-N 396.447 -0.104 30 20 GBED C#CCN1CCC[C@H]1c1nnc(N2CCN(CCOC)C(=O)C2)n1CCOC 1345561234 UEUPLTPXYNKKGY-INIZCTEOSA-N 390.488 -0.010 30 20 GBED C#C[C@H](NC(=O)C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1)[C@@H]1CCCO1 1347268977 JCWVARKVYZXBSK-GJZGRUSLSA-N 399.513 -0.008 30 20 GBED C=C(C)Cn1c(CN2CCC[C@H](O)C2)nnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1515514741 MSWSTJGRTZWKRZ-SOUVJXGZSA-N 388.472 -0.138 30 20 GBED N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2COCCO2)CCO1 1521122722 XRMXSZLLGBKVGB-KGLIPLIRSA-N 376.417 -0.342 30 20 GBED C#CCN(CC#C)c1nnc([C@H]2COCCN2)n1C[C@H]1CCS(=O)(=O)C1 1574621976 GPPQJWGSPNXWSX-HUUCEWRRSA-N 377.470 -0.554 30 20 GBED N#Cc1cc(C(=O)N2CCO[C@H](CNc3nccnc3-c3nn[nH]n3)C2)c[nH]1 1581864312 QPMWLCJTGRTOEP-GFCCVEGCSA-N 380.372 -0.190 30 20 GBED C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 1588349983 WZQYHLOZYFXLEL-AWEZNQCLSA-N 395.466 -0.181 30 20 GBED C#CCNC(=O)[C@@H](C)NC[C@@H](C1CC1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588353048 FDFZGSLVBRAIJG-ABAIWWIYSA-N 384.444 -0.227 30 20 GBED C#CC[C@H](NC(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)O 1588405727 SMDJSRHHSFIQIQ-LBPRGKRZSA-N 384.410 -0.035 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)c(-c3nn[nH]n3)cn2)C1=O 1588655169 XKYWRDSQUXTFBN-GFCCVEGCSA-N 384.400 -0.246 30 20 GBED C=CCn1cc(C(=O)N2CC[C@@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)[C@H]2C)nn1 1588711919 YFOHRRTYHNVFSJ-GHMZBOCLSA-N 381.404 -0.429 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC[C@H]3CC(=O)O)CC2)o1 1610551684 RGDYXBYVCMVTOF-CYBMUJFWSA-N 377.401 -0.321 30 20 GBED N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1712884602 PCBSVBKLHMUNOS-MGPQQGTHSA-N 381.458 -0.055 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)CC34CCCN3CCC4)C2)C1 1781134470 JQFSFNNVVVYXED-FQEVSTJZSA-N 389.452 -0.077 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1 1781320499 JYQIDROEMWQQEP-GOSISDBHSA-N 384.429 -0.665 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21 1788573012 MACPVCGFMSQQLS-XDQVBPFNSA-N 381.477 -0.978 30 20 GBED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]2C1 1791311283 ZGHIMKFFCURFRC-DCAQKATOSA-N 376.335 -0.442 30 20 GBED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 1795285351 YTLZPPJFAXEENS-KRXQYRFLSA-N 379.457 -0.163 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CO)c(F)c1)C2 1800778569 IGKYDQMHONRUCS-ZSBFGKGUSA-N 390.367 -0.391 30 20 GBED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN)C2 1802126214 DRYYFGFKEUUJFM-HLPPOEQASA-N 394.472 -0.549 30 20 GBED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1 1810278244 CMNDAUCUBALTLY-KBPCKRCHSA-N 389.456 -0.130 30 20 GBED C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1810533914 SLCKBJHSEPDOGL-FRIZHTMISA-N 398.419 -0.134 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1830056206 RLDZCFRUFYDOAG-KRWDZBQOSA-N 376.417 -0.716 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)CC1 1831014387 KACJXWGDEQYIJA-GOSISDBHSA-N 392.412 -0.801 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccn(C)c1=O)CCO2 1831895929 ZFXWBVRPNFVFBS-FQEVSTJZSA-N 387.436 -0.131 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1834758727 VRUJXTZBUZLUSN-SFHVURJKSA-N 384.396 -0.058 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1840841667 NVIUTHZKUQPSHW-FQEVSTJZSA-N 387.436 -0.282 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)Cn3nnn(-c4ccccc4)c3=O)CC2)o1 31529921 ZHFNTOIEJIDJAQ-UHFFFAOYSA-N 394.395 -0.054 30 20 GBED C/N=C(/NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC[C@@H]1CCS(=O)(=O)C1 261811861 SRKUVENMLMDOBO-YYFQZIEXSA-N 394.497 -0.607 30 20 GBED CNC(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 268947275 WUFBSWVWOTZTGE-GFCCVEGCSA-N 379.442 -0.291 30 20 GBED C=CCN/C(N)=N/CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 271550836 SBAOEYCIRDAFHQ-UHFFFAOYSA-N 390.487 -0.119 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)OC)c1 275683886 XCRNXOKUKASMSK-HUUCEWRRSA-N 380.422 -0.263 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1)c1cc[nH]n1 277935421 IHOMVNUUAPGHFY-ZHEHSZEJSA-N 381.433 -0.081 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCN2CCCO[C@H](C)C2)C1=O 288024095 CHRAWIWAJBQYKZ-CVEARBPZSA-N 380.489 -0.151 30 20 GBED CCn1c(=O)/c(=C\c2cnn(C)c2)s/c1=C(/C#N)C(=O)NCCCOC 297843416 UUKJJEHTOWSHLG-IHRRDAEPSA-N 375.454 -0.681 30 20 GBED CN(CC(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N=c1nc[nH]n1C 349501532 UKEQVGUFKJTERO-UHFFFAOYSA-N 378.480 -0.820 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@@H]3CNCCO3)C2=O)cc1 418912072 QVDYSOMSUYEDNU-JKSUJKDBSA-N 385.424 -0.726 30 20 GBED N#Cc1ccc(S(=O)(=O)CCN2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 478428575 NQTRBLGPSJBYGT-UHFFFAOYSA-N 390.465 -0.245 30 20 GBED CN(CC(=O)N[C@@H]1CCCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1 511363955 SEMYPVBMONVUPP-CYBMUJFWSA-N 385.467 -0.128 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)c2nc(CC(=O)OC)cs2)C1=O 513220001 WEUBLSCJEUDWEU-UHFFFAOYSA-N 380.382 -0.202 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)OCO3)c(=O)n1C 546779362 CSXLEDUJLWPIGU-UHFFFAOYSA-N 399.428 -0.011 30 20 GBED COCc1ncc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c(N)n1 594421527 XSIIDKRJUXBISM-UHFFFAOYSA-N 390.425 -0.328 30 20 GBED C[C@H](CC(=O)NCCN1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 742469580 DBCCGTUEBJTSNU-CYBMUJFWSA-N 380.470 -0.048 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)CCc2ccc3c(c2)CCO3)CC1 770256185 GUXABYNRAQJAMR-UHFFFAOYSA-N 391.493 -0.139 30 20 GBED Cn1cc([C@@H]2CN(C(=O)C(=O)NCCNc3ncccc3C#N)C[C@H]2N)cn1 818663343 IZYUVVXOHBVWNP-LSDHHAIUSA-N 382.428 -0.832 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CCOC[C@H]1C#N 820443859 ABKYLWFWSVBMHF-CMPLNLGQSA-N 391.413 -0.716 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Cn2ccc3ccccc3c2=O)CC1 831574216 BHMRJACBPYEPQX-UHFFFAOYSA-N 388.449 -0.387 30 20 GBED CN(C)S(=O)(=O)N(C)CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 845944860 UEKXZRAJVVSKJI-NEPJUHHUSA-N 389.478 -0.400 30 20 GBED C#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1nc(C)cc(OC)n1 848961883 RPLYQPITBBJZGW-UHFFFAOYSA-N 376.460 -0.180 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)[C@@H](CCC)C(=O)OCC)CC1 881908886 WBOPYEQDZAZWPY-HNNXBMFYSA-N 387.502 -0.195 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(CCOC)c2C)C[C@@H]1O 970706181 DASRIRSMJZNSAH-SIXLDLHFSA-N 392.456 -0.269 30 20 GBED C#CCOc1ncccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1cnnn1 998940274 NQGAXFUXGKKRAW-SNPRPXQTSA-N 381.396 -0.358 30 20 GBED CN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncccc2C#N)C1=O 1055390308 VWEQJLQWKYDHAO-UPJWGTAASA-N 382.380 -0.400 30 20 GBED C#CCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 1070051857 UFAKDNIYEYYFDL-ZJPYXAASSA-N 383.456 -0.055 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC2CCOCC2)C[C@H]1O 1077822073 WXOBJSWQHDBXBJ-LHHMISFZSA-N 381.473 -0.576 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1coc(S(C)(=O)=O)c1 1109307414 JYUHPNRKFWLPFN-RDBSUJKOSA-N 379.438 -0.232 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc(-n2cncn2)nc1 1109579160 GDLDOSVNOTWARK-ILXRZTDVSA-N 380.412 -0.363 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccnc2c1nnn2C 1109646014 FAKODFHAXJHSNB-NEBZKDRISA-N 381.440 -0.164 30 20 GBED CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(OCC#N)cc1 1116713367 YAIUGSKDMNHTTE-OAHLLOKOSA-N 376.413 -0.321 30 20 GBED CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@@H]1n1ccnn1 1129052413 DVTPMLJUGZSAIQ-NYTXWWLZSA-N 375.433 -0.926 30 20 GBED CS(=O)(=O)[C@H]1CCCCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 1322091180 ZUAAIUQVOJTNSZ-AWEZNQCLSA-N 393.469 -0.093 30 20 GBED N#Cc1ncn(CCNc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)n1 1322595604 RJFLKVMDOVTNCL-UHFFFAOYSA-N 375.414 -0.473 30 20 GBED CN1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@](O)(CC#N)C3)cn2)CC1 1326063152 FTVGJUZNTZASAT-LJQANCHMSA-N 386.456 -0.673 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 1328533345 PMJFGZAWPWHZNI-HUUCEWRRSA-N 385.472 -0.062 30 20 GBED C=C(C)Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@]1(O)CCOC1 1343231810 YRNQHXZHWJNBIG-SFHVURJKSA-N 378.477 -0.328 30 20 GBED C=CCNC(=O)CNC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 1344464601 MAPGGBADGOUQKM-QGZVFWFLSA-N 381.454 -0.140 30 20 GBED COCC(C)(C)N1CCN(C(=O)C(=O)N2CCC(C#N)(C(=O)OC)CC2)CC1 1348999293 MTBUKYPJFFYXBS-UHFFFAOYSA-N 394.472 -0.139 30 20 GBED C#CCNC(=O)[C@H](C)N(C)[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573285180 DXAOZYHNAKJREQ-GXTWGEPZSA-N 384.444 -0.131 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1573285854 PKJSXNKDCPVPJM-VXGBXAGGSA-N 398.427 -0.509 30 20 GBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O 1573337359 WHVGNUAFSJZMGQ-CHWSQXEVSA-N 375.389 -0.911 30 20 GBED C#CCO[C@@H](C)C(=O)N(CC)[C@@H]1CCN(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575004945 QIOUCJDKEVANCP-DZGCQCFKSA-N 390.444 -0.701 30 20 GBED C=CCn1cc(C(=O)N(C)[C@H](C)CNC(=O)[C@@H](C)OCc2cnn[nH]2)nn1 1575112815 ZALRJFSJKRGQKN-VXGBXAGGSA-N 376.421 -0.236 30 20 GBED CN(C[C@@H](O)CN(C)c1cnc(-c2nn[nH]n2)cn1)C(=O)c1c[nH]c(C#N)c1 1579028457 ODECQRFRAMSXMY-LBPRGKRZSA-N 382.388 -0.574 30 20 GBED N#Cc1ccc(C(=O)N2CCO[C@H](CN=c3cc[nH]c(-c4nn[nH]n4)n3)C2)[nH]1 1581868524 WLTMYBOFUPXFNY-LLVKDONJSA-N 380.372 -0.769 30 20 GBED C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[nH]n2)c(C)c1 1588349394 CRSYSXINXWTTAL-LBPRGKRZSA-N 395.466 -0.014 30 20 GBED CN(CCOCCNC(=O)c1c[nH]c(C#N)c1)c1ccnc(-c2nn[nH]n2)n1 1591110909 VQPKYEQKGBCDCQ-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED N#CCNC(=O)CN[C@H]1CCCCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1592678247 RZOJENKUPZNDOS-ZDUSSCGKSA-N 385.432 -0.191 30 20 GBED N#Cc1ccc2c(c1)C[C@@H](NC(=O)Cn1cc(-c3nn[nH]n3)c(O)nc1=O)C2 1592697672 MQPDBPJYPUDXKR-LBPRGKRZSA-N 378.352 -0.716 30 20 GBED COc1ccccc1C[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)O 1599707586 OZXGFHGBYKDLJC-UONOGXRCSA-N 383.426 -0.003 30 20 GBED C=CCCOCC(=O)NC[C@H]1COCCN1c1nc(C)cc(-c2nn[nH]n2)n1 1602844921 UMNCATIULTXGQS-ZDUSSCGKSA-N 388.432 -0.121 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)[C@]3(C#N)CCCOC3)CC2)c1-c1nn[nH]n1 1606109316 BLCJRSHPBVRZKL-KRWDZBQOSA-N 385.432 -0.122 30 20 GBED COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1749844974 PHMGIGUILSYQDX-OLZOCXBDSA-N 386.478 -0.147 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]2C1 1783674501 VGJUREWNJOMAAQ-UGUYLWEFSA-N 396.488 -0.172 30 20 GBED Nc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cs1 1786912685 HLLLWSYQIMNPRN-NHCYSSNCSA-N 378.410 -0.593 30 20 GBED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)CN)C[C@@H]32)c1 1790224471 IKXRLNSMFOKIMR-CSFVBSKPSA-N 389.431 -0.423 30 20 GBED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](O)N2CCOCC2)C3)C1 1792441191 KZXHLHUGYQYVGN-KYHPRHEASA-N 379.457 -0.807 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cccnc13)C2 1793344406 NLRFOJAIIHPAQA-PNBKFKSVSA-N 397.435 -0.029 30 20 GBED N=C(N)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798494739 KDSHJAFSTRVSQR-RPVACHEYSA-N 380.449 -0.363 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2 1800453258 BZEONHCUSUBCNZ-FQLMCAECSA-N 395.456 -0.515 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cncnc4)CCO3)C2)CC1 1833117020 STWZSDSKXIHVTM-LJQANCHMSA-N 385.424 -0.221 30 20 GBED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cn1 1833998592 LWNQXHRPCLPEOM-LJQANCHMSA-N 387.392 -0.452 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncccn3)CCO2)C1 1834287778 DTCRVPJCLNPORA-HNAYVOBHSA-N 388.424 -0.415 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCO2 1839670298 BSNLGIPGECBWEJ-SFHVURJKSA-N 392.412 -0.407 30 20 GBED Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cn1 1840462765 QYQWHMYSOMFIAB-LJQANCHMSA-N 389.456 -0.031 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)CCc2nc(N)n[nH]2)C1 1844182885 KVVWJBFFCHDNCQ-UHFFFAOYSA-N 388.476 -0.195 30 20 GBED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccc3c(c2)CCO3)c1=O 255332646 YKJXANMLRDUGFO-UHFFFAOYSA-N 380.429 -0.040 30 20 GBED COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN3CCOC[C@@H]3C#N)C2=O)c1 266881646 XPFKSRDZCWLPPN-SCLBCKFNSA-N 387.396 -0.282 30 20 GBED CC(C)(C)OC(=O)N1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)[C@@H](C#N)C1 281450085 FDBCAVXELJXGNZ-NSHDSACASA-N 398.445 -0.498 30 20 GBED Cn1ccc(N2CCC[C@@H](/N=C(/O)N3CCc4c(ncn(C)c4=O)C3)C2=O)n1 330059197 KOCDUFSHYVJOAU-CYBMUJFWSA-N 385.428 -0.019 30 20 GBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC(C(=O)OC)CC1 330865727 XKLVXYRNXRYJGZ-ZDUSSCGKSA-N 380.488 -0.209 30 20 GBED N#C[C@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccnnc2)C1 349485722 AZHHAFKUVKWHRP-GFCCVEGCSA-N 377.423 -0.124 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCCn2ncnc21 349514701 AHAAWJWAFUGYTB-LBPRGKRZSA-N 390.491 -0.228 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2CO)nc1 349518289 NQNBIZKMDOPVBJ-CYBMUJFWSA-N 388.471 -0.128 30 20 GBED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@@H](C(N)=O)C2)CC1 367644632 LNCGZSZLDXKSPN-IAGOWNOFSA-N 389.431 -0.279 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)COc1ccc(C#N)cc1)C2 372795813 OSIKIMHVBBUZHH-UHFFFAOYSA-N 384.396 -0.574 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC(O)(CC#N)C2)c1 506382057 RHLWAGHJMGWTNT-UHFFFAOYSA-N 382.442 -0.634 30 20 GBED NC(=O)N1CCN2C(=O)N(CC#CCN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]2C1 530106738 NTHHDULKFIBXDC-AWEZNQCLSA-N 395.375 -0.687 30 20 GBED C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(=O)NCC#N)cc2)C[C@@H](C)O1 557723389 ILEHZICDUVJTSB-CHWSQXEVSA-N 394.453 -0.146 30 20 GBED C=CCN(CCC#N)C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 559956168 JKSWFUVOKNOXKJ-UHFFFAOYSA-N 387.444 0.547 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2F)c(=O)n1C 571289866 INOIKEBLHVHUTC-UHFFFAOYSA-N 391.424 -0.140 30 20 GBED N#C[C@H]1COCCN1C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1 594305843 OKAPROVRXOKNSS-YDHLFZDLSA-N 383.401 -0.299 30 20 GBED CN(CCOCCN)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 599944820 XZGPKCZUFIWQDG-INIZCTEOSA-N 387.440 -0.791 30 20 GBED N#CCN1CCN(C(=O)CS(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)CC1 737697186 XSGYYWIGVZHLOT-UHFFFAOYSA-N 389.441 -0.551 30 20 GBED CCN1CCN(CC(=O)NS(=O)(=O)Cc2cccc(C#N)c2)C(=O)C1=O 750421279 RHILJZSVZUIOMW-UHFFFAOYSA-N 378.410 -0.805 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N1CCOCC1 766348056 BBGUAJXVSQIIJG-GFCCVEGCSA-N 381.410 -0.373 30 20 GBED CCN(CCC#N)C(=O)COC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 789116999 IRFXDVVQQFGZRQ-QGZVFWFLSA-N 394.428 -0.093 30 20 GBED N#CCCNC(=O)CN1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 795180490 ZVCASNRPKOLDNR-UHFFFAOYSA-N 392.441 -0.395 30 20 GBED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(C)cnn2C)c1=O 795188123 UOCUXFOJKAIBNE-UHFFFAOYSA-N 389.481 -0.374 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)CCO1 810090656 URLIHANSSQFJAH-WDEREUQCSA-N 384.380 -0.154 30 20 GBED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CN1CCCS1(=O)=O 816129260 POYUYEYEHUIMPI-UHFFFAOYSA-N 388.383 -0.693 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C(=O)O)C1CCOCC1 826560431 QCTLATKNYQGZBT-AWEZNQCLSA-N 381.410 -0.279 30 20 GBED C#CC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)OC 841541986 ZFSHZTZNUOOZFJ-AWEZNQCLSA-N 386.451 -0.030 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)c1ccc(N)c(OCC(=O)N(C)C)c1 860091888 HFRZQXJENAODSI-UHFFFAOYSA-N 378.385 -0.096 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 963614529 BFZSSYDXKIABQX-ATGSNQNLSA-N 376.413 -0.604 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCN(C)[C@@H]3CC)C[C@H]2O)nn1 1023921355 AUGXMTJQVKTSTH-XOSAIJSUSA-N 390.488 -0.114 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccnc(-n2cncn2)c1 1110196136 USWDHGBZNNDATO-PMPSAXMXSA-N 379.424 -0.253 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(=O)NC2CC2)C[C@H]1OC 1213462738 OASZYDABXOOQAV-APIJFGDWSA-N 380.445 -0.619 30 20 GBED COCC#CCN1CCS(=O)(=O)[C@@H](CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1230477196 LMHHWOYXDAVRFY-RFSXOUPVSA-N 396.509 -0.335 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CCO1 1321785509 AIOXADGASBQHLH-GFCCVEGCSA-N 385.829 -0.019 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2nc(C(F)(F)F)n[nH]2)CC1 1323806520 HSZVHMOKSWMEED-UHFFFAOYSA-N 386.334 -0.572 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1CN(C)CCN1C 1326596903 NLMNWXJVFFKNOS-GOSISDBHSA-N 387.484 -0.105 30 20 GBED CCN(CC)C(=O)CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1330512868 MMEYZIRZYLDYMC-INIZCTEOSA-N 399.451 -0.240 30 20 GBED C#CCNC(=O)[C@@H](C)NC[C@@](C)(NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC1 1573285210 FCHARRRGOHJHSY-ADLMAVQZSA-N 384.444 -0.179 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[nH]n2)C[C@@H]1O 1573286439 BTCQZVNVUVDGIC-HLTSFMKQSA-N 397.848 -0.319 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[nH]n2)c(C)n1 1573286878 JNRXXYRSBWTYHM-UONOGXRCSA-N 385.428 -0.070 30 20 GBED C#CCNC(=O)CC(=O)N1CC[C@H](N(CC)C(=O)[C@H](C)OCc2cnn[nH]2)C1 1575004818 MOSNHTXAVPKMPJ-ZFWWWQNUSA-N 390.444 -0.701 30 20 GBED N#Cc1ccc(N2CC[C@@](O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cn1 1581871243 MXGAUYXKEWTWKD-QGZVFWFLSA-N 379.384 -0.167 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 1588356770 ZYSSWDVMVXCIEB-WCQYABFASA-N 376.392 -0.389 30 20 GBED C#Cc1ccc(C(=O)N2CCO[C@@H](CN=c3cc[nH]c(-c4nn[nH]n4)n3)C2)nc1 1588365368 XVBJCOZHAJTJOP-ZDUSSCGKSA-N 391.395 -0.592 30 20 GBED C=CCn1cc(C(=O)N[C@H](C)[C@@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 1588713924 ZCJHYGNDGWVJJU-NXEZZACHSA-N 384.404 -0.091 30 20 GBED C=CCCOCC(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 1602843974 DNYDUUDWMXVFEH-KRWDZBQOSA-N 388.432 -0.039 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)NC[C@H](C)N=c1cc[nH]c(-c2nn[nH]n2)n1 1602864090 VZGAZTQQZZFNBK-JTQLQIEISA-N 388.436 -0.741 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C1 1602885373 CWKBIJLITCFDDP-MUGBGTHKSA-N 383.412 -0.028 30 20 GBED N#Cc1ccc(N2C[C@H](C(=O)NCc3nnc4c(=O)[nH]ccn34)CC2=O)cc1 1616673927 ZWESLGWYTSSTHR-GFCCVEGCSA-N 377.364 -0.041 30 20 GBED COCCN(C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1771076672 OMDVTBTVTISLRF-GJZGRUSLSA-N 391.476 -0.074 30 20 GBED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2 1779360642 HHACYXJSTRDNDZ-UIBRDTJHSA-N 382.461 -0.717 30 20 GBED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780338024 WQYCTRRVTRGRJG-HNAYVOBHSA-N 385.424 -0.049 30 20 GBED COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(O)c1 1780556052 UBPVTOGIZNHKPF-LJQANCHMSA-N 388.376 -0.068 30 20 GBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)CCO2 1783048878 NNGDPPLFTWDJGX-GOSISDBHSA-N 391.449 -0.297 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1783557511 NCRBUWDVKUGJKN-ZOJXTTQQSA-N 378.425 -0.297 30 20 GBED COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792632372 SRFPXNOBDNBFBI-XGUBFFRZSA-N 380.445 -0.723 30 20 GBED COC(OC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1793169356 XTKDFFBGPYRHSA-BTTYYORXSA-N 382.461 -0.523 30 20 GBED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2 1793261864 GENZZOPAPHUPGX-HBCWATKFSA-N 386.408 -0.436 30 20 GBED CN(C)c1ccncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1794472746 QNHMQGGQPZUVQH-IVWMJMPLSA-N 386.408 -0.561 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCCN1 1799216648 MKWALMGGDSITDO-UIVXKWKOSA-N 391.516 0.000 30 20 GBED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1808425769 CRSHVSWOHZJXHV-HOCLYGCPSA-N 391.424 -0.093 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCOC)CCO2)C1 1830473361 AAFXGGMVTCXKJA-QFBILLFUSA-N 382.457 -0.092 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C)COC3)C2)C1 1831386586 AVXIWJPVEUKKFF-DNVCBOLYSA-N 380.441 -0.482 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1832460975 MUPDGBKRTNABAV-KBXCAEBGSA-N 399.513 -0.113 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1834761129 QTQSKCHVEGIPNN-DDKKJVIOSA-N 376.413 -0.809 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1835363950 HBVOVEOLZAZSQX-GOSISDBHSA-N 389.412 -0.384 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836417363 NRLQHFUTLPOWHZ-GOSISDBHSA-N 390.396 -0.133 30 20 GBED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1837662824 DVISWNKOFYWAKS-HNAYVOBHSA-N 382.505 -0.279 30 20 GBED CC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838732978 HMIJLUNHQHEPMC-CRAIPNDOSA-N 376.413 -0.273 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)C1 1839866567 FEMOTYOJJFKTDE-KXBFYZLASA-N 377.441 -0.455 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1840168140 ARMNBHAQDBHYPJ-OXJNMPFZSA-N 391.468 -0.063 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1840173352 RYMNKNYTHJBSCT-GOSISDBHSA-N 386.412 -0.230 30 20 GBED CCN(C(=O)Cn1cnc(C#N)n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14143531 YNXFNGVEHXAZLW-UHFFFAOYSA-N 394.395 -0.317 30 20 GBED C#Cc1cccc(NC(=O)CN(C)C(=O)CN2CCN(S(C)(=O)=O)CC2)c1 52244626 SZRCIUULTBGSLM-UHFFFAOYSA-N 392.481 -0.358 30 20 GBED C=CCCO[C@H](C)C(=O)N1CCO[C@@H](CN(CC(=O)O)S(C)(=O)=O)C1 262912440 JXQJTHYUNQRGOR-CHWSQXEVSA-N 378.447 -0.459 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3cc(C)on3)CC2)C1=O 299527526 MJSHGVYLFVYSNQ-UHFFFAOYSA-N 375.385 -0.396 30 20 GBED CCS(=O)(=O)N1CC(C/N=C(/O)N2CCN(C)[C@@H](c3nccn3C)C2)C1 329940041 BICDXDHTONIFFE-CQSZACIVSA-N 384.506 -0.096 30 20 GBED CC[C@H](/N=C(/O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)N1CCOCC1 330731665 JEBYMGGWQYTIGK-MJBXVCDLSA-N 390.506 -0.012 30 20 GBED CC[C@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N 349517574 FSMUGOYPFHMAEV-RYUDHWBXSA-N 380.492 -0.910 30 20 GBED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1CCS[C@@H]2COCC[C@H]21 349622846 RSTZXRZDKREYMG-CHWSQXEVSA-N 397.544 -0.254 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)CCO1 409589653 VHQMOPMGBOXDCX-HOTGVXAUSA-N 378.454 -0.065 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@@H](S(N)(=O)=O)C3)C2=O)cc1 409620191 HVGPDTAIBWKBQA-HUUCEWRRSA-N 391.453 -0.268 30 20 GBED CC1(C)CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1 418958258 GBROLWLCPOGGQK-INIZCTEOSA-N 383.452 -0.014 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@@](C)(C(=O)O)C3)CC2)c1C#N 422874158 NDNSXXUCSJRBBF-GOSISDBHSA-N 388.428 -0.428 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@](C)(C(=O)O)C1 422907293 WUUNWENVJJOOBB-XIKOKIGWSA-N 386.412 -0.291 30 20 GBED COC(=O)Cn1cc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)nn1 441441035 APKGMQCXQLYDIR-UHFFFAOYSA-N 384.400 -0.250 30 20 GBED C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 531271584 ZVSZMQOELYNVQM-NWDGAFQWSA-N 390.487 -0.711 30 20 GBED C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 537010440 IRDYPQRZMBEONG-LBPRGKRZSA-N 380.426 -0.078 30 20 GBED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CC(N)=O 560427298 LFYLRTDJQXAMIH-JTQLQIEISA-N 387.465 -0.445 30 20 GBED CN1CCN(CCCCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 567969551 IBGNPMGBOKFDQR-UHFFFAOYSA-N 393.513 -0.020 30 20 GBED CCCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(N)=O)cc1 576838105 OQZRCYQQQWGNPG-NSHDSACASA-N 388.471 -0.237 30 20 GBED COCCO[C@@H]1COCC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 581401201 WFYGEBVFEDZBPI-JKSUJKDBSA-N 397.453 -0.227 30 20 GBED CN(C)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 590369670 JJTZELKSSHWPHG-MRXNPFEDSA-N 394.497 -0.002 30 20 GBED C[C@@H](N)[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCO1 591570930 XKIMWSCLOMDVGR-QAPCUYQASA-N 385.468 -0.223 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 597510432 GZRNTTRIJGQSHI-ZDUSSCGKSA-N 389.441 0.301 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)CC1 602259989 XWKZUTDPKDNYTB-LBPRGKRZSA-N 389.378 -0.286 30 20 GBED COCC(=O)NC1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 611371102 PTCYUNKGZBTMDF-KRWDZBQOSA-N 379.505 -0.094 30 20 GBED Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)NCC#N)[C@@H](C)O)cc1C 731233619 MPOPYMKVBVOVNV-DOMZBBRYSA-N 383.426 -0.486 30 20 GBED COc1ccc(S(=O)(=O)N2CCC(=NNC(=S)NCC(N)=O)CC2)cc1 731929660 JPQACSWIIYVHGF-UHFFFAOYSA-N 399.498 -0.215 30 20 GBED O=C(O)CC1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 767050836 HWVJDJRTYTZDJK-UHFFFAOYSA-N 381.410 -0.135 30 20 GBED CC1(C)NC(=O)N(CCOC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O 795323290 AZONEUHDHYPOEB-UHFFFAOYSA-N 394.409 -0.290 30 20 GBED CN(CCC#N)C[C@@H](O)CNCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 818973547 ZPOYLBJZTPUQQS-HNNXBMFYSA-N 383.493 -0.138 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(c3ccccc3)=NO2)CC1 831556963 XYBCYGLUOKUSBF-INIZCTEOSA-N 376.438 -0.209 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](O)Cc2cccc(OC)c2)CC1 831568720 QAMKCLDXTWVVMJ-INIZCTEOSA-N 381.454 -0.790 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)O)oc2CC)CC1 833365382 HNWPWENTQONUNN-UHFFFAOYSA-N 397.453 -0.014 30 20 GBED N#C[C@@H]1CNC[C@@H]1NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 843459774 IDAGSIXOWMWVIP-YCPHGPKFSA-N 378.454 -0.015 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)CCN3C(=O)CCNC3=S)CC2)c1C#N 847876927 NKSQNAAMWKOPSN-UHFFFAOYSA-N 389.485 -0.254 30 20 GBED CN(CCC#N)S(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)O 849232489 NRAHWVZLEOLVFH-DTWKUNHWSA-N 386.352 -0.327 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1OC 946822343 QKHYAQJPTQLFGZ-YIYPIFLZSA-N 388.486 -0.257 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2cnn(C)c2C)C1 965658557 IUWSLYUQLSZYTN-DFGXFYAUSA-N 376.457 -0.060 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(C)c2OC)C[C@H]1O 1023940000 WCRUNILYJGBTRT-MYPMTAMASA-N 378.429 -0.289 30 20 GBED C#CCNC(=O)CC(=O)NC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCOCC1 1070082583 HOZNBUGHOUJQFI-JSEZXORMSA-N 389.452 -0.669 30 20 GBED C#CCNC(=O)CN1CC[C@@]2(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCC[C@@H]12 1107544260 UZAOLEZCSHWBOR-NRTGNBEESA-N 376.457 -0.871 30 20 GBED C=CCN(CC=C)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1111019512 AJVZLAHWSGEIEW-UHDSXZAQSA-N 390.484 -0.059 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)[C@@H]2C1 1189144203 QRUCRFRRHCMQTL-LJISPDSOSA-N 391.472 -0.745 30 20 GBED Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)nn1CCC#N 1261241082 WXMRBLIFRYCXED-GFCCVEGCSA-N 382.446 -0.464 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 1340422714 JEJBHHGHKXBBKZ-OAHLLOKOSA-N 387.502 -0.537 30 20 GBED CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cc1 1345857920 MNNHPYDPFLQFCN-KRWDZBQOSA-N 395.437 -0.538 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O 1573300892 WIEZCMIODQCFLO-GWCFXTLKSA-N 375.389 -0.384 30 20 GBED C#CCN(C(=O)Cn1ncnn1)C1CCN(C(=O)CCCc2cnn[nH]2)CC1 1574927829 BPBIQNSNKWCQPR-UHFFFAOYSA-N 385.432 -0.733 30 20 GBED C#CCO[C@H](C)C(=O)N1CCN(CCNC(=O)[C@@H](C)OCc2cnn[nH]2)CC1 1575012510 BFEUUAJCYZPBCX-HUUCEWRRSA-N 392.460 -0.992 30 20 GBED Cc1cc(-c2nn[nH]n2)c(O)nc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1580599622 CPEZSLMNVPHUGX-VFZGTOFNSA-N 389.397 -0.714 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)NCc1cc(-c2nn[nH]n2)ccc1F 1588502539 SZNXUVDEMXETES-GUYCJALGSA-N 378.408 -0.100 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2Cc3ccc(-c4nn[nH]n4)cc3C2)C1=O 1588654911 QXFXHXGDQRXQNL-UHFFFAOYSA-N 381.352 -0.314 30 20 GBED COC(=O)C1(C#N)CCN(C(=O)C(=O)N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)CC1 1598715382 FGWWDZWLYFJXHO-QWHCGFSZSA-N 377.397 -0.139 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1 1602733044 QXWMWGZDSZUZDO-UHFFFAOYSA-N 399.480 -0.002 30 20 GBED COCC(C)(C)N1CCN(C(=O)C(=O)N2CCC(C#N)(C(=O)O)CC2)CC1 1606779744 HWBSQVDSUXJIJD-UHFFFAOYSA-N 380.445 -0.227 30 20 GBED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781421805 NOPFPAOPMSKPOV-HRYJJRBTSA-N 386.412 -0.180 30 20 GBED N#CCc1ccc(C(=O)N2CC[C@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)cc1 1781787432 ZGZNIIFCHXRDDX-IBGZPJMESA-N 395.423 -0.117 30 20 GBED Nc1ncc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)s1 1791076182 XTPKGAVBIMAQLD-DCAQKATOSA-N 378.410 -0.593 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078341 WKIKVEKBOUWQTL-KKUMJFAQSA-N 392.408 -0.437 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)OC)[C@H]2C1 1791315169 JRYPYUJXPMWCOC-VIDVPJGOSA-N 379.457 -0.141 30 20 GBED NC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1792283151 MOFYJXXNXSBKHP-DVBNOFGCSA-N 391.428 -0.654 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1792491249 CZIKCGWJHCICJW-ANEUXZKPSA-N 389.452 -0.673 30 20 GBED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2 1793386903 TXHYOLTYSLFNGJ-DLTLXFJOSA-N 394.497 -0.213 30 20 GBED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccnc1 1793956086 DKOZJSAUHAKGIO-SCAQPMJSSA-N 399.451 -0.049 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](O)C1 1797148110 YIRKQYMQGAGWQZ-PWFLSRTFSA-N 378.473 -0.371 30 20 GBED CN1CCN(C2(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C#CC(=O)O)C4)CC2)CC1 1799977695 NQRLWHOWIYTXBI-MUJYYYPQSA-N 388.468 -0.507 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1cncn1 1801261046 XJOGWKCOWDAMHP-MPTYRVRUSA-N 377.445 -0.151 30 20 GBED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCN(C(C)=O)CC3)sc2C1 1818898291 FJKXAYSJYQQXEK-CYBMUJFWSA-N 389.481 -0.148 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1830056353 VCLNVZBCPBGKMB-IBGZPJMESA-N 394.472 -0.675 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(COC)CC3)C2)C1 1831387801 KXNKALTUEATPQM-UZLBHIALSA-N 394.468 -0.092 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1834760105 HBMAFJDOQVNNBU-HNNXBMFYSA-N 378.345 -0.698 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1839806285 IKEMLNHCJVOSNE-ZDUSSCGKSA-N 396.293 -0.569 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1840176194 ZATUGZQHHUBZFW-SFHVURJKSA-N 376.413 -0.112 30 20 GBED CC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)C(C)(C)C#N)C2)CC1 1841137620 IIGALAVZJKOWRP-UHFFFAOYSA-N 375.473 -0.096 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@@H](O)NC(=O)OCC)C2 1845188559 FYTJCTVLRXWTPG-CQSZACIVSA-N 397.428 -0.236 30 20 GBED CCCn1c(N)c(C(=O)Cn2cc(C(=O)OC)cc(C#N)c2=O)c(=O)[nH]c1=O 31805844 OMUBGCKKIJFIAA-UHFFFAOYSA-N 387.352 -0.768 30 20 GBED C=CCN(CC=C)C(=O)CN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 51768197 KZAZXLHZSKPRJL-UHFFFAOYSA-N 385.534 -0.703 30 20 GBED C[C@H](CO)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 284340935 CFCAWKURDSNVGN-CQSZACIVSA-N 380.470 -0.296 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCCO[C@@H]3CCOC3)CC2)nc1 288800555 IPXWVUONEJTHDU-MRXNPFEDSA-N 387.440 -0.086 30 20 GBED COC[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CCCO1 289800110 RDPIJTJZJDRYIB-HZPDHXFCSA-N 387.440 -0.088 30 20 GBED Cc1cc(N2CC[C@H](N/C(O)=N/C[C@@H]3CCN(S(C)(=O)=O)C3)C2=O)n(C)n1 328668438 DRHAEQZOWACAMP-STQMWFEESA-N 398.489 -0.381 30 20 GBED C[C@H](/C(O)=N/CCC(=O)N1CCOCC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 329833247 GIKZWHWHJRYMPS-FWZIUSJTSA-N 379.413 -0.257 30 20 GBED COC[C@H](C)/N=C(/O)NC(=O)CN1CCC[C@H](N2CCCS2(=O)=O)C1 331256055 ZGAFSYPMYOGPOI-STQMWFEESA-N 376.479 -0.449 30 20 GBED CN1CC[C@@H](NS(=O)(=O)CCCS(=O)(=O)N[C@]2(C#N)CC2(C)C)C1=O 349544575 BFBZPLWWYYVVAG-RISCZKNCSA-N 392.503 -0.862 30 20 GBED C=CCNC(=O)CNC(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 367607512 ICPFLFHSZBOGNP-CHWSQXEVSA-N 378.433 -0.057 30 20 GBED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCOC[C@H](O)C2)n1 453825597 UCIACHCDIQYFBC-CYBMUJFWSA-N 389.799 0.556 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCC(=O)NC1CC1 460596810 IFBHLBVAOKUILH-UHFFFAOYSA-N 395.423 0.561 30 20 GBED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 490358585 BQJZMUSUZLAWAD-HNNXBMFYSA-N 399.451 -0.112 30 20 GBED N#Cc1cccc(F)c1CC(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 491901023 KHPDYYOLYXYIBM-HZPDHXFCSA-N 381.429 -0.458 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)nn1CCC#N 504503575 SPUMXBSLMBHKEJ-CQSZACIVSA-N 388.428 -0.107 30 20 GBED C[C@@H](CNC(=O)C(=O)NCCSCc1ccccc1C#N)S(N)(=O)=O 541014652 XZXACILOPPWQFK-NSHDSACASA-N 384.483 -0.299 30 20 GBED C=CCN1CCC(NC(=O)C(=O)NC2CCN(CC(=O)NCCC)CC2)CC1 550808177 NCLARSYPJWDICU-UHFFFAOYSA-N 393.532 -0.140 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)CC2)c1C#N 562693335 LVUCPHZYZBHODD-MRXNPFEDSA-N 399.499 -0.055 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NCCSCCCO)cc1 572060392 URHBHNNJUJMYNQ-UHFFFAOYSA-N 393.512 -0.118 30 20 GBED COC[C@](C)(O)CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 583095148 YUJQQGWJGZGBIH-SMDDNHRTSA-N 391.471 -0.447 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCN(C)C1=O 594633967 AZYNVPWLSMVQFQ-QWRGUYRKSA-N 386.455 -0.614 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CCOC1 594634546 VPVLRFBXNPAMRU-GFCCVEGCSA-N 384.439 -0.208 30 20 GBED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 669816979 UOZMLAFNVNLXQQ-UHFFFAOYSA-N 375.477 -0.090 30 20 GBED C#CCN1CCN(C(=O)CN2C(=O)N[C@](C)(c3cccc(C(N)=O)c3)C2=O)CC1 749873281 FOJSQRMBBIQAFZ-HXUWFJFHSA-N 397.435 -0.670 30 20 GBED CCOc1cccc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)n1 763312315 LVOPXMIJKAQGLX-UHFFFAOYSA-N 383.433 -0.182 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCS[C@@H]3COCC[C@@H]32)c1=O 767783310 UITMVNDWUAXFJM-UONOGXRCSA-N 380.470 -0.293 30 20 GBED CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 768731752 LUKOJQSDIKUVCG-QGZVFWFLSA-N 397.453 -0.066 30 20 GBED N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCCC1 779314148 XBPABOGZLVRJBD-RFHZTLPTSA-N 395.437 -0.321 30 20 GBED COC(COCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)OC 789910492 KATOXKBEJNHIDO-GFCCVEGCSA-N 385.442 -0.023 30 20 GBED C#CCCS(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 810782444 MWAUVFXJDGSVDE-UHFFFAOYSA-N 386.451 -0.210 30 20 GBED COc1ccc(CNC(=O)C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)cc1C#N 829351485 MQRJUEDTUUMICY-JSGCOSHPSA-N 381.410 -0.889 30 20 GBED CCONC(=O)CNC(=O)C(=O)Nc1c(C#N)cn(CC)c1C(=O)OCC 846132861 PESAYCXLDNOCJM-UHFFFAOYSA-N 379.373 -0.321 30 20 GBED C#C[C@H](C)NS(=O)(=O)CCCCS(=O)(=O)Nc1ccc(=O)n(C)c1 848967961 KGWRGFCRSHTJLB-LBPRGKRZSA-N 375.472 -0.152 30 20 GBED CNS(=O)(=O)CCCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 863433590 AUCCUGMDRKLCGA-UHFFFAOYSA-N 388.471 -0.829 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1C 990344958 YPVKYTSUDDOJID-NDBYEHHHSA-N 392.412 -0.896 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 994646384 SPCJETZDFPNFRH-SYQHCUMBSA-N 378.429 -0.660 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cnn(C)n2)C[C@@H]1n1ccnn1 1070051898 WILYNFYTSUTTFX-YVSFHVDLSA-N 386.460 -0.071 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[nH]1 1109804668 XWQBQUBHQKTCRJ-BARDWOONSA-N 376.461 -0.199 30 20 GBED C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC(=O)NC(C)(C)C 1110389419 SAIPRJGGBNQASQ-KFWWJZLASA-N 380.489 -0.059 30 20 GBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1117533029 RTBZZXFVOBZJGW-BBRMVZONSA-N 397.435 -0.141 30 20 GBED C[C@@H]1[C@H](C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](c3cn(C)cn3)C2)CCN1C 1130593182 UHVYIRQJISESKJ-PNBKFKSVSA-N 387.488 -0.716 30 20 GBED CCOC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC12COC2 1261893411 QALICQMFMRCBDI-GJZGRUSLSA-N 390.440 -0.777 30 20 GBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Cc1cccc(OCC#N)c1 1319538230 ALEYVBBTDYVNHY-AWEZNQCLSA-N 379.438 -0.107 30 20 GBED N#Cc1ccccc1N1CCCN(C(=O)C(=O)NCCN2C(=O)CCC2=O)CC1 1323006539 BBQNKJQHQLMGQD-UHFFFAOYSA-N 397.435 -0.138 30 20 GBED C=CCn1cnnc1S(=O)(=O)CC(=O)N1CCN(C(=O)c2ccco2)CC1 1323706566 GOSDEKPLELAJCS-UHFFFAOYSA-N 393.425 -0.185 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)CCO1 1324148299 LCHWJHDEBSZJAL-OAHLLOKOSA-N 392.437 -0.406 30 20 GBED COCCOC1CN(C(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)C1 1325012945 KATLCLHBZWTJFF-UHFFFAOYSA-N 393.469 -0.154 30 20 GBED COCCCN(C(=O)C(=O)Nc1cccc(C#N)n1)[C@@H]1CCS(=O)(=O)C1 1326076781 GPBYONKIZPKHKV-CYBMUJFWSA-N 380.426 -0.056 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[C@@H](C(N)=O)C2)CCN1Cc1ccccc1 1328950665 YQEDYFSOKVGMMI-IKGGRYGDSA-N 383.452 -0.007 30 20 GBED C#CCO[C@@H](C)C(=O)NCCN1CCN(C(=O)[C@@H](C)OCc2cnn[nH]2)CC1 1575013319 NSIFPTYUIKHASC-LSDHHAIUSA-N 392.460 -0.992 30 20 GBED N#Cc1cc(C(=O)N2CC[C@](O)(CNC(=O)CCOCc3cnn[nH]3)C2)c[nH]1 1577712249 GJDABCLBBDRQRZ-KRWDZBQOSA-N 387.400 -0.695 30 20 GBED N#Cc1cc(C(=O)NC[C@H]2[C@@H]3CN(c4cnc(-c5nn[nH]n5)cn4)C[C@H]23)c[nH]1 1581865636 MOJVJSBAKFMWKG-XYYAHUGASA-N 376.384 -0.031 30 20 GBED C#CCN1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4c[nH]c(-c5nn[nH]n5)c4)C3)[C@@H]2C1 1588353170 JCEXQQDBLXWGOQ-CFVMTHIKSA-N 396.411 -0.453 30 20 GBED C#CCNC(=O)CN1CCC2(CC1)C[C@@H]2NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588354131 GPNJDZYJOBSFTJ-AWEZNQCLSA-N 382.428 -0.472 30 20 GBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)O)[C@@H]2C(=O)OC 1609487389 NNFWBCHFCACYBB-LQSBQDLSSA-N 380.397 -0.443 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)c4c[nH]c(=O)cn4)CCO3)C2)c1 1780333843 IOQBCLYKLJOVMI-SFHVURJKSA-N 382.380 -0.273 30 20 GBED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)cc1 1781046563 SZEMKZRBFOQJFW-ZWOKBUDYSA-N 384.436 -0.275 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781421853 PFLMAQPRSHPYPC-KSSFIOAISA-N 377.445 -0.319 30 20 GBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1781694692 ONNQVIZMSXGRSF-FRIZHTMISA-N 395.456 -0.023 30 20 GBED CC(=O)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015577 SJRILBWBJDTCAO-RDTXWAMCSA-N 379.413 -0.886 30 20 GBED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1783195315 QOINRGUEFKQBNX-MRXNPFEDSA-N 385.415 -0.132 30 20 GBED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1783681946 RBXZKQPPSBMXAJ-FQUUOJAGSA-N 379.461 -0.891 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784385794 YSXCYRCHRGBYQQ-JKQORVJESA-N 393.440 -0.556 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785366433 GNDVYQVKFNSBPU-ACJLOTCBSA-N 394.428 -0.425 30 20 GBED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCN(C)CC1)C2 1793573242 RQCOQWSJTKQZKK-FJIDUMEYSA-N 376.501 -0.090 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncnn1C 1794569950 SPCQZFABSOCAAK-CRWXNKLISA-N 377.445 -0.409 30 20 GBED COCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1795355023 ASWOZVPDTPAQDK-XOIINTDNSA-N 376.413 -0.247 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H](O)CN1 1799916823 UJHSGUHHAPTHNS-BAPANKBGSA-N 376.457 -0.794 30 20 GBED NC(=O)CC[C@H](N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1817249959 LHUGPHNOEDWCPL-CMPLNLGQSA-N 390.400 -0.917 30 20 GBED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(O)O)CCO3)c1 1830403244 PJROYKSIWMWSAV-LJQANCHMSA-N 389.408 -0.753 30 20 GBED Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)no1 1832921173 VRNZBXQLOZIUCD-IBGZPJMESA-N 388.424 -0.210 30 20 GBED Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)no1 1832921507 SQRUXGJULINQMQ-SFHVURJKSA-N 391.428 -0.073 30 20 GBED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(N)=O)CC2)CC1 1833468430 JMMAPSUHYBKALP-AWEZNQCLSA-N 393.488 -0.735 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1834756001 HMGSCLYOZPDPHC-SFHVURJKSA-N 387.396 -0.836 30 20 GBED N#Cc1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CN)CCO3)C2)ccc1F 1835551364 HCGCFCYTBYJNCA-LJQANCHMSA-N 390.415 -0.345 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1838073283 CABVNCDINKPYPI-DLBZAZTESA-N 396.532 -0.156 30 20 GBED C=CCOCCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039943 KMCKOWDPKOCVPH-IBGZPJMESA-N 394.424 -0.486 30 20 GBED COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840319876 NZKDPHUJFSRZFI-KRWDZBQOSA-N 380.401 -0.897 30 20 GBED C=CCNC(=O)CNC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 272020073 RUIRDHHRHRBWBC-UHFFFAOYSA-N 385.402 -0.526 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)c2ccc(N3CCOCC3)nc2)C1=O 273430506 UOYYAULBCRWSPU-UHFFFAOYSA-N 387.396 -0.142 30 20 GBED CN(C[C@H]1CCCN(/C(O)=N/CCN2CCN=C(O)C2)C1)S(C)(=O)=O 329565771 SQTVQORHKHXPKA-CYBMUJFWSA-N 375.495 -0.224 30 20 GBED C[C@H](/N=C(/O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[C@@H]1CCCOC1 329812203 RVWTYWWSLGGNRB-QWHCGFSZSA-N 380.449 -0.322 30 20 GBED Cc1csc(NS(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)n1 349457908 KSPOGMMGWKNKDJ-UHFFFAOYSA-N 394.500 -0.127 30 20 GBED CN(C1CC(O)C1)S(=O)(=O)CCCS(=O)(=O)N(C)C1(C#N)CCC1 349505880 TZZIQWQKXFJNEX-UHFFFAOYSA-N 379.504 -0.131 30 20 GBED N#Cc1cccc(NS(=O)(=O)CCCS(=O)(=O)NCC2(O)CCC2)n1 349564749 HWQCJOBULYYGBS-UHFFFAOYSA-N 388.471 -0.081 30 20 GBED Cn1cnc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H](C#N)C2)n1 349575911 PVXCTJWPHMBTGP-WDEREUQCSA-N 376.464 -0.441 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)C1=O 370549079 XWLMZJOUYSTXER-KGLIPLIRSA-N 378.429 -0.277 30 20 GBED C=C[C@](C)(O)CC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 408214295 MKMWDCOGUONFLR-DZKIICNBSA-N 375.491 -0.188 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCn3ncnc3C2)CCN1Cc1ccccc1 410596431 ZVDJYHVMGRHGND-MRXNPFEDSA-N 379.424 -0.143 30 20 GBED CCOC(=O)c1c(NC(=O)C(=O)N2CCNC(=O)[C@H]2C)c(C#N)cn1CC 421210513 QQAHXFGGBRQKQM-SNVBAGLBSA-N 375.385 -0.158 30 20 GBED C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 442329734 DZUAZHSNXCWMPB-CJNGLKHVSA-N 398.423 0.447 30 20 GBED CNC(=O)N[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 466394955 GIJDYIFQRHPMNV-WCQYABFASA-N 379.442 -0.245 30 20 GBED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)cn2)c1=O 531884195 FJSMTGOYZAGPND-UHFFFAOYSA-N 384.461 -0.005 30 20 GBED COC(=O)[C@H](CN1CCOCC1)NS(=O)(=O)Cc1cc(C#N)ccc1F 562528302 CBQSKIXIARTXQZ-HNNXBMFYSA-N 385.417 -0.009 30 20 GBED C[C@H]1OCC[C@@]1(O)CNS(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 570985548 JBYDTRDXHQJMMP-BXUZGUMPSA-N 389.455 -0.693 30 20 GBED COC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c(C#N)n1 576121623 HVRNIMKVAWXDLK-UHFFFAOYSA-N 376.398 -0.026 30 20 GBED CC(C)(C#N)CCS(=O)(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 582454185 PWDJVMUOFLDHJJ-UHFFFAOYSA-N 394.519 -0.549 30 20 GBED COc1cccc(NC(=O)CN(C)C(=O)Cn2c(=O)c(C#N)cn(C)c2=O)c1 590709592 XDQSLEZXNYACMJ-UHFFFAOYSA-N 385.380 -0.476 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)c(C(N)=O)c2)CC1 728590166 UROQWCAWTCVZBO-UHFFFAOYSA-N 378.454 -0.850 30 20 GBED Cc1ccc(C(=O)N2CCCN(CC(N)=O)CC2)cc1S(=O)(=O)NCC#N 731193279 BWANDNLYPMWHEL-UHFFFAOYSA-N 393.469 -0.570 30 20 GBED CN1CCN(S(=O)(=O)c2cccnc2NN=C2CCN(C(N)=O)CC2)CC1 734751731 ZOZWWJZPAHVASR-UHFFFAOYSA-N 395.489 -0.040 30 20 GBED C[C@](C#N)(NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C1CC1 745478990 PXCBKYAWADHDIS-ADUAKINBSA-N 375.381 -0.500 30 20 GBED N#Cc1cccnc1NCCNC(=O)NCCNS(=O)(=O)Cc1ccon1 750288288 DJBOJGLYQHUTRR-UHFFFAOYSA-N 393.429 -0.228 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@H](CO)C2CC2)CC1 771822493 YTHKXMWVQNIIHS-MRXNPFEDSA-N 392.481 -0.248 30 20 GBED CN1CCC(N2CC[C@@H](NC(=O)C(=O)NCCNc3ccc(C#N)cn3)C2)CC1 806210850 KERZVKARUAASAH-MRXNPFEDSA-N 399.499 -0.234 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C 814250713 XMOXAONKBDRQGH-UHFFFAOYSA-N 397.407 -0.826 30 20 GBED CC1(C)OCC(NS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)CO1 848940962 CHZWAVRPLQXDIO-UHFFFAOYSA-N 389.455 -0.082 30 20 GBED CC(C)(C)OC(=O)N1CCN2/C(=N/CC3CN(S(C)(=O)=O)C3)NC[C@H]2C1 849097307 ADKSYNFNADWZLG-ZDUSSCGKSA-N 387.506 -0.242 30 20 GBED C#CCN1CCN(C(=O)CN2CCC(NC(=O)N3CCOCC3)CC2)CC1 852192844 HCHNVHIXTIFFKL-UHFFFAOYSA-N 377.489 -0.730 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cncc(OC)n2)C1 963060268 RRJKANSIUVKMFV-AEIGPULVSA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 965889168 NHAYGEXRTMQVGM-MQYQWHSLSA-N 392.460 -0.289 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnnc(O)c2)C1 966796098 ZRUJPZLXAYXLOX-FQLMCAECSA-N 376.413 -0.145 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2cn(CC(N)=O)nn2)n1 1055350058 PJERFDQFVDEELX-BZPMIXESSA-N 381.400 -0.727 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[C@H]2C(N)=O)C1 1103439630 LZALMPKAVYUHIH-SYQHCUMBSA-N 379.461 -0.806 30 20 GBED C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C[C@H]1CNCC(=O)NCC#N 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30 20 GBED C#CCNC(=O)CC(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573286334 ZASRQTQZIWXDEO-LBPRGKRZSA-N 384.400 -0.993 30 20 GBED C=C1CCC(C(=O)N[C@@H]2CN(C(=O)CC(=O)NCc3cnn[nH]3)C[C@@H]2O)CC1 1575061996 NAVDVJDNKLUSMM-CABCVRRESA-N 390.444 -0.755 30 20 GBED N#CCSCC(=O)N1CC[C@H]2[C@@H](CCN2CC(=O)NCc2cnn[nH]2)C1 1577709973 KMVJKKSUFBURMM-JSGCOSHPSA-N 377.474 -0.400 30 20 GBED C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C(=O)OC 1588330970 MROFQXZOZZDDCK-LLVKDONJSA-N 377.382 -0.324 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O 1588351212 JJHHZXLKEDEKAC-SQNIBIBYSA-N 395.467 -0.374 30 20 GBED C#CCNCc1cn([C@@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nn1 1588354159 RMRASFLCNCZNAC-CYBMUJFWSA-N 380.416 -0.014 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C2(C(=O)O)CCSCC2)CC1 1588431812 YAIIQIIDBQMNLF-UHFFFAOYSA-N 375.472 -0.804 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 1588503196 XALGKTHXXZKDQW-SJORKVTESA-N 388.432 -0.569 30 20 GBED C=CCNC(=O)CN1CCO[C@](C)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588658959 GBWCANMGIRHVQR-QGZVFWFLSA-N 388.432 -0.682 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1OC 1588726269 XHXCNESLSSDPMR-RUZUBIRVSA-N 386.416 -0.432 30 20 GBED C[C@H]1CN(C(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)C[C@@H](C(=O)O)O1 1599908729 DZNAOFYIHWXBLX-CQDKDKBSSA-N 375.381 -0.249 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)N2CCN([C@@]3(C(=O)O)CCOC3)CC2)cc1 1601093567 ASCBETDMLYIHOI-IBGZPJMESA-N 386.408 -0.324 30 20 GBED COC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1N2C(=O)CCN/C(O)=C1\N=CC=CC1=O 1610164655 PXTYGCXUBNVMRO-WZTLPFEUSA-N 391.380 -0.234 30 20 GBED NC(=O)c1ccc(NN=Cc2ccc(S(=O)(=O)NCC(=O)O)cc2)nn1 1776048731 VJXLCWVFBIGNCG-UHFFFAOYSA-N 378.370 -0.616 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](CC)NC(N)=O)CCO2)C1 1778971310 NDIAYJRJTCAGML-NJSLBKSFSA-N 396.488 -0.164 30 20 GBED C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014583 GSLWGFDYPDECRW-YTQMAXDRSA-N 393.488 -0.201 30 20 GBED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1783155972 AQFNASAXDQXHQX-HNAYVOBHSA-N 379.457 -0.065 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784592559 PGIWJLLWEKXFPJ-BBRMVZONSA-N 380.474 -0.017 30 20 GBED CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791079572 SRZIOBOFWJOVQN-QAETUUGQSA-N 391.468 -0.073 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1791258839 AEBOOKKDILGDHE-QSFUFRPTSA-N 382.442 -0.201 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@H](O)CC3)[C@H]2C1 1791406338 XUFLEEHGBGEXHV-QXKUPLGCSA-N 378.425 -0.395 30 20 GBED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1792630228 FTEQJIQRUKBSFB-GNXNZQSNSA-N 387.396 -0.072 30 20 GBED C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1793374808 ZZLBEWSDYKOKIZ-XQLPTFJDSA-N 397.497 -0.049 30 20 GBED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nccnc1C(N)=O)C2 1793571170 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C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1831433612 KJZHQBAKHXIMPC-KHYOSLBOSA-N 397.472 -0.442 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835397297 FJOZNEMGPSUXNP-YOEHRIQHSA-N 387.502 -0.907 30 20 GBED CNC(=O)CC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1836835592 ZDACQSFVXPVILG-UHFFFAOYSA-N 379.413 -0.791 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnc(O)[nH]4)CCO3)C2)CCC1 1838072708 AAWJIGZOJINGNC-GOSISDBHSA-N 389.412 -0.121 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1839841018 PQELNEGGXOQNRS-HNAYVOBHSA-N 393.488 -0.505 30 20 GBED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844294062 QTWAKFQBNVLGQD-QGZVFWFLSA-N 381.473 -0.177 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)CS(C)(=O)=O 1847258935 KAPFKZYOTKZZRH-PFTUTDBESA-N 397.497 -0.273 30 20 GBED CCN1CCN(C(=O)/C(C#N)=c2/s/c(=C\c3ccn(C)c3)c(=O)n2CC)CC1 123149699 PTCZHCNRRMNZBJ-LJXPKCHNSA-N 399.520 -0.065 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 180541220 QGNPRFKFDMZULQ-LLVKDONJSA-N 395.427 -0.667 30 20 GBED C/N=C(/NCCS(=O)(=O)N1CCSCC1)N1CCO[C@H](COC)C1 261938118 MKSFBAAURNIWCH-ZDUSSCGKSA-N 380.536 -0.712 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CCO1 265988046 YIUNWUMGAITLKB-LBPRGKRZSA-N 396.400 -0.044 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1)c1cc[nH]n1 278298933 IFYIYWKUZZBVJB-JEEMYIIMSA-N 395.460 -0.003 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2c(CC)nn(C)c2OC)C1=O 289828746 UITFWDUZUJSJIQ-CQSZACIVSA-N 377.445 -0.147 30 20 GBED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(CC#N)CC2)[C@@H](C)O)cc1 330748859 HERRGCYKHOGIGW-ZBFHGGJFSA-N 380.470 -0.310 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 409566984 HDRRZPBDKFISBS-AWEZNQCLSA-N 385.490 -0.521 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC3(CCNCC3)C[C@H]2C)CC1 424496453 TUKCWZGMDDXDSN-MRXNPFEDSA-N 391.516 -0.577 30 20 GBED CN1CCC(O)(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 474985461 AIFPBYULGOPFGP-UHFFFAOYSA-N 380.470 -0.248 30 20 GBED N#Cc1cccc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)n1 519825355 LKWQBWLPCFUMAU-ZDUSSCGKSA-N 395.441 -0.504 30 20 GBED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(N)=O 524749337 GGCUWTDBKPRTQF-UHFFFAOYSA-N 384.417 -0.022 30 20 GBED Cc1nn(C)c(N2CCN(CC(=O)N3CCN(C(=O)C4CC4)CC3)CC2)c1C#N 530361348 WPQZRYDQFDEPQH-UHFFFAOYSA-N 399.499 -0.197 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCOCCO)cc1 565230038 WCPDOAGNCLKYFE-GFCCVEGCSA-N 391.471 -0.494 30 20 GBED Cn1cnc(S(=O)(=O)NCC(=O)N2CCN(c3cnccc3C#N)CC2)c1 571829334 GTUSHXNFXLVSSY-UHFFFAOYSA-N 389.441 -0.686 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N=c2nc[nH]n2C)cc1 577292548 JLVNXKIHGJGDFO-NSHDSACASA-N 398.470 -0.040 30 20 GBED CC(=O)NCCN(C)C(=O)C(=O)N1CCN(c2snc(C)c2C#N)CC1 583024969 PHOXWAHHMAZTLW-UHFFFAOYSA-N 378.458 -0.434 30 20 GBED Cc1cc(C)nc(N2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)n1 588125052 VCKRGIQMPJGWPI-UHFFFAOYSA-N 385.472 -0.154 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)C[C@H]1C 592437418 GVRTXLAKDGSIBF-UKRRQHHQSA-N 385.424 -0.131 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC(N3CC[C@@H](O)C3)C2)cc1 593856442 WVILICRRIBCPLH-OAHLLOKOSA-N 378.454 -0.230 30 20 GBED COc1cc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)c(F)cc1C#N 599944609 SRASJHHAEWVTBR-UHFFFAOYSA-N 377.332 -0.297 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)COc1ccc(S(N)(=O)=O)cc1 610491468 SNKCPPKFERYDSE-UHFFFAOYSA-N 396.469 -0.213 30 20 GBED CN(C)C(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 610756530 OSTKFIANZVPGFK-UHFFFAOYSA-N 381.414 -0.139 30 20 GBED CS(=O)(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1cccc(F)c1C#N 781598284 SMHCMXFRWOQUMM-LLVKDONJSA-N 375.403 -0.074 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCNC(=O)[C@H]2CC(C)C)c1=O 783541942 VJBLJOGLEPSQPM-CQSZACIVSA-N 377.445 -0.652 30 20 GBED NC(=O)[C@H](O)CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 788210388 VOHMXBYSMDADFO-GFCCVEGCSA-N 382.442 -0.752 30 20 GBED N#C[C@H]1CNC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 843460073 LKMRNWHFEKLFDP-AAEUAGOBSA-N 380.426 -0.646 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@]12CCOC2=O 848956412 SDLPRFIPNDMNOQ-OAHLLOKOSA-N 399.450 -0.041 30 20 GBED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCOC 914565137 VHCOJZSCTXKFRI-UHFFFAOYSA-N 389.481 -0.291 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1n1ccnn1 990962484 FELJKIJHOYAJSN-MQYQWHSLSA-N 390.444 -0.751 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(CC(N)=O)nn1 1003371957 QLJIOALRVIPHEL-FPVZYODXSA-N 388.428 -0.784 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ccc(O)nc1=O 1006392529 BVJNVTWWBLGMQL-ZSAUSMIDSA-N 388.424 -0.212 30 20 GBED N#Cc1cncc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2CCCS2(=O)=O)n1 1055227586 DECZVQXLTOBSFI-RDBSUJKOSA-N 376.442 -0.390 30 20 GBED C#CCNC(=O)CC(=O)NCC1(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCOCC1 1070269368 GXMMZFGFVJWTGS-KFWWJZLASA-N 377.441 -0.525 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@H]1COC(=O)C1 1110443335 HJOOZZXLJGORJN-SYQHCUMBSA-N 378.429 -0.327 30 20 GBED CC(C)C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CCNC1=O 1110687285 GYVBBNZYLUNHEF-BKEDOTJMSA-N 375.473 -0.100 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H](C)CN1CCCC1=O 1117144852 LNSRXGFBHHKQRD-KGLIPLIRSA-N 399.455 -0.488 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCc1cccc(OCC#N)c1 1118618795 LYQRGVYUBDOFHL-KGLIPLIRSA-N 381.410 -0.867 30 20 GBED C=CCOCCN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@@H]1n1ccnn1 1130009407 MZOFWXJXXBJWLP-QXSJWSMHSA-N 376.461 -0.454 30 20 GBED C=CCn1cnnc1S(=O)(=O)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 1322782283 UAMTXWURWFZHHH-WDEREUQCSA-N 376.460 -0.728 30 20 GBED CCOC(=O)c1csc(CCNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)n1 1326922083 WDGXIUDDIKWNMD-INIZCTEOSA-N 380.426 -0.144 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCC(C(=O)NCCCOC)CC1)[C@@H]1CCCO1 1347038699 ITFSOWWMCGVTCF-CVEARBPZSA-N 379.457 -0.325 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cn1 1573287807 LDBGRZVLIOUMOY-HUUCEWRRSA-N 392.379 -0.814 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)O)[C@@H](C(=O)OC)C2)c1 1573311800 YTDOTWSWEPFWNH-KGLIPLIRSA-N 394.405 -0.456 30 20 GBED Cc1c(-c2nn[nH]n2)c(=O)n(CC(=O)NCc2ccc(C#N)cc2)c(=O)n1C 1580521148 IUTWREYGWZNBQZ-UHFFFAOYSA-N 380.368 -0.776 30 20 GBED C#CCNC(=O)CN1CCN(c2nc3ncccc3cc2-c2nn[nH]n2)CC1 1588354009 CVBBAZLJHWVSIJ-UHFFFAOYSA-N 377.412 -0.319 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)CC2 1588354385 LPWUIMQHMQTCBS-KBPBESRZSA-N 382.428 -0.377 30 20 GBED C#CCOCCC(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nn[nH]n2)C[C@H]1O 1588361703 ROYCOHREOXGBGB-LSDHHAIUSA-N 385.428 -0.334 30 20 GBED C=CCNC(=O)NC(=O)CN[C@H](C)CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588658550 PIMSFPAZJIUCDM-SNVBAGLBSA-N 389.420 -0.695 30 20 GBED C=CCOC[C@@H](NC(=O)CNc1ccc(S(N)(=O)=O)cc1F)C(=O)O 1588854148 PJHNJPFLDDNPNF-GFCCVEGCSA-N 375.378 -0.343 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CCN1C1CC1 1592672700 MTLOKNRJXRZMRE-AWEZNQCLSA-N 398.402 -0.179 30 20 GBED N#CCNC(=O)CN1CC[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC[C@H]21 1592678520 ZTEBKPDGNQWDGS-SMDDNHRTSA-N 383.416 -0.629 30 20 GBED N#CCSCC(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)c(F)c1 1592679149 HGFVBQOYNKMDLN-LLVKDONJSA-N 379.421 -0.171 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)c1cnn(C)c1 1598453296 ZGBQEZHKDMQYTJ-NSHDSACASA-N 375.410 -0.042 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2 1781267050 KFFCHJLWKWAJHU-SFHVURJKSA-N 381.429 -0.586 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782641007 PJEMFKBBVZDWDF-GOSISDBHSA-N 388.380 -0.967 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1782841503 FSBFBFOLEGWFNY-OXJNMPFZSA-N 383.404 -0.059 30 20 GBED Cc1nccn1CCCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567642 UQLYCQCWZDTQOQ-IBGZPJMESA-N 388.424 -0.110 30 20 GBED Cc1cc(C(=O)NCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)no1 1786368457 NBBNLYXFQIYBNF-YDHLFZDLSA-N 389.412 -0.394 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccnn3)[C@H]2C1 1787118149 QRBKDDDOWUMWNQ-UGUYLWEFSA-N 377.445 -0.151 30 20 GBED NC(=O)c1ccccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078087 IMSIBHCRTUKEDY-RCBQFDQVSA-N 399.403 -0.533 30 20 GBED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnnn1)C2 1793349111 GYBMYKGRQFMKSA-XOIINTDNSA-N 378.433 -0.755 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(C)(C)O 1795362463 ZNUIJRYIEYFUKK-IDZYNVOGSA-N 379.457 -0.405 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(C)(C)C 1795561825 NMCARSJGCWYLPK-GZHYHUHOSA-N 392.500 -0.178 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)NCC(C)C 1796462779 UMYYBLQJLKITCS-LVQVYYBASA-N 381.473 -0.061 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2 1797708445 ZESZDSKRDMMFFT-RGHULWKBSA-N 397.472 -0.788 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1800451823 KQNLTJPJDAQCCD-HLPPOEQASA-N 394.472 -0.549 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1829718528 SZLUTMVJGRJERD-LJQANCHMSA-N 395.525 -0.095 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CS(=O)(=O)CC)CCO2 1831344362 CGYLUWUQLPYFGK-KRWDZBQOSA-N 386.470 -0.709 30 20 GBED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)n(C)n1 1833442722 PMODJZFKACOWMS-QGZVFWFLSA-N 377.401 -0.588 30 20 GBED COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1833861286 BCQOJVFDIXRWJL-QGZVFWFLSA-N 377.401 -0.588 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837249543 GZCIUCLFTSNOQD-SFFCAUCYSA-N 390.440 -0.419 30 20 GBED N#CCC(=O)N1CCC(OC2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1837636215 NVDXUPREROCHOA-UHFFFAOYSA-N 396.488 -0.815 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CN)C2)C1 1839174474 FIHGNRWJHLORJJ-BEFAXECRSA-N 397.472 -0.453 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839235279 QRGKTUAMQJVISH-YJBOKZPZSA-N 393.444 -0.674 30 20 GBED C[C@H](C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)[C@H]1SC(=N)NC1=O 1843409034 MAWBWXWRWIJEJA-JOYOIKCWSA-N 378.410 -0.920 30 20 GBED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847449342 YNPKMQGYZSGYRC-AGIUHOORSA-N 381.429 -0.585 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2ccc(=O)n(C)c2=O)cc1 46103550 AGGCYRDKJXKAEU-UHFFFAOYSA-N 392.437 -0.008 30 20 GBED Cn1c(=O)c2c(ncn2CC(=O)N(CCC#N)Cc2ccccn2)n(C)c1=O 264029784 KIGLHVUHXBQGDM-UHFFFAOYSA-N 381.396 -0.229 30 20 GBED CCn1cc(/C=c2/s/c(=C(\C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)cn1 264934750 QJNSJSJJQFLWMN-PZJGXPBYSA-N 387.465 -0.539 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CCN(C)C2CCN(C)CC2)C1=O 264935797 UHQFBTXUXXGGKS-UHFFFAOYSA-N 379.461 -0.552 30 20 GBED COCCNS(=O)(=O)c1c[nH]c(C(=O)NC[C@H]2CCCN(CC#N)C2)c1 268805555 FDWOZWRUNOJBHY-CYBMUJFWSA-N 383.474 -0.095 30 20 GBED Cn1ccc(N2CCC[C@H](/N=C(/O)N3CCc4c(ncn(C)c4=O)C3)C2=O)n1 330059198 KOCDUFSHYVJOAU-ZDUSSCGKSA-N 385.428 -0.019 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)ccc1C#N 349536369 LDOCPGXKFXNLEY-CHWSQXEVSA-N 388.471 -0.164 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)OCC(F)(F)F)CC1 374223312 WQFWRWRHWZPRIT-UHFFFAOYSA-N 378.351 -0.441 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)Nc1cnn(CC(=O)N2CCN(C)CC2)c1 410162156 PCNWHUIQSVHZPG-ZDUSSCGKSA-N 383.478 -0.595 30 20 GBED CN(C)C(=O)[C@H]1CN(C(=O)CSCC#N)CCN1C(=O)CSCC#N 434259107 FSQHQZORTJCVQA-GFCCVEGCSA-N 383.499 -0.372 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCSC[C@@H]3CO)n2)cc1 440673797 QGBDCBYQNDSTKK-AWEZNQCLSA-N 386.437 0.073 30 20 GBED COc1ccc([C@@H](C#N)N2CCN(C(=O)Cn3ccc(=O)n(C)c3=O)CC2)cc1 505742682 VOAAXGSPQKPQHT-QGZVFWFLSA-N 397.435 -0.035 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCNC(=O)c2cnccn2)cc1 514695974 LTTSCMLYJKDDIH-UHFFFAOYSA-N 388.409 -0.827 30 20 GBED N#Cc1ccc(NC(=O)CCN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 533520144 UZQAUDIZBMIWKV-SJORKVTESA-N 392.481 -0.026 30 20 GBED CCCN(CC(=O)NC)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 565903286 GJLDMIVAIABVNH-UHFFFAOYSA-N 388.471 -0.365 30 20 GBED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCCCC#N)C1 571668501 YXDXTFUTHZBWAM-CQSZACIVSA-N 388.490 -0.305 30 20 GBED CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cn1 592301804 NHPUHLYHRWLBAB-KRWDZBQOSA-N 377.401 -0.003 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 596749245 PTYQSCIBRZAADH-IACUBPJLSA-N 394.457 -0.620 30 20 GBED N#C[C@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 597744311 QZNNYSAPFRTNDN-NWDGAFQWSA-N 382.398 -0.004 30 20 GBED CCS(=O)(=O)N(C)CCCNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 598977860 PAAVRDBUIMKLNH-UHFFFAOYSA-N 398.445 -0.942 30 20 GBED Cc1cc(C(=O)O[C@@H](C)C(=O)N(C)CCC#N)nc2c1c(=O)n(C)c(=O)n2C 738860427 MUETYLDDSPXXQZ-NSHDSACASA-N 387.396 -0.142 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745442756 BBQJHKQRRYCUDM-ZJJIEKDWSA-N 393.396 -0.519 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OCCOC)cc2)c1=O 758074650 BCLUQEZKYDSDHI-UHFFFAOYSA-N 397.456 -0.183 30 20 GBED CN(C)CCN1CCC(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)CC1 787137128 NTYFQKTYVQFIAL-UHFFFAOYSA-N 387.488 -0.376 30 20 GBED C=CCN1CC[C@H](OC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1=O 798656124 QJDLRCGZDSYHMS-SJCJKPOMSA-N 379.413 -0.068 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)n2cnc3c(N)ncnc32)CC1 826555837 VTHOECBUUXDWGC-CYBMUJFWSA-N 384.444 -0.747 30 20 GBED C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)N=c1nc(C)[nH]n1CC 848960667 GHVKFQIZBZRGGW-NSHDSACASA-N 377.492 -0.557 30 20 GBED C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)N=c1nc[nH]n1C(C)(C)C 848961155 QVLUPAZVOLPGIR-GFCCVEGCSA-N 391.519 -0.130 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnc3n2CCCC3)CC1 906963763 XEKSQHIFSYDUPE-UHFFFAOYSA-N 379.486 -0.335 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](OC)C1 943094617 FLQRTXXKQXAHFW-APIJFGDWSA-N 393.440 -0.638 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@@H]1O 964476511 JUYDVCSPBXWJHI-IVSAIRAKSA-N 378.429 -0.532 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1OCC 983194624 OVTQBZMYXCIUKV-APIJFGDWSA-N 392.460 -0.215 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ncn(C)c1=O 997943361 LUJKKGYBYAGRKK-MDLJMBGESA-N 389.456 -0.189 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 1022392288 VFPWPVPQGQDCEM-YJNKXOJESA-N 390.440 -0.421 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cccnc3)C[C@H]2O)nn1 1023770697 AKMBZLICWXMYGA-KLZNWCGWSA-N 382.424 -0.036 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(CNC(C)=O)o2)C1 1024679489 NQFYESBTFJMQLJ-FPCVCCKLSA-N 391.424 -0.192 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(Cc3nc(CC(=O)NC)no3)C[C@H]21 1076263545 HFKXSLCODHSTTI-YJNKXOJESA-N 389.456 -0.018 30 20 GBED N#CCOc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)cc1 1077669749 KQHKTODCRVOZSN-WCXIOVBPSA-N 388.424 -0.717 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(CC(=O)NC)[C@H]2CS(=O)(=O)C[C@H]21 1094634820 ICLGTMNYTFJHGO-BARDWOONSA-N 385.486 -0.977 30 20 GBED N#CCCN(CCN1CCOCC1)c1nnnn1CCCN1CCOCC1 1119720111 ABULWCAIAFTXQF-UHFFFAOYSA-N 378.481 -0.552 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCC(O)(CO)CC3)CC2)cc1 1261606008 XSVUHFWSSKXFRZ-UHFFFAOYSA-N 386.452 -0.452 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CC1 1262510272 IZKDVTHXWBOARP-UHFFFAOYSA-N 387.502 -0.202 30 20 GBED CN(C)C(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1314639300 KVULWMJXSFNWPI-CHWSQXEVSA-N 396.473 -0.613 30 20 GBED Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)n(CCC#N)n1 1319350290 QVBLLWUBUJTNSS-LBPRGKRZSA-N 382.446 -0.416 30 20 GBED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 1320869507 YHDKDSBPDYWUFR-ZDUSSCGKSA-N 377.449 -0.492 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 1323701992 YGYUOJTUHRHCHS-NWDGAFQWSA-N 380.488 -0.825 30 20 GBED CCO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@@H]1OC 1323808689 RGERGJVSHBUVPB-INMHGKMJSA-N 387.440 -0.090 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2C[C@H](C)N(CCOC)[C@H](C)C2)CC1 1326544074 FATXBNSLBBEJLM-IYBDPMFKSA-N 392.500 -0.458 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCOC(F)(F)F)CC2)c1C#N 1326685708 YGOSBYQJLSDQHC-UHFFFAOYSA-N 388.350 -0.099 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H](N)CCO3)C2)nn1 1327404864 BYLKLYLSBILNDE-LZWOXQAQSA-N 376.461 -0.175 30 20 GBED C=CCN1CCC(NC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC1 1330114639 SSFWRHJXBWZWHG-UHFFFAOYSA-N 387.440 -0.393 30 20 GBED C#CCCCCNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 1342363469 PGRKJFSWBWINNH-UHFFFAOYSA-N 395.481 -0.165 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1346544924 XRMWPAAUDTZNGK-GOSISDBHSA-N 398.463 -0.298 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[nH]n2)c(C)n1 1573286877 JNRXXYRSBWTYHM-KGLIPLIRSA-N 385.428 -0.070 30 20 GBED C#CCN1CCN(C(=O)[C@H]2CCCN(C(=O)[C@H](C)OCc3cnn[nH]3)C2)CC1 1574986222 WIHHGSQAIPWKJX-HOTGVXAUSA-N 388.472 -0.274 30 20 GBED CC#CCCCC(=O)N1CCC[C@](CO)(NCC(=O)NCc2cnn[nH]2)C1 1575117357 LVVVFZDKOPZFHM-SFHVURJKSA-N 376.461 -0.442 30 20 GBED C#CCN(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CCN(C[C@H](O)COC)CC1 1588348846 QKHWHYZGCLMPPD-HNNXBMFYSA-N 387.444 -0.258 30 20 GBED C=CCC1(C(=O)NC[C@H](O)CNc2cncc(-c3nn[nH]n3)n2)CCOCC1 1588553356 MKJBQGJHFPRZQO-GFCCVEGCSA-N 388.432 -0.081 30 20 GBED C=CCCO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 1588608818 QVRGXEHHJACPPP-PXAZEXFGSA-N 388.432 -0.305 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588665364 JWAOHCDEXWAYHV-CMPLNLGQSA-N 377.405 -0.665 30 20 GBED C=CCOC[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O 1588853891 KRCDHKCXCOIJGU-LBPRGKRZSA-N 381.410 -0.113 30 20 GBED C=CCO[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 1609058816 XSWDVVVLNZISGH-CYBMUJFWSA-N 392.441 -0.052 30 20 GBED CNC(=O)CN1CCN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)CC1 1609288550 XMYNHNSOJPNOPT-OAHLLOKOSA-N 382.428 -0.561 30 20 GBED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nc(N)n[nH]3)C[C@@H]21 1786704405 OWXJQMDSUNPEKM-AVGNSLFASA-N 375.433 -0.397 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21 1788572644 MKFDEEVPGBIVSE-VGWMRTNUSA-N 391.472 -0.169 30 20 GBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCS3(=O)=O)[C@H]2C1 1790750881 OXFBTJWSYSNTJZ-YHUYYLMFSA-N 382.482 -0.043 30 20 GBED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CNC1=O 1793760503 SAOKJCHTMWIQBK-JLUCKKNBSA-N 398.485 -0.918 30 20 GBED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2 1795276338 SSGCNRIGZLTTPU-CCWDJLKJSA-N 380.404 -0.496 30 20 GBED CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)CC1 1795417873 JKGBURHJSRKSGN-HGKCTWBKSA-N 391.472 -0.956 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1=O 1795450815 IWJGAEJRZVWLPY-ZXFNITATSA-N 394.472 -0.001 30 20 GBED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCNC2=N)c1 1795580954 ILGDXKJHKJEILX-ALXJQNPVSA-N 396.451 -0.399 30 20 GBED N[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)c1cccnc1 1795682096 LXKVYJLIGKAZBI-NXEZDXNNSA-N 386.408 -0.851 30 20 GBED CCN(CC)C[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800226969 ZADGOACDPOSAQJ-AFIMGQEJSA-N 379.457 -0.358 30 20 GBED CN[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1)C(=O)O 1822200702 QTJIQDQMQVYRIN-NEPJUHHUSA-N 391.384 -0.448 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834230051 IJPSQRWJFPMHFU-BEFAXECRSA-N 390.440 -0.472 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1834758678 UMKXOQZLXSYCSS-LPHOPBHVSA-N 387.440 -0.158 30 20 GBED COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835348284 UITFRAYORGNXFI-KRWDZBQOSA-N 380.401 -0.897 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835407100 JYCPPVSVMGZEBJ-LJQANCHMSA-N 392.456 -0.385 30 20 GBED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1837663330 WXYDTBADIDENFD-IBGZPJMESA-N 395.504 -0.082 30 20 GBED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1)C(F)(F)F 1839892573 UXUFIVGTBYIZIG-CQSZACIVSA-N 393.366 -0.956 30 20 GBED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CN(C)C1)CCO2 1840568609 FATAHFMKQLORPV-HXUWFJFHSA-N 395.500 -0.013 30 20 GBED CN1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1840573017 DLYQNXXFKDJZFJ-LJQANCHMSA-N 376.457 -0.302 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H](O)NC(=O)OCC)C2 1841054897 PPRBARRDGALFFM-XHPSBEMXSA-N 394.428 -0.887 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2 1844239067 MPXNJTDLXQSJHG-OAHLLOKOSA-N 383.489 -0.951 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21)c1cc[nH]n1 276613948 PYHYTLYJWUJBRX-KGGZIVLKSA-N 377.401 -0.037 30 20 GBED CN(C)C(=O)Cn1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 289807242 NRRXUIWXWTYSTF-UHFFFAOYSA-N 390.425 -0.240 30 20 GBED N#Cc1cc(NC(=O)C(=O)NCCN2CCNC(=O)C2)ccc1Br 293753382 OHKZYJSGOOBKRX-UHFFFAOYSA-N 394.229 -0.193 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)N2CCCCO2)n1 349458532 FIQJJSQWKDKGAM-UHFFFAOYSA-N 377.448 -0.219 30 20 GBED CC1(C#N)CN(S(=O)(=O)CCCS(=O)(=O)N2CCCn3ncnc32)C1 349476729 PMXHWALUWPUMMT-UHFFFAOYSA-N 388.475 -0.617 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(C#N)C1 349482400 RLAPKHCMEPXHAQ-UHFFFAOYSA-N 379.423 -0.131 30 20 GBED C[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)[C@H]1CO 349496049 OXLGTFJUYBIMMC-STQMWFEESA-N 381.520 -0.027 30 20 GBED COC1(C)CN(S(=O)(=O)CCCS(=O)(=O)Nc2nn(C)cc2C#N)C1 349530177 XXXWEQAOAPMGIA-UHFFFAOYSA-N 391.475 -0.526 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)C1=O 378321354 SPKGIUPHUZWYIY-GJZGRUSLSA-N 391.472 -0.552 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@H](O)[C@@H](CO)C3)CC2)c(Cl)c1 410900003 ORWIGUJOPIWFED-CJNGLKHVSA-N 392.843 -0.328 30 20 GBED COc1ccnc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)n1 425898094 LCTLLPMOCNLNDY-UHFFFAOYSA-N 381.396 -0.283 30 20 GBED N#CCNC(=O)CNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 505853558 PAMWSCQQKBMICX-JTQLQIEISA-N 380.382 -0.958 30 20 GBED NS(=O)(=O)CCN1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 528422818 LIBSYCZRGAXZJD-UHFFFAOYSA-N 390.465 -0.808 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)n1 536974968 DYCIWZYYFTUSEL-LBPRGKRZSA-N 396.473 -0.012 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCCNC1=O 572899714 IRUWALUYDXPJLY-NSHDSACASA-N 380.492 -0.814 30 20 GBED CN(CCN(C)C(=O)Cn1cnc(C#N)n1)CCN1C(=O)c2ccccc2C1=O 588867450 VRSHLDUADTWHFJ-UHFFFAOYSA-N 395.423 -0.164 30 20 GBED C[C@H](N)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)CCO1 595990373 QHRFBBZGSPNWBD-GXTWGEPZSA-N 377.470 -0.157 30 20 GBED N#Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)c(F)c1 610426292 PNVIOLRSABKFGG-UHFFFAOYSA-N 380.357 -0.016 30 20 GBED C[C@@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(CN2CCOC[C@H]2C#N)C1=O 736224668 UQISNXYQAXNMIR-DYVFJYSZSA-N 382.384 -0.184 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCC[C@H]2C2OCCO2)c1=O 742148965 CPZBZKUFMGOCDN-AWEZNQCLSA-N 378.429 -0.271 30 20 GBED COC(=O)c1cc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)cn1C 745936307 JIGBRYOXGJRVES-BUHFOSPRSA-N 382.398 -0.384 30 20 GBED COC(=O)[C@@]1(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCOC1 755737110 OEXPQQCAMRXMTI-MRXNPFEDSA-N 381.410 -0.437 30 20 GBED C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)[C@H]1CCCO1 772891233 TWDRGSVPWAMIKT-GOEBONIOSA-N 381.454 -0.043 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 778913915 FNCVBEJRDWTVPV-SNVBAGLBSA-N 386.430 -0.168 30 20 GBED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CCN1CCCS1(=O)=O 781597814 MPSAERFETVEUPE-UHFFFAOYSA-N 375.403 -0.072 30 20 GBED CCOC(=O)c1cnn(C)c1NC(=O)COC(=O)[C@H](C)n1cnc(C#N)n1 798746042 NUQIEHIJKCSIMX-VIFPVBQESA-N 375.345 -0.197 30 20 GBED CCN(CCC#N)S(=O)(=O)NC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 805077543 AMTFOGPOGVJRFE-UHFFFAOYSA-N 375.451 -0.469 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@H]1CCCO1 809304694 OQANFFCOABLBFA-ARFHVFGLSA-N 376.457 -0.952 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)[C@H]1CCCO1 809312838 QAQBSARFZQNVAJ-DLBZAZTESA-N 390.484 -0.704 30 20 GBED C=CCC(F)(F)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 815646115 ALBJWIMUKQEFHB-LBPRGKRZSA-N 379.429 -0.355 30 20 GBED C[C@@H](CC(=O)N1CC(S(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 837151857 JHVPGVPDTNTYPS-JTQLQIEISA-N 385.467 -0.241 30 20 GBED C#CC[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 837942236 CMXHYMLFRSBJOZ-ZDUSSCGKSA-N 383.382 -0.104 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 853977592 QDADUBAKLUWNFD-UHFFFAOYSA-N 382.508 -0.843 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccnn2C)C(C)C)CC1 894365026 XDUICGHJPUMLME-OAHLLOKOSA-N 396.517 -0.046 30 20 GBED CC(C)NC(=O)[C@H](C#N)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 916951523 ITAPZNULGUJVJA-CQSZACIVSA-N 392.437 -0.346 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnnc(O)c2)C[C@@H]1O 964192770 DSOYJHZPGGMPOO-FQLMCAECSA-N 376.413 -0.145 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2cc(C3CC3)nn2)C1 966330103 XUVHBTGOSIDJDY-SIXLDLHFSA-N 389.456 -0.175 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 982154426 HCPARQJOEDHRPZ-DGAVXFQQSA-N 378.429 -0.470 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 990878004 GVUXMJKOXPCPII-LOUJCGABSA-N 390.444 -0.607 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCC(=O)NC1=O 1006192304 FOEQCDCHWNNBQZ-ZSAUSMIDSA-N 390.440 -0.233 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2cnnn2)[C@H](C(F)(F)F)C1 1008869753 URZCJOBIRSHBMV-KKOKHZNYSA-N 388.350 -0.230 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cnccc2OC)C1 1024385871 NSYDKWJKVABGIK-FPCVCCKLSA-N 375.425 -0.088 30 20 GBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C[C@H]1c1cn(C)cn1 1130592891 JTBBTEYSJNOMSJ-XLMAVXFVSA-N 388.516 -0.054 30 20 GBED CN(CCS(C)(=O)=O)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1322426546 APLLGZWELHRNKY-UHFFFAOYSA-N 393.469 -0.459 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CC[C@H](CN2CCCC2)C1 1323421968 UOBNGYXVNYACBW-UPTRSRDDSA-N 389.456 -0.427 30 20 GBED CS(=O)(=O)CCNC(=O)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1325771665 OZZUJAZSRDEORU-UHFFFAOYSA-N 394.453 -0.080 30 20 GBED C#Cc1ccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)nc1 1328830935 OVYAOJJTHMJBRZ-OAHLLOKOSA-N 390.465 -0.876 30 20 GBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 1332609691 CUCAPRZJPDAEQQ-IACUBPJLSA-N 395.437 -0.081 30 20 GBED COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1346503574 NTFVWWOFBCKXMU-LBPRGKRZSA-N 381.410 -0.071 30 20 GBED C[C@H](C#N)C(=O)N1CC[C@H](N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 1571205717 KYHRCBVQAKRCMZ-OLZOCXBDSA-N 382.432 -0.461 30 20 GBED C=CCOCC(=O)N1CCC[C@@H](N(CCO)c2cncc(-c3nn[nH]n3)n2)C1 1573343750 RXSZVDBKNBAWRJ-CYBMUJFWSA-N 388.432 -0.351 30 20 GBED C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNCC 1574621848 DOHGDOAODUWMFK-HNNXBMFYSA-N 394.501 -0.707 30 20 GBED C=CCNC(=O)Cn1c(N2CCC(C(=O)NC)CC2)nnc1[C@H]1C[C@@H](N)C1 1574936044 GQWPHJPDGLAZEI-OKILXGFUSA-N 375.477 -0.253 30 20 GBED C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1575249525 YVBMLHCLWBMPMM-ABAIWWIYSA-N 383.412 -0.046 30 20 GBED C#CCN(C(=O)CC(N)=O)C1CCN(c2ncc(-c3nn[nH]n3)cc2F)CC1 1588348423 VKKIHEMQHLPOAT-UHFFFAOYSA-N 386.391 -0.293 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(CCO)CCNc1ccc(-c2nn[nH]n2)cn1 1588352078 CLXUPYDFDCGKCY-HNNXBMFYSA-N 384.444 -0.408 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C1 1588355553 JTOUXAAMRIVBLI-MJBXVCDLSA-N 382.428 -0.020 30 20 GBED C=C[C@H](C(=O)NC[C@H](O)CN=c1cc[nH]c(-c2nn[nH]n2)n1)c1ccccc1 1588467684 MTSJQRNVILMBBF-KGLIPLIRSA-N 380.412 -0.063 30 20 GBED CC(=NNC(=S)NCCN1CCOCC1)c1cc(-c2nn[nH]n2)ccn1 1588776374 KBBCZIKERZAWON-UHFFFAOYSA-N 375.462 -0.218 30 20 GBED N#CCSCC(=O)N[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2F)C[C@@H]1O 1592679024 CTSXFMICOHLZPG-MNOVXSKESA-N 378.393 -0.677 30 20 GBED C=CCn1cc(C(=O)N2CC[C@@H]2CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 1602882886 ZFTRKHHGEXAGJR-LLVKDONJSA-N 382.388 -0.383 30 20 GBED C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)O)C1 1602925098 PKVOHOVLCYFQRG-NWDGAFQWSA-N 397.457 -0.259 30 20 GBED N#Cc1cc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)c[nH]1 1606359874 HGPUUHDGWMELFG-GFCCVEGCSA-N 380.372 -0.508 30 20 GBED C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](n3cc(C(=O)O)nn3)C2)C1 1609407258 WLUOPZKLDJQTFR-QWHCGFSZSA-N 377.401 -0.057 30 20 GBED CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CCC#N)C(=O)O)cc1 1777035706 PWYUABRJLRIWEH-LBPRGKRZSA-N 375.428 -0.028 30 20 GBED COc1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(F)c1 1783557810 QWRDRCFUKGWNRE-GOSISDBHSA-N 391.355 -0.239 30 20 GBED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)C(O)O)CCO2 1785377883 UNWKJFDBJWKDRA-SFHVURJKSA-N 375.381 -0.922 30 20 GBED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N)N1CCN(C)CC1 1792633418 PZFQKWVPCUOBQB-WCXIOVBPSA-N 391.516 -0.238 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC)C(=O)O 1795641996 FMZVSZOXEPIBOT-JTTNIQEDSA-N 397.472 -0.788 30 20 GBED C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2)[C@@H]1SC(=N)NC1=O 1796879177 VACAKRGALDGZIO-JVWRJRKNSA-N 392.437 -0.485 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)CC[C@H](N)C(N)=O)C2)CC1 1809818697 FFXKZIMXUWGHSJ-HOTGVXAUSA-N 392.500 -0.151 30 20 GBED CC1(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)COC1 1833143421 RIXFSZSLMDNLHJ-UHFFFAOYSA-N 377.441 -0.318 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833876103 GLUASLBAIINVGG-ACJLOTCBSA-N 395.481 -0.226 30 20 GBED Cc1cc(C)n(CC(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)n1 1834756161 MRNOVXWXMJRQGW-GOSISDBHSA-N 375.429 -0.130 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCO2 1839881416 VZGIGHUEQPDRFY-HNAYVOBHSA-N 379.457 -0.229 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1840043963 FJRBHYSMCJLYJB-JFIBYHEFSA-N 394.424 -0.918 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1840170411 DNTCEFSQWQQSSG-GOSISDBHSA-N 381.429 -0.398 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCCOC3)CCO2)C1 1840871984 FCCSSKAPFJAALR-FUHIMQAGSA-N 394.468 -0.092 30 20 GBED N#Cc1cccc(CS(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 265628974 SHIGQMJODPEKPD-JKSUJKDBSA-N 399.494 -0.525 30 20 GBED CN(C)S(=O)(=O)C[C@@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)C(F)(F)F 286561178 KUKSIUNJOALEGE-MRVPVSSYSA-N 383.352 -0.810 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CC[C@H](OC(=O)N(C)C)C1)c1cc[nH]n1 296473033 QOZGTJMUJQGIMC-FXONDUCNSA-N 381.389 -0.007 30 20 GBED C/N=C(/O)[C@@H]1CN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CCO1 329286873 HARUFVHPHXPYHX-CABCVRRESA-N 382.461 -0.487 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCN(C)[C@@H](C)[C@@H]1C 349600955 DGOWVETZOIUXOP-IHRRRGAJSA-N 380.536 -0.048 30 20 GBED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1CC[C@@H](O)C12CCCC2 349604375 DQIDVKFPJOWBSU-CYBMUJFWSA-N 379.504 -0.081 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)n1 378424936 SDCFWDHGPFMZKP-HUUCEWRRSA-N 388.472 0.506 30 20 GBED CC(C)N1CCC(N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)CC1 409478501 MWNNEICRCOFTPP-QGZVFWFLSA-N 385.534 -0.054 30 20 GBED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C2CCC2)c1=O 430983550 FZICFLSUNMQUQM-UHFFFAOYSA-N 399.476 -0.270 30 20 GBED COC(=O)[C@@]1(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCOC1 446713642 YSCZMFAPKOFBFH-MRXNPFEDSA-N 381.410 -0.141 30 20 GBED N#CCNC(=O)CNC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 511915576 HRCNPTNBWKOEHF-UHFFFAOYSA-N 393.469 -0.080 30 20 GBED CC[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C(=O)N1CCOCC1 527807773 DSRORQBPNNWKDD-ZDUSSCGKSA-N 390.400 -0.976 30 20 GBED CN(CCNc1c(C#N)c(=O)n(C)c(=O)n1C)S(=O)(=O)c1ccc(F)cc1 563527232 JROOWRXWDVZMOW-UHFFFAOYSA-N 395.416 -0.173 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CC(=O)N(C)C2)cc1 568252584 XYJNTIHQCYPOKL-UHFFFAOYSA-N 386.455 -0.359 30 20 GBED C[C@@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(CC#N)CC#N)c2)C[C@H]1O 594631990 VLQJQONYEXXANA-IUODEOHRSA-N 398.466 -0.274 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 602259987 XWKZUTDPKDNYTB-GFCCVEGCSA-N 389.378 -0.286 30 20 GBED N#CCCN1CCN(C(=O)C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)CC1 602265418 ZZPFRNVTNVFWGL-ZWKOTPCHSA-N 391.516 -0.072 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)COc2ccc3c(c2)CCC(=O)N3)CC1 728532587 CWBHODYJHYUCLZ-UHFFFAOYSA-N 384.436 -0.156 30 20 GBED CCN1CCC[C@H]1CN1C[C@@H](C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)CC1=O 736572514 UZBUOTHJWKBCFO-QWRGUYRKSA-N 398.431 -0.267 30 20 GBED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCc1noc(CCC(=O)O)n1 739142528 ORJXLVIFUUZKOM-UHFFFAOYSA-N 394.365 -0.020 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CS(N)(=O)=O)cc1 769589922 WEVXEPUEXNFODP-CQSZACIVSA-N 399.494 -0.119 30 20 GBED CCNC(=O)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1 769780627 DNXYCLYGHBYODD-JTQLQIEISA-N 382.398 -0.386 30 20 GBED CN1C(=O)CCc2cc(C=c3sc(=C(C#N)C#N)n(CC(N)=O)c3=O)ccc21 774542587 WHCAHEVTYPCNAV-UHFFFAOYSA-N 393.428 -0.669 30 20 GBED C=C(Br)CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 786113650 SLUZGXDOIZAKLL-UHFFFAOYSA-N 387.238 -0.433 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[C@@H]1CCCO1 817838839 SVVOFYHSKDJSKM-HIFRSBDPSA-N 387.396 -0.065 30 20 GBED NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N[C@@H]3CCCN(O)C3=O)CC2=O)c1 820476246 JSFPSHLDSQCWGP-ZWNOBZJWSA-N 396.425 -0.817 30 20 GBED C#CCNC(=O)c1ccccc1NC(=O)c1nc(N)nc(N2CCOCC2)n1 845309003 GQYZCXGPNAEYGV-UHFFFAOYSA-N 381.396 -0.094 30 20 GBED N#Cc1cccc([C@@H]2CN(C(=O)NCCOCCS(N)(=O)=O)CCO2)c1 854137539 DEWYINBCFXUQIZ-HNNXBMFYSA-N 382.442 -0.054 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)C[C@H](OC)C2CCCC2)CC1 872515421 MWWHOLDFFNFTLP-HNNXBMFYSA-N 393.531 -0.393 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)nc1 998955088 UMQFIRCRQDBXCQ-YYESSZKYSA-N 382.420 -0.043 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnc3c2CC(=O)N3)C1 1024751732 GPPSOTPFIGFXFJ-NGFQHRJXSA-N 386.408 -0.531 30 20 GBED C#CCNC(=O)CC(=O)N(C)[C@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)C[C@@H]1O 1048714635 JGTNPHRMWUSZFI-KSWRQPAISA-N 375.469 -0.018 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COC1CCN(C)CC1 1111196996 DBMGRSBHCKMCHR-AHCXZYCDSA-N 376.501 -0.043 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)[C@@H]1CCCO1 1117580327 CXPZMJAWECTUJB-IRXDYDNUSA-N 384.436 -0.269 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(N3CCN(C)CC3)CC2)C1=O 1119108911 QBZQWUAGKRBQFO-UHFFFAOYSA-N 377.445 -0.798 30 20 GBED C=C(C)[C@H]1OCC[C@H]1Cn1nnnc1N1CCN(S(=O)(=O)N(C)C)CC1 1120114397 JAKMXGUDTOMGKR-UONOGXRCSA-N 385.494 -0.417 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c(F)c1 1262493026 VKWVOEFTKAMEQN-CYBMUJFWSA-N 394.428 -0.351 30 20 GBED CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1322696385 WEOGEYQMBPAFNU-ZFJMLOBGSA-N 376.413 -0.441 30 20 GBED N#Cc1ncn(CCNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)n1 1322829657 DFURWWLMWAKIBC-UHFFFAOYSA-N 391.404 -0.287 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CCO1 1324148788 PYVVFNHXXBYXPP-OAHLLOKOSA-N 392.437 -0.406 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCC2(S(C)(=O)=O)CCCCC2)nn1 1330638521 MEIIHWWVGDCAJU-UHFFFAOYSA-N 383.474 -0.056 30 20 GBED C#CCSCCNC(=O)C(=O)NC1CCN(S(=O)(=O)CCC)CC1 1332762296 WEZDSKYAZCYDMT-UHFFFAOYSA-N 375.516 -0.211 30 20 GBED CN(C)S(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)n3C)n2C)CC1 1346300238 GTORPFOHENXWHY-UHFFFAOYSA-N 378.462 -0.379 30 20 GBED C#CCOCCC(=O)NCC1(O)CN(Cc2cc(-c3nn[nH]n3)ccc2F)C1 1573290296 VJQFSWLKMMWANZ-UHFFFAOYSA-N 388.403 -0.291 30 20 GBED C[C@@H](C#N)C(=O)N1CC2(CC[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)O2)C1 1573561893 OIZDOQIENIQHGJ-CMPLNLGQSA-N 384.400 -0.156 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2COCCN2)nnc1N(C)CCNC(=O)C(C)C 1574936192 HQORAVYNGKTZDP-AWEZNQCLSA-N 393.492 -0.550 30 20 GBED C#CCOCCC(=O)N1CC[C@@H]2CN(C(=O)[C@H](C)OCc3cnn[nH]3)[C@@H]2C1 1575014199 XWTWFBPXRJHAQO-SQWLQELKSA-N 375.429 -0.191 30 20 GBED CN(C[C@H](O)CN(C)c1cnc(-c2nn[nH]n2)cn1)C(=O)c1cc(C#N)c[nH]1 1579027921 KIFKELCSOZVFJZ-LLVKDONJSA-N 382.388 -0.574 30 20 GBED N#CCSCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 1581858471 HURWYFOLPAXAKL-CMPLNLGQSA-N 390.429 -0.857 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1588351240 KSIPEJJLPRDFQA-HNNXBMFYSA-N 382.428 -0.423 30 20 GBED C#Cc1ccccc1CC(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[nH]n1 1588376896 MFYOVFNHJXZABL-AWEZNQCLSA-N 378.396 -0.230 30 20 GBED C=C(C)CN1CCC(NC(=O)CCn2cc(-c3nn[nH]n3)c(O)nc2=O)CC1 1588430069 LNFSYMHSKMDHEW-UHFFFAOYSA-N 388.432 -0.324 30 20 GBED C=CCCn1cc(C(=O)N[C@H]2C[C@@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)C2)nn1 1588620855 KEMBOHGECYSUAJ-PHIMTYICSA-N 381.404 -0.381 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CN=c1cc(C)[nH]cc1-c1nn[nH]n1 1602794333 KEJXBEWVCYUXAY-SJKOYZFVSA-N 375.433 -0.450 30 20 GBED C[C@@H](CC(=O)N1[C@H](CO)CC[C@H]1CO)/N=C1/NS(=O)(=O)c2ccccc21 1627687489 MDOJTEAYFSFZGT-AVGNSLFASA-N 381.454 -0.152 30 20 GBED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1779074927 FEVNJMSMSNLPFH-VQIMIIECSA-N 394.424 -0.276 30 20 GBED N#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)C=CC2=O)C1 1782314408 NVZRBGYGXMKWIP-AUUYWEPGSA-N 388.424 -0.271 30 20 GBED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1786705760 AWONADLKIPGNKH-ZQDZILKHSA-N 383.470 -0.153 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1 1788654270 BNSGZFQMVTXNQR-LLYLOPHFSA-N 395.500 -0.171 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCOC1)C2 1792491345 NRKCSNMQPVTIMX-KJSVGROVSA-N 391.468 -0.139 30 20 GBED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@@H](N)C(N)=O)C2 1796044996 JVXRXTPPHHZCIS-LXTVHRRPSA-N 392.504 -0.501 30 20 GBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cc(C)on1 1797832019 WSXJXJRJOMKMLO-ZSBFGKGUSA-N 388.424 -0.284 30 20 GBED N=C1NCCN1CC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812876127 CAMWPITYFUSODF-RDTXWAMCSA-N 398.423 -0.985 30 20 GBED CN1CCCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830775035 HAOJWNYEHNKGIW-HNAYVOBHSA-N 393.440 -0.985 30 20 GBED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1836347564 JBODIWWNNNVNSD-SFHVURJKSA-N 393.444 -0.143 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncon3)CCO2)C1 1838314276 SZPSTAYWJUDTRB-GUYCJALGSA-N 378.385 -0.822 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1840172404 LCIGESGUHNIGJH-IBGZPJMESA-N 381.473 -0.259 30 20 GBED CN(CC(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2)C(=O)C(=O)O 1845809956 NTUWPMGHMVPZOU-UFWORHAWSA-N 390.396 -0.555 30 20 GBED C#CCNC(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H](C)O 18955859 IVPNMVQSAZMVTR-CZUORRHYSA-N 382.438 -0.376 30 20 GBED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)c1 254384226 RPWCFUGPNRUNIM-UHFFFAOYSA-N 385.445 -0.183 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@H]2C(=O)N[C@H](C)CC)C1=O 264229607 WDBRZTNDUKSTAL-MNOVXSKESA-N 382.442 -0.221 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSCC(N)=O)CC2)cc1 265035426 LBQQCLFKCLWPTD-UHFFFAOYSA-N 382.467 -0.390 30 20 GBED COC(=O)C[C@H]1C(=O)NCCN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 280448283 YQMZIRXWFFIPHD-AWEZNQCLSA-N 389.412 -0.039 30 20 GBED CCNC(=O)C(C)(C)CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 288567016 AWZMJGHLSNASGJ-UHFFFAOYSA-N 386.456 -0.120 30 20 GBED CCN(C/C(O)=N/[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2cnn(C)c2)C1=O 329001308 VYLUQPMFQKXHPZ-OCCSQVGLSA-N 383.474 -0.009 30 20 GBED CN1CCN(c2ncccc2CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409561113 JJYKPNWAMFHOER-HNNXBMFYSA-N 380.474 -0.608 30 20 GBED COC(=O)[C@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)Cc1ccc(O)cc1 410117269 MFILWUUACVKHRZ-DZGCQCFKSA-N 383.426 -0.217 30 20 GBED CCCC[C@H](CN)NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 420145202 NGSDWPRIVWWRQI-CQSZACIVSA-N 375.477 -0.118 30 20 GBED C[C@@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 435201313 GAPFQVIEICONSE-BBATYDOGSA-N 387.371 0.478 30 20 GBED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1 440286840 YYDKVPNPITYXDU-CYBMUJFWSA-N 395.441 -0.178 30 20 GBED Cn1c(N2CC[C@](C)(NCC(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 440647575 HSYNMECHOFREQL-SFHVURJKSA-N 377.445 -0.144 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@H](C)N(CC(=O)NC(=O)NCC=C)[C@H](C)C1 499744610 UWXJJWFPRWJSRZ-OKILXGFUSA-N 394.476 -0.595 30 20 GBED C[C@H](Cn1cncn1)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 565228768 LRXNPJJWHSRQJV-LLVKDONJSA-N 384.443 -0.553 30 20 GBED N#CCC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 566440995 YGXUSRHKIUBNGN-UHFFFAOYSA-N 395.397 -0.542 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(C)C2=O)cc1 575137592 APSJORHENBMJBH-GWCFXTLKSA-N 386.455 -0.614 30 20 GBED N#C[C@@H](C(=O)Cc1cnn(-c2ccccc2)n1)C(=O)N1CCS(=O)(=O)CC1 732911086 WVICJVFEORWNOP-HNNXBMFYSA-N 387.421 -0.224 30 20 GBED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCS(=O)(=O)NCC)cc1 737196014 PABNAEVAZCTXGF-UHFFFAOYSA-N 397.457 -0.012 30 20 GBED N#CCN(CC(=O)O)C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 739087851 PJJONGMBSRPIKP-UHFFFAOYSA-N 385.373 -0.103 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)NC)CC1 803936721 MTOZXAKOLPMFFX-JTQLQIEISA-N 376.435 -0.894 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ccnn1C)[C@H]1CCCO1 848964167 KHKPHHNASBZGQS-QWHCGFSZSA-N 390.487 -0.348 30 20 GBED CC(C)(C(=O)O)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 864158616 CUYYFEQMARIWTA-UHFFFAOYSA-N 394.453 -0.268 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)cc(F)c2)CC1 872515749 VACSIXWQAFGAIK-UHFFFAOYSA-N 375.447 -0.092 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)Cc3n[nH]c(C)n3)C[C@@H]21 960978820 SWWFFFRIBCEWOJ-CBBWQLFWSA-N 375.429 -0.315 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CCC)nn2)C[C@@H]1O 964614054 VFOVLJLVORNYOD-VDERGJSUSA-N 377.445 -0.029 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc3[nH]nnc3c2)C1 967267612 HUHYSGRRGASBEF-ATGSNQNLSA-N 386.412 -0.364 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@@H]1O 970707884 YCPSFQOITOLDHI-NCOADZHNSA-N 379.457 -0.476 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cn1 1000439561 OOEMNQAFGYKPEH-JSRQGNBESA-N 382.420 -0.043 30 20 GBED C=CCCOCC(=O)NC[C@@]1(O)CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1040160110 AXGCXRYUDPFNMH-BVYOLEPJSA-N 382.457 -0.290 30 20 GBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@@H]2Cc3cncn3C(=O)N2)nn1 1055487979 LRGOBJDDIBJWGM-RZFFKMDDSA-N 378.396 -0.047 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(C)(C)N1CCOCC1 1109843617 USXUMWVUILOGKD-YVSFHVDLSA-N 376.501 -0.043 30 20 GBED O=C(NCCO)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1119041751 UYDRSQUZHQIEMO-UHFFFAOYSA-N 394.453 -0.928 30 20 GBED C#CCOCCNC(=O)C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O 1261142199 RTOCVKDCDDCDTI-INIZCTEOSA-N 389.408 -0.309 30 20 GBED N#CC1(c2ccccn2)CCN(C(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 1261163546 SASJABYGORZQEX-ZIAGYGMSSA-N 385.424 -0.386 30 20 GBED CC1CCN([C@@H](C)CNC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1321914701 ZKFXIKYYQBDQQR-VUAZUDAXSA-N 391.472 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C=CCCO[C@@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588609244 VUEGYEUHGPYAKI-GDLCADMTSA-N 389.416 -0.523 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 1592674198 AHJDVXBGLVTIBQ-OAHLLOKOSA-N 391.413 -0.978 30 20 GBED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC1(C(=O)O)CC(CO)C1 1601268642 LBZVKWARXPZQGQ-UHFFFAOYSA-N 395.437 -0.153 30 20 GBED N#Cc1c(CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cccc1C(=O)O 1608190253 BIARTZMSQQQSKX-JKSUJKDBSA-N 379.438 -0.468 30 20 GBED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786704384 NTGOKKWIEOKVLQ-AJNGGQMLSA-N 379.461 -0.023 30 20 GBED CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1788562336 NGPBZCFUBVPLSJ-QPSCCSFWSA-N 391.472 -0.023 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](S)C(C)C 1793381534 XEYMTDCPLUZBQP-NDKCEZKHSA-N 386.518 -0.023 30 20 GBED C[C@@H](Nc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777297 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286429777 GJOVSRZFDPIUGB-UHFFFAOYSA-N 388.472 -0.248 30 20 GBED N#Cc1ncn(CCNC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)n1 287920106 QVARAQVRPGZKMK-MRXNPFEDSA-N 397.439 -0.081 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCn4cnnc4C3)C2=O)cc1 288878880 LXIVXMGRSAFBHZ-HNNXBMFYSA-N 393.407 -0.196 30 20 GBED CS(=O)(=O)N1CC[C@H](C/N=C(/O)N[C@@H]2CCCN(S(C)(=O)=O)C2)C1 328774336 DYBXIQZLYFAGPS-VXGBXAGGSA-N 382.508 -0.805 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 349479312 UPJNWHLJFJZRFL-AVGNSLFASA-N 392.503 -0.719 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2CO)n1 349519717 PSFYMUDGBZONAJ-LBPRGKRZSA-N 391.475 -0.790 30 20 GBED CN1CCN(S(=O)(=O)CCCCS(=O)(=O)N(C)CC#N)C(C)(C)C1=O 349610473 JWARALHZUGIWBJ-UHFFFAOYSA-N 394.519 -0.566 30 20 GBED N#CC1(NS(=O)(=O)c2ccccc2S(=O)(=O)NC[C@H]2CNC(=O)C2)CC1 516315838 UHVSAIDHXBLIHI-LLVKDONJSA-N 398.466 -0.565 30 20 GBED CN(CC(=O)N(C1CC1)[C@H]1CC(=O)NC1=O)S(=O)(=O)c1ccc(C#N)cc1 524276061 PIQIFHUKBXJXHK-AWEZNQCLSA-N 390.421 -0.415 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)c(F)c1 544668335 MWOWWHCIEASMLU-LLVKDONJSA-N 376.435 -0.109 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3COCCO3)CC2)c(F)c1 551526168 FBMHYHGHKPVGOO-AWEZNQCLSA-N 376.388 -0.122 30 20 GBED CCN1CCN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)[C@@H](C)C1=O 563604957 GXVPPQVEHNFBJD-NSHDSACASA-N 375.433 -0.666 30 20 GBED COC[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCO1 587653732 JNLZXCSXKSFHAM-INIZCTEOSA-N 387.440 -0.088 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)CC1 588128106 YVXHGIFKOGISRA-DLBZAZTESA-N 377.489 -0.150 30 20 GBED COC(=O)Cn1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 589327355 XWDICBQYVZPQBZ-UHFFFAOYSA-N 377.382 -0.155 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1 589397911 IIMXGULGVHGKKB-DLBZAZTESA-N 392.481 -0.106 30 20 GBED CCN1CCN([C@H](C)CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 733162635 QEQKLVYSJIERSX-CQSZACIVSA-N 393.513 -0.133 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)CC1 742290767 SEVSKFYZNXBANV-UHFFFAOYSA-N 392.481 -0.275 30 20 GBED C=CCNC(=O)CNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 776964452 AEWIBAMGDDFGRL-UHFFFAOYSA-N 391.453 -0.235 30 20 GBED C#C[C@H](NC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CCCO1 804005317 XUCHHCNZAVVLLM-ZWKOTPCHSA-N 398.463 -0.252 30 20 GBED CC[C@@H](NC(=O)C(=O)NCCNc1ccc(C#N)cn1)C(=O)N1CCOCC1 807776480 ARKDEKFECLJVLK-CQSZACIVSA-N 388.428 -0.765 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1)[C@H]1CCCO1 809313799 VFBCHOFJGCHOSX-VNQPRFMTSA-N 376.457 -0.905 30 20 GBED CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCCNC(=O)C1 848959626 NLGNGAKBNIRICF-LBPRGKRZSA-N 380.492 -0.908 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 850711389 SXUBXCVUWBTVBJ-UHFFFAOYSA-N 387.440 -0.673 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cn3ccccc3n2)CC1 891561909 NJNRZMLYPMBVLO-UHFFFAOYSA-N 376.442 -0.371 30 20 GBED CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 921172210 GDCWHAROWKWBRN-SNVBAGLBSA-N 382.398 -0.121 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2cn(C)c(=O)nc2O)C[C@H]1C 994648363 SUMXXESARCARLB-BHPKHCPMSA-N 390.440 -0.099 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)cn2)C1 1024407929 XTXVKNMRMYPRGH-XZDPQHSOSA-N 388.424 -0.537 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CO)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1080876447 CKTGRODRSLWPMV-KBXIAJHMSA-N 379.457 -0.441 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CNCC(=O)N2CCNC(=O)C2)C1 1106752816 MSIGKFLDIOGPHF-JEWRLFTDSA-N 392.500 -0.390 30 20 GBED CN1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 1117036070 MIYSDARGGBDHFT-KRWDZBQOSA-N 383.452 -0.058 30 20 GBED C#C[C@H](NC(=O)C(=O)N(CCCOC)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 1117580322 CTWYYZRJTNPRQP-KKUMJFAQSA-N 386.470 -0.664 30 20 GBED C[C@@H]1CN(C)C[C@H](C(=O)NCc2nc([C@H]3CC[C@@H](CNCC#N)O3)n[nH]2)O1 1130790128 IZZHJEVLWGHKTJ-XJFOESAGSA-N 377.449 -0.527 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCOCCN(C)C 1323575101 XRNYMMDYOIDRIE-CQSZACIVSA-N 389.460 -0.920 30 20 GBED CO[C@@]1(CNC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CCOC1 1327440594 VOURONAZUCSHPD-FZKQIMNGSA-N 388.428 -0.693 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1330238500 AHFBGFRPUUGKRQ-HOTGVXAUSA-N 394.472 -0.320 30 20 GBED CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)NCc2cccc(OCC#N)c2)C1 1332792507 GCMRHTJVIMWZKN-ZDUSSCGKSA-N 380.426 -0.645 30 20 GBED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1 1344758202 QVZFQDHGQVGSNJ-KDOFPFPSSA-N 397.451 -0.864 30 20 GBED C#CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H]2CCCCO2)CC1 1575005092 URODFHSPOHEOOV-KRWDZBQOSA-N 388.472 -0.084 30 20 GBED CN(C[C@@H](O)CN(C)c1nccnc1C#N)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1579032339 XGUHYGRWJJDJMV-NSHDSACASA-N 382.388 -0.574 30 20 GBED C#CCOCCC(=O)N1C[C@H]2C(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C1 1588360247 MDVUTLDAWCZZJT-KBPBESRZSA-N 383.412 -0.331 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588722199 VNDMWRSYWKGGCX-ZRJCITRHSA-N 387.400 -0.913 30 20 GBED O=C(CNc1ccc(-c2nn[nH]n2)cn1)NCCN/C(O)=C1\N=CC=CC1=O 1592879679 UAGHBXMTNOCAGC-JQIJEIRASA-N 383.372 -0.684 30 20 GBED O=C(NC[C@H]1CN(C(=O)C#CC2CC2)CCCO1)c1ccc(-c2nn[nH]n2)[nH]1 1593043947 BGGJXKPLFSAFDU-ZDUSSCGKSA-N 383.412 -0.045 30 20 GBED CN(CCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C(=O)C#CC1CC1 1604764059 DEXDNWZOLOYUFI-UHFFFAOYSA-N 381.444 -0.350 30 20 GBED CN(C)C(=O)CCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1766859790 MBSQMINZQHQYPS-CQSZACIVSA-N 389.460 -0.002 30 20 GBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1783047387 BDDFNVQADDWVPA-HXUWFJFHSA-N 384.436 -0.005 30 20 GBED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOC3=O)[C@H]2C1 1784276981 XRQIXEOAZQOMNL-IHRRRGAJSA-N 378.429 -0.032 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccnn3)[C@H]2C1 1787118151 QRBKDDDOWUMWNQ-VGWMRTNUSA-N 377.445 -0.151 30 20 GBED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)S)C[C@@H]21 1788776577 DWIIWQOCSMXNCK-PSWFKFNGSA-N 387.502 -0.565 30 20 GBED N#Cc1cc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(O)O)C[C@@H]32)ccc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c1cc(=O)n2[nH]cnc2n1 1795732850 PAJYVMZFEWNEBA-DRXBFXEBSA-N 384.396 -0.966 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1797704183 KVFOPZZLKWPQMO-OWVAZHOYSA-N 393.484 -0.325 30 20 GBED O=C(Cn1nccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1799408862 NELUPJYAJMKJSP-XEMDLRDOSA-N 379.420 -0.081 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC2(CCCN(C(=O)CC[C@H](N)C(N)=O)C2)CC1 1809818696 FFXKZIMXUWGHSJ-CVEARBPZSA-N 392.500 -0.151 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CC)NC(C)=O)CCO2 1829864414 GGMFDNXFOKIXCP-QFBILLFUSA-N 379.457 -0.229 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CC)CCO2 1831193385 RQVQOOXSWAJJNW-BEFAXECRSA-N 379.457 -0.229 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)CC1 1835344474 HDFOFEIMIFSTKK-QGZVFWFLSA-N 376.369 -0.246 30 20 GBED CN(C)C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1835428231 BGKJFEUYUNZIPD-OAQYLSRUSA-N 399.447 -0.417 30 20 GBED N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 275979897 VWSANZWYNPSKGS-SNVBAGLBSA-N 375.772 -0.681 30 20 GBED C#CCNC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 276327220 QTLHRXGFJWNOAZ-UHFFFAOYSA-N 380.426 -0.130 30 20 GBED COCCN1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1=O 282334761 BGTQUUYPJPWWLX-LBPRGKRZSA-N 380.426 -0.500 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)[C@H](C)C1=O 349475706 NNCOEVRGQFQTKR-NWDGAFQWSA-N 380.492 -0.910 30 20 GBED C[C@H]1CN[C@H](C)CN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 418967830 SPCPNIFYJSLFKX-KEYYUXOJSA-N 383.452 -0.016 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@H]3CN)CC2)c1C#N 423719277 COBAKECXAQMHOF-CZUORRHYSA-N 387.488 -0.165 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cc(C(N)=O)no1 426777175 LFZICLQXOJURKK-SECBINFHSA-N 377.382 -0.372 30 20 GBED COC(=O)Cn1cc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cn1 462284256 TWGRQIKXRIIEAD-UHFFFAOYSA-N 385.446 -0.707 30 20 GBED COCn1nccc1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 480342934 PUFNKPMZMPSKGH-UHFFFAOYSA-N 379.446 -0.089 30 20 GBED N#CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 511911805 VVXTZZMBTHDJHH-UHFFFAOYSA-N 379.442 -0.517 30 20 GBED C[C@H](C#N)CNS(=O)(=O)c1ccccc1S(=O)(=O)N=c1nc[nH]n1C 526951525 VXEPAAGIUGBUNW-SNVBAGLBSA-N 384.443 -0.524 30 20 GBED C=CC[C@@H](CO)CNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 538221749 HXZQVRZMJPZZFM-OLZOCXBDSA-N 381.454 -0.012 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C(N)=O)ccc1-n1cc(C)cn1 543529783 RCBSBQQRUJSJDR-UHFFFAOYSA-N 384.396 -0.363 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(=O)O)C[C@H]2C(N)=O)c1 548250591 QMEBVVVMQMHFFJ-JSGCOSHPSA-N 395.437 -0.058 30 20 GBED C=CCNc1nnc(S(=O)(=O)[C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)s1 555468862 FZRCPRAEEGHONK-UWVGGRQHSA-N 387.487 0.022 30 20 GBED CCS(=O)(=O)N1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 555800066 YHPMTKMKRAOWRM-UHFFFAOYSA-N 376.438 -0.059 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCN4CCCC[C@H]34)CC2)c1C#N 560029595 QZMIYRBKURLNPY-IAGOWNOFSA-N 399.499 -0.008 30 20 GBED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CC(C)(C#N)C2)CC1 566416474 HMQJDCZJDRILFA-UHFFFAOYSA-N 381.458 -0.030 30 20 GBED N#CC1(NS(=O)(=O)c2ccc(S(=O)(=O)NC[C@@H]3CNC(=O)C3)cc2)CC1 577650618 ZVFWJBFDWUJRJR-NSHDSACASA-N 398.466 -0.565 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 592300067 VZIOQMXOZHAMND-IBGZPJMESA-N 385.424 -0.566 30 20 GBED COC(=O)[C@H]1C[C@@H](O)CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 592904418 AMCGNYXYYZAHCU-QWHCGFSZSA-N 381.410 -0.781 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3c[nH]nc3C2)cc1 594629690 URHFKEJMFLRSQM-UHFFFAOYSA-N 381.439 -0.041 30 20 GBED CCOC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncc(C#N)s2)C1 594637090 DSCJHAAZEITDNZ-UHFFFAOYSA-N 394.500 0.197 30 20 GBED N#CCCN1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 602207646 CASHAHIVSIEHCS-KRWDZBQOSA-N 377.489 -0.242 30 20 GBED N#CCN1CCC(NC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 610478758 FHRHWUWGGCQYND-UHFFFAOYSA-N 375.433 -0.149 30 20 GBED C#CCNC(=O)CN1CCN(C[C@H](O)COc2ccc(C(=O)O)cc2)CC1 736076353 MWYVGOLMEAVAGR-INIZCTEOSA-N 375.425 -0.509 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)OC)CC1 772633432 AGXHVWKZWJQVIZ-HUUCEWRRSA-N 385.486 -0.585 30 20 GBED C#C[C@H](NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21)[C@H]1CCCO1 775327996 WSEKBNBGDPFCMC-WCQYABFASA-N 379.394 -0.461 30 20 GBED C#CCn1ccc(CN(CC)C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)n1 790117590 AMMUXTBTJUJPOJ-ZBFHGGJFSA-N 392.481 -0.100 30 20 GBED C=CCOC[C@H](NS(=O)(=O)N1CCN(C(=O)OCC)CC1)C(=O)OC 795404681 FACFZLQSOQMLFF-LBPRGKRZSA-N 379.435 -0.661 30 20 GBED O=C(CNS(=O)(=O)c1cccc(F)c1)NCCN/C(O)=C1\N=CC=CC1=O 810382415 NWGCAYGJLLBNNK-FOCLMDBBSA-N 396.400 -0.253 30 20 GBED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NS(=O)(=O)CCC#N 835409379 VFLJBNWOWQQCBH-LLVKDONJSA-N 388.446 -0.138 30 20 GBED C#CCN(C)CCCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 848930824 ZDVBAUONYYZPHW-UHFFFAOYSA-N 384.483 -0.278 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ncnn1 960429273 ARJAAMPDOCCTEU-MPTYRVRUSA-N 390.444 -0.517 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(C)cc2=O)C[C@@H]1O 964615560 YUTFYFJGJFKNLA-WCZJQEMASA-N 389.452 -0.024 30 20 GBED C=CCCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1 969318076 LNDUWIRZVBBBRJ-GFISCPRKSA-N 389.456 -0.029 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2nc(C)ccc2=O)C1 969393031 OQRCHARLXCPISO-KRXQYRFLSA-N 390.440 -0.779 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCS1(=O)=O 1006389019 MBGFJZSMUONSNY-SUJAAXHWSA-N 397.497 -0.139 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2nncn2C)C[C@@H]1n1ccnn1 1070051628 HLPIHZSBFNWRTJ-IVSAIRAKSA-N 386.460 -0.071 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnnn2CC(F)(F)F)C[C@@H]1O 1083790239 WUJCOELTBPGFEV-WYUUTHIRSA-N 390.366 -0.512 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CN(C)CCO1 1109114107 YJUXAIGEKIVUKF-LTIDMASMSA-N 377.489 -0.199 30 20 GBED C=CCN1CC[C@@H](N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CCNC(=O)COC)C1=O 1109369461 XAMYHFDIAQYLGP-FXUDXRNXSA-N 378.473 -0.353 30 20 GBED N#Cc1cn(CCNC(=O)CCN2CCN(c3ccccn3)CC2)c(=O)nc1O 1301211017 IKLKRDITWCMOPI-UHFFFAOYSA-N 397.439 -0.456 30 20 GBED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1323925853 UGOICYZZWLBQQY-OAHLLOKOSA-N 378.454 -0.086 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@H]4NC(=O)CC[C@@H]4C3)CC2)c1 1327258479 XTTHLFGGICQMKY-HZPDHXFCSA-N 396.451 -0.271 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)n(CCC#N)n1 1329819742 YJLHHFIXTUMYLH-GFCCVEGCSA-N 382.446 -0.416 30 20 GBED C=C(C)Cn1nnnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 1333942342 AHJCAQRZFJKMHB-OKILXGFUSA-N 385.494 -0.275 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1337880573 KDTJHECJBZUBOA-NSHDSACASA-N 382.467 -0.428 30 20 GBED C#CCO[C@@H](C)C(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 1573288661 XJIKMGKSHLBHHB-AWEZNQCLSA-N 384.444 -0.462 30 20 GBED N#CCNC(=O)CN1CC=C(CNC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)CC1 1577706779 SYTGREBNBCTHNN-INIZCTEOSA-N 386.460 -0.843 30 20 GBED N#Cc1ccc(C(=O)NC[C@H]2CN(C(=O)CCOCc3cnn[nH]3)CCO2)[nH]1 1577712303 HXTYFLUJHMAHFL-AWEZNQCLSA-N 387.400 -0.431 30 20 GBED CCc1nc(-c2nn[nH]n2)cc(N2CCN(CCNC(=O)[C@H](C)C#N)CC2)n1 1578594135 VICRIJNNOONAKD-GFCCVEGCSA-N 384.448 -0.383 30 20 GBED CN(C[C@@H](O)CNC(=O)OC(C)(C)C)c1cnc(C#N)c(-c2nn[nH]n2)n1 1579034562 LDNBTVZKYQDHJL-VIFPVBQESA-N 375.393 -0.150 30 20 GBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 1588353650 ZXXUNZYPNOKURA-LBPRGKRZSA-N 382.428 -0.519 30 20 GBED C#CCNC(=O)CC(=O)NCCC[C@@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588354139 GVWUSGRATWUPHP-LLVKDONJSA-N 386.416 -0.651 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2O)nc1 1602736584 ANYZXMSRSIUQHF-IUODEOHRSA-N 391.395 -0.597 30 20 GBED CCN(CCC#N)S(=O)(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1622620777 YGJJNRHUZNGLBF-UHFFFAOYSA-N 380.478 -0.066 30 20 GBED CC(C)CN1CCO[C@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1628774159 QFGGFJCJTWVHFF-CQSZACIVSA-N 378.433 -0.523 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1778969770 SDLYCMULVSXLLR-CKFHNAJUSA-N 379.457 -0.332 30 20 GBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1783045946 GTJUUOLLXJIHDG-ACJLOTCBSA-N 381.429 -0.665 30 20 GBED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3nc4ncccn4n3)CCO2)C1 1783895599 YAZSSQSSSFNZRS-ZBEGNZNMSA-N 376.442 -0.114 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnnn3C)[C@H]2C1 1785460153 XGIQZBZRGMONJF-HOSILWTGSA-N 377.445 -0.001 30 20 GBED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)C1(O)CCC1 1791073185 PSRWHISBYBSHPT-QPSCCSFWSA-N 378.425 -0.395 30 20 GBED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)N1C[C@@H]2C[C@H]2C1 1791077339 VOHKSXSUPIQIFG-NQCBRMCBSA-N 389.452 -0.606 30 20 GBED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1793383670 YNDYKFIYKNTWSC-XXUMUBMXSA-N 386.518 -0.877 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)NS(=O)(=O)CC 1793529204 JLKGDFUUBHOASO-DGXTUMSLSA-N 399.513 -0.009 30 20 GBED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795085522 RFYUTNKEXLGSGX-ZMJPVWNMSA-N 382.417 -0.667 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1cncn1)C2 1797710175 RIARZIWWLPGOQQ-IVSAIRAKSA-N 391.472 -0.169 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 1798632300 PJQYIFBPSFXSKH-DRXBFXEBSA-N 378.454 -0.108 30 20 GBED COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c(O)c1 1800777984 OOTAJJUDEMTQMY-KSPBDQMDSA-N 388.376 -0.308 30 20 GBED CC(C)(NCCC#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](N)CN)[nH]n1 1817314897 ALNJCBAXXRXHLN-GXTWGEPZSA-N 390.492 -0.030 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1832447477 YKYLUHXPGKUAKX-KDOFPFPSSA-N 399.513 -0.127 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833877765 OTGGZXJGUNBMAH-GUYCJALGSA-N 397.501 -0.161 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1836508083 JIGJOXIZXRENPN-MRXNPFEDSA-N 379.373 -0.036 30 20 GBED CC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440481 KVWMIWBPZSHNPR-OTLWHIMFSA-N 396.488 -0.315 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncccc1F)CCO2 1838251661 GCRRYOYWAGUJIA-SFHVURJKSA-N 391.355 -0.621 30 20 GBED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838773955 IXLMUOYQSRCOQJ-UHFFFAOYSA-N 376.365 -0.839 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1840159252 ZSJKGNHNNUCFFL-PXAZEXFGSA-N 397.453 -0.526 30 20 GBED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1840294682 JGOSVRNVAHCICD-LJQANCHMSA-N 379.457 -0.228 30 20 GBED C/N=C(/NCc1ccnn1C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261737286 KENGUZHEDSMIJF-UHFFFAOYSA-N 381.462 -0.369 30 20 GBED CN1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 265669806 DEPLWYKVAPSCPQ-HNNXBMFYSA-N 391.453 -0.195 30 20 GBED C#CCNc1nc(N(C)C[C@@H](C)C(=O)NC)nc(N(C)C[C@@H](C)C(=O)NC)n1 288587058 XVFWZUBEFZGXDU-CHWSQXEVSA-N 390.492 -0.447 30 20 GBED C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H](C)S1(=O)=O 291418452 ZIBVDJLTAYGNOY-RYUDHWBXSA-N 385.467 -0.129 30 20 GBED Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)no1 293021689 LJFLUSNZTVLQLY-UHFFFAOYSA-N 397.395 -0.029 30 20 GBED N#C[C@]1(F)CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2nc[nH]n2)C1 348465893 HFWQXFZJZQEDQR-LLVKDONJSA-N 380.427 -0.406 30 20 GBED C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)N[C@]1(C#N)CC1(C)C 349460175 GGQBJJDEWBZVIE-BZPMIXESSA-N 379.504 -0.227 30 20 GBED CC[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)C[C@@H]1O 349468929 WDZGGXGLYQDWCN-STQMWFEESA-N 381.520 -0.027 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccc2C#N)C[C@@H]1O 349528458 TYFHKKQTMZGQAB-AAEUAGOBSA-N 388.471 -0.273 30 20 GBED CSc1n[nH]c(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)n1 349598931 IKWMAJYVXLSOSK-UHFFFAOYSA-N 394.504 -0.166 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)Nc2cc(-n3cnnn3)ccc2F)c1=O 471244527 DTFNWXVASXKWRH-UHFFFAOYSA-N 384.331 -0.345 30 20 GBED CCOc1ccc(N(CCC#N)C(=O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 483286843 PVUSCDLRLXRKCJ-INIZCTEOSA-N 399.451 -0.025 30 20 GBED CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCC#N)c1 509018126 VHQSGIXUSRCKIG-LLVKDONJSA-N 395.441 -0.542 30 20 GBED COc1cc(C#N)ccc1OCC(=O)NCC(=O)NCCN1CCOCC1 517692336 GFXNEGKFGDSKBZ-UHFFFAOYSA-N 376.413 -0.490 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)C(=O)NCCF 569355408 KYYAWRSKCUETTC-JTQLQIEISA-N 392.434 -0.759 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](O)C(F)F)cc1 571776794 LPFDBBPOALYAQE-KWQFWETISA-N 383.398 -0.219 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN2CCC[C@H]2C1 573138571 NUIUVWMRCRUWLL-ZDUSSCGKSA-N 378.520 -0.292 30 20 GBED N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@@]2(C(N)=O)CCOC2)CC1 582368000 QQSKAPCYTXAAKT-DYVFJYSZSA-N 377.470 -0.309 30 20 GBED CNC(=O)Cn1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 582755303 MMORQHSVLRZTBR-UHFFFAOYSA-N 376.398 -0.582 30 20 GBED CN(C)S(=O)(=O)NCCNC(=O)N1CCN(c2ccccc2C#N)CC1 596614144 MRNXQWJDWDLMSG-UHFFFAOYSA-N 380.474 -0.214 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCC1=NNC(=O)C1 597664515 KCNYWHLCJJTGCX-NSHDSACASA-N 377.426 -0.003 30 20 GBED COC(=O)CN(CC#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 609992585 VMDOGHKMZOCEHG-CYBMUJFWSA-N 397.457 -0.048 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C(=O)N2CCOCC2)C(C)C)C1=O 726042451 JCRAKYMYPWILAR-ZDUSSCGKSA-N 381.385 -0.610 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCN(CC(F)(F)F)C2=O)C1=O 735716307 DKCQEQRAIPVFNY-MRVPVSSYSA-N 377.275 -0.330 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2cccc(OCC)c2)CC1 761036351 GBLLMOGWWDKWPO-UHFFFAOYSA-N 394.497 -0.213 30 20 GBED Cn1ccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(N)=O)c2=O)c1 781661127 XQAUQSAGJALRJH-UHFFFAOYSA-N 384.461 -0.004 30 20 GBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 803861703 DRKPFEPYEPCOBV-JTQLQIEISA-N 384.414 -0.593 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2cc(C(=O)O)cc(C(=O)OC)c2)CC1 833365426 IZEDPZVQQNIIPB-UHFFFAOYSA-N 395.437 -0.243 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2C(=O)O)CC1 833365509 LEPZVAAZIFJJGD-UHFFFAOYSA-N 380.426 -0.592 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)O 833366490 ZIWQLCHPVJROSX-UHFFFAOYSA-N 375.381 -0.074 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CC(N(C)C)C2)cc1 848535621 HYBCVGIFTNCJBK-UHFFFAOYSA-N 396.494 -0.231 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1C(=O)OCC1(C)C 848964423 QOXZHHPCRORWNU-MNOVXSKESA-N 381.476 -0.579 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc3[nH]nnc3c2)C[C@H]1OC 946819589 FMHNGVAFRDSCPH-REBRKWNGSA-N 386.412 -0.100 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(CCOC)nn2)C1 963079558 XONQJDSEBAPSDQ-XRGAULLZSA-N 393.444 -0.793 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)nc2OC)C[C@@H]1O 964503676 NMJSAFPMLXUBSE-ATGSNQNLSA-N 378.429 -0.289 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1C(=O)CNC1=O 1003146797 PSERGXSBVPSZHN-ZSAUSMIDSA-N 390.440 -0.233 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 1023658730 DBVIIOXLOPBOEY-LWGWVAHUSA-N 393.440 -0.805 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccoc2CC(N)=O)C1 1025333109 XVQPZMDYUBEELU-SYQHCUMBSA-N 377.397 -0.800 30 20 GBED N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C2)n1 1041384747 BYKIVDQUYJICCD-DNNBLBMLSA-N 383.412 -0.684 30 20 GBED N#Cc1cnc(N2C[C@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)c(Cl)c1 1044538632 PUIFMYLKWOIFER-MROQNXINSA-N 379.804 -0.695 30 20 GBED N#Cc1ccc(N2CCN(C(=O)[C@@]34COC[C@@H]3C4)[C@@H]3CS(=O)(=O)C[C@@H]32)cn1 1054787942 IAQDWLFKAUEVBR-PTOXDTDZSA-N 388.449 -0.196 30 20 GBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C[C@H]1C 1106753856 UALAMGGGROUGNY-YWTNHNAXSA-N 387.484 -0.278 30 20 GBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1121284191 VEAUQUOGJYLAEU-AWEZNQCLSA-N 389.460 -0.358 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)N(C)C)C1 1130038274 VUCCXJNHSPBELM-IVSAIRAKSA-N 376.461 -0.311 30 20 GBED N#CCN1CCC[C@@H](CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 1319040930 OHNJUNDBXSVXBS-ZDUSSCGKSA-N 378.454 -0.089 30 20 GBED CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1325618405 HDGRUMUQPOKGHO-UONOGXRCSA-N 396.444 -0.120 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccncc3)CC2)CCN1C1CC1 1331946521 RJLMNIMQSACOEZ-GOSISDBHSA-N 382.468 -0.075 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCOC[C@H]1c1ccco1 1346278172 UFTHPLANEKKSGP-SUQMRRJOSA-N 388.380 -0.178 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C 1588351361 QHVSZKCJRGSGII-RDBSUJKOSA-N 381.444 -0.162 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)NCCN(C)c1nccnc1-c1nn[nH]n1 1588658769 STQGPCLEQNBFQS-UHFFFAOYSA-N 388.436 -0.527 30 20 GBED N#CCNC(=O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[nH]n1 1592678286 TZBAWVGQPOXOHX-UHFFFAOYSA-N 389.319 -0.196 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(N)=O)C2 1779337062 DPZVCSLZRGYNSJ-IQUTYRLHSA-N 396.488 -0.258 30 20 GBED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2 1779417925 NSDSIHCQORHMIW-FXYIWBETSA-N 399.444 -0.660 30 20 GBED N#Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)COCCO)C3)C2)cc1 1781313110 KEIPVXCHIKNMNW-FQEVSTJZSA-N 387.436 -0.060 30 20 GBED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)C=CC1=O)C2 1782187824 PEILEVZAPAHLIS-SNUQEOBHSA-N 395.481 -0.256 30 20 GBED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3O)[C@H]2C1 1785634742 PMRYRGHCUOFPQA-UHXUPSOCSA-N 381.454 -0.003 30 20 GBED O=C(CNCP(=O)(O)O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1786789248 XVKOOPXABFNXOB-KKUMJFAQSA-N 399.384 -0.896 30 20 GBED CCCC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1788743829 JMDBSZPTPZFSGZ-AJNGGQMLSA-N 393.440 -0.641 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCOC1)C2 1795602560 RLXFSMNSXFBYRL-LVQVYYBASA-N 378.473 -0.106 30 20 GBED CN(CC(=O)NC[C@H]1CCN(C(=O)CC#N)[C@H]1c1cccnc1)C(=O)C(=O)O 1812389380 CVOBGOBLFFEZCR-CJNGLKHVSA-N 387.396 -0.456 30 20 GBED C[C@@H](CC(N)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825661599 XOPHKHHWYBZBFW-DTWKUNHWSA-N 378.410 -0.345 30 20 GBED CN1C(=O)CC[C@H]1C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825670135 CUYSREFLVAULGD-KOLCDFICSA-N 390.421 -0.236 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)C1 1829666744 LTUCUHAKDMUTQQ-SFHVURJKSA-N 375.429 -0.299 30 20 GBED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831207641 VJAHHVBTEGMBLS-FXAWDEMLSA-N 391.468 -0.229 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1834755865 FDOBAMJRRAYVEU-QGZVFWFLSA-N 376.369 -0.931 30 20 GBED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1837377557 SLFIDIQOFQPQAX-DYVFJYSZSA-N 381.433 -0.936 30 20 GBED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1837672374 IGBGTNOPHJVQBN-KDOFPFPSSA-N 380.445 -0.339 30 20 GBED N#CCCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1837793819 OMDYIURSELIHQB-INIZCTEOSA-N 393.488 -0.118 30 20 GBED C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840025233 ZXZTVBFWKSZJEA-SENNIOROSA-N 379.413 -0.464 30 20 GBED CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840157567 UTUAXHQHDDSARE-SJCJKPOMSA-N 387.502 -0.324 30 20 GBED CCN(CC)CC#C[C@@H](C)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 121373246 FQFXELGOFUACSK-CYBMUJFWSA-N 375.429 -0.289 30 20 GBED N#CCCn1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)n1 265567906 NJCYAYNDIPXSKK-LLVKDONJSA-N 378.414 -0.099 30 20 GBED C=CCN(C(=O)/C(=N/OCC(=O)OCC)c1cc[nH]n1)[C@H]1CCS(=O)(=O)C1 276504801 ACTZGYSRDZXCAM-OGAOFSLMSA-N 398.441 -0.105 30 20 GBED Cn1cc(C#N)c(=O)n(CC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1=O 295038441 WJWUFLKUGDCNBM-UHFFFAOYSA-N 396.450 -0.545 30 20 GBED Cc1nsc(N2CCN(C(=O)NC[C@H]3CC(C(N)=O)=NO3)CC2)c1C#N 297983547 MUMATCDJWGLYRB-SNVBAGLBSA-N 377.430 -0.215 30 20 GBED CN(C/C(O)=N/[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN(c2ccn(C)n2)C1=O 329007378 YGQXXIMGLVQSLZ-OLZOCXBDSA-N 383.474 -0.009 30 20 GBED Cc1ccnc(NS(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)n1 349462767 UCVHLSMWSIQPOB-UHFFFAOYSA-N 389.459 -0.793 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H]1C(N)=O 349467333 HDAUSZNKENXQQC-QWRGUYRKSA-N 386.455 -0.485 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 349472085 FQXJEWFVKPHOJF-QEHJDLSMSA-N 377.488 -0.761 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C2CCC2)CC1 349498733 DMRVPBBFKVUMMU-ZDUSSCGKSA-N 378.520 -0.292 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C)C[C@H]3CCCN3C)CC2)c1C#N 422119951 PCDAAKUULDVNTK-OAHLLOKOSA-N 387.488 -0.199 30 20 GBED N#C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CCO1 482567169 UMPNSVUOTBPEJJ-LBPRGKRZSA-N 381.414 -0.141 30 20 GBED C[C@H](C(=O)N1C[C@H](N(C)CC(=O)OC(C)(C)C)[C@H](O)C1)n1cnc(C#N)n1 487664783 BGZNJYOJGDNTLV-FRRDWIJNSA-N 378.433 -0.444 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)Cn3c(-c4ncccn4)noc3=O)CC2)o1 519961504 WGEGZWJVNIEJRC-UHFFFAOYSA-N 396.367 -0.190 30 20 GBED COC(=O)Cn1cc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)nn1 546891654 QBYBNTXHNVQHFW-UHFFFAOYSA-N 384.400 -0.250 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(Cc3nccn3C)CC2)n1 552742563 TXPUEEHBAJQDKF-UHFFFAOYSA-N 384.444 0.352 30 20 GBED COCC(=O)N1CCC(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 565640539 YVRDTZSSXVRETR-UHFFFAOYSA-N 394.453 -0.410 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC2(C(N)=O)CC2)cc1 568252600 YNVDAYDEHFCKGH-UHFFFAOYSA-N 386.455 -0.483 30 20 GBED CCCCN(CC(N)=O)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 569590083 GUAMSIZOESRQBN-UHFFFAOYSA-N 388.471 -0.235 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 581954208 NQYGCCQOOAOVJC-NSHDSACASA-N 386.455 -0.660 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 583116903 YUOCZICACSMKCH-LLVKDONJSA-N 376.464 -0.805 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CNc2ccc(-c3nn[nH]n3)cc2)CC1 735380029 BQRPLGAMDYJKQY-UHFFFAOYSA-N 396.455 -0.438 30 20 GBED COCCCNC(=O)[C@@H](C#N)C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 739144343 RSVUQNDYTXDDPR-NSHDSACASA-N 387.396 -0.584 30 20 GBED C#CCNC(=O)C1CCN(C(=O)Cn2cc(Br)c(O)nc2=O)CC1 747735034 GAPHNWHKTQGXLX-UHFFFAOYSA-N 397.229 -0.301 30 20 GBED COCC(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761038773 MTYLWDBXASPPHE-UHFFFAOYSA-N 378.360 -0.016 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N2CCN(CC)CC2)C1=O 783354235 GZPVFODHOURUSM-GFCCVEGCSA-N 380.401 -0.941 30 20 GBED Cn1c(CC#N)nn(CN2CCN(C(=O)C(=O)N3CCCC3)CC2)c1=S 794622157 ZZGWGGATWVYQKC-UHFFFAOYSA-N 377.474 -0.259 30 20 GBED O=C1CC[C@@H](OC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C(=O)N1 798565336 VNFIOSIKWRAOBX-LLVKDONJSA-N 379.394 -0.146 30 20 GBED C#CCC[C@@H](O)CNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 799074362 GTOUSUINZIXDFL-CYBMUJFWSA-N 381.454 -0.325 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)Cc2ccc(F)cc2)CC1 839529368 WDXBSNAUEHCQDY-UHFFFAOYSA-N 382.461 -0.131 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NC2(C(N)=O)CCCC2)cc1 848942294 GKFDMJVPROFZOG-UHFFFAOYSA-N 386.455 -0.435 30 20 GBED C#CCN(C)S(=O)(=O)CCCS(=O)(=O)N=c1nc[nH]n1C(C)(C)C 848961562 CBPFDZVTGTZSDE-UHFFFAOYSA-N 377.492 -0.518 30 20 GBED CCON(CC)C(=O)CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 861991385 PBTGHZOCQXGTPL-UHFFFAOYSA-N 385.384 -0.006 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 949503238 ZKNJKQONHOUKFT-TUVASFSCSA-N 377.445 -0.474 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2cccc(C)c2=O)C1 963089209 ZACBSVRSWZJGNB-NCOADZHNSA-N 389.452 -0.174 30 20 GBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@@H]2O)C1 970398747 LKZXRELNXFUEML-CBBWQLFWSA-N 379.457 -0.334 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 1022750602 MGIJXDLFTUPQBK-DGAVXFQQSA-N 376.413 -0.811 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccc(OC)cn2)C[C@H]1O 1025712531 PKXVSOGSOHYHSC-VQHPVUNQSA-N 375.425 -0.088 30 20 GBED C=CCCOCC(=O)NC[C@H]1COCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1061668611 SVYZGHHKUMSKOO-NBOOPKSLSA-N 382.457 -0.026 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@H]1C 1080599277 ZPWAEPTXMHFTIW-FSZRXZPDSA-N 378.473 -0.638 30 20 GBED CC(C)NS(=O)(=O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1116769159 AEIDJOHKJHPJKX-CQSZACIVSA-N 393.469 -0.140 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC(=O)NCC)C[C@@H]1O 1220513132 SNIFZNBKEQJELC-FQLMCAECSA-N 382.461 -0.635 30 20 GBED CN1C(=O)CC[C@H](NC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)C1=O 1261450332 YAGOSMPYZAIHSX-ZDUSSCGKSA-N 383.408 -0.271 30 20 GBED Cc1c(Br)c(C)n(NC(=O)CN2C(=O)CNC2=O)c(=O)c1C#N 1326783929 IVVVLSOHYXIDAY-UHFFFAOYSA-N 382.174 -0.279 30 20 GBED CN(CCNS(C)(=O)=O)C(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 1327306504 GKKOVLPDWRIWRH-UHFFFAOYSA-N 399.498 -0.724 30 20 GBED CC(C)[C@H](C#N)N1CCN(CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 1331109111 HYEIZGFFZDGBRY-INIZCTEOSA-N 385.534 -0.308 30 20 GBED C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 1334059626 IYSGGNDPGKVVQK-HNNXBMFYSA-N 395.485 -0.071 30 20 GBED C=CCn1c(-c2ccnn2C)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 1339898201 CVGGQZNSKDYEAM-UHFFFAOYSA-N 380.478 -0.207 30 20 GBED C#CCN1CCCC[C@@H]1c1nnc(N2CCN(S(=O)(=O)N(C)C)CC2)n1C 1339988952 AYTGKEGEWLRBNR-OAHLLOKOSA-N 395.533 -0.096 30 20 GBED CS(=O)(=O)Nc1cccc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)c1 1345825880 LPRONQCLQXVMSB-MRXNPFEDSA-N 380.426 -0.449 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 1350833290 IEHBGZJJDOIMPL-LBPRGKRZSA-N 389.474 -0.171 30 20 GBED COCCN(C)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1504854375 KQRRWRFIZCMTST-AWEZNQCLSA-N 379.465 -0.277 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nn1 1573351576 STEBWALVXXLYRP-AOOOYVTPSA-N 382.388 -0.337 30 20 GBED CN(C[C@@H](O)CN(C)c1cncc(C#N)n1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1579030631 YPGIYZJEDLRPRW-NSHDSACASA-N 382.388 -0.574 30 20 GBED N#CCSCC(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1581858526 KIDVHDDINCSYNZ-OAHLLOKOSA-N 390.429 -0.855 30 20 GBED C#CCNCc1cn([C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 1588353907 LGVCRUSSCDJEIZ-AWEZNQCLSA-N 380.416 -0.014 30 20 GBED C#CC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)O 1588413567 BGKPWDXEEVFGLJ-ZDUSSCGKSA-N 381.410 -0.623 30 20 GBED C[C@@H](NCC(=O)NCC#N)[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1589957215 BUPOJNAUYNJMEU-VXGBXAGGSA-N 385.432 -0.335 30 20 GBED COc1cc(C#N)ccc1S(=O)(=O)NCCn1cnc(-c2nn[nH]n2)n1 1605191478 XSBXKIFJFPNCPW-UHFFFAOYSA-N 375.374 -0.683 30 20 GBED N#CCc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=N)N)CCO3)C2)cc1 1781785836 RHVGGZUYOSLOAD-LJQANCHMSA-N 384.440 -0.321 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3nccn3c1)CCO2 1783561870 NFYCTEFSFDMPAN-IBGZPJMESA-N 382.376 -0.134 30 20 GBED CN1CC(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)C1 1784783358 TXIMAUUKDXNIJI-KJOZLBEHSA-N 394.472 -0.093 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cscn3)C[C@@H]21 1791076094 MLKQVZCMKCBKBY-UBHSHLNASA-N 377.422 -0.247 30 20 GBED CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1793319285 PIOLAPXILLZXSY-YWVIFJGQSA-N 394.453 -0.476 30 20 GBED Cn1ccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1794872618 XIFIXHWYGAHUPD-QDMKHBRRSA-N 388.472 -0.095 30 20 GBED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795632499 SIYHORWDONKUTI-CUZKYEQNSA-N 386.518 -0.877 30 20 GBED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795632501 SIYHORWDONKUTI-XXUMUBMXSA-N 386.518 -0.877 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O 1796343092 AELXDJMUPVSAER-NRWUCQMLSA-N 392.412 -0.318 30 20 GBED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1801165599 YLUKOHZEUJSZFG-JLVBRIDZSA-N 375.473 -0.390 30 20 GBED C#CC(=O)N1CC[C@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1809677146 FRUNGQPLLNNCLV-NQIIRXRSSA-N 397.479 -0.115 30 20 GBED CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064001 BVMHHKHISJOTNS-FZKQIMNGSA-N 380.445 -0.483 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCOC)C2)C1 1831391788 VRHMNWIIZQIMEH-LPHOPBHVSA-N 398.456 -0.856 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1831425483 UWCTWPSJZISMTK-UGSOOPFHSA-N 394.428 -0.224 30 20 GBED C[C@@](O)(CC(=O)O)CC(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835364086 KTYXXANLHDUFCO-ROUUACIJSA-N 397.428 -0.638 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835504239 LVTGECHCKUAFON-MRXNPFEDSA-N 383.474 -0.381 30 20 GBED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3nc[nH]n3)CC2)CC1 1838013096 XWMZSXHCFGGLNJ-UHFFFAOYSA-N 375.385 -0.495 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CCNC(C)=O)CCO3)C2)C1 1839882628 PLRDCXJGEJEODI-LJQANCHMSA-N 379.457 -0.065 30 20 GBED CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839882756 WPJXQUMRFKMTAB-SFHVURJKSA-N 380.445 -0.481 30 20 GBED CCc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041336 HCCZOKJBRNDBQI-SFHVURJKSA-N 391.380 -0.605 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCc2cc(C(N)=O)no2)CCN1Cc1ccccc1 287160106 MIRSPVZUUDUVRG-AWEZNQCLSA-N 396.407 -0.374 30 20 GBED CS(=O)(=O)N1CC[C@H](C/N=C(/O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 328746323 PSLJJSXXTVSVNU-KGLIPLIRSA-N 388.490 -0.495 30 20 GBED C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 349471224 UIWVESDOOBCDGI-JHJVBQTASA-N 397.544 -0.568 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCn2cnnc2C1 349474838 WJEHZIKGDGBYSW-NSHDSACASA-N 396.454 -0.327 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C)(O)C2)c1C#N 349616596 MJWSHYVTFCPKMJ-UHFFFAOYSA-N 391.475 -0.492 30 20 GBED CNS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC1 411987156 QKHAMCJHYLBHKD-UHFFFAOYSA-N 399.860 -0.047 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)NC[C@H]2CNCCCO2)CC1 420214811 KNARQOXWJMYVTN-CQSZACIVSA-N 389.431 -0.159 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nnn(C)n2)cc1 427932869 PISHAODFKZAJEB-UHFFFAOYSA-N 393.429 -0.729 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC(N(C)C[C@H](C)O)CC2)n1 439999230 ZKGFIXWIHJCRPP-ZDUSSCGKSA-N 376.461 0.578 30 20 GBED C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 498971198 YACLAHPPRGLLEC-XYPHTWIQSA-N 392.481 -0.339 30 20 GBED N#Cc1ccc(-n2ccc(=NC(=O)C(=O)NCCN=c3cncc[nH]3)[nH]2)c(F)c1 541144796 VHQHNPLXWIYBNW-UHFFFAOYSA-N 394.370 -0.316 30 20 GBED N#Cc1ccc(F)c(CS(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)c1 547930371 FTTHEUUNFWRMSG-LBPRGKRZSA-N 376.387 -0.289 30 20 GBED N#CCC(=O)N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 576408169 ALOVYUSHTIYEBD-UHFFFAOYSA-N 385.336 -0.225 30 20 GBED COCCN(C(=O)Cn1cc2c(c(C#N)c1=O)CCC2)[C@H]1CCS(=O)(=O)C1 581231141 RRFCGBJZALWHQS-AWEZNQCLSA-N 393.465 -0.129 30 20 GBED COC[C@@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@@H]1CCCO1 589143723 CGGYOKZJJMPSES-KGLIPLIRSA-N 378.433 -0.435 30 20 GBED N#CC1(NS(=O)(=O)c2ccc(S(=O)(=O)N[C@H]3C[C@H](C(N)=O)C3)cc2)CC1 600762057 CCVUJUYCIHZVMA-XYPYZODXSA-N 398.466 -0.437 30 20 GBED CNC(=O)[C@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)c2ccccc2O1 609341949 FYCIGYLDFMBDAF-MRXNPFEDSA-N 385.424 -0.369 30 20 GBED C=C(CNC(=O)C(C)(C)N1CCOCC1)CNC(=O)C(C)(C)N1CCOCC1 620749913 RQLFEMXFNKGVDX-UHFFFAOYSA-N 396.532 -0.003 30 20 GBED N#CC1(CS(=O)(=O)NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CCC1 771079586 UGPHXPHVYNPYTE-UHFFFAOYSA-N 399.450 -0.301 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCOCC1 776499137 FVYMHXCTRHYXNQ-UHFFFAOYSA-N 380.426 -0.910 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 800895684 VKRWOSSMCJXZMN-ZDUSSCGKSA-N 381.524 -0.331 30 20 GBED C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 808177690 WNEAZCANCXNGFJ-CZUORRHYSA-N 397.435 -0.141 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1 854234129 AFXIHVCHIDCJFU-GFCCVEGCSA-N 396.421 -0.177 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2OC)cn1 944084920 UVIOYHMXMZKSRO-BNEJOLLZSA-N 386.452 -0.262 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)N2CCC2)C1 1070196050 IFKQKOCAZCNOCB-NCOADZHNSA-N 388.472 -0.167 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccccc1-n1cnnn1 1110082998 AVTUXEZZQBWZHG-KMFMINBZSA-N 379.424 -0.253 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nnnn1C 1110156090 SDMNBWUBNKSEKO-AGIUHOORSA-N 376.465 -0.305 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCC(=O)NC1 1110751063 LQZSAPYURLMBIT-JJXSEGSLSA-N 375.473 -0.004 30 20 GBED C#CC[C@H](NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C)c1ccccc1 1117660412 AEGFLZIHSPRNOM-HNNXBMFYSA-N 380.470 -0.184 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NCC)C1 1130037953 DRWNDCKPLJDTIX-IVSAIRAKSA-N 376.461 -0.263 30 20 GBED CC(C)NC(=O)CN1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1322736511 XRMMDHOCYFZVPM-MSUUIHNZSA-N 392.460 -0.635 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC(C#N)(C(=O)OC)CC2)C[C@H]1C1CC1 1326549083 REFVZLKVWUJYBM-UONOGXRCSA-N 391.424 -0.051 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(C[C@H]3CCOC3)CC2)C1=O 1326818726 XOBUMAZRMDNAON-NVXWUHKLSA-N 392.500 -0.151 30 20 GBED Cn1ncc(Br)c1CNC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1329470072 OYDROKGUNLHVBC-NSHDSACASA-N 395.261 -0.002 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H]1CCCN(C)C1=O 1330396510 MSLZCVKYLIQGDV-STQMWFEESA-N 385.428 -0.878 30 20 GBED CCS(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1 1332775243 LQHQJEAEQRQSDT-UHFFFAOYSA-N 394.453 -0.323 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NC2CCN(C3CCN(C)CC3)CC2)nn1 1345688543 HHGMZCBXKMSPGO-UHFFFAOYSA-N 389.504 -0.245 30 20 GBED C=CCn1c([C@H]2CC(=O)N(C)C2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1350530587 NXQAYMWYLMYCPO-AWEZNQCLSA-N 387.488 -0.190 30 20 GBED C=CCn1cccc1C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573350275 BYRBSSYWZWDRNV-GFCCVEGCSA-N 384.400 -0.297 30 20 GBED C[C@H](C#N)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCO2)C1 1573568245 ZYXDNBGCZLJNHU-DIFFPNOSSA-N 384.400 -0.202 30 20 GBED C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O 1589897613 WUUXQKBATLRPJM-NSHDSACASA-N 394.395 -0.004 30 20 GBED COC(=O)CNC(=O)[C@H](C)OC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1591267807 IJNDJEQOSMSHFH-GXFFZTMASA-N 386.368 -0.230 30 20 GBED CN(CCC(=O)O)S(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1598471539 SNVVKNRKNJHYGG-AWEZNQCLSA-N 380.426 -0.100 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(C(=O)O)c2)CC1 1602702915 XPFJWNNDOBBGMM-UHFFFAOYSA-N 380.426 -0.320 30 20 GBED CNC(=O)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1711291213 PFBMEXFPCMDHSN-NWDGAFQWSA-N 375.433 -0.270 30 20 GBED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)COCCO)CCO2 1779018846 HLKFXBSTCMKTOW-LSCADSNKSA-N 382.461 -0.703 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](O)N4CCOCC4)C3)C2)C1 1779085555 WYSBYYRHNYJFAJ-HKUYNNGSSA-N 379.457 -0.567 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)c1 1780598706 CTHXHJVRRBXSIO-ABSDTBQOSA-N 384.436 -0.275 30 20 GBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1c(=O)n(C)c3ccccc31)CCO2 1783050667 ZEANUBFIBUZCNK-FQEVSTJZSA-N 382.420 -0.197 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc(F)c3)[C@H]2C1 1784739843 UUEWTMUKDDQLFM-IHRRRGAJSA-N 375.356 -0.098 30 20 GBED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1 1788654411 FPIXBDBVLPCOPO-BOSXTWCSSA-N 393.484 -0.580 30 20 GBED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21)[C@@H]1C[C@H](O)CN1 1789760889 IOVJIKFOSFTZKH-HVTWWXFQSA-N 397.475 -0.259 30 20 GBED C=CC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1790826367 UPEMRQXDNATOLR-AJNGGQMLSA-N 392.456 -0.270 30 20 GBED C=CC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1790830421 OWXHCBXEDBXWTA-WSRJKRBPSA-N 395.500 -0.171 30 20 GBED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=S)NCC)C[C@@H]21 1792175730 GLEYIFRSHLZXDU-KKUMJFAQSA-N 380.514 -0.137 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C\C(=O)NC1CC1)C2 1793344440 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CCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838734770 JUJZYHWNJGNDFS-SFHVURJKSA-N 376.413 -0.007 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839048463 ZELGODRABBWBCU-IBGZPJMESA-N 398.423 -0.358 30 20 GBED N#Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CN)C3)C2)ccc1F 1839186465 VMRPSYMIDNHXKF-IBGZPJMESA-N 390.415 -0.345 30 20 GBED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1839887606 BZMOSCPHLNBUAN-INIZCTEOSA-N 389.399 -0.258 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840592351 GOTTWIRJZBHPLJ-OXQOHEQNSA-N 394.468 -0.214 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1840842380 DGIGCHSDVDACRI-SFHVURJKSA-N 390.444 -0.811 30 20 GBED O=C1CN(CC(=O)N2CC3(CCCN3C(=O)/C=N/N3CCCCC3)C2)C(=O)N1 1844258416 ZASANSFNTPHTTC-DJKKODMXSA-N 390.444 -0.787 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 55820425 SEEHDPOGCDIXKY-UHFFFAOYSA-N 396.407 -0.012 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C[C@H](C)O)C[C@@H]3C)CC2)o1 249404966 WYFHNZSQXNEBKN-GJZGRUSLSA-N 390.488 -0.110 30 20 GBED CCn1c(=O)/c(=C\c2cnn(CCOC)c2)s/c1=C(\C#N)C(=O)NC1CC1 266571230 RWOVPJUWOCJQRQ-FPTVPCQBSA-N 387.465 -0.446 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(C(=O)NC)C2)cc1 274322244 AVZKUQMNFPKWJH-UHFFFAOYSA-N 394.453 -0.364 30 20 GBED C#CCOc1ccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 274686696 OMGZRNNPNQQKKH-IAGOWNOFSA-N 378.450 -0.386 30 20 GBED C[C@H](O)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 275114968 FEFYMQIGBLSFNV-UONOGXRCSA-N 380.470 -0.250 30 20 GBED CC(C)/N=C(/O)N1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 330989559 MGLXOKCVXWLVJM-AWEZNQCLSA-N 381.477 -0.031 30 20 GBED Cn1c(NS(=O)(=O)CCCS(=O)(=O)NCCC#N)nc2cccnc21 349595984 XAZVMDICQQBMJB-UHFFFAOYSA-N 386.459 -0.067 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)CN1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 372792593 GPMHPHRPZPEZAB-KRWDZBQOSA-N 377.449 -0.997 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@]2(C#N)CCOC2)cc1 478647289 DKEOBWWCRVXCDL-MRXNPFEDSA-N 381.410 -0.060 30 20 GBED COC(=O)[C@@]1(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCOC1 482863200 ZEKLOCHGGPJHNT-BDJLRTHQSA-N 381.410 -0.327 30 20 GBED CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CCO1 521696261 BDFGFZMYYNPWBQ-ZDUSSCGKSA-N 383.368 -0.949 30 20 GBED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnn2C)c1=O 523078790 REMAGLKLMUEUKC-UHFFFAOYSA-N 389.481 -0.293 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc3c(c2)CCS3(=O)=O)C1=O 531805904 CRFOGHSVHUSCAA-UHFFFAOYSA-N 391.405 -0.391 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCc4n[nH]cc4C3)CC2)nc1 551273217 VNDNRIGFQRFSQR-HNNXBMFYSA-N 379.424 -0.001 30 20 GBED COCC(=O)NC1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 589315626 GRZHOLITVIEAJB-UHFFFAOYSA-N 394.453 -0.410 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C 591333181 OFNMHZVZDCDTNY-RYUDHWBXSA-N 395.503 -0.094 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3CCO[C@H]([C@H](C)N)C3)CC2)c1C#N 591582533 BIWFLOGCSGNUIP-FZMZJTMJSA-N 392.485 -0.454 30 20 GBED COC(=O)[C@H]1C[C@H](O)CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 592907529 FBGVCESWCHRZCB-GJZGRUSLSA-N 380.422 -0.145 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(c2snc(C)c2C#N)CC1 596746962 CCSRPUZVQPTNLR-STQMWFEESA-N 399.498 -0.033 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCO)CCOCCO 600116750 NSYJKFUWMQKANV-ZDUSSCGKSA-N 385.442 -0.945 30 20 GBED C=CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 668883244 JUDDMLZPGHRDNN-DZGCQCFKSA-N 382.438 -0.204 30 20 GBED C#CCN1CCN(C(=O)CN2CCN(CC(=O)NCc3ccccc3)CC2)CC1 746500322 RZUVQRJLJZDTSU-UHFFFAOYSA-N 397.523 -0.302 30 20 GBED Cn1c(=O)c2cc(C(=O)OCC(=O)N(CCC#N)CCC#N)cnc2n(C)c1=O 746942276 FXCGLSXPECSKNA-UHFFFAOYSA-N 398.379 -0.555 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 747993387 JFCMIXYBHKUCIO-UHFFFAOYSA-N 381.396 -0.411 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)OCc2nc(CC(=O)NC)no2)c1 750320617 JNJSYISLUDBJPA-UHFFFAOYSA-N 392.393 -0.373 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)CC1 753818687 BUNPYEWQHFAWNK-CQSZACIVSA-N 382.461 -0.844 30 20 GBED COc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(OC)c1 771893187 XRUXBHTVGXYFIS-UHFFFAOYSA-N 382.398 -0.586 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 787787984 STQGAYZLPIEETC-AWEZNQCLSA-N 385.428 -0.456 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)C(=O)NCC(=O)O 827761102 UKQFCLBNWVQZCP-NXEZZACHSA-N 383.382 -0.642 30 20 GBED N#C[C@@H]1CNC[C@H]1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 834489200 KOQBHBBCFPARFO-DFBGVHRSSA-N 393.425 -0.024 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Cc2nnc(-c3ccccc3)n2C)CC1 847435973 CXWLDDJWFKAPAQ-UHFFFAOYSA-N 380.452 -0.082 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCc2cnn(C)n2)cc1 848930154 OQSRPXTYAVACMI-NSHDSACASA-N 398.470 -0.126 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2csnn2)C1 990908147 SVYTVRRTQJZNIP-RFHZTLPTSA-N 389.441 -0.097 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@H](c2cncn2C)C1 993607643 LNXKGINJAIRGGV-JLNYLFASSA-N 375.429 -0.703 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 1022151668 HMPLKHPEOVNGAW-MYPMTAMASA-N 375.425 -0.310 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)c(OC)co2)C[C@H]1O 1023942312 UFVOPRRJVPETRN-RKCSVJPLSA-N 392.408 -0.069 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3nn[nH]c3n2)C1 1024214946 ISUYUTBLZMVBHT-QZKOUSHUSA-N 386.412 -0.364 30 20 GBED N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 1309765445 IZBVXORZKLBQNB-NXEZZACHSA-N 395.256 -0.243 30 20 GBED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H](C)C(=O)NC)C1=O 1324103784 RINMJVDZBNLLHK-JOYOIKCWSA-N 391.453 -0.012 30 20 GBED CN(C)[C@@H](CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccco1 1324547107 OFMQLHOXAGHEPG-VVLLMFOMSA-N 389.412 -0.359 30 20 GBED C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1325561537 ZUKMAWLIUCEFKG-UWZWCOGJSA-N 377.445 -0.380 30 20 GBED CC(C)N1CCCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1328816144 LGQKYZKYEJXBCG-FOCLMDBBSA-N 377.445 -0.428 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)CCN1C1CC1 1329271487 BTVZXVVDUKEIMR-IAGOWNOFSA-N 375.473 -0.492 30 20 GBED N#CC[C@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 1330334470 WALTZZWWYVEWQW-MRXNPFEDSA-N 375.473 -0.095 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1330430883 RVWOMCRYKAQTDN-HNNXBMFYSA-N 380.445 -0.873 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3[C@H]4CC[C@H]3CC(=O)NC4)CC2)nc1 1331465084 SWBLNTXJRLKTQT-GJZGRUSLSA-N 382.424 -0.519 30 20 GBED CC(C)(CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)CN1CCCC1 1346277204 OEWHMNXLDXJQMW-FOCLMDBBSA-N 391.472 -0.133 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2C[C@H]2CCCC2(F)F)CC1 1355941347 VHYVFBHOJLKMMT-GFCCVEGCSA-N 389.432 -0.302 30 20 GBED COCCNC(=O)[C@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 1524678247 ZMHAZYBMIRAFHP-CYBMUJFWSA-N 398.441 -0.869 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1CCN(CC(=O)NCc2cnn[nH]2)CC1(C)C 1575012611 DOASCOGEOHPUSK-UKRRQHHQSA-N 376.461 -0.324 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN([C@@H]2CCN(Cc3cnn[nH]3)C2)CC1 1575040139 XSEGKZZBYCITLV-QZTJIDSGSA-N 389.504 -0.006 30 20 GBED O=C(CC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)C#CC1CC1)NCc1cnn[nH]1 1577766457 RTDQQNCXQOTGHD-HOTGVXAUSA-N 384.440 -0.184 30 20 GBED C=C(Cl)CN1CC(N2C[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2=O)C1 1588449466 PHOSNFGKUTWNRN-LLVKDONJSA-N 390.835 -0.038 30 20 GBED C=C[C@H](COC)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588525123 CKDKQUVTNIEYBO-CMPLNLGQSA-N 380.430 -0.149 30 20 GBED N#Cc1ccc(N2C[C@H]3C(CNC(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@@H]3C2)nn1 1606368667 BPXYSJZQDWVVJE-STQMWFEESA-N 376.384 -0.031 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782670803 KZWLRSZJYGQMDO-GOSISDBHSA-N 389.412 -0.059 30 20 GBED CN1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)CC1 1783598393 BTUFTWXYESHDRW-JYJNAYRXSA-N 377.441 -0.604 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](NC)C(=O)O)C[C@@H]21 1784501230 LVIVIKQEYBLHBJ-QXKUPLGCSA-N 397.472 -0.380 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CN)[C@H]2C1 1786779457 PKDVWHMIBTZYFZ-UMTODZBQSA-N 378.473 -0.581 30 20 GBED CCc1[nH]nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1F 1791074348 RXVIIABNUJGVIT-GVXVVHGQSA-N 392.387 -0.208 30 20 GBED Cc1cccn2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)c12 1800108003 XPGAEOLPFBMTGB-ZSBFGKGUSA-N 396.403 -0.066 30 20 GBED C[C@@H](Oc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800780957 AJILJLDGBNGNIB-ZUMXRPEOSA-N 387.392 -0.474 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)CCn2ccnn2)[C@H]1c1cccnc1 1813436865 TTWGAFBDFCTPOC-DNVCBOLYSA-N 396.407 -0.143 30 20 GBED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cc(C)c(O)nc1=O)CC2 1825029388 OKYVKKRAQUSFSL-SNVBAGLBSA-N 387.421 -0.041 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCC1)CCO2 1829867580 WKQVEHGUGMFBID-HXUWFJFHSA-N 375.469 -0.048 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1834760422 MHKUIFMDAMSQBZ-SFHVURJKSA-N 384.396 -0.287 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836064738 AHGRYKQVRUQEMP-CXAGYDPISA-N 382.486 -0.263 30 20 GBED C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1837641055 DQSOGEXFFKTPJB-QAPCUYQASA-N 390.444 -0.326 30 20 GBED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1837663331 WXYDTBADIDENFD-LJQANCHMSA-N 395.504 -0.082 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837799013 MFMWFNKARWXMCH-INIZCTEOSA-N 379.373 -0.036 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1839224744 XTJJEEORBJGMGS-KDOFPFPSSA-N 398.460 -0.668 30 20 GBED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1843326528 PNPZQKSIMKVRPM-LBPRGKRZSA-N 395.412 -0.837 30 20 GBED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCNC(=O)C2)CC1 25916801 SOWJYUKKIMHTFB-UHFFFAOYSA-N 384.396 -0.113 30 20 GBED C[C@@H](CN1CCN(C)CC1)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 268873935 DISQYMNPDNAYFS-LSDHHAIUSA-N 393.513 -0.023 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](S(=O)(=O)NCC)C2)cc1 271572392 RHJVSHUABPEELC-OAHLLOKOSA-N 399.494 -0.248 30 20 GBED COCCN1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1=O 282334759 BGTQUUYPJPWWLX-GFCCVEGCSA-N 380.426 -0.500 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](C)CN2CCN(CC)CC2)C1=O 284440129 WKUXWJYUCJPKJX-IAGOWNOFSA-N 393.532 -0.379 30 20 GBED COC(=O)c1cc(S(=O)(=O)NCCn2cnc(C#N)n2)c(C(=O)OC)s1 285571458 KIPRFCIPZQUXEO-UHFFFAOYSA-N 399.410 -0.237 30 20 GBED COC[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCCO1 289800108 RDPIJTJZJDRYIB-HOTGVXAUSA-N 387.440 -0.088 30 20 GBED C#CCO[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 294562191 WQUBKYRMEFVJNN-GFCCVEGCSA-N 392.437 -0.273 30 20 GBED CC(=O)N1CCN(CC/N=C(/O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 329739638 NNQUOBGAMGKTRG-BPKBQXTESA-N 392.456 -0.342 30 20 GBED C/C(O)=N/C[C@@H]1CN(C(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCO1 329876064 HKHCTYXXPOUODB-DXSVJQKISA-N 379.413 -0.259 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H]2OCCN(C)[C@@H]2C1 330069441 HFSTXAMUVCSWOY-MAZHCROVSA-N 378.454 -0.234 30 20 GBED N#Cc1ccc(N2CC[C@H](N3CCN(CCS(N)(=O)=O)CC3)C2=O)cc1 331680421 STCUVYMRASXXJX-INIZCTEOSA-N 377.470 -0.430 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)[C@@H](C)[C@@H]1C 349462291 LHAZKABQHBJJAI-IHRRRGAJSA-N 380.536 -0.048 30 20 GBED Cc1nc2n(n1)C[C@H](NS(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)CC2 349563031 FOVBOOUCQLTEFQ-CMPLNLGQSA-N 390.491 -0.958 30 20 GBED Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1 409542818 DQYDSERILWROSB-CYBMUJFWSA-N 388.471 -0.668 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(C(C)(C)COC)CC2)C1=O 425408315 WYDMXLFBPKXJOW-OAHLLOKOSA-N 380.489 -0.199 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ncn(CC(=O)NC)n2)c1 437306587 QERLPQFWPPDTRV-UHFFFAOYSA-N 378.414 -0.259 30 20 GBED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(C)cnn2C)c1=O 505661725 NOTZHPRSWXACBR-UHFFFAOYSA-N 375.454 -0.763 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CS(=O)(=O)CCO1 509129555 XRIDCYKEXCUPMK-STQMWFEESA-N 394.457 -0.618 30 20 GBED N#CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 511894727 DIBWGTZFGRIECU-UHFFFAOYSA-N 399.860 -0.004 30 20 GBED CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 515870070 QSLYENWRDCBJJX-CYBMUJFWSA-N 386.455 -0.612 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1 538588217 MXKHALYRNKNJTN-UHFFFAOYSA-N 394.453 -0.108 30 20 GBED CN(CCC#N)S(=O)(=O)NCC1(NS(=O)(=O)N(C)CCC#N)CCC1 551129290 HJHVRCYJHSRTTE-UHFFFAOYSA-N 392.507 -0.731 30 20 GBED CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 574415429 XKXPEWZGAMQNSY-NSHDSACASA-N 388.471 -0.366 30 20 GBED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 590986012 IEJYEKVBOMFDBP-WBVHZDCISA-N 383.452 -0.040 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C)C[C@H]3COCCO3)CC2)c1C#N 595168942 JRARHUSWRLDVLR-AWEZNQCLSA-N 390.444 -0.877 30 20 GBED N#Cc1ccc(-c2cc(N3CCN(C(=O)C(=O)NCC4CNC4)CC3)n[nH]2)cc1 595282544 RRNDKXUYZJKKHM-UHFFFAOYSA-N 393.451 -0.067 30 20 GBED C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 668883253 JUDDMLZPGHRDNN-UKRRQHHQSA-N 382.438 -0.204 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 730276722 BBNRGFFWYHFZFJ-ULQDDVLXSA-N 398.529 -0.418 30 20 GBED COC(=O)CN(CC(=O)O)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 737601857 AUVLZAQWOJCURW-UHFFFAOYSA-N 383.382 -0.799 30 20 GBED CCN1CCN(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)C1=O 756889946 GYXLXZHRGCVTJS-QWHCGFSZSA-N 393.444 -0.448 30 20 GBED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2)c1=O 758079567 OEMDZJBFRYNXPU-UHFFFAOYSA-N 379.441 -0.095 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OC1CCN(CC#N)CC1 771635916 GJLKTOIBHZCDAS-GFCCVEGCSA-N 394.453 -0.017 30 20 GBED CCOC(=O)CON=C(C(=O)Nc1cnn(CC(=O)N(C)C)c1)c1cc[nH]n1 772198224 CAIKDYCTFLORRE-UHFFFAOYSA-N 391.388 -0.383 30 20 GBED C#CCN1CCN(C(=O)CN(CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C)CC1 781351917 RCTNQIUEWBNWPP-MRXNPFEDSA-N 394.516 -0.068 30 20 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C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCNS(=O)(=O)NC(C)C 1261196790 MHOUDSLRQUCODU-CHWSQXEVSA-N 376.479 -0.968 30 20 GBED N#Cc1cc(CN2CCOCC2)cn(CC(=O)N[C@@H]2CCSC2=O)c1=O 1261597220 RMEQKIAIUKDDHW-CQSZACIVSA-N 376.438 -0.300 30 20 GBED Cc1ccc(C(=O)N(C)CCNS(C)(=O)=O)cc1S(=O)(=O)NCC#N 1321793273 ITWYPSWIBKJVLP-UHFFFAOYSA-N 388.471 -0.582 30 20 GBED N#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H](O)CN1CCCC1=O 1323896133 WQXSYYMPXWCURR-LBPRGKRZSA-N 378.360 -0.234 30 20 GBED C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC)CC1 1324007595 AUULZSWGFPLDSD-LBPRGKRZSA-N 382.490 -0.126 30 20 GBED CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CCC(C#N)(C(=O)OC)CC1 1325032314 XHZXMYBJRVOJDX-ZDUSSCGKSA-N 378.429 -0.239 30 20 GBED C=C(C)Cn1c([C@H]2CNC(=O)C2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 1343483874 JJBIYYGFTUOBBK-CYBMUJFWSA-N 397.505 -0.614 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1565049692 IMHQWZSOOIQADV-CABCVRRESA-N 379.442 -0.403 30 20 GBED C#CCNC(=O)CC(=O)N1CCC[C@@H](CNC(=O)CCOCc2cnn[nH]2)C1 1575005015 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394.476 -0.879 30 20 GBED N/C(=N/CCS(=O)(=O)N1CCN(c2ccccn2)CC1)N1CCSCC1 262004518 RBAHDMYXQORESF-UHFFFAOYSA-N 398.558 -0.103 30 20 GBED COC(=O)[C@H](N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cccc(C#N)c1 267620817 QDJRHZPOIVDCPF-YESZJQIVSA-N 393.465 -0.140 30 20 GBED CC#CCNC(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CCC)c1N 270588920 BEQVQDGHXQMSHQ-UHFFFAOYSA-N 393.444 -0.160 30 20 GBED C=CCNC(=O)CNC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 271997409 NBTWVELYDGOCKV-UHFFFAOYSA-N 385.402 -0.526 30 20 GBED Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 275486402 KCBRXJISXKWTAU-CABCVRRESA-N 399.494 -0.357 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C1=O 281853446 YDXDLQBKPXAZQH-GXTWGEPZSA-N 397.501 -0.051 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)NCCn2cc(C(=O)OC)nn2)c1 284665461 WYPGOKUNOOIUIR-UHFFFAOYSA-N 393.425 -0.041 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CCOCC2(CCOCC2)C1 349451017 BOLZLRHTHKBSGD-UHFFFAOYSA-N 395.503 -0.722 30 20 GBED Cc1nc(=NS(=O)(=O)c2ccccc2S(=O)(=O)N2CC(C#N)C2)n(C)[nH]1 349482227 QVSWJBCFSRZBHX-UHFFFAOYSA-N 396.454 -0.510 30 20 GBED N#CCc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 453604019 RGUJKXRGDRSVCX-UHFFFAOYSA-N 399.451 -0.306 30 20 GBED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccnn2C)c1=O 502057347 XKPMTZSMCCHRSF-UHFFFAOYSA-N 375.454 -0.681 30 20 GBED N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)nc1 551292780 RBHNELOHOVOTDK-GFCCVEGCSA-N 377.426 -0.035 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)cc1 556905089 ZZLFBXHJNITBLP-ZDUSSCGKSA-N 382.486 -0.053 30 20 GBED CNS(=O)(=O)CCCNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 600665995 WJIOHYOZSCONOX-UHFFFAOYSA-N 388.471 -0.534 30 20 GBED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NC1CCOCC1 728091370 AQSXUBAMPNAFHD-UHFFFAOYSA-N 381.410 -0.325 30 20 GBED CC(C)OCCS(=O)(=O)NCC(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1 748145416 KEYYBAXYMXBXTD-OAHLLOKOSA-N 383.426 -0.028 30 20 GBED CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1 750274990 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1208754166 GVUDLLMPMYXIPQ-SLBVQIDZSA-N 388.472 -0.028 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCCCOC)C[C@H]1OC 1212298034 SHQIFLOARSXYNF-WCXIOVBPSA-N 383.489 -0.064 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CCOCCNC(C)=O)C[C@@H]1O 1220512876 KSHBKYHHIQLBQC-MHORFTMASA-N 383.489 -0.328 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC2(CS(C)(=O)=O)CC2)C[C@@H]1O 1220524577 XLBXJPARJFPLKA-FZKCQIBNSA-N 386.514 -0.046 30 20 GBED Cn1c(CC#N)nn(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1=S 1256376682 MECSYKBFFHDZIR-UHFFFAOYSA-N 391.457 -0.732 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)NCCNC(=O)C2CC2)CC1 1322524156 GXYBQFBPLLXRHM-UHFFFAOYSA-N 387.415 -0.012 30 20 GBED CN(CCS(C)(=O)=O)C(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1324851336 TXUPAAGHCROFIH-UHFFFAOYSA-N 396.444 -0.151 30 20 GBED COC(=O)C1(C#N)CCN(C(=O)C(=O)N2CC[C@@H]3COC(=O)N[C@H]3C2)CC1 1326277968 OWAZLBVRKDGAJQ-NEPJUHHUSA-N 378.385 -0.751 30 20 GBED N#CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 1327317218 WKJMXDXAOWKEQZ-ZDUSSCGKSA-N 375.429 -0.912 30 20 GBED C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 1331409530 LUCGCRKLANLXNR-GOSISDBHSA-N 397.479 -0.229 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(OC)c(OC)cc2OC)CC1 1332383034 CSYDASBLYLKVJE-UHFFFAOYSA-N 397.453 -0.062 30 20 GBED N#CCCN1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 1352897991 GCDUQAWTDQPXDS-UHFFFAOYSA-N 379.486 -0.476 30 20 GBED N#C[C@@]1(F)CCN(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccccc2)C1 1356153314 KFAAUGAROKNTEX-INIZCTEOSA-N 382.417 -0.314 30 20 GBED N#Cc1cn(CC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(=O)nc1O 1445877308 IHZLXVYTBULTKG-NVXWUHKLSA-N 397.435 -0.180 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@@H]1O 1588357712 PNEHZFWDGOVJKB-HLTSFMKQSA-N 397.848 -0.319 30 20 GBED C#CCN(CC(=O)O)C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 1588402014 JAZWXZCWLGFHGU-UHFFFAOYSA-N 382.394 -0.327 30 20 GBED C#CCN(CC(=O)O)C(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1 1588402143 MGAXYARPKVMKKA-UHFFFAOYSA-N 382.394 -0.312 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CCC(=O)OC)C(=O)O)cc1 1588430964 IQKONBAEHDHZNZ-ZDUSSCGKSA-N 382.394 -0.266 30 20 GBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCO1 1588675877 KTDDXBJWKGRKGN-CYBMUJFWSA-N 389.416 -0.255 30 20 GBED C[C@H](CC(=O)N1C[C@@H](C(=O)O)C[C@@H](O)C1)/N=C1/NS(=O)(=O)c2ccccc21 1592228124 YCYIRVKWWMVKAN-GRYCIOLGSA-N 395.437 -0.202 30 20 GBED COC(=O)[C@@H]1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@H](C(=O)O)C1 1606404068 ROKDTGAFSKLGSL-NFYHWTQCSA-N 379.369 -0.232 30 20 GBED O=C(N[C@@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2)c1cc(-c2nn[nH]n2)c[nH]1 1606688660 KFIFVSNILYSALA-ZDUSSCGKSA-N 381.396 -0.292 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)N1CCN(C)CC1 1607897499 TXGLSAMRDORXOJ-CYBMUJFWSA-N 393.469 -0.885 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCC1(C#N)CC1 1609125466 AZLBJNFKYIMWTO-JTQLQIEISA-N 375.414 -0.047 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](C(=O)O)C[C@@H](O)C1 1609783035 HQQOMDYBXSKEOL-WCFLWFBJSA-N 381.410 -0.481 30 20 GBED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1778955501 VRCYUZKZZUIHJX-UGSOOPFHSA-N 377.445 -0.172 30 20 GBED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1784491495 GQQCHAVRLFHTOV-JYJNAYRXSA-N 392.460 -0.364 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCC3=O)[C@H]2C1 1786731108 ZNFQVXBRSUQWEZ-QZWWFDLISA-N 391.468 -0.373 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(N)=O)C[C@@H]21 1788576344 QJFCDKHPNQOACO-AJNGGQMLSA-N 381.473 -0.195 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077098 KMJUIMYOYQUUJE-ZQDZILKHSA-N 378.425 -0.373 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccc2[nH]ccc12 1796209007 HWJQPRQMYRGOKI-DPIQGUFMSA-N 382.376 -0.146 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC)nn1 1798368294 QVAMLPRNXMHCDJ-VWPFQQQWSA-N 388.424 -0.273 30 20 GBED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2 1800544255 UXRHDRVSTNQIEO-OPDFLTKYSA-N 389.399 -0.150 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1 1801435243 PAEQZSZRPNKJKA-LXFSFDBISA-N 378.433 -0.585 30 20 GBED N#CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1816745836 QNQQOEYKSHPVQU-CZUORRHYSA-N 376.417 -0.034 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CNC(=O)C3)sc2C1 1825203266 HWAAFKUYAMEPOZ-RKDXNWHRSA-N 376.394 -0.721 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833224850 LIXVBDUWJOBSOU-KBXCAEBGSA-N 393.444 -0.524 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncccn3)CCO2)C1 1834287772 DTCRVPJCLNPORA-BEFAXECRSA-N 388.424 -0.415 30 20 GBED C=CCC(=O)N1CCC(N2CCC(NC(=O)CN(CCO)CCO)CC2)CC1 1836535887 ROVCGYFAVREXMT-UHFFFAOYSA-N 396.532 -0.579 30 20 GBED Cc1ncsc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041438 MJKMTDNIQUYUOV-QGZVFWFLSA-N 393.421 -0.390 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCSCC3)C2)C1 1840044972 KFIAFLJTSSFXNR-GOSISDBHSA-N 396.465 -0.326 30 20 GBED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840852778 ZAZUSWMFQMWFRX-CRAIPNDOSA-N 380.445 -0.339 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)NC(=O)NCC 1847262348 PDAPBXDJXMNPSU-CRDCJKIUSA-N 391.472 -0.246 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(NS(C)(=O)=O)CC2)cc1 10667440 IBPUDZVPSQITDI-UHFFFAOYSA-N 399.494 -0.248 30 20 GBED CN(CC(=O)N1CCOCC1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 263688148 MCIMFHDRJBMNGI-UHFFFAOYSA-N 380.426 -0.846 30 20 GBED C#CCNC(=O)CN1CCN(c2ncnc3c2c(Br)nn3C)CC1 264311359 NRDPOWIWQQCWGD-UHFFFAOYSA-N 392.261 -0.003 30 20 GBED CCn1cc(/C=c2/s/c(=C(/C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cn1 264971914 ZASOOPRGMQDLCS-ZWWMINTRSA-N 399.476 -0.177 30 20 GBED COC(=O)[C@H](c1cccc(C#N)c1)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 276388783 JDMAVHXHUQFKPV-KRWDZBQOSA-N 398.423 -0.265 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CCC(=O)Nc1ccccc1C#N)C2 276394993 JQYYZMVONOIFDB-UHFFFAOYSA-N 397.439 -0.151 30 20 GBED CC(C)NS(=O)(=O)NCCNS(=O)(=O)c1c(F)cc(C#N)cc1F 277132842 JIKKZLMNFSTURL-UHFFFAOYSA-N 382.414 -0.053 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](CO)[C@@H]1CCOC1 280544561 SZNLNIYHQNFCSC-NWANDNLSSA-N 381.454 -0.014 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCN(CC)S(C)(=O)=O 285405475 ICCHUCKNAMBHEE-KGLIPLIRSA-N 375.491 -0.128 30 20 GBED C[C@H](/N=C(/O)C1CCCC1)C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 329924351 UXRXHZJHNLRFCK-CFVMTHIKSA-N 387.502 -0.176 30 20 GBED C[C@H](/N=C(/O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)c1ncnn1C 329924578 JEROTLNBMOJTTG-STQMWFEESA-N 386.478 -0.084 30 20 GBED C[C@@H]1CN(C(=O)Cn2cc(N=C(O)N3CCO[C@@H](CO)C3)cn2)C[C@@H](C)O1 330284961 YEKDGRHPKUSQSM-UMVBOHGHSA-N 381.433 -0.243 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)no1 349460375 PBXKOCRDWQKEIL-UHFFFAOYSA-N 378.432 -0.595 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(O)C2)c1C#N 349470132 XUBCCUUCHMPQRN-UHFFFAOYSA-N 377.448 -0.882 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](c2nn[nH]n2)C1 366294271 BSFIDWZTYDHTDM-GWCFXTLKSA-N 391.413 -0.662 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C(=O)CN2CCOCC2)CC1 409572986 DVUCZRNISKTINH-OAHLLOKOSA-N 387.506 -0.811 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCC(=O)N[C@@H]2CCOc3ccccc32)CCO1 409791651 AVQDFIQJYFFXNS-GXTWGEPZSA-N 380.426 -0.315 30 20 GBED Cc1nn(C)c(N2CCN(CC(=O)NCCCN3CCCC3=O)CC2)c1C#N 472154069 KCLRQZXAMGZCJP-UHFFFAOYSA-N 387.488 -0.149 30 20 GBED COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)C1=O 500374585 CSWMSXLYMOJRLY-ZDUSSCGKSA-N 376.344 -0.084 30 20 GBED CN1C[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)NC2(C#N)CC2)CC1=O 520611951 WOUDHBZIKRGVIO-LLVKDONJSA-N 398.466 -0.470 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](OCCO)C3)CC2)o1 547749903 YAWKPWNNPUZWQG-HNNXBMFYSA-N 377.445 -0.023 30 20 GBED N#Cc1c(Br)cccc1S(=O)(=O)N(CC(N)=O)CC(N)=O 550825007 XOPIPGRABKUQCH-UHFFFAOYSA-N 375.204 -0.718 30 20 GBED C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1ncc(C#N)s1 594636239 XMYFDEMYYWIQGT-NXEZZACHSA-N 394.500 -0.069 30 20 GBED N#CCCN1CCN(C(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)CC1 602229399 PLLGLXOHCYLOLI-UHFFFAOYSA-N 398.511 -0.017 30 20 GBED CN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 603837072 YFUJQVYVKJRGGM-UHFFFAOYSA-N 391.497 -0.361 30 20 GBED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 604506457 IBEBVCPXSOBFSB-UHFFFAOYSA-N 379.442 -0.244 30 20 GBED C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC(=O)NCCOC)CC2)C1 658812078 VBCLGWXSRWBTQB-MRXNPFEDSA-N 380.489 -0.292 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1=O 726042694 MFLCFGIRFYOEPD-PIGZYNQJSA-N 378.385 -0.051 30 20 GBED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2CC(=O)NCCOC)cn1 726113001 QJVGKAIVWSEXKM-GFCCVEGCSA-N 396.473 -0.267 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC1 747994095 XXUVFQQFUYHNOB-UHFFFAOYSA-N 397.435 -0.197 30 20 GBED Cn1nccc1[C@@H]1CCCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 790297610 NRODAWJKPKWDRJ-LLVKDONJSA-N 394.457 -0.190 30 20 GBED C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1nnnn1C1CC1 791226748 AJARFIQZLSJKHT-VIFPVBQESA-N 375.414 -0.076 30 20 GBED C[C@]1(c2ccccc2)NC(=O)N(NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1=O 800130050 CLKHLQLREJSJTR-SWLSCSKDSA-N 379.398 -0.573 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)[C@H]1CCCO1 809304357 IPZKZLCEIPLQLE-HUUCEWRRSA-N 385.424 -0.874 30 20 GBED C[C@@H](CC(=O)O)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 827361421 AESBXNAYSOCANN-LBPRGKRZSA-N 394.453 -0.268 30 20 GBED N#C[C@@H]1CNC[C@@H]1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 843458829 AFKFSQCMGDEKTK-OCCSQVGLSA-N 394.453 -0.256 30 20 GBED C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccccn2)CC1 848962799 XRRQEWQRCKWVRG-UHFFFAOYSA-N 386.499 -0.206 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 962960224 QFHAQEODZHCPKG-KRXQYRFLSA-N 375.425 -0.483 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C[C@@H]2O)nn1 964299534 LQUIVMRAJVRDKP-JHNDHUHGSA-N 389.456 -0.029 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccnc(OC)n2)C1 969282494 VPVMJEXOLHQMKD-RZFFKMDDSA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2nnc(O)nc2O)[C@@H]1CC 985514066 AGOFPTDXQKAWFB-KXNHARMFSA-N 377.401 -0.017 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)C[C@@H]2C1 986478629 XOEJMUUBUBPBDP-TWMKSMIVSA-N 390.484 -0.684 30 20 GBED C#Cc1cncc(C(=O)N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@@]34COC[C@@H]3C4)C2)c1 990883789 MLTRIPWUMGHVAS-CLWJZODNSA-N 392.419 -0.127 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccccc2C(N)=O)C[C@H]1O 1025712175 HFHSLDJTQQFDHG-VQHPVUNQSA-N 387.436 -0.393 30 20 GBED N#Cc1ccc(CN2C[C@H](n3ccnn3)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1 1070027485 JCHDCTFBELWKKD-TWMKSMIVSA-N 379.424 -0.187 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)N2CCNC(=O)C2)cc1 1095854344 YGJCVAOVEVQMDX-SQNIBIBYSA-N 380.448 -0.039 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1102368372 QUEPCDVRDMSYML-APIJFGDWSA-N 393.488 -0.416 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnc2c(c1)nnn2C 1109533666 OMOATFZOLXEPAQ-UYHMYPTGSA-N 381.440 -0.164 30 20 GBED N#Cc1ccccc1S(=O)(=O)NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1116161105 IXZRZMMZBXXISL-FIXIBIHLSA-N 389.389 -0.474 30 20 GBED COCC#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)C[C@@H]1n1ccnn1 1129939603 MHNAICLKKNOOGZ-KONPQCLYSA-N 383.456 -0.193 30 20 GBED CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)NCc2cccc(OCC#N)c2)C1 1327330216 ZOECWFFSKCMUFN-CQSZACIVSA-N 394.453 -0.397 30 20 GBED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1332354999 AMBNMVHPWHPEMI-HBUWYVDXSA-N 380.445 -0.747 30 20 GBED N#Cc1ccc(CCNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 1333341445 QRBPTPNFTGQXHJ-UHFFFAOYSA-N 397.479 -0.016 30 20 GBED C=C(C)Cn1c([C@@H]2[C@@H]3CCCO[C@H]32)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1342262135 ATKOYHAYIMPFLJ-BYNSBNAKSA-N 386.456 -0.106 30 20 GBED CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1 1343123236 RUCKDYJSRFEADF-CYBMUJFWSA-N 380.426 -0.648 30 20 GBED N#Cc1cn(CCC(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)c(=O)nc1O 1464771708 MOSRHQJFQALPHW-CQSZACIVSA-N 389.412 -0.549 30 20 GBED C#CCCN1CCN(C(=O)CCCCc2cnn[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 1574883121 MKKBCZMMFDVFJF-JKSUJKDBSA-N 379.486 -0.149 30 20 GBED C#CCOCCC(=O)N1CCCC[C@H]1CN(C)CC(=O)NCc1cnn[nH]1 1575013496 PYJQGLZMSFLBTF-INIZCTEOSA-N 376.461 -0.226 30 20 GBED CS(=O)(=O)C[C@@H](O)CNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1580159337 YLHDJDYNNQIYQP-OLZOCXBDSA-N 378.414 -0.929 30 20 GBED Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c1-c1nn[nH]n1 1581681623 VIVADYGPJOGAAZ-GHMZBOCLSA-N 385.413 -0.189 30 20 GBED N#C[C@@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CCN1C1CC1 1587317068 IBGLBGSRHLWTDR-CJNGLKHVSA-N 387.415 -0.002 30 20 GBED C#CCN(C)CCCNC(=O)N1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C 1588349061 AQXXUQDXWJZUGC-CQSZACIVSA-N 398.475 -0.168 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[nH]n3)nc2)C1 1588355188 FYPAAWBOWOWWNS-ACJLOTCBSA-N 385.428 -0.253 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)cc1 1588370205 SNVHYHBCDPQXGP-KGLIPLIRSA-N 376.380 -0.383 30 20 GBED C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H]1CNCC(=O)NCC#N 1590261352 OUMSWINWVJUQGQ-BXUZGUMPSA-N 385.432 -0.335 30 20 GBED N#Cc1cc(C(=O)N2CCO[C@@H](CNc3cnc(-c4nn[nH]n4)cn3)C2)c[nH]1 1606360254 QYTXPRZOPAEIIA-LBPRGKRZSA-N 380.372 -0.190 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)cc1 1608183655 FSQZCWCJKSILNU-QWHCGFSZSA-N 381.410 -0.214 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CCC(=O)OC)C(=O)O)cc1 1609162150 IQKONBAEHDHZNZ-CYBMUJFWSA-N 382.394 -0.266 30 20 GBED CS(=O)(=O)NC1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1680024589 JZMMQDHPYBHHJN-HNNXBMFYSA-N 391.453 -0.003 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccnn3)C2)C1 1779457967 WQOVPPBNIWJQDZ-VOFKWLDRSA-N 385.424 -0.222 30 20 GBED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn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c1cccnc1)n1cnnn1 1813472015 HDOYOFUNIZVAFE-IFIJOSMWSA-N 397.395 -0.577 30 20 GBED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCC(=O)N2)CC1 1826539036 SGNKRUUYSLYANK-GJZGRUSLSA-N 375.425 -0.027 30 20 GBED CC(=O)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)n[nH]1 1834761025 ZHYRZPGAHKSKFR-KRWDZBQOSA-N 375.385 -0.404 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835068132 OPDRUCHOICMSFT-YOEHRIQHSA-N 396.536 -0.355 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)CO3)CCO2 1836994164 IKUDSYKWIXXUFY-FQEVSTJZSA-N 399.403 -0.279 30 20 GBED CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1837237937 BDZMWGLSCFZHGI-QLXKLKPCSA-N 385.486 -0.095 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/C)CCO2 1839811755 MULAJGYATCDRPJ-LUXNNOGYSA-N 377.441 -0.123 30 20 GBED CC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839860537 ZURWEDUYIRLBJU-SFHVURJKSA-N 389.412 -0.908 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cscn3)C2)C1 1840041474 OLGGNILNJACDKH-MRXNPFEDSA-N 379.394 -0.699 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840160316 DRHCUBBTVBDQHA-MEBBXXQBSA-N 399.429 -0.294 30 20 GBED Cn1nncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813213 MTEPGVNSIXQNOR-GOSISDBHSA-N 388.428 -0.421 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC(C)=O)C2)C1 1840839868 JKWUQLICYWFWBH-LPHOPBHVSA-N 379.457 -0.229 30 20 GBED CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1)C(=O)O 1844258799 WNHFQDSSRHSQBS-HXJASHHUSA-N 379.461 -0.276 30 20 GBED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)CN(CCO)CCO)C2)cc1 1846034290 ZVYDTKNLFAHKHP-UHFFFAOYSA-N 386.452 -0.338 30 20 GBED O=C1NC(=O)[C@@H](CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C/N=C/c2ccco2)N1 1848131446 LQLOZNLTFQGZGM-TVICRMNMSA-N 387.396 -0.502 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)CC)c1 31221327 RBAMSLQZWHYZGT-UHFFFAOYSA-N 375.472 -0.180 30 20 GBED C/N=C(/NC[C@@H]1CCc2nnc(C)n2C1)N1CCN(c2cnn(C)c2)C(=O)C1 261722291 KXLHOUFAPFAIFW-AWEZNQCLSA-N 385.476 -0.193 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCN(C)C)C[C@H]2CCCN2CC)C1=O 263641730 AQWGMOUOCLZFPU-OAHLLOKOSA-N 393.488 -0.162 30 20 GBED C#CCSCCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 265829948 PTQZCFXBKNLAKU-UHFFFAOYSA-N 381.479 -0.097 30 20 GBED COCCN(CC(=O)OC)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 268857916 ZQYGUHRGYLYOGR-LBPRGKRZSA-N 383.426 -0.127 30 20 GBED Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 275486418 KCBRXJISXKWTAU-LSDHHAIUSA-N 399.494 -0.357 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2c(OC)ncnc2N(C)C)C1=O 281344344 DFODFKMTPFRSMO-NSHDSACASA-N 376.417 -0.265 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H]2OCCN(C)[C@@H]2C1 333986982 HFSTXAMUVCSWOY-WQVCFCJDSA-N 378.454 -0.234 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)C(=O)[C@H]1C 349504307 MLXGMTLDDYKMGT-VXGBXAGGSA-N 380.492 -0.958 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](O)CC(C)(C)C1 349526504 TWDMLZZMMIRWFI-CYBMUJFWSA-N 381.520 -0.026 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H](C)O)ccc1C#N 349564415 HKWYNTZAVDHTBW-SNVBAGLBSA-N 376.460 -0.306 30 20 GBED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(CC)C[C@@H](C)C#N 409544445 SFGCFTVSLQMGNY-QWHCGFSZSA-N 394.519 -0.662 30 20 GBED CCN(CCC#N)S(=O)(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 410388327 QCXLLOXQUQOMBS-AWEZNQCLSA-N 396.535 -0.161 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)O)CC2)c1C#N 422872923 JETJCRWTYZRDKT-NSHDSACASA-N 376.417 -0.572 30 20 GBED COCCNC(=O)Cn1cc(NC(=O)C(=O)NCCc2ccc(C#N)cc2)cn1 595082919 ZSWDKBITADWNQE-UHFFFAOYSA-N 398.423 -0.185 30 20 GBED CC(=O)NC(C)(C)C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 726837344 GHZNEDMVZBWUNY-UHFFFAOYSA-N 377.401 -0.039 30 20 GBED N#Cc1cccc(CNC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 745482131 NXMGGOQZKQVENY-KNCCTNLNSA-N 397.387 -0.120 30 20 GBED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccsc2)c1=O 758056515 WHEOVVBBHWFJEY-UHFFFAOYSA-N 385.470 -0.034 30 20 GBED COCCN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 768521735 UMHHOUUSLUWNBQ-UHFFFAOYSA-N 394.453 -0.568 30 20 GBED C#CCOc1ccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 771889635 BDWFIISQWUZXTE-UHFFFAOYSA-N 390.421 -0.202 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnn(C=C)c2)c1=O 772310980 IXJPYBMMEKTDMD-UHFFFAOYSA-N 397.460 -0.504 30 20 GBED C=CCS(=O)(=O)CCNC(=O)NCCNS(=O)(=O)c1cccnc1 783010718 GNOOXEUTKIMSIG-UHFFFAOYSA-N 376.460 -0.740 30 20 GBED C=CCS(=O)(=O)CCNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 783540037 WDBGETNAVSEFCK-HNNXBMFYSA-N 387.502 -0.583 30 20 GBED C#CCN(CC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)C(=O)OC(C)(C)C 821231911 RHUSJLNFEMOTJV-UHFFFAOYSA-N 388.490 -0.193 30 20 GBED O=C(O)C#CC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 844822687 YXXHEXHFHNHOPB-UHFFFAOYSA-N 377.378 -0.295 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)C)cc1 848937859 SOJGUJPCAPZRKM-UHFFFAOYSA-N 398.466 -0.799 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(F)c2F)CC1 872515253 JXVGWQWIDBVMRP-UHFFFAOYSA-N 379.410 -0.261 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 994082463 FZRHNTPLQRCCPI-SYQHCUMBSA-N 393.444 -0.119 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCO[C@H]3C=C)C2)nn1 1023960392 JDMSYLBUPVFIQK-XOUADPBQSA-N 375.429 -0.253 30 20 GBED CNC(=O)C1CCN(C(=O)CN2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@@H](C)C#N)CC1 1110402929 GEUKTEVVLJDDHR-XZDPQHSOSA-N 375.473 -0.148 30 20 GBED Cn1nccc1[C@H](O)C1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1118824102 WQMCMSNIEMZTGQ-QAPCUYQASA-N 375.429 -0.431 30 20 GBED C=CCCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)n2)O1 1130809325 RKIRPSPUECRHON-IGQOVBAYSA-N 392.460 -0.160 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NCCn1cnc2ccccc21 1321691774 PEIWJOBSYWGJNC-WUKNDPDISA-N 396.407 -0.205 30 20 GBED CCOC(=O)COCCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1324819232 HLTCDMHLQSWDEQ-UHFFFAOYSA-N 383.426 -0.189 30 20 GBED C[C@H](NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1cnn(C)c1 1326550612 FYDRIZQUVTWEKF-STQMWFEESA-N 382.428 -0.004 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2nnn(Cc3cc(C)no3)c2C)CC1 1327816222 KNDQFSSQQDSZOI-UHFFFAOYSA-N 399.455 -0.171 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NCCCN(C)S(C)(=O)=O)n1 1330748876 URDVQJDSQKPODG-UHFFFAOYSA-N 383.474 -0.738 30 20 GBED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)CC1 1332157642 UIBWIBZZMGDMSV-CQSZACIVSA-N 399.451 -0.068 30 20 GBED Cc1cc(NC(=O)C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)nn1CCC#N 1337212117 KIVUFOULSZPBNS-OLZOCXBDSA-N 376.417 -0.204 30 20 GBED C=C(Cl)CN1CC(N2C[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2=O)C1 1573295548 RETJTYDXBRKOPM-JTQLQIEISA-N 390.835 -0.038 30 20 GBED C#CCNC(=O)CC(=O)NC[C@@H]1CCCCN1C(=O)[C@H](C)OCc1cnn[nH]1 1575004165 AOLDKWQALQQDEV-ZFWWWQNUSA-N 390.444 -0.653 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCCNCCc2cnn[nH]2)C1 1575014221 YMAPOEGMJMFFNG-GJZGRUSLSA-N 376.461 -0.670 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN([C@H]2CCN(Cc3cnn[nH]3)C2)CC1 1575040141 XSEGKZZBYCITLV-ZWKOTPCHSA-N 389.504 -0.006 30 20 GBED O=C(CC(=O)NCc1cnn[nH]1)NCCC1CCN(C(=O)C#CC2CC2)CC1 1577768725 BJIMIUOJJHMVFA-UHFFFAOYSA-N 386.456 -0.031 30 20 GBED CCN(CCC#N)C(=O)CN1CC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1577909079 FVOGXNBUHVQQOS-UHFFFAOYSA-N 385.432 -0.381 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 1588500989 HRARTSTUPQHUFC-SJCJKPOMSA-N 378.408 -0.100 30 20 GBED C=CCN1CCN(CN2CCN(c3c(-c4nn[nH]n4)c(C)nn3C)CC2)C1=O 1588657370 KXYASLBSEVICDD-UHFFFAOYSA-N 386.464 -0.088 30 20 GBED CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(C#N)(C(=O)O)CC2)c1 1598676072 WFQQZXBGVMCPQV-UHFFFAOYSA-N 387.439 -0.026 30 20 GBED C#CCN(CC(=O)O)C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1602682334 NGVYDHIEWDNYTM-NSHDSACASA-N 379.394 -0.767 30 20 GBED COC(=O)C1CC2(C1)CN(S(=O)(=O)N1CCO[C@@H](C#N)C1)C[C@H]2C(=O)O 1604289811 KFCVSKIOUYDHQW-WVIDZAQPSA-N 387.414 -0.959 30 20 GBED CO[C@]1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CCOC1 1769770024 LFICNLMOLCAMJT-XNJGSVPQSA-N 376.417 -0.237 30 20 GBED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778379729 JGFHKNSCGBUCJX-SFHVURJKSA-N 386.412 -0.626 30 20 GBED CC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779067296 RUOSKSRZQAFWGL-HXUWFJFHSA-N 391.468 -0.349 30 20 GBED COCc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1783567299 UCPMHYUHWMOMAP-SFHVURJKSA-N 375.381 -0.307 30 20 GBED NC(=O)CC[C@H](N)C(=O)Nc1ccc(C2(NC(=O)C#CC(=O)O)CCC2)cc1 1787978211 QJOQOOWVTSWVPH-AWEZNQCLSA-N 386.408 -0.199 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC=O)C[C@@H]21 1788573721 ICIVEBPEOURORT-UVPYHEFZSA-N 381.473 -0.326 30 20 GBED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)N(C)C)C[C@@H]21 1789890278 KPSBVJHRPSYEOP-KKUMJFAQSA-N 395.456 -0.436 30 20 GBED CCNC(=S)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)S)C[C@@H]21 1790572292 RCDNXTHFHKFBAM-VOAKCMCISA-N 388.559 -0.232 30 20 GBED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)N1C[C@H]2C[C@H]2C1 1791077329 VOHKSXSUPIQIFG-LTAJLKHCSA-N 389.452 -0.606 30 20 GBED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2 1797744510 XFJFIBYPCIHWPI-QCNNLCDFSA-N 382.461 -0.943 30 20 GBED CN(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797781207 ASOCWIVMDOIZBO-HGKCTWBKSA-N 377.485 -0.164 30 20 GBED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1800488276 VLQGBVVSGYZHSI-JFILPPLUSA-N 378.429 -0.660 30 20 GBED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831575894 GRRXELIBGWXTGN-KXBFYZLASA-N 393.440 -0.255 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832379969 FNAFWOBFFLEUOJ-SJKOYZFVSA-N 398.485 -0.631 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)CC#N)CC2)CC1 1837634988 CDUOOKCERNQSDL-INIZCTEOSA-N 396.444 -0.037 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838062720 DDEDYKUIEFGNJK-SCLBCKFNSA-N 394.428 -0.224 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1840166761 AOWNYCZGMDLBNN-SFHVURJKSA-N 375.429 -0.311 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=COCC3)CCO2)C1 1840559053 OOLVMDDNTKHSTM-DNVCBOLYSA-N 378.425 -0.215 30 20 GBED CN(C)C(=O)NCC(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1841134644 RYPMPDXILJHSSN-MBTVCVBTSA-N 395.460 -0.010 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](C)CS(C)(=O)=O)C1 1841615960 SBOSLSIVPAJRLJ-LMVHVUTASA-N 397.497 -0.271 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(S(C)(=O)=O)CC2)cc1 45336019 VXSBOFGKSWNIQC-UHFFFAOYSA-N 399.494 -0.294 30 20 GBED O=C(C#Cc1ccccc1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 266966183 AGDXFUSOEPFIKQ-MRXNPFEDSA-N 396.490 -0.301 30 20 GBED COC(=O)[C@H](c1cccc(C#N)c1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 270842023 GDDLDIDPWUNCMG-ZACQAIPSSA-N 393.465 -0.452 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 275616324 IWFNECLCYZIFFP-CYBMUJFWSA-N 398.412 -0.216 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCc1ccc(C#N)cc1)C2 276163720 RUXBAVRHWHQTIY-UHFFFAOYSA-N 383.412 -0.270 30 20 GBED C#CCN(CC#N)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 281262075 FIBRYDJSLQZAHD-UHFFFAOYSA-N 390.465 -0.218 30 20 GBED C#CCNc1nc(N2CCN(C(C)=O)CC2)nc(N2CCN(C(C)=O)CC2)n1 285956757 AAPUCLNFVBSHBT-UHFFFAOYSA-N 386.460 -0.746 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)OC 290185692 ZOKXJQVFNXNCLR-GFCCVEGCSA-N 377.397 -0.089 30 20 GBED C[C@]1(C(N)=O)CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 297924599 URAXHWIGNMQESE-JXFKEZNVSA-N 383.452 -0.053 30 20 GBED Cn1cc(/C=c2/s/c(=C(\C#N)C(=O)NC[C@@H]3CCCO3)n(C3CC3)c2=O)cn1 297987182 XMYYLROTOJZDCI-LYSCUEKESA-N 399.476 -0.224 30 20 GBED CCN1CCN(C/C(O)=N/[C@@H]2CCCN(c3ccnn3C)C2=O)C(=O)C1=O 330120719 BEBHQYNSDHWRAG-GFCCVEGCSA-N 376.417 -0.437 30 20 GBED COc1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)nn1 349479682 VEMREIGSVHKPTG-UHFFFAOYSA-N 389.459 -0.208 30 20 GBED N#CCCNS(=O)(=O)CCCS(=O)(=O)Nc1nc2n(n1)CCCC2 349595306 UZEDUOMAMLGHMU-UHFFFAOYSA-N 376.464 -0.421 30 20 GBED N#C[C@@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1ccc(F)cc1 468187057 LZDFNCFAXOFXQA-CYBMUJFWSA-N 379.373 -0.088 30 20 GBED Cc1cc(NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)n(CCC#N)n1 530808052 KMVILFMBDQIKMB-UHFFFAOYSA-N 384.462 -0.122 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCS(N)(=O)=O)n2)c(Cl)c1 542071735 BQPXEIAAWTZUGY-UHFFFAOYSA-N 396.816 -0.259 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CC1 553689686 ZXSMZBQRCMJXJX-INIZCTEOSA-N 391.516 -0.434 30 20 GBED C[C@@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2nn(C)cc2C#N)cc1 569259296 YHSUXACVQXFALH-SNVBAGLBSA-N 399.454 -0.248 30 20 GBED CCOC(=O)Cn1cnc(NC(=O)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)n1 591874103 ZUUZYAKSGNBGIR-CQSZACIVSA-N 382.380 0.455 30 20 GBED COC(=O)C[C@@H]1COCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 592799964 PTJLXXXSCGHONR-CYBMUJFWSA-N 381.410 -0.373 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCc2cn(C)nn2)cc1 594617563 XGKAZMBQADXDDT-UHFFFAOYSA-N 398.470 -0.172 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)O)C2)CC1 595974594 GUBAOZLYOVDQMJ-LBPRGKRZSA-N 378.410 -0.420 30 20 GBED CCn1nccc1CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 597429087 LQOULTHHHRDUFR-UHFFFAOYSA-N 384.444 -0.218 30 20 GBED CS(=O)(=O)N1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 726585475 XNPIECWZKQGCFN-UHFFFAOYSA-N 391.453 -0.143 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Cn2cc(C(N)=O)c3ccccc32)CC1 728530821 VBGFMZRLTVPVNZ-UHFFFAOYSA-N 381.436 -0.366 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cccc(N3C(=O)CCC3=O)c2)CC1 728533820 AUARAUCXPFYQKI-UHFFFAOYSA-N 382.420 -0.153 30 20 GBED O=C(COc1cccc(-c2nn[nH]n2)c1)NCCN/C(O)=C1\N=CC=CC1=O 737924539 HTJDNYWDOLNVCW-BMRADRMJSA-N 383.368 -0.112 30 20 GBED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCOC)c1=O 753788765 QAQPMPLCFCIILM-UHFFFAOYSA-N 387.465 -0.446 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C(=O)O)[C@@H]1CCCOC1 762237505 PREAPIRCQZVJTB-YGRLFVJLSA-N 381.410 -0.279 30 20 GBED Cn1cc(S(=O)(=O)NN=C2CCN(CC(F)(F)F)CC2)c(=O)n(C)c1=O 771897972 MBUSCUSUMBADFV-UHFFFAOYSA-N 397.379 -0.624 30 20 GBED N#Cc1cnn2c(O)cc(COC(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)nc12 783903675 RXZRUPDBKZVZLF-FKGLVLAHSA-N 397.347 -0.488 30 20 GBED C[C@H](CC(=O)NS(=O)(=O)c1cc[nH]n1)/N=C1/NS(=O)(=O)c2ccccc21 796891808 VDJIUWSIMPMVDL-SECBINFHSA-N 397.438 -0.268 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)c1cnnn1C 803398217 PGIKAYHEWQWNRY-SNVBAGLBSA-N 377.382 -0.220 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC)c(S(C)(=O)=O)c2)CC1 820680371 VKGMDFJQNFPODR-UHFFFAOYSA-N 393.465 -0.394 30 20 GBED N#CCN(CC(=O)O)C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 833066449 ZBKAFIYGWCULCF-SNVBAGLBSA-N 380.382 -0.876 30 20 GBED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N[C@@H]3CNC[C@H]3C#N)CC2)c1 844195150 QFQGUBHIYUQGDC-NVXWUHKLSA-N 391.497 -0.325 30 20 GBED C#CCNC(=O)CN1CCN(CCCON2C(=O)c3ccccc3C2=O)CC1 846934231 DZCXFCRYUXOALI-UHFFFAOYSA-N 384.436 -0.029 30 20 GBED C#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(=O)n(C)c1 848958533 RHOCNLADLZKEEE-UHFFFAOYSA-N 387.483 -0.056 30 20 GBED C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nccs2)CC1 848962523 BDDHVHISADGSBR-UHFFFAOYSA-N 392.528 -0.145 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 875596023 GTEMSKNJPOUJGM-CABCVRRESA-N 385.486 -0.443 30 20 GBED C=CCn1cc(C(=O)N2CC[C@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@H]32)nn1 1021692624 YATGVEODGKTSRU-PMOUVXMZSA-N 388.428 -0.830 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@@H]1O 1083470724 JNPQQHYKUQOWBH-KBXIAJHMSA-N 380.445 -0.929 30 20 GBED N#Cc1cncc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CCn2cc[nH]c(=O)c2=O)n1 1092856823 UBYKPTPZXVSUOS-RDBSUJKOSA-N 381.396 -0.486 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCCNC(=O)C2CC2)C1 1130009434 OQULZNUQZCDLOJ-NCOADZHNSA-N 388.472 -0.263 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)C1 1261486595 BGJZVAAKTYTYRF-VLIAUNLRSA-N 397.435 -0.077 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 1319063526 ZSPGZKCCDPRFDF-NZBPQXDJSA-N 396.407 -0.341 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 1322760011 JEDZQLFAMONNQE-PJHBIWMESA-N 392.412 -0.965 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)CCO1 1325325315 DJFQUIVCELDWSJ-MFKMUULPSA-N 378.335 -0.063 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2cc(OC)ccn2)CC1 1329814377 PXWLMCCQNFZDBO-UHFFFAOYSA-N 396.469 -0.544 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 1330470518 LFVKDMUTXPJFRO-KRWDZBQOSA-N 380.489 -0.993 30 20 GBED CN1CCN(C2CN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)CC1 1332550440 PHWORQCQZTUTJU-UHFFFAOYSA-N 391.497 -0.427 30 20 GBED CC(C)C#CC(=O)N1CCC(CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1573943017 SUVSOWPDZCMZIM-UHFFFAOYSA-N 385.428 -0.063 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C2)CC1 1588351825 MDOCLGGRGCQHBG-CQSZACIVSA-N 381.444 -0.303 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)c1 1588379246 DFEUYHPQWJNTBR-OLZOCXBDSA-N 377.368 -0.988 30 20 GBED C=CCOCCCC(=O)NC[C@@H]1COCCN1c1nccnc1-c1nn[nH]n1 1588682706 PUXYDUGPFWAHGU-CYBMUJFWSA-N 388.432 -0.039 30 20 GBED C=CCn1cc(C(=O)NC[C@H](CC)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 1588713942 ZMQJVYOFLCSADB-NSHDSACASA-N 384.404 -0.089 30 20 GBED Cc1c(C#N)c(=O)n(CCCOc2cccc(-c3nn[nH]n3)c2)c(=O)n1CCO 1591799397 IKAKIKUCNPJYLW-UHFFFAOYSA-N 397.395 -0.168 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[nH]n1 1602721255 BSLJMXFOPDJXIO-KGLIPLIRSA-N 381.444 -0.161 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)N(C)C 1761483312 WMWWHRNKLBCNCE-HZMBPMFUSA-N 387.441 -0.582 30 20 GBED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)COCCO)CCO2 1779104972 IJWMBDHGGWJQEX-RIYWLQNKSA-N 399.444 -0.646 30 20 GBED Cn1nncc1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812875042 QOBUKHADIZANMD-CXAGYDPISA-N 382.380 -0.382 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)Cn2nccn2)[C@@H]1c1cccnc1 1812880100 MXJITRKNINKMFN-RDTXWAMCSA-N 382.380 -0.533 30 20 GBED C#CC(=O)N1CC[C@@H](CNC(=O)Cn2cc(C)c(O)nc2=O)[C@H]1c1cccnc1 1814037755 OEFGSPPCKDBXHZ-MAUKXSAKSA-N 395.419 -0.008 30 20 GBED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CNC(=N)N)[nH]n1 1815197368 NMSSYMFRAIQISB-YPMHNXCESA-N 375.433 -0.077 30 20 GBED C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1)n1cncn1 1825675085 UDTIIRRLLCHJAU-ZJUUUORDSA-N 388.409 -0.004 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1836392830 DVTQITFGJNCIQE-SFHVURJKSA-N 384.396 -0.287 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(NC(C)=O)o1)CCO2 1837453813 QTVOCBZSYGYJIF-SFHVURJKSA-N 375.381 -0.059 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1 1839225120 XZMRAVVIKOMEJE-DAYGRLMNSA-N 384.477 -0.162 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839863791 HEWQZEPYDBGUHM-LIRRHRJNSA-N 397.472 -0.719 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1840157329 LOIWNJLDJQMTIZ-WBMJQRKESA-N 388.490 -0.968 30 20 GBED O=C1C[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CCN1 1840227494 SQIHUMSVUQCKMT-JXFKEZNVSA-N 389.452 -0.618 30 20 GBED O=C1CN(CC(=O)N2CCCC23CN(C(=O)/C=N/N2CCCCC2)C3)C(=O)N1 1841891868 QVAYMOPLPIBHRX-DJKKODMXSA-N 390.444 -0.787 30 20 GBED COC(=O)[C@]1(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCOC1 268848415 FGXUTYDGLIKYKD-BZNIZROVSA-N 381.410 -0.327 30 20 GBED N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(CCS(N)(=O)=O)CC1 269891772 XTEXDNMKGBDZGK-UHFFFAOYSA-N 392.890 -0.194 30 20 GBED COC(=O)[C@H](c1cccc(C#N)c1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 270842020 GDDLDIDPWUNCMG-ULQDDVLXSA-N 393.465 -0.452 30 20 GBED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NCC(C)(C)N2CCOCC2)c1 298203212 JYKYMEQBHHKLJG-UHFFFAOYSA-N 376.413 -0.266 30 20 GBED O=C(CN1CCOCC1)N1CCN(/C(O)=N/CCN2CCSCC2)CC1 329458741 RIABUYYPBHMUBI-UHFFFAOYSA-N 385.534 -0.574 30 20 GBED C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 331435910 CQYHZKLFLHJXLO-HNNXBMFYSA-N 399.451 -0.112 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C)C[C@H]1C 349469032 ANQZFKTZUDCPFF-VXGBXAGGSA-N 380.492 -0.958 30 20 GBED CCN1CCCN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)CC1=O 349502890 RMBZAYCXVCYYPH-LBPRGKRZSA-N 380.492 -0.908 30 20 GBED Cc1nnc(N(C)S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)s1 349507294 UWWZNTAQOQPXQX-UHFFFAOYSA-N 379.489 -0.212 30 20 GBED COC(=O)CCN(C)S(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 375423004 ANYKTJNBBQFQPD-HNNXBMFYSA-N 394.453 -0.012 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H](OCCO)C1 460599402 JKJDXFMHSNAKAY-OAHLLOKOSA-N 398.423 0.386 30 20 GBED CCc1c(NC(=O)C(=O)NCC(=O)NCC#N)nnn1Cc1ccc(F)cc1 559894646 SSLHTBHDCZTSSS-UHFFFAOYSA-N 387.375 -0.278 30 20 GBED COC[C@@H](CCO)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 563428796 IDZJWQJAGNCENV-NWDGAFQWSA-N 391.471 -0.447 30 20 GBED COC(=O)[C@H]1C[C@@H](O)CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 592950986 FDGHVBRIMFUBCD-QWHCGFSZSA-N 381.410 -0.781 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 596750680 XFRVPUSSBQGNOJ-ZIAGYGMSSA-N 396.473 -0.756 30 20 GBED CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(CCC#N)CC2)CC1 602235815 GPGBIGARZKNLDJ-KRWDZBQOSA-N 378.521 -0.566 30 20 GBED Cn1c(Nc2ccc(N3CCN(CC(=O)O)CC3)cc2)c(C#N)c(=O)n(C)c1=O 739014610 RXABNNNEXDNVCI-UHFFFAOYSA-N 398.423 -0.094 30 20 GBED C#CCN1CCC[C@@H]1COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 756544035 TXBXLULDFVGLJM-KGLIPLIRSA-N 381.454 -0.207 30 20 GBED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NC1(C#N)CCC1 784199733 PBXQXFJYTSJEMS-UHFFFAOYSA-N 376.394 -0.058 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 786366744 RIQHXIVQKQHEKF-MHWZDGSBSA-N 379.369 -0.906 30 20 GBED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CNS(=O)(=O)NC)C1=O 831521789 NGVPEBXRDNELMU-CQSZACIVSA-N 377.467 -0.258 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 961362241 ARCYIXCBVAAKPB-YVSFHVDLSA-N 375.425 -0.007 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CC(=O)N(C)C1=O 1000561094 XRXDLZQUXJCFEY-MRLBHPIUSA-N 390.440 -0.280 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 1025722281 XWKKNTGLEZXUHL-DCDXPUDHSA-N 376.413 -0.937 30 20 GBED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 1092921715 FMJGOCLGOHUGQQ-GHYVTOPFSA-N 378.458 -0.098 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(CC(=O)NC)no1 1110495757 HNRUUIFKAUTMOJ-ZIVKBKJYSA-N 377.445 -0.093 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCC(=O)NC(N)=O)[C@H](C(F)(F)F)C1 1112167740 BXAMKFOHVIGLJH-DBIOUOCHSA-N 378.351 -0.249 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCN4CCOC[C@H]4C3)CC2)cn1 1119081299 FWIHSIXQPGUIHV-QGZVFWFLSA-N 384.440 -0.855 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCOC[C@H]2CCO)CCN1Cc1ccccc1 1120507322 JPEIIIRPHDQDDT-MSOLQXFVSA-N 386.452 -0.167 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(=O)NCCC)C[C@H]1O 1193075314 CPIBFJZZFPKDJA-TUVASFSCSA-N 382.461 -0.635 30 20 GBED C=CCN(C(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)[C@@H](C)COC 1261624425 VLULGOAPQIKURJ-KBPBESRZSA-N 375.491 -0.176 30 20 GBED C=CCS(=O)(=O)CCNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 1320131064 HCINHPOKZUCXBV-UHFFFAOYSA-N 381.520 -0.605 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)CC1 1324434610 RERQVRCECPMVPN-UHFFFAOYSA-N 376.461 -0.549 30 20 GBED C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)C1 1326036270 OQIFCUWDNZBQBI-BEFAXECRSA-N 375.473 -0.191 30 20 GBED N#CCC1CCN(C(=O)C(=O)N2CCN(C(=O)N3CCOCC3)CC2)CC1 1328290636 SPVWYTJOBVAUFL-UHFFFAOYSA-N 377.445 -0.265 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC([C@H](O)c2nccn2C)CC1 1329799902 FOMNKHCJWCHWRQ-AWEZNQCLSA-N 398.485 -0.591 30 20 GBED Cn1ncc(Br)c1CNC(=O)C(=O)N1CCN(CCC#N)CC1 1330022415 RLTUHJMHWRCMIL-UHFFFAOYSA-N 383.250 -0.143 30 20 GBED CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1331378714 JGTTVVDMXCPARU-MSOLQXFVSA-N 383.452 -0.040 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N(C)C[C@H]1COCCO1 1340234509 LTUOONWAIQDCDC-LBPRGKRZSA-N 376.417 -0.620 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCO[C@@H](C(=O)OC)C1 1344759396 WSQKRVUIBRIGSX-MRXNPFEDSA-N 389.408 -0.066 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 1345670232 RGFHSTBTYYITCO-YQQAZPJKSA-N 397.483 -0.062 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N(C)CCN2C(=O)c3ccccc3C2=O)nn1 1345711306 SVPCYCWWTCNAPV-UHFFFAOYSA-N 396.407 -0.165 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)CCCc2cnn[nH]2)CCCO1 1575012636 FENOPLBNQCUQGP-GOEBONIOSA-N 377.445 -0.101 30 20 GBED C[C@H](OCc1cnn[nH]1)C(=O)NC[C@H](CO)NCc1ccc(F)c(C#N)c1 1575854793 RFQCHCBOBIVDNP-SMDDNHRTSA-N 376.392 -0.013 30 20 GBED N#Cc1ccc(N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cn1 1581871045 DTNSHDHMSUVTBA-QGZVFWFLSA-N 379.384 -0.167 30 20 GBED C#CCN1CCC(C(=O)NCCCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1588351872 OAAAAHSBBZNVQW-UHFFFAOYSA-N 384.444 -0.224 30 20 GBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588354231 JKVAMFDJMLYAEO-GHMZBOCLSA-N 386.416 -0.653 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 1588354382 YAWXDHXMKJVDPE-UHFFFAOYSA-N 379.421 -0.409 30 20 GBED C#CCOCCC(=O)N1CCO[C@H]([C@H](C)N=c2cc[nH]cc2-c2nn[nH]n2)C1 1588359449 OOMFTTFHAVDIAW-BBRMVZONSA-N 385.428 -0.249 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1 1588363740 XSQXMRKFMWEJDE-UHFFFAOYSA-N 383.412 -0.719 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)CCO2)nc1 1588371410 GNDSVFHALXEOJX-CYBMUJFWSA-N 391.395 -0.332 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCc2c(cccc2C(=O)O)C1 1588879198 VQTPAEIHYKULPO-UHFFFAOYSA-N 380.422 -0.014 30 20 GBED Cc1ccc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1-c1nn[nH]n1 1592113687 YXOCVBTXXODJDS-CYBMUJFWSA-N 388.409 -0.245 30 20 GBED Cn1c(N2CCC[C@@](C#N)(c3ccccn3)C2)c(-c2nn[nH]n2)c(=O)n(C)c1=O 1592553211 FWVGSQZZSCUUGT-SFHVURJKSA-N 393.411 -0.279 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 1602871691 ZMCMRNRVHWCIMJ-UHFFFAOYSA-N 378.414 -0.800 30 20 GBED C=CCOC[C@@H](NC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C)C(=O)O 1609443009 OJOUWIYOGURKLU-GFCCVEGCSA-N 390.396 -0.420 30 20 GBED Cn1cc(-c2nn[nH]n2)c(=O)n(CC(=O)Nc2ccccc2SCC#N)c1=O 1609477418 VNDBEHSWAJXTDS-UHFFFAOYSA-N 398.408 -0.019 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@]1(O)CCOC1 1761465726 YDSZZDAISKIYRK-XUJVJEKNSA-N 386.478 -0.222 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778940899 YSZPOMIGPUQQTG-SJCJKPOMSA-N 379.417 -0.507 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)C(OC)OC)CCO2 1781263974 NLRWDDOAKSZZTP-SFHVURJKSA-N 384.429 -0.055 30 20 GBED Cc1noc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)n1 1782010693 VLNFKGYUQWHACW-FZKQIMNGSA-N 390.396 -0.478 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC)NC(N)=O)C[C@@H]21 1784482032 BPWSISNICCZSRA-QXKUPLGCSA-N 394.472 -0.549 30 20 GBED CN[C@@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21)C(=O)O 1786893965 KWSKJVSYKVXWGZ-XUXIUFHCSA-N 380.445 -0.421 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC(C)=O)OC(C)=O)[C@H]2C1 1788640815 YMIVDKZZBZFRCN-VGWMRTNUSA-N 380.397 -0.906 30 20 GBED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cnnn4)C[C@@H]32)cc1 1789570782 URUPCIPTUHPCQA-ULQDDVLXSA-N 395.423 -0.162 30 20 GBED C[C@@H](Cn1cccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791073920 BVYFGIQYLDDESJ-VGWMRTNUSA-N 388.424 -0.413 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C)noc1N)C2 1793342757 OUNZMYGAPPHWMA-XPCVCDNBSA-N 376.413 -0.193 30 20 GBED C[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796574450 UTFKQWLLZRIZIA-DOLQZWNJSA-N 377.430 -0.617 30 20 GBED CC(=O)N1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)CC1 1797303981 SRNYUJODCIZLIP-HGKCTWBKSA-N 391.472 -0.956 30 20 GBED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1)[C@@H]1C[C@H](O)CN1 1798497347 YQPXFNGXZZYJSX-AOAVCYAGSA-N 394.472 -0.124 30 20 GBED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1)n1cnnn1 1798695158 SPRXARQWGUQEHV-DNVSUFBTSA-N 384.400 -0.663 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)Cn2ccnn2)[C@@H]1c1cccnc1 1812879894 VSGFNMKTAGDBJN-RDTXWAMCSA-N 382.380 -0.533 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(COC)CC3)C2)C1 1831387799 KXNKALTUEATPQM-OXJNMPFZSA-N 394.468 -0.092 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccn3C)C2)C1 1831390997 CXTUONOGTZWSLT-BEFAXECRSA-N 390.440 -0.472 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1831492772 OEJFVVWZCYJVBI-NVXWUHKLSA-N 397.501 -0.311 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1832458654 UQHSSCOCIFKNTL-YOEHRIQHSA-N 385.486 -0.504 30 20 GBED C=CCC(=O)N1CCC(N2CCC(NC(=O)CN3CC(=O)NC3=O)CC2)CC1 1833712865 MTLQWMGREAAQFQ-UHFFFAOYSA-N 391.472 -0.314 30 20 GBED C#CC(=O)N1CCC(N2CCC(NC(=O)CCN3CCN(C)CC3)CC2)CC1 1834623379 MYATUDQMKXCEPC-UHFFFAOYSA-N 389.544 -0.171 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)COCC)CCO2 1834977260 AMLLBRAMVUOJJN-VOFKWLDRSA-N 395.456 -0.662 30 20 GBED N#CCC(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1837045656 DPGVMIJHVDGSDQ-UHFFFAOYSA-N 391.428 -0.550 30 20 GBED CC(=O)O[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)C(C)C 1837216684 QDLJZGCAPHCKBU-WMZOPIPTSA-N 381.429 -0.056 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838754533 NGQKTVRNHCMUJY-ZDUSSCGKSA-N 393.440 -0.402 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)C1 1839076310 KNHPBYGKXABDNC-BXWFABGCSA-N 379.457 -0.868 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1839845133 FFRSFAJFGCQJMT-HDMKZQKVSA-N 392.460 -0.097 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCO2 1839881417 VZGIGHUEQPDRFY-KXBFYZLASA-N 379.457 -0.229 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1840106164 ALVJVDPIJRRKOV-HXUWFJFHSA-N 391.468 -0.131 30 20 GBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2ccc3c(c2)NC(=O)CO3)C1 1844080728 GGGHDDCTUDCQLU-UHFFFAOYSA-N 383.360 -0.078 30 20 GBED N#Cc1ccccc1OCC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 267031613 ALUDGJLEZLAGJJ-GJZGRUSLSA-N 379.438 -0.761 30 20 GBED COC(=O)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 268757957 YOBIXLGUMHXZJI-GWCFXTLKSA-N 397.409 -0.554 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCNS(C)(=O)=O 268766254 QEDQOZUEKMXFOM-NSHDSACASA-N 388.471 -0.719 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)c1cnn(C)c1 268922294 PBURLMHLAIFUOY-XHDPSFHLSA-N 377.426 -0.192 30 20 GBED N#Cc1ccsc1NC(=O)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1 280903231 HADOYESSOREOED-UHFFFAOYSA-N 391.453 -0.439 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O 292475765 VKLVUUAHHPTFAT-ZDUSSCGKSA-N 383.364 -0.090 30 20 GBED CN(CCS(C)(=O)=O)C(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 297441304 ABFYRSNRKJIYJW-INIZCTEOSA-N 392.481 -0.274 30 20 GBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)/C(O)=N/C[C@H]1CN(C)CCN1C 329605708 MFEGALPKAPFWME-OCCSQVGLSA-N 386.522 -0.094 30 20 GBED C[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1cc(C#N)ccn1 349462821 LPVFCHITCXYKDG-WCQYABFASA-N 388.471 -0.130 30 20 GBED CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]1CO 349514052 CXDIDBJTWYSAEU-GXTWGEPZSA-N 379.504 -0.225 30 20 GBED C=CCn1cc(CNC(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)nn1 425564997 NDUMOUIDBRTJDN-HNNXBMFYSA-N 393.492 -0.168 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H](O)COCC1CC1 460579045 TUKRYWJRHBILBL-HNNXBMFYSA-N 398.423 0.290 30 20 GBED CCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@H]1CC(=O)NC1=O 502528799 SKCQIMBNHWMYBY-ZDUSSCGKSA-N 378.410 -0.558 30 20 GBED CCC(C#N)(CC)C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 528603691 MCZMPONDBAOZOB-CQSZACIVSA-N 384.502 -0.236 30 20 GBED C=CC[C@@H](CO)CNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 539267916 KJPRXGFRBBCACF-GFCCVEGCSA-N 381.454 -0.215 30 20 GBED N#CC1CCN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 585704633 BYFSNPLCGQUUTB-UHFFFAOYSA-N 385.472 -0.133 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 596750678 XFRVPUSSBQGNOJ-KGLIPLIRSA-N 396.473 -0.756 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN(C)C)CC2)c1 614605551 PQLBEIOFJWAAGU-UHFFFAOYSA-N 394.497 -0.003 30 20 GBED C=C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 668493940 SMHFOZCSPPROGZ-ZDUSSCGKSA-N 381.410 -0.603 30 20 GBED NC(=O)[C@@H]1CCC[C@H](C(=O)NCC#CCNC(=O)[C@@H]2CCC[C@@H](C(N)=O)C2)C1 682536960 ORRVAQWSJRHOMV-FPCVCCKLSA-N 390.484 -0.194 30 20 GBED C#CCNCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 727238667 NNWJTCMIGLFNMY-UHFFFAOYSA-N 396.425 -0.341 30 20 GBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N2CCN(c3ccccn3)CC2)CC1 728571023 UEEPJYXOANTNBL-GOSISDBHSA-N 398.511 -0.514 30 20 GBED COC(=O)Cc1nc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n[nH]1 736110504 CNAAKHBIMJPIJU-UHFFFAOYSA-N 378.370 -0.803 30 20 GBED N#Cc1ccc(NCCNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)nc1 746392488 LDBDTSWRSQDCAP-INIZCTEOSA-N 386.456 -0.338 30 20 GBED C#CCN1CCN(C(=O)CON=C(N)c2ccc(S(C)(=O)=O)cc2)CC1 749873940 JGVBSBASAAFZMS-UHFFFAOYSA-N 378.454 -0.496 30 20 GBED C[C@@H](C(=O)NC1CC1)N1CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 754973569 MMZUSAVJAXLGOT-LBPRGKRZSA-N 377.470 -0.005 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 757157807 ZADZIXPBSGFYAZ-NSHDSACASA-N 379.384 -0.530 30 20 GBED O=C(O)CNS(=O)(=O)c1ccc(C(=O)/C=C/c2cn(CC(=O)O)nn2)cc1 759074551 GCZFYNNBYBUWFW-ZZXKWVIFSA-N 394.365 -0.378 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1nnnn1CC1CC1 770079368 FUFXYHIJQLXBEK-UHFFFAOYSA-N 375.414 -0.562 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCC[C@@H](S(C)(=O)=O)C1)c1cc[nH]n1 772549570 SCVIKQPQXIASFO-LLVKDONJSA-N 386.430 -0.271 30 20 GBED C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NCCNc1ncccc1C#N 787775502 PXESIQRNWLCNEA-VXGBXAGGSA-N 381.458 -0.239 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 787778643 PXFBVVPOPZREDB-LLVKDONJSA-N 398.345 -0.239 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2nccn2-c2ccccc2)c(=O)n(C)c1=O 790171094 FMCNXRXXCYYBEW-UHFFFAOYSA-N 388.409 -0.418 30 20 GBED COc1ccc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)c(C)c1OC 806611098 KTWHCBKWHHPKDK-UHFFFAOYSA-N 384.417 -0.253 30 20 GBED COCCN(CC#N)CC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O 839086759 GNGMNOYUMWEDDL-SFHVURJKSA-N 389.412 -0.035 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC(N2C[C@H](C(=O)O)CC2=O)CC1)[C@H]1CCCO1 846334198 YFBCTKNGSCBSOH-VHDGCEQUSA-N 391.424 -0.793 30 20 GBED COCCn1c(=C(C#N)C#N)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 918173402 LZMOQSRIQNHOJQ-UHFFFAOYSA-N 389.458 -0.014 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1C 940383991 RMQBGKKRMMEWSR-TUVASFSCSA-N 385.486 -0.424 30 20 GBED C=CCCn1cc(C(=O)N2C[C@@H](NC(=O)[C@H]3OCCO[C@H]3C)[C@H](OC)C2)nn1 942519983 SDDGWJCTNROXKM-XNISGKROSA-N 393.444 -0.386 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(C(=O)NC)c2)C1 1023991777 IJQDLECUIPUHHE-VQHPVUNQSA-N 387.436 -0.061 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(CC(=O)NC)no2)C[C@H]1C 1080474173 MWZDKHCMAWVVAQ-SYQHCUMBSA-N 377.445 -0.114 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1OC 1082149661 HIEUJJIVOQPZAT-LVQVYYBASA-N 387.502 -0.572 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCC(C)(C)N2CCOCC2)CC1 1116984884 XWFSZQBDDJURKR-UHFFFAOYSA-N 378.473 -0.799 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)CCO1 1117695982 SIDMPCKPEMCPFW-GJZGRUSLSA-N 384.392 -0.018 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1 1118533205 OCMUBZQDQBMTEA-HZPDHXFCSA-N 396.451 -0.271 30 20 GBED C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C[C@H]1NCC(=O)NCC#N 1214880568 OZDVOSYJRRAYGN-IIVZCXTMSA-N 388.472 -0.036 30 20 GBED COCC#CCN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CCN(C)CC2)C1 1219652263 MBPYJAXTXZRBHW-YRXWBPOGSA-N 379.501 -0.456 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CCC[C@]34CCOC4=O)CC2)c1 1261352853 HCVVRXLTQDJSEZ-LJQANCHMSA-N 383.408 -0.090 30 20 GBED C[C@@H]1CCCN(C[C@@H](C)NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1322020068 VCRUTGPHFGNXPU-BKJYESAMSA-N 391.472 -0.134 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](CC)N(C(C)=O)C[C@H]1CC 1323996517 BXRBZRSVWOIZPQ-HUUCEWRRSA-N 387.502 -0.049 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCS(=O)(=O)CC3)CC2)c(F)c1 1325185841 UVVOKBUVYCQGHP-UHFFFAOYSA-N 394.428 -0.397 30 20 GBED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCOCC2)cc1 1326765411 QXIRPRYLMZEOFQ-ZDUSSCGKSA-N 394.453 -0.241 30 20 GBED C#CCNC(=O)CN1CCN(C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC1 1327051131 RSNPCHOKBHMEHS-LJQANCHMSA-N 393.509 -0.335 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)nn1 1332043842 SAEZKEDPGMCARF-RISCZKNCSA-N 386.416 -0.876 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2CCCC(F)(F)F)CC1 1352299123 YJTMCJKSFWUFRE-UHFFFAOYSA-N 381.384 -0.395 30 20 GBED Cc1nc(C#N)c(C#N)n1CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1559401408 UKBALXYVJYLDLY-ZDUSSCGKSA-N 376.442 -0.734 30 20 GBED N#CC[C@H](C(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O)c1ccccc1 1571152632 IINOPTMHJBJWEJ-LBPRGKRZSA-N 380.368 -0.057 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1OC 1573351749 QEPAINXZZUJGEW-RUZUBIRVSA-N 386.416 -0.432 30 20 GBED C#CCCCC(=O)NC1(CN[C@H](C)C(=O)NCc2cnn[nH]2)CCOCC1 1574867117 PJGJPDGFCSWEGS-CQSZACIVSA-N 376.461 -0.132 30 20 GBED C[C@@H](OCc1cnn[nH]1)C(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(C#N)c2)C1 1575857999 MYIOONYKCKDIBJ-PIGZYNQJSA-N 387.400 -0.697 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588352749 VGXGEIITUAKSAU-HNNXBMFYSA-N 382.428 -0.425 30 20 GBED CCN(C(=O)Cn1c(C)nc(C#N)c1-c1nn[nH]n1)[C@@H]1CCS(=O)(=O)C1 1590670066 IFBFDYYVKAUCSD-SNVBAGLBSA-N 378.418 -0.721 30 20 GBED CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCO[C@@H](CC(=O)O)C1 1598437117 NXFZBFQCZOLRGR-LSDHHAIUSA-N 375.381 -0.248 30 20 GBED C[C@H]1CN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C(=O)O 1599912462 JVWCPMLNORXZOQ-BYIBELNISA-N 378.385 -0.802 30 20 GBED N#CC1(C[C@H](O)CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)O)CCOCC1 1608175135 QHVVEXBRXXBFDH-AVGNSLFASA-N 380.401 -0.863 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC(S(N)(=O)=O)CC1 1609493670 QUACFBGSJLEIBO-ZDUSSCGKSA-N 389.441 -0.172 30 20 GBED CC(C)N(C)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782017432 KOMBGYJDOVJMDB-DNVCBOLYSA-N 379.457 -0.072 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4ncccn34)[C@H]2C1 1788005954 JAPYKKMIDIQWFL-YDHLFZDLSA-N 397.391 -0.589 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 1792584588 WETFTYAWOLGLCB-LBKYZSNHSA-N 394.472 -0.097 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOC1=O 1793162429 KPOWLRHMKVSIST-AYDFFVQHSA-N 381.429 -0.381 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(C)n(C)n1)C2 1793340143 MFIFRTXVMJBFPB-GGXPGOJBSA-N 388.468 -0.101 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnsn1 1794381056 MZGNUNWXHMRCQJ-OAILTHCBSA-N 391.453 -0.400 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795580249 LAMDUEAIXDWSPX-HGTKMLMNSA-N 394.476 -0.783 30 20 GBED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(O)O)C3)c1 1798576804 WMQDNTRTELXPSI-AGGWBTHJSA-N 375.381 -0.919 30 20 GBED CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808780285 XDEIEOKDIFDNQI-YZVOILCLSA-N 398.419 -0.204 30 20 GBED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1810278240 CMNDAUCUBALTLY-IUSCMOLSSA-N 389.456 -0.130 30 20 GBED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CN)CC2 1822924673 MAGHEGHCVPYATR-QWRGUYRKSA-N 395.485 -0.150 30 20 GBED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056470 ANRZXWGXRVOANE-IFXJQAMLSA-N 394.472 -0.141 30 20 GBED COC(=O)NCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831225061 QAFCIWGIWAKUCI-SFHVURJKSA-N 379.413 -0.788 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncnc3)C2)C1 1831390904 ADCJNXOUFGRBTA-KXBFYZLASA-N 388.424 -0.415 30 20 GBED NC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833430422 DQCDUEFQGQHHKU-UHFFFAOYSA-N 375.473 -0.360 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCNC)CCO2)C1 1835658686 RHSPBKSEBYHVQY-LPHOPBHVSA-N 381.473 -0.519 30 20 GBED N#CCC(=O)N1CCC(N2CCC(NC(=O)CCc3nc(N)n[nH]3)CC2)CC1 1835665660 ZRQKYLBRNJRVII-UHFFFAOYSA-N 388.476 -0.195 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840007188 QYWZXUYZFMYWAZ-ACBHZAAOSA-N 376.409 -0.581 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1840161236 IREFRLLATQYONB-KEYYUXOJSA-N 397.501 -0.311 30 20 GBED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)N1CCOCC1 1847806926 DEUCTOPVRJIZBV-BQFCYCMXSA-N 381.473 -0.178 30 20 GBED COCCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1ccc(C#N)cc1 63754582 IECLOIUTVMWCAC-UHFFFAOYSA-N 385.424 -0.131 30 20 GBED CCS(=O)(=O)NCCN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 68784307 OCXYMNFURYKUPJ-UHFFFAOYSA-N 386.499 -0.196 30 20 GBED C/N=C(/NCCNC(=O)c1ccc(O)cc1)N1CCN(c2cnn(C)c2)C(=O)C1 262776772 IHMZPHQSILCAFS-UHFFFAOYSA-N 399.455 -0.220 30 20 GBED CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CC(=O)NC1=O 268789247 FHZUKFWPJMFDAT-GWCFXTLKSA-N 378.410 -0.511 30 20 GBED CN(CCNc1c(C#N)c(=O)n(C)c(=O)n1C)S(=O)(=O)c1cccs1 269378703 OQPHGHXOOBVFQY-UHFFFAOYSA-N 383.455 -0.250 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCCN2CCNC(=O)C2)cc1 270772276 QYIQZOXWOTVJIK-UHFFFAOYSA-N 378.454 -0.589 30 20 GBED COCCN1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1=O 271075749 RHJNLUUNLHCJGO-UHFFFAOYSA-N 379.438 -0.210 30 20 GBED CN(CCNC(=O)NCCn1cnc(C#N)n1)S(=O)(=O)c1cccs1 286549079 ALDDJYOOAFBVKO-UHFFFAOYSA-N 383.459 -0.169 30 20 GBED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 297897462 OXNQFUXXJZBZRT-UHFFFAOYSA-N 397.435 -0.534 30 20 GBED C[C@@H]1C[C@@H]1N1C[C@@H](/N=C(/O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1=O 329799367 IESUCUJJTJMYJZ-WOPDTQHZSA-N 388.428 -0.210 30 20 GBED C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)CCCS(=O)(=O)NCC#N 349463041 BEMWAMLGNJKNJA-KBPBESRZSA-N 378.520 -0.292 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CO)ncc1C#N 349470663 CQXVTSSWBXDWDZ-LBPRGKRZSA-N 390.487 0.036 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 349604045 DEKZLHHMEYVYDS-SOUVJXGZSA-N 392.547 -0.094 30 20 GBED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)n1 434563528 CWTDUUNDGOITGW-STQMWFEESA-N 375.772 -0.100 30 20 GBED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCN(CC(N)=O)C(=O)C3)C2)n1 458055377 VTFUNDQRFCWQQT-OAHLLOKOSA-N 384.440 -0.366 30 20 GBED C=CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 459910748 SRLFPHAFWBALDO-ZIAGYGMSSA-N 388.490 -0.871 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCN(C(C)C)C1=O 460595018 CZJMTHIVUPQMJE-CQSZACIVSA-N 395.423 0.511 30 20 GBED CC(CO)(CO)NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 565083598 WCXDEFQJKFNBHF-UHFFFAOYSA-N 377.788 0.195 30 20 GBED CNC(=O)c1c(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n[nH]c1C 570253398 HGIWPLSTBASMIC-UHFFFAOYSA-N 376.398 -0.134 30 20 GBED CN(C)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 590369666 JJTZELKSSHWPHG-INIZCTEOSA-N 394.497 -0.002 30 20 GBED C=C[C@H]1CN2C(=O)CN(CCN3CC(=O)N(C[C@H](C)CC1=C)C(=O)C3)CC2=O 642880619 APDAGMJDMRHRBD-ZBFHGGJFSA-N 388.468 -0.274 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NCCCc2ccccc2)CC1 761032871 OXBBOIYEZPXUSP-UHFFFAOYSA-N 378.498 -0.179 30 20 GBED C=CCNc1ncc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)s1 770107013 HGJMIMSHOIVZDM-UHFFFAOYSA-N 379.398 -0.240 30 20 GBED C[C@H]1CN(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 807357943 LSADVQQXQWBWDZ-LBPRGKRZSA-N 381.410 -0.373 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2ccc(S(C)(=O)=O)s2)CC1 820370783 JLVOUEJNHOGVJL-UHFFFAOYSA-N 377.513 -0.263 30 20 GBED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H]2CCCN(O)C2=O)[C@@H](C)O)cc1 820475957 DESXBXQHMMWCRT-XBFCOCLRSA-N 385.442 -0.481 30 20 GBED C[C@@H]1NC(=O)N(CCOC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1=O 837382810 GRTRNIKJYHIZIF-NSHDSACASA-N 394.409 -0.024 30 20 GBED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](CO)[C@@H](O)C1 837922739 JCSGGEUOHKUXBD-QEJZJMRPSA-N 395.481 -0.049 30 20 GBED C#CCSCC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 895777422 SVAFYZAVLCWMCS-LBPRGKRZSA-N 380.513 -0.986 30 20 GBED C#CC1(O)CN([C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 934445409 XFHVARMEXXJSHV-CQSZACIVSA-N 393.465 -0.286 30 20 GBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 960959758 JAJPXIDBBIAOEP-BFJAYTPKSA-N 385.424 -0.338 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C[C@@H]2O)cn1 969354079 ULPLSFGZLGDURO-KONPQCLYSA-N 379.420 -0.098 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cn2c(O)nnc2O)C[C@H]1C 994645609 LVDQNAARVIJGPK-LPWJVIDDSA-N 379.417 -0.509 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CC(=O)NC1=O 999328928 ADWUXYKIPRZKBV-MRLBHPIUSA-N 390.440 -0.233 30 20 GBED CC(C)(C)N1C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CC1=O 1110615475 TWILAVRVKMLQDM-TUVASFSCSA-N 375.473 -0.005 30 20 GBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ccc(O)nc1=O 1110774248 DTAQMXUGQOHNRY-SYQHCUMBSA-N 375.429 -0.639 30 20 GBED N#Cc1cn(CC(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c(=O)nc1O 1157850888 WNJFJUOWAFMCBI-KOLCDFICSA-N 399.329 -0.310 30 20 GBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CCCO1 1201042899 PCYQFGHOPMXFCG-UIBIWLFHSA-N 381.473 -0.453 30 20 GBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1 1219822659 RQMJUUQYYHKGFM-NCOADZHNSA-N 390.484 -0.922 30 20 GBED C=CCn1c(CS(C)(=O)=O)nnc1N1CCN(C(COC)COC)CC1 1262987118 NUPZWPLNTMUBAW-UHFFFAOYSA-N 387.506 -0.208 30 20 GBED N#CCOc1ccc(NC(=O)C(=O)N(CCO)CCN2CCOCC2)cc1 1320868458 FICIXHFAAPAJDS-UHFFFAOYSA-N 376.413 -0.319 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1 1321416907 VRFGDJISIKYMQW-CYBMUJFWSA-N 394.457 -0.238 30 20 GBED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CCN1C 1324563138 NPEXTTOPXFZESC-KFWWJZLASA-N 385.472 -0.016 30 20 GBED COCCO[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1325824536 IJBCXYBMNRRBAX-MRXNPFEDSA-N 387.440 -0.134 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)C1 1328444775 MAVJEPYDDBVBFL-CXAGYDPISA-N 398.485 -0.816 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3C[C@H]4CCCCN4C3=O)CC2)c1 1331767530 QMBYBIWYAAPJLF-CVEARBPZSA-N 396.451 -0.129 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H](CNC(=O)C(C)C)C1 1347202270 ZOHGWYJPOZEAQV-CQSZACIVSA-N 387.502 -0.286 30 20 GBED C=CCN(C(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1)[C@H](C)COC 1350280171 LNLKCFCXRYWVME-CABCVRRESA-N 380.489 -0.153 30 20 GBED C=C(C)Cn1c(CN2CCC[C@H](O)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1356370457 NOYRUUDCMVHIBF-HNNXBMFYSA-N 398.533 -0.108 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(C(N)=O)C3)CC2)cc1 1558037998 RJQCKJZRXTXUOA-UHFFFAOYSA-N 376.438 -0.097 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O 1573287605 OAPIMTLTGBPFFZ-RAIGVLPGSA-N 376.442 -0.372 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CN=c3cc[nH]c(-c4nn[nH]n4)n3)C2)nn1 1573350725 JGNYMZLNRJXZBB-VXGBXAGGSA-N 395.431 -0.324 30 20 GBED C[C@@H](OCc1cnn[nH]1)C(=O)NC[C@@H](CO)NCc1ccc(F)c(C#N)c1 1575854792 RFQCHCBOBIVDNP-RISCZKNCSA-N 376.392 -0.013 30 20 GBED N#Cc1cc(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3cnn[nH]3)cn2)c[nH]1 1577712477 ODUKNHVHHBNKPF-CYBMUJFWSA-N 380.368 -0.413 30 20 GBED O=C(C#CC1CC1)N[C@@H]1COC2(C1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 1581912584 QAVNTCWUHRCOFL-LBPRGKRZSA-N 381.396 -0.292 30 20 GBED C#CCO[C@@H](C)C(=O)NCC1(O)CN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 1588356569 DPBUXJHBJVQKJJ-LBPRGKRZSA-N 388.403 -0.293 30 20 GBED C#Cc1ccccc1CC(=O)NC[C@H](CO)Nc1nccnc1-c1nn[nH]n1 1588376914 MFYOVFNHJXZABL-CQSZACIVSA-N 378.396 -0.230 30 20 GBED CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(-c2nn[nH]n2)nc1 1590983971 ZELWQQOOPPYBRB-UHFFFAOYSA-N 398.408 -0.037 30 20 GBED N#Cc1cccc(-c2nn[nH]n2)c1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1592698810 JAAPGEYLMJQWQY-UHFFFAOYSA-N 396.411 -0.754 30 20 GBED C#CCNC(=O)CN[C@H]1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C12CCC2 1602722154 DERNCXWGHCLGPK-KBPBESRZSA-N 382.428 -0.425 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 1602791731 ALGWXIKELHLACY-IRXDYDNUSA-N 388.432 -0.305 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(COC)c(C(=O)O)s2)C1=O 1602894476 FOLRABPBRJZQFA-UHFFFAOYSA-N 382.354 -0.097 30 20 GBED CNC(=O)CN1CCC(NC(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)CC1 1609288406 OGRMHTFCSGCPHM-HNNXBMFYSA-N 396.455 -0.124 30 20 GBED Cc1nc(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)n[nH]1 1640578839 OLATXFQEEWUNFY-UHFFFAOYSA-N 389.441 -0.500 30 20 GBED C[C@H]1Oc2ccccc2N(CC(=O)NCCn2cc(C#N)c(O)nc2=O)C1=O 1646149025 ZNJRPTZCGZDJJH-LLVKDONJSA-N 383.364 -0.249 30 20 GBED CNS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1748295220 UMOCIVSFIRYWIG-ZDUSSCGKSA-N 391.457 -0.074 30 20 GBED NC[C@H](N)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1778000347 BXTPMFJKTCSCPZ-GCRRLXJQSA-N 394.520 -0.742 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1778969903 USTQYAQVCDVBGC-IFXJQAMLSA-N 393.488 -0.771 30 20 GBED CN[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(=O)O 1780332928 JAINCWSMDMITFJ-KBXCAEBGSA-N 389.412 -0.607 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2 1781265474 OLQPUUSNBULHBE-GOSISDBHSA-N 391.428 -0.232 30 20 GBED CN1CCC(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783556235 OQDKOHYWNLSWPA-LJQANCHMSA-N 377.441 -0.364 30 20 GBED CS(=O)(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785370291 VAJWYISPZRUURY-QGZVFWFLSA-N 383.470 -0.055 30 20 GBED CN1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)CC1 1788191067 ISNLTYSOMFJQGI-FHWLQOOXSA-N 388.512 -0.373 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)nn1 1794562226 SEZAAEIULXFXJD-NFFDBFGFSA-N 376.413 -0.024 30 20 GBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)C(F)(F)F 1801035097 FZFHQXJOGXGEGT-SDNRWEOFSA-N 383.392 -0.427 30 20 GBED CCOc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)cn1 1834756238 PSEXAVIHZUYBKF-SFHVURJKSA-N 389.412 -0.141 30 20 GBED CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)nn1C 1834763444 IWVJPAGICLIJKP-SFHVURJKSA-N 375.429 -0.034 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4CCC(=O)N4)CCO3)C2)CCC1 1835311944 DUEJBINLJMQBIS-KUHUBIRLSA-N 390.440 -0.585 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)(C)C)CCO2)C1 1835609617 UWFFLXBOACMHPM-JXFKEZNVSA-N 395.500 -0.131 30 20 GBED N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)c1ccccn1 1835696382 YUEQLYMVXXDWGA-FPOVZHCZSA-N 398.463 -0.049 30 20 GBED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1837662825 DVISWNKOFYWAKS-KXBFYZLASA-N 382.505 -0.279 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839120682 QDRMUZCZBCRRTC-PWIZWCRZSA-N 393.484 -0.377 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCO)CCO2)C1 1839191766 GJCATERGWMULGT-DOTOQJQBSA-N 390.502 -0.594 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1839845900 BUMYREMQAKBJLR-YZVOILCLSA-N 379.457 -0.209 30 20 GBED Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cn1 1840462676 NFZRNZFYBIBWSQ-HXUWFJFHSA-N 386.452 -0.168 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(CCCN3C(=O)CNC3=O)CC2)cc1 108223040 QIBUDUNROXWJEW-UHFFFAOYSA-N 391.453 -0.194 30 20 GBED C[C@@H](CN1CCN(c2ccccn2)CC1)Nc1c(C#N)c(=O)n(C)c(=O)n1C 265464783 NZWILNXCLQPGQN-AWEZNQCLSA-N 383.456 -0.027 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCO)CCO)cc1 275251875 PFHIAYVLFFGJRL-UHFFFAOYSA-N 385.442 -0.755 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCCN1CCOC(C)(C)C1)c1cc[nH]n1 278198446 RZEFHGHABNVMEL-RCCKNPSSSA-N 381.433 -0.080 30 20 GBED CN1CCN(C(=O)C2CCN(/C(O)=N/[C@@H]3CCc4ncnn4C3)CC2)CC1 329456478 QCSTZMOQLVXDSL-OAHLLOKOSA-N 375.477 -0.007 30 20 GBED Cn1nc2c(c1NS(=O)(=O)CCCS(=O)(=O)N1CC(C#N)C1)CCC2 349504712 RBKSBQIRPORMSC-UHFFFAOYSA-N 387.487 -0.174 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 465467819 QRBDXIWNDJSIGR-UONOGXRCSA-N 392.485 -0.496 30 20 GBED C[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@H](CO)O1 470929821 GALFSEWXRIHKEB-SWLSCSKDSA-N 384.396 -0.255 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NC)cc1 516877521 HFQHTEDRWFRGEP-NSHDSACASA-N 388.471 -0.366 30 20 GBED C=CCN(CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 533065226 GHKXFWABNYLETD-ZIAGYGMSSA-N 378.516 -0.303 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCn2cc([N+](=O)[O-])cn2)c1 584869851 AZFZSJYZTYAPNJ-UHFFFAOYSA-N 378.370 -0.242 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCC(N3C[C@H](C(=O)O)CC3=O)CC2)C1 593770477 RNRZSKXYAOFHRU-PIGZYNQJSA-N 380.376 -0.625 30 20 GBED CCNC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C#N)CC)cc1 594626499 XGDNPQBXQIPVCZ-NSHDSACASA-N 388.471 -0.319 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C1=O 661015414 LVPDSJTUQSNNFY-CVEARBPZSA-N 378.473 -0.445 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)NC(=O)NCC(C)C)C1=O 726042971 QCKOZSNEPYBDEV-SNVBAGLBSA-N 382.373 -0.623 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)Cn2nc(-c3ccccc3)oc2=O)CC1 733150322 HSYOCKMYEDHECX-UHFFFAOYSA-N 397.435 -0.213 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 738296188 KTKDQKJOIIRKPV-FYWRMAATSA-N 389.397 -0.329 30 20 GBED COC(=O)CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 742956844 VLBIBMZXPKVUBA-UHFFFAOYSA-N 395.437 -0.094 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(C)c(S(N)(=O)=O)c2)CC1 746215863 RRYBYKLITFYFEI-UHFFFAOYSA-N 378.454 -0.850 30 20 GBED Cn1c(=O)c2ccc(C(=O)[C@H](C#N)C(=O)Nc3ccccn3)nc2n(C)c1=O 747021558 UYIVWROQALUCMW-NSHDSACASA-N 378.348 -0.012 30 20 GBED CN1C(=O)C(=O)N(CC(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)C1=O 751660969 GVOCDCBVMYGGRP-VIFPVBQESA-N 376.350 -0.311 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N1CCCC1=O 767680958 OGTIOQUQUWBJFR-NSHDSACASA-N 379.394 -0.083 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCC([C@@H](O)C(=O)OC)CC1)c1cc[nH]n1 772435801 RQTPRYWYTUXOLT-OAHLLOKOSA-N 396.400 -0.534 30 20 GBED C[S@](=O)CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 805000302 QQGFOIULYNXPTR-RXBISOJRSA-N 376.438 -0.730 30 20 GBED C=C(C)Cn1c([C@H]2CNC(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 818295014 JSRVSTRTHWAMII-QWHCGFSZSA-N 382.490 -0.072 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ncn(C)n1)[C@H]1CCCO1 848963216 MKTSZYIIGUBWQT-VXGBXAGGSA-N 391.475 -0.953 30 20 GBED COc1cc(NC(=O)C(=O)NCCOCCS(C)(=O)=O)c(F)cc1C#N 861758280 DAOHLWHUMBKUCG-UHFFFAOYSA-N 387.389 -0.178 30 20 GBED C#CCN1CCC[C@@H](NC(=O)C(=O)N2C[C@@H](C(=O)NC)Oc3ccccc32)C1 891606782 IWSQBFYLVGVJSB-PBHICJAKSA-N 384.436 -0.260 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CN2C(=O)CC(C)(C)C2=O)C1 963831108 POERUCKZVIRQSP-MQYQWHSLSA-N 393.440 -0.950 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 1022390886 BZRSEMILSXQVNK-ZJOBFFGXSA-N 390.440 -0.421 30 20 GBED Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)c1C#N 1090558085 AHEQBQFBLVMWBD-ZRJCITRHSA-N 393.469 -0.198 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@H]1C 1092977883 NXFSYIWFKIDTKS-FPCVCCKLSA-N 378.473 -0.780 30 20 GBED C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCCCN1CCCC1=O 1109090555 XMNMVNSQYDEXHT-WCVJEAGWSA-N 375.473 -0.004 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nc2nccc(C)n2n1 1110056736 JEGVJMFTJUZQTM-KBXIAJHMSA-N 381.440 -0.094 30 20 GBED Cc1nn(CCS(C)(=O)=O)c(C)c1CN(CC#N)S(=O)(=O)N(C)C 1117629764 QKIUSTXFYPQZJC-UHFFFAOYSA-N 377.492 -0.323 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](C)c1ncc(C(=O)OC)s1 1261448167 OYFDSOQJRKESLK-SECBINFHSA-N 389.455 -0.176 30 20 GBED CN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1298003220 FYKDRAYWQRTRAY-UONOGXRCSA-N 386.460 -0.506 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCCN(CC)C(=O)C1 1338868153 RMIDCYZXBXEVFB-UHFFFAOYSA-N 387.444 -0.413 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CC[C@@H](OCCOC)C1 1340359756 XAQWUWDJBIOFCI-CYBMUJFWSA-N 390.444 -0.230 30 20 GBED C=C(C)Cn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCO[C@@H](COC)C1 1343905840 BFMAGMUFKXIOJG-CYBMUJFWSA-N 390.444 -0.230 30 20 GBED CCN(CC)C(=O)CNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1348834331 NWKAOGWFGOPKIE-CYBMUJFWSA-N 387.444 -0.630 30 20 GBED N#Cc1cn(CCC(=O)NCc2cccnc2N2CCOCC2)c(=O)nc1O 1540744693 IYZBMKURSOHMJN-UHFFFAOYSA-N 384.396 -0.241 30 20 GBED C#CCOCCC(=O)NC1(CO)CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 1573288048 RYHRXYGARVQEAR-UHFFFAOYSA-N 386.416 -0.856 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@]1(C)CCCN(CC(=O)NCc2cnn[nH]2)C1 1575012442 ATIRSECNNMNNCE-KSSFIOAISA-N 376.461 -0.323 30 20 GBED CCN(C)C(=O)Cn1c([C@H]2COCCN2)nnc1N(CCC#N)CCOC 1577651699 CKOWBJBLKLPBDF-CQSZACIVSA-N 379.465 -0.216 30 20 GBED C=CCCOCC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588617081 PPIGEQOTOOWGDL-QGZVFWFLSA-N 389.416 -0.519 30 20 GBED C=CCNC(=O)[C@H](C)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588657799 XFJPMNKHTBLVOI-GTNSWQLSSA-N 388.432 -0.948 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H](C)CNc1nccnc1-c1nn[nH]n1 1602864075 VHUCBYAEMUFCCK-JTQLQIEISA-N 388.436 -0.163 30 20 GBED C=CCn1cc(C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)nn2)nn1 1602882451 JUJGMPFRDZSNMZ-NSHDSACASA-N 381.404 -0.167 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778939527 JNSMZDFRLGXKFZ-GOSISDBHSA-N 392.412 -0.798 30 20 GBED Cc1noc(C)c1CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557277 JRPSLXDAKPMWTC-GOSISDBHSA-N 375.381 -0.248 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1784500877 AQGAAGCSSGWJPF-AJNGGQMLSA-N 388.486 -0.398 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]21 1788573430 QYHXOPRNFLQGMN-QMHWVQJVSA-N 393.484 -0.182 30 20 GBED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800387521 VNHQZVCWUPCABZ-XJFOESAGSA-N 383.470 -0.297 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1 1800524463 MFLRHNOPRNOAFO-USRAEIGSSA-N 379.457 -0.715 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCC2(CCCN(C(=O)CNC(=N)N)C2)CC1 1809689112 DUDGVUNEWSBVFP-UHFFFAOYSA-N 391.520 -0.017 30 20 GBED CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1831276585 PZAUEDYWJPPTEI-KBXCAEBGSA-N 398.460 -0.620 30 20 GBED Cc1nnc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)o1 1835354521 NAIPZDFDTJVEPT-KRWDZBQOSA-N 377.401 -0.319 30 20 GBED C[C@@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838739332 PZCPQKZBLOJFKQ-ACJLOTCBSA-N 389.412 -0.909 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839664751 GNTLBZLLCYFJBT-SUMWQHHRSA-N 396.469 -0.982 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839781168 HVRTWWYCPITHGN-WMLDXEAASA-N 399.469 -0.676 30 20 GBED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1840292194 BZOXNSMKJVBDEN-GOSISDBHSA-N 390.444 -0.677 30 20 GBED N#CCCC(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843130037 SHUVHGCXOWCSDJ-UHFFFAOYSA-N 377.426 -0.041 30 20 GBED C#CC(=O)N1CCCC12CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1845961017 LVZLTGNUJBDTII-LBPRGKRZSA-N 378.429 -0.408 30 20 GBED CCS(=O)(=O)NCCNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 31219858 QJNGQPVYUPWGIY-UHFFFAOYSA-N 388.471 -0.766 30 20 GBED CC/N=C(/NC[C@@H]1CCS(=O)(=O)C1)N1CCN(c2cnn(C)c2)C(=O)C1 261700882 JETUWFYLGQIXKL-ZDUSSCGKSA-N 382.490 -0.531 30 20 GBED Cc1nsc(N2CCN(C(=O)CN3C(=O)C(=O)N(C)C3=O)CC2)c1C#N 291369303 CUKDOGXYRLYUHZ-UHFFFAOYSA-N 376.398 -0.608 30 20 GBED CCOC(=O)CN(CC(N)=O)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 299329193 PGRJGQBVCFVJLO-UHFFFAOYSA-N 396.425 -0.631 30 20 GBED CN1CCC(O)(CN/C(O)=N/CCS(=O)(=O)N2CCSCC2)CC1 329589988 SULPIBYJNCEJAC-UHFFFAOYSA-N 380.536 -0.675 30 20 GBED CNS(=O)(=O)NC1CCN(/C(O)=N/C[C@H](C(C)C)N2CCOCC2)CC1 331247993 WLOLUENJLPYCDA-OAHLLOKOSA-N 391.538 -0.225 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C2CC2)C1 349459326 NJUMLSOXXAQADH-UHFFFAOYSA-N 392.503 -0.466 30 20 GBED C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 349471222 UIWVESDOOBCDGI-FRRDWIJNSA-N 397.544 -0.568 30 20 GBED C=CCCOCCNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 366802280 OBSUABYMNOJCKH-UHFFFAOYSA-N 390.506 -0.080 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)N2CCCC2)CC1 409530635 QSMPOMPRAABAFH-UHFFFAOYSA-N 387.506 -0.667 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](CN)C3CCCC3)CC2)c1C#N 420057977 DJZBIQMDPJKPGL-INIZCTEOSA-N 387.488 -0.118 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C(COC)COC)CC1 422432816 NOSVTGWFNSCMAN-DOTOQJQBSA-N 383.489 -0.111 30 20 GBED C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 442329739 DZUAZHSNXCWMPB-XJKSGUPXSA-N 398.423 0.447 30 20 GBED CN(C)S(=O)(=O)N[C@H](CNC(=O)CNc1ccc(C#N)cn1)C1CCCC1 457862760 ISCKDUIKJZJWHQ-OAHLLOKOSA-N 394.501 0.436 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 485824869 SZHGHGFSCKEDBU-ZDUSSCGKSA-N 378.410 -0.473 30 20 GBED C[C@@H](C#N)CNS(=O)(=O)c1cccc(S(=O)(=O)N=c2nc[nH]n2C)c1 547625280 VTLUZLLRKWTPKU-JTQLQIEISA-N 384.443 -0.524 30 20 GBED N#Cc1ccc(CNC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)cc1F 562818787 QSKGLFJIIAFLRJ-UHFFFAOYSA-N 381.433 -0.174 30 20 GBED COCCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCO)cc1 594625170 ZDJCKHBIGOHITI-UHFFFAOYSA-N 377.444 -0.882 30 20 GBED CCS(=O)(=O)NCCCOC(=O)CNS(=O)(=O)c1ccccc1C#N 753339411 WLWVQUFILHXUEN-UHFFFAOYSA-N 389.455 -0.291 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nn3c(O)nnc3O)CC2)cc1 816733701 IEWFPVZVNLTNLA-UHFFFAOYSA-N 392.397 -0.268 30 20 GBED O=C(O)CN(CCN1CCOCC1)C(=O)CCN/C(O)=C1\N=CC=CC1=O 833248649 XLJNEAFOPNJKIP-WUKNDPDISA-N 380.401 -0.852 30 20 GBED C#CCNC(=O)C1CCN(C(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)CC1 845349507 KGTTUMSMTSOUMU-KRWDZBQOSA-N 389.427 -0.167 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@]12CCOC2=O 848958308 YYXVNJOBUUMBLV-CYBMUJFWSA-N 379.460 -0.727 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 850605947 NKWJKPDRQZCZPE-TZMCWYRMSA-N 384.385 -0.296 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 850712895 WBICZADABDKLIX-HNNXBMFYSA-N 399.455 -0.340 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)C1 965494903 BTJXBMOLSPIPOW-KBXIAJHMSA-N 377.441 -0.471 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc3c([nH]2)CCOC3)C1 965801361 OUSOBIBPCFKIEW-VZEFYGNVSA-N 375.425 -0.020 30 20 GBED C#CCN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CCN(C)CC2)C[C@@H]1n1ccnn1 1070196275 OGEZZWJTRODSAH-YRXWBPOGSA-N 386.500 0.000 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCC(=O)N2CCC(C(N)=O)CC2)[C@H](C)C1 1082752093 PLEBEQRBZRCSQV-DZUCGIPZSA-N 392.500 -0.262 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CS(=O)(=O)N(C)C)n1 1092865331 AYMAGPVYNXAQEN-RDBSUJKOSA-N 378.458 -0.226 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)C[C@@H]2C[C@H]2C2CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1108478150 DXBHHGDPATYOME-LUKYLMHMSA-N 393.509 -0.518 30 20 GBED COc1ccc(CNC(=O)C(=O)N2CCc3nn(C)c(=O)cc3C2)cc1C#N 1262128710 ICCLRWHQRRFUKP-UHFFFAOYSA-N 381.392 -0.138 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 1318905289 OQZFNKARXNIKJM-VUAZUDAXSA-N 376.413 -0.247 30 20 GBED CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 1321889494 BTKXGIGVQZNBLG-JHJVBQTASA-N 380.492 -0.847 30 20 GBED CNC(=O)CN1CCC(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1 1322134294 UBUCMMNAOJJJIN-UHFFFAOYSA-N 399.451 -0.526 30 20 GBED C#CCNc1nc(NCC(=O)N2CCCC2)nc(NCC(=O)N2CCCC2)n1 1323063504 MNYMJDLHUFNLLT-UHFFFAOYSA-N 386.460 -0.015 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 1323155121 UIGNMABFMFLNFN-GFCCVEGCSA-N 399.473 -0.993 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCCS(=O)(=O)C1 1324328397 ZZAWSZGDRKYZQQ-LLVKDONJSA-N 385.467 -0.334 30 20 GBED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1324334120 FOJDTHHKQOGTDL-CYBMUJFWSA-N 376.417 -0.311 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCO1 1325212389 FAONIRKJJFKNFR-JTQLQIEISA-N 398.363 -0.832 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)nn1 1325987025 SCAYFRAKCYSSHH-CYBMUJFWSA-N 379.417 -0.351 30 20 GBED CS(=O)(=O)Nc1cccc(CNC(=O)C(=O)NC2CCN(CC#N)CC2)c1 1326481734 VGMFDJVECQFJFZ-UHFFFAOYSA-N 393.469 -0.222 30 20 GBED C=CCn1c(C2=NNC(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1340561151 LETJVZKGNFLSNL-AWEZNQCLSA-N 386.460 -0.569 30 20 GBED CC(C)C#CC(=O)N(C)CCN1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 1573941970 JZZXIFGBAORDRH-UHFFFAOYSA-N 383.460 -0.104 30 20 GBED C#CCCCC(=O)N1CCOC2(CCN(CC(=O)NCc3cnn[nH]3)CC2)C1 1574850077 MKDDHDFRJXVHFG-UHFFFAOYSA-N 388.472 -0.082 30 20 GBED N#Cc1c[nH]ccc1=NC[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1581883652 QUJOMHHDEQEBOM-ZDUSSCGKSA-N 379.384 -0.164 30 20 GBED C#CCNC(=O)CC(=O)NC[C@H]1CCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588354574 QMILICBCOJZPLM-LLVKDONJSA-N 384.400 -0.945 30 20 GBED N#Cc1ncn(CC(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2=O)n1 1592710017 TWYRRUPELLMMMQ-CYBMUJFWSA-N 392.383 -0.753 30 20 GBED CNS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CCC(=O)O)cc1C 1598676940 JMXFDWSVICNKMK-UHFFFAOYSA-N 375.428 -0.108 30 20 GBED CC(C)(C(N)=O)N1CCN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)CC1 1609073391 OKPASCUNRDEFRP-HNNXBMFYSA-N 396.455 -0.043 30 20 GBED Cn1cc(-c2nn[nH]n2)c(=O)n(CC(=O)N(CCC#N)c2ccccc2)c1=O 1609477453 XVWDDXMKKIZMRS-UHFFFAOYSA-N 380.368 -0.326 30 20 GBED N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2nc(N)n[nH]2)C1 1779242677 XZEVDJPQMGKMFQ-SJKOYZFVSA-N 375.433 -0.253 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780030116 RVRJNDWSGCCWBA-SFHVURJKSA-N 387.348 -0.658 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1781269620 CDBBCJNFZBVCRT-YZVOILCLSA-N 395.456 -0.952 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnnn3C)[C@H]2C1 1785465787 ROMVSWIQHPNRCT-SDADXPQNSA-N 391.472 -0.019 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C)n1 1794591258 DQBBDKGLKPTPIV-XJFOESAGSA-N 377.445 -0.409 30 20 GBED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC[C@H](N)C(N)=O)c1 1795634983 IUWACSLEEZQZCN-DFGXFYAUSA-N 399.451 -0.646 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)cn1 1795797969 ZUOHCRNMWFUHPN-KSPBDQMDSA-N 375.356 -0.559 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1799389515 NVJYVOBJXRGBJL-SVZOTFJBSA-N 394.472 -0.097 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCO1 1800726342 OYROWFXIEFSBEJ-KUQZVKFASA-N 377.441 -0.387 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H](NC)C(=O)O)CCO2 1835766423 NREPUMNCEIRBAM-KXBFYZLASA-N 395.456 -0.691 30 20 GBED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836213629 FWVKYDOYCJLNDX-QAPCUYQASA-N 377.445 -0.053 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1839664749 GNTLBZLLCYFJBT-GUYCJALGSA-N 396.469 -0.982 30 20 GBED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)n1ccnn1 1839705451 HPENPIQZLUCUPT-DNVCBOLYSA-N 387.440 -0.291 30 20 GBED CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1)C(=O)O 1842919705 PCAHBWWBYWFCSF-ZDUSSCGKSA-N 379.461 -0.466 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1ccncc1=O 1847261354 BEVPSNDDKLCWFD-CGXNLCPXSA-N 385.424 -0.697 30 20 GBED C/N=C(/NCCN1CCOC(C)(C)C1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 261679875 CZMQLFATXABHBS-IBGZPJMESA-N 394.520 -0.017 30 20 GBED CCNS(=O)(=O)[C@@H]1CCN(/C(O)=N/C[C@H]2CCN(S(C)(=O)=O)C2)C1 329125411 SWNAJVKZMGIIHH-VXGBXAGGSA-N 382.508 -0.805 30 20 GBED O=C(C/N=C(/O)c1ccccc1S(=O)(=O)N1CCOCC1)N1CCOCC1 329404381 AKZFZRPRDFYWBO-UHFFFAOYSA-N 397.453 -0.129 30 20 GBED N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)o1 428167302 VINNXWKXWDLUPW-UHFFFAOYSA-N 378.366 -0.010 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C 430216954 JSNKBRASISRMMZ-OCCSQVGLSA-N 395.423 0.498 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 482794488 ADVQAOGNIVTAMB-JKOKRWQUSA-N 380.426 -0.626 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(N)(=O)=O)nc1 490396888 ICKFKIGIPKPANM-LLVKDONJSA-N 387.425 -0.258 30 20 GBED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](C(N)=O)C1 508999905 ICQTVUWLZXLLJJ-AWEZNQCLSA-N 381.400 -0.203 30 20 GBED COC(=O)[C@@H](CF)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 565667672 OXLCTEVGQXPPHZ-LLVKDONJSA-N 379.391 -0.722 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)o1 568665349 OPSXUAKSNQRIQO-UHFFFAOYSA-N 380.382 -0.867 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCn2cccnc2=O)cc1 573621106 QZEHQGWYWRZSLJ-UHFFFAOYSA-N 375.410 -0.400 30 20 GBED C=CCNC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 582072584 ADSVCPURDTVUBR-NSHDSACASA-N 386.455 -0.543 30 20 GBED CN1CCN(c2ccc(CNC(=O)C(=O)N3CCN(CCC#N)CC3)cn2)CC1 602224309 CAHGLEGBGSFDRN-UHFFFAOYSA-N 399.499 -0.493 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H]2CCN(C3CCOCC3)C2=O)C1=O 746974116 WFROMRUSGVRJGM-LBPRGKRZSA-N 379.369 -0.714 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nnnn2CC(F)(F)F)C1=O 758450143 URIWXCCXODZDMF-UHFFFAOYSA-N 376.251 -0.745 30 20 GBED CN(C(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C(C)(C)C#N 786360763 HNDGDZSOBQPFLD-YIKOMLBNSA-N 377.397 -0.157 30 20 GBED COC[C@](C)(C#N)NC(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 821680918 ZPHISNFVJOTVLT-HNNXBMFYSA-N 378.414 -0.174 30 20 GBED Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3CCOC[C@H]3C#N)CC2)o1 822423135 HVISVRNSTYJXEK-GFCCVEGCSA-N 387.404 -0.964 30 20 GBED CCN(OC)C(=O)CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 834332441 IYBBVVPEKCSULR-UHFFFAOYSA-N 385.384 -0.337 30 20 GBED N#Cc1ccc(NCCNC(=O)C(=O)Nc2cccc(OCC(N)=O)c2)nc1 915777642 MDXMJFKGTBBLLN-UHFFFAOYSA-N 382.380 -0.016 30 20 GBED C#CC1(O)CN(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)C1 929944857 UWPANFZUAAXUCY-UHFFFAOYSA-N 378.454 -0.166 30 20 GBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)nn1 970859031 WBTLESCVYGKILF-HWMZRRJGSA-N 382.424 -0.036 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)C[C@H]1O 1025711173 IJKYVDKCMBTPNS-FPCVCCKLSA-N 379.457 -0.476 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 1109150992 NZYMUQCWNKKXGN-WCVJEAGWSA-N 375.473 -0.004 30 20 GBED C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC(=O)NC)CCOCC1 1109391011 OCNIMHDTNCIERP-ILXRZTDVSA-N 376.457 -0.016 30 20 GBED CC(C)N1C[C@@H](NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1=O 1117198703 IXJGUCZSLITSRR-KBPBESRZSA-N 399.455 -0.489 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NCc1nc([C@H]2CC[C@@H](CNCC(N)=O)O2)n[nH]1 1130783311 WOWMSHHAKAQQRG-RFQIPJPRSA-N 392.460 -0.303 30 20 GBED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)C(C)C 1303412604 ZOVOSIWHQAAMAL-ZDUSSCGKSA-N 377.449 -0.083 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](C(=O)NC3CC3)C2)c1=O 1318212324 CFFNTYFVKGRXGB-AWEZNQCLSA-N 389.456 -0.508 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCCN2CCN(C)CC2)C1=O 1321752615 QLXBDDVVCOYFNI-INIZCTEOSA-N 379.505 -0.625 30 20 GBED CCN(CC)C(=O)N1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 1322620987 FJDMNQHWHPJSQH-UHFFFAOYSA-N 378.477 -0.303 30 20 GBED CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1 1326597769 UOCXTDUXEFSYBQ-ZWKOTPCHSA-N 385.468 -0.180 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1327037716 BUERNWVPYOCFLT-FZKQIMNGSA-N 383.412 -0.738 30 20 GBED N#CC[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C1 1327257855 QMZNOLIZPOEIME-CQSZACIVSA-N 384.440 -0.019 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CCN1C1CC1 1329271489 BTVZXVVDUKEIMR-IRXDYDNUSA-N 375.473 -0.492 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC1CCN([C@H]2CCC[C@@H]2O)CC1 1329484976 WMWJBMRMEJFGIG-GJZGRUSLSA-N 387.502 -0.803 30 20 GBED COCCS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1 1343455164 YGLBOSSTMLVHEH-AWEZNQCLSA-N 395.437 -0.526 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCCNCCc2cnn[nH]2)C1 1575014222 YMAPOEGMJMFFNG-HUUCEWRRSA-N 376.461 -0.670 30 20 GBED N#CCSCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 1581858472 HURWYFOLPAXAKL-JQWIXIFHSA-N 390.429 -0.857 30 20 GBED C#CCNC(=O)CN(C)C[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588354684 VYBVXDJSBMTVJS-ZDUSSCGKSA-N 384.444 -0.129 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@@H]2O)cn1 1588370094 MUPRZBFQXCPMKJ-KGLIPLIRSA-N 377.368 -0.988 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)cn1 1588407190 ZYDBGYWKCIOMLK-UONOGXRCSA-N 388.432 -0.378 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@H](C(=O)O)C(C)C)cc1 1588486253 OOIJEFMGZVHJJE-HNNXBMFYSA-N 396.421 -0.020 30 20 GBED N#CCNC(=O)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1592677937 MDWFREQIWFSGKS-KBPBESRZSA-N 383.416 -0.487 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCO[C@H]1C(=O)O 1593339244 JWSZJCGHSSQUKS-MPKXVKKWSA-N 381.410 -0.169 30 20 GBED C#CCN(CC#C)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1C[C@@H]1CCCO1 1602720280 RZEDNTDGRHIUOZ-ZDUSSCGKSA-N 393.415 -0.650 30 20 GBED C=CCCn1cc(C(=O)N2CC(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nn1 1602846174 DZNKHSFJEXYJRG-UHFFFAOYSA-N 382.388 -0.383 30 20 GBED CCOC(=O)C1([S@@](C)=O)CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1604368547 VKEXOOZQUJLFAR-HHHXNRCGSA-N 390.429 -0.191 30 20 GBED CNS(=O)(=O)CCCNC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1604893557 LHJJHGSOUKCBER-ZDUSSCGKSA-N 377.430 -0.396 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c1 1780335704 FEGNHKQIFONTNV-LJQANCHMSA-N 396.407 -0.413 30 20 GBED CCN(C)[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1781459059 YJXDVWCRYJAHHQ-SPYBWZPUSA-N 379.457 -0.072 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1791261006 IPAHGTPNOFGGBI-MNXVOIDGSA-N 381.454 -0.003 30 20 GBED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]2C1 1791312968 CJUMLTJKUOPPGG-NAKRPEOUSA-N 397.419 -0.037 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCOCC2)n1 1796618311 MQYTXRLYCOGIMA-CCWDJLKJSA-N 384.436 -0.245 30 20 GBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OC(C)(C)C 1799684619 JHUHAUKZYADJMH-IARIHHJXSA-N 395.456 -0.168 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnc3ccccc31)C2 1800781283 WNYSCMCCYWPOLY-VTEUUUEMSA-N 396.403 -0.286 30 20 GBED CC(=O)NCCC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812663331 JMZVJGREOHLNLD-DNVCBOLYSA-N 386.408 -0.298 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1831393437 LZWDRCIWWAHLDG-QFBILLFUSA-N 390.440 -0.622 30 20 GBED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)N1C[C@@H]2C[C@H]2C1 1834761346 ZANLBCNYBLFLKS-DRMAHVMPSA-N 376.457 -0.303 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1835449155 ACUOMEICZHJZQP-LJQANCHMSA-N 381.473 -0.259 30 20 GBED Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)c1 1836196726 WOWNZMCXVFVHPA-GOSISDBHSA-N 375.429 -0.048 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)cc1)CCO2 1838956980 WAEMPQUJCCJRRP-LJQANCHMSA-N 390.367 -0.016 30 20 GBED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1839649106 YGNDWBIGGSBYNC-GGAOBQQXSA-N 385.486 -0.199 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3OC)C2)C1 1840841140 FDKIEYUPDUGPBC-LJQANCHMSA-N 388.424 -0.031 30 20 GBED COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCn2cnc(C#N)n2)cc1 287049896 WYPKUSRYCFPIDO-NSHDSACASA-N 378.414 -0.358 30 20 GBED C=C[C@@](C)(CCOC)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 331228367 GOQVENLCWQEWBE-KRWDZBQOSA-N 388.534 -0.148 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(C#N)cn1 349520978 SFNQQZJYKFLXAU-GFCCVEGCSA-N 385.471 0.506 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCSC 443667290 HEIGBOHMWCUTFN-UHFFFAOYSA-N 389.506 -0.188 30 20 GBED COCC(=O)N1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 532896927 LFSOERYXGDKFSB-UHFFFAOYSA-N 390.444 -0.706 30 20 GBED C[C@H](N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)NC1(C#N)CCCCC1 533383539 PDGMULYFEGPSPX-HRCADAONSA-N 398.529 -0.195 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1 557542702 IQCVJFKSJOFCKD-NOLJZWGESA-N 376.438 -0.051 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)N2C(=O)c3ccc(C)cc3C2=O)CC1 728533770 STSYWUDKUNELSH-HNNXBMFYSA-N 396.447 -0.127 30 20 GBED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@]1(C(=O)O)CCOC1 776681188 VJGPCKDEMVHAGN-MRXNPFEDSA-N 381.410 -0.135 30 20 GBED N#Cc1ccc(NCC(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 778104223 GEPKRCPVSJJZHV-ZDUSSCGKSA-N 394.409 -0.474 30 20 GBED C[C@@H](CNC(=O)C(=O)NCCNc1ncccc1C#N)CN1CCN(C)CC1 790182241 AEMFXBZSECXLNE-HNNXBMFYSA-N 387.488 -0.519 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)[C@H]1CCCO1 809312069 LJIIJFSUSDOHFB-HZPDHXFCSA-N 384.440 -0.454 30 20 GBED C=CCC1(S(=O)(=O)NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 810985708 QWBNYHKLILEHOG-RYUDHWBXSA-N 390.483 -0.423 30 20 GBED COC(=O)N(C)CCN(C)C(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 850596171 MCYXBOJNJIMBAY-UHFFFAOYSA-N 379.421 -0.589 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CN2CCC[C@H](C(=O)OCC)C2)CC1 900560338 IGOIXKZBSHIILP-INIZCTEOSA-N 378.473 -0.845 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1C 949529892 QROAKYFQWMNTHA-SYQHCUMBSA-N 390.444 -0.679 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@@H]21 975786587 UXNBWIDMITXQGC-FZKCQIBNSA-N 389.456 -0.378 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@H]21 1021799049 YCKXDIDPJRLDNG-DGAVXFQQSA-N 391.428 -0.270 30 20 GBED C=CCN(CC=C)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 1109601939 UZWCAOKKTFJYAD-UGUYLWEFSA-N 375.473 -0.068 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCOCCNC(C)=O)nn1 1111112699 ZXZILYLJIFQWQO-INMHGKMJSA-N 376.461 -0.048 30 20 GBED C#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccnc2)C1 1129284133 IRLHMPKMROIDMU-MLHJIOFPSA-N 393.451 -0.432 30 20 GBED CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)c1 1318586605 LKGGESSLEDQYPW-UHFFFAOYSA-N 393.469 -0.020 30 20 GBED CS(=O)(=O)CCCNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 1327742679 VQKRRSGIKBMLHG-UHFFFAOYSA-N 378.454 -0.242 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)CC1 1335490103 ISTLXNBSYRFCNO-KRWDZBQOSA-N 399.517 -0.131 30 20 GBED Cn1ncc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1Br 1341915899 SNLAVRILNODRNE-MRVPVSSYSA-N 389.231 -0.238 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1CN(S(C)(=O)=O)C1 1343046329 MMOKISVIHPRBLK-GFCCVEGCSA-N 393.473 -0.540 30 20 GBED COc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](C#N)C3)C2=O)cc1 1346554697 CKOISNGJQICUGP-HZPDHXFCSA-N 386.408 -0.337 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCO[C@@H](C(F)F)C1 1355908684 ZZJAOJLXCVJVHT-LLVKDONJSA-N 382.371 -0.001 30 20 GBED C#CCNC(=O)CC(=O)N1CCC2(CC1)C[C@@H]2NC(=O)CCCc1cnn[nH]1 1575004231 BLFTVFJYKUVLPS-HNNXBMFYSA-N 386.456 -0.236 30 20 GBED CN[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1578585517 YHVGCPIXGCZYDE-MJBXVCDLSA-N 399.521 -0.185 30 20 GBED CO[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 1579850814 ADTFNGCZRBBHJO-ZIAGYGMSSA-N 395.383 -0.336 30 20 GBED N#Cc1nccnc1N1CCO[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1581885538 DKEVWUZENGBVAN-LLVKDONJSA-N 380.372 -0.508 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O 1588504130 JCEMOQBPHUIJNC-RVKKMQEKSA-N 390.419 -0.006 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 1588525472 HRFYSKLPQQIUEN-CYBMUJFWSA-N 386.416 -0.773 30 20 GBED C=CCn1cc(C(=O)N2CC[C@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)[C@@H]2C)nn1 1588711921 YFOHRRTYHNVFSJ-QWRGUYRKSA-N 381.404 -0.429 30 20 GBED CC#CCNCCNC(=O)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588751206 LBMPWIZBKWJTFT-CYBMUJFWSA-N 384.444 -0.224 30 20 GBED C[C@@H](C(=O)N1CCC(C#N)(C(=O)O)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1589346040 KHVVGVZEVBCZOM-CKIKVBCHSA-N 375.381 -0.246 30 20 GBED CN(C)S(=O)(=O)CCNC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1591023615 UXSBAIAJCMSHRV-ZDUSSCGKSA-N 377.430 -0.443 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(c2snc(C)c2-c2nn[nH]n2)CCO1 1602725871 NOEZFOHMCPQLAR-NWDGAFQWSA-N 391.457 -0.009 30 20 GBED C=CCS(=O)(=O)CCNC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1 1609059048 MLXIYUWEJQLNEH-UHFFFAOYSA-N 378.414 -0.687 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc(O)[nH]3)C2)C1 1779641956 RWTRBBSHPOCCRE-GOSISDBHSA-N 390.444 -0.159 30 20 GBED CC(=O)NCCC(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1783190014 SDRWGLFGGCGRDC-DBRLUCFCSA-N 393.488 -0.186 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1783566593 FGJLHTYGSKXDDY-INIZCTEOSA-N 378.772 -0.339 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CC(O)C3)[C@H]2C1 1783992579 YNJKQZSFRLTOAF-FODCSFCRSA-N 391.468 -0.405 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 1792579351 YOUQAUSLVVUTDU-SVZOTFJBSA-N 377.441 -0.860 30 20 GBED Cn1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)cn1 1795597980 NTWVYKBLUKRJJW-MUJYYYPQSA-N 388.472 -0.095 30 20 GBED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@@H]1C=CCN1 1796311713 GVTRBFXUCPKTDN-VIBKROMUSA-N 392.456 -0.367 30 20 GBED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2 1797811039 FPKFRUGEDFLFKT-VIBKROMUSA-N 392.456 -0.367 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(CO)on1 1798733835 JMHPMIMYFUCUIG-VZAMPYOESA-N 393.440 -0.057 30 20 GBED C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1801002634 FDVTVPTUUKAFOP-GTYSZEQSSA-N 378.425 -0.395 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1831485254 AHKYTLYLDZLOOO-JCKWVBRZSA-N 399.513 -0.324 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc[nH]3)CCO2)C1 1834097911 UPVGLKUALDSZNF-KBXCAEBGSA-N 376.413 -0.482 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836141849 ASKCKMVMMPPHOB-ZBFHGGJFSA-N 398.489 -0.916 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncon3)CCO2)C1 1838320312 HUACBMLYFWNYSF-CXAGYDPISA-N 395.416 -0.060 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4C=CS[C@H]43)C2)C1 1840044767 WRBZCYNVKXUUBD-HALQFCHDSA-N 392.433 -0.594 30 20 GBED O=C1CC[C@H](C(=O)N2CCCC23CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)N1 1842797147 XPMWTOBKKDLZHA-PQBAJORESA-N 378.429 -0.003 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844297008 OFSKRAYGEYNAQL-ZBFHGGJFSA-N 382.461 -0.359 30 20 GBED CN[C@H](CC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1)C(=O)O 1844300327 ZHZZSCPVOTVQQV-RCWWIMPZSA-N 396.444 -0.219 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 15516562 BZQRZUBLIHQFBB-UHFFFAOYSA-N 381.454 -0.241 30 20 GBED COC(=O)CN(CC(=O)OC)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 268807969 IFJYVUZZYGULQX-NSHDSACASA-N 397.409 -0.600 30 20 GBED CC(=O)N1CCN(C(=O)CC/N=C(/O)N[C@H](C)[C@H](C)N2CCOCC2)CC1 329209602 CFRRAHXGOZIYRU-CABCVRRESA-N 383.493 -0.320 30 20 GBED CN1C[C@H](/N=C(/O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CCC1=O 329337074 MHVBTDYIKUODSR-ZIAGYGMSSA-N 388.490 -0.352 30 20 GBED C[C@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1cccc(C#N)n1 349477013 IGDDCHSRHJPKOC-NSHDSACASA-N 376.460 -0.273 30 20 GBED CNC(=O)[C@]1(C)CCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)C1 349495653 MKAVVKNQYXHEFO-CYBMUJFWSA-N 392.503 -0.860 30 20 GBED C[C@@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(C)C1(C#N)CCC1 349515303 BQMAAEUZSUDJHK-GFCCVEGCSA-N 392.503 -0.766 30 20 GBED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1cn(CC(=O)OC)nn1 441797392 SWQLHZKBWMQSQM-UHFFFAOYSA-N 386.368 -0.024 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)N3C[C@H]4C(=O)NC(=O)[C@H]4C3)C2=O)cc1 458627549 GTXZXCXEXQWMNB-ZNMIVQPWSA-N 381.392 -0.032 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C 535894838 JHJHWGQESXHQPG-UHFFFAOYSA-N 379.388 -0.009 30 20 GBED CN1CCC(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 559389912 NTTKHSGSMNJSOQ-QGZVFWFLSA-N 383.452 -0.014 30 20 GBED CN(C)CCNC(=O)Cn1cc(NS(=O)(=O)c2cncc(C#N)c2)cn1 578408373 XOLHBXGRNTZJLI-UHFFFAOYSA-N 377.430 -0.372 30 20 GBED COCCOCCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 585732116 OLWLOSHVOXWCFU-UHFFFAOYSA-N 391.428 -0.149 30 20 GBED CCOC(=O)c1c(NC(=O)C(=O)N[C@H]2C[C@H](O)C2)c(C#N)cn1CCOC 595228079 YGFYQQJQNYPHOX-HAQNSBGRSA-N 378.385 -0.239 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc23)CC1 728608513 DXNCZHRVEYUTPO-CQSZACIVSA-N 396.451 -0.425 30 20 GBED C#CCN1CCN(C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)CC1 742075504 ZLLUCNVCTINJNH-UHFFFAOYSA-N 377.466 -0.061 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@H](O)C(=O)OC)CC2)c1 747521542 XCOAIJXLRDHDKC-INIZCTEOSA-N 394.449 -0.016 30 20 GBED C[C@H](NC(=O)CON=C1C(=O)Nc2cc3c(cc21)OCCO3)C(=O)N(C)C 762672635 XXZQDFFORGDJTO-VIFPVBQESA-N 376.369 -0.277 30 20 GBED O=C1NCC2(CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)O1 781837457 BHSWMURFUPFWDD-UHFFFAOYSA-N 378.410 -0.174 30 20 GBED CC[C@]1(C)NC(=O)N(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 784861377 JOVAZLWAVTUIDO-INIZCTEOSA-N 393.425 -0.133 30 20 GBED COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NCCNc1ncccc1C#N)CC2 787760860 VUQUSDVOTILRTC-CYBMUJFWSA-N 398.427 -0.650 30 20 GBED CN(C)c1nc(N)nc(COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n1 791187105 GZKUJIXCSSAMLQ-UHFFFAOYSA-N 391.413 -0.587 30 20 GBED CN(C)c1nc(N)nc(COC(=O)CNS(=O)(=O)c2ccccc2C#N)n1 791187361 ITSSERSOGHSLCR-UHFFFAOYSA-N 391.413 -0.587 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc(F)c2C(=O)O)CC1 833365138 CFWGJNNXITZDTB-UHFFFAOYSA-N 397.428 -0.030 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC(N2C[C@H](C(=O)O)CC2=O)CC1)[C@@H]1CCCO1 846334194 YFBCTKNGSCBSOH-SNPRPXQTSA-N 391.424 -0.793 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 914665572 XESBQRISRDGHDV-LBPRGKRZSA-N 393.421 -0.898 30 20 GBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)nn1 969648478 CQZJKGMNDHDCCI-JXFSHQFZSA-N 385.428 -0.697 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2CCN(C)C(=O)C2)[C@@H]1C 990124948 ULBFJGLANQNYRF-WCVJEAGWSA-N 378.473 -0.543 30 20 GBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1O 1024957468 SZLBQAFXXYKMPN-UTRMSSBJSA-N 385.464 -0.383 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCc1cccc(OCC#N)c1 1118618799 LYQRGVYUBDOFHL-ZIAGYGMSSA-N 381.410 -0.867 30 20 GBED CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1118890339 JLUVCHOCXJCAGN-MRMLTLRBSA-N 384.458 -0.121 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)[C@H](OC)C1 1212293411 MSFBTASSNMWRNN-KLHDSHLOSA-N 393.488 -0.521 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)C[C@@]1(O)CCc2ccccc21 1261472124 HEFOOCVDSBCCNW-SFHVURJKSA-N 380.466 -0.004 30 20 GBED C[C@@H]1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C[C@@H]1NC(=O)C(F)(F)F 1261628390 XWYDTFBIXCLJAC-VWYCJHECSA-N 376.335 -0.347 30 20 GBED Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@]3(O)CCOC3)CC2)c1C#N 1290576460 FQTIVGRVOPMTNZ-GOSISDBHSA-N 386.460 -0.022 30 20 GBED N#CCN1CCC[C@H](CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 1319040920 OHNJUNDBXSVXBS-CYBMUJFWSA-N 378.454 -0.089 30 20 GBED CNS(=O)(=O)CCNC(=O)C(=O)N(CCOC)Cc1ccc(C#N)cc1 1323379213 UPPQVWRWBGROCY-UHFFFAOYSA-N 382.442 -0.801 30 20 GBED CCCNC(=O)C1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1329773426 HERQAFBMSRRKNC-MRXNPFEDSA-N 375.473 -0.050 30 20 GBED COCCN(C(=O)C(=O)Nc1cc(C)c(C#N)cn1)[C@H]1CCS(=O)(=O)C1 1332895063 UKXNPEHSZBAKBI-ZDUSSCGKSA-N 380.426 -0.138 30 20 GBED COCCn1c(CN2CCC(O)CC2)nnc1N1CCN(CCC#N)CC1 1345443993 MCQJIWLLVMZJJC-UHFFFAOYSA-N 377.493 -0.083 30 20 GBED C#CCOCCC(=O)NC[C@H]1COCCN1c1cc(C)ncc1-c1nn[nH]n1 1573287554 DDPQFDQITLQHBV-AWEZNQCLSA-N 385.428 -0.069 30 20 GBED C#CCN(CCOC)c1nnc([C@H]2COCCN2)n1CCCN1CCOC1=O 1574666981 LIHWVXBYPWRNDD-OAHLLOKOSA-N 392.460 -0.133 30 20 GBED C=CCOCC(=O)NC[C@@H]1CCCCCN1C(=O)CC(=O)NCc1cnn[nH]1 1575110577 UHHQSUQNTXCESJ-HNNXBMFYSA-N 392.460 -0.099 30 20 GBED C[C@@H](C#N)C(=O)N1CCC(N(Cc2cnn[nH]2)C(=O)C2(NC(N)=O)CC2)CC1 1575176370 GDDMAWQKOBRUNV-NSHDSACASA-N 388.432 -0.515 30 20 GBED C#CC[C@@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588331638 QHPGLGXIWQMJKT-PWSUYJOCSA-N 378.414 -0.966 30 20 GBED C#CCNC(=O)CC(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1602722429 QVQICVNTAXLTPC-QGZVFWFLSA-N 384.400 -0.945 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)O)c2ccn(C)n2)c1 1602725819 IHRURVONZRNAKR-AWEZNQCLSA-N 376.394 -0.113 30 20 GBED N#Cc1cnccc1N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1606388974 IUDHKUIICTVPKF-KRWDZBQOSA-N 379.384 -0.167 30 20 GBED CO[C@@]1(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCS(=O)(=O)C1 1618731565 NLBLGERPGLPVTL-QAPCUYQASA-N 391.449 -0.021 30 20 GBED CCN(CCC#N)S(=O)(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1621659000 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CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1797694963 MUZSQEHOLMBIQI-FAYQHZLMSA-N 376.457 -0.303 30 20 GBED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COCCO)cc1 1799335462 FQYMNCHAYPUUIE-XEMDLRDOSA-N 387.436 -0.301 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS[C@H]1CCCCO1)C2 1800777311 PKBVZLKYSKTSOC-GGNLRSJOSA-N 396.465 -0.076 30 20 GBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)C2 1802022134 WQRXULHPUTWTNW-ZZVJUGKHSA-N 392.481 -0.208 30 20 GBED C#CC(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1812525628 BYQVLHYYTZSOQK-KBXCAEBGSA-N 392.419 -0.026 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)CCn3ccnn3)sc2C1 1826879079 JUJRJIJZRRJORN-SNVBAGLBSA-N 388.409 -0.175 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccc(OC)cc1)CCO2 1830219043 AQMJUFKEFBZIBX-ICSRJNTNSA-N 388.420 -0.182 30 20 GBED CC(C)[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833349464 LSFFPCHBVHEASP-GOSISDBHSA-N 379.457 -0.337 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1837277769 PHEWQTQXPZZGOT-MEDUHNTESA-N 398.489 -0.906 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1840164366 GVHXWEZQELKKDD-KBXCAEBGSA-N 399.513 -0.226 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CO)C[C@@H](O)c2ccccc2)C1=O 270385728 WQXKWKYRYVGWLF-UONOGXRCSA-N 375.381 -0.436 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3cnn(CC(N)=O)c3)CC2)cc1 298905024 DDXIYUDTOGTRGO-UHFFFAOYSA-N 395.423 -0.477 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C)C[C@@H]1C 349469015 ANQZFKTZUDCPFF-RYUDHWBXSA-N 380.492 -0.958 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)C2)ncc1C#N 349520612 KBWXBWJSNJYESO-CYBMUJFWSA-N 388.471 -0.210 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 349525867 RZOZZPZKFSHJCD-OLZOCXBDSA-N 392.503 -0.766 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)N(C)C(C)(C)C#N)C[C@H]1O 349600319 LLFHRSRAIPSKQK-QWHCGFSZSA-N 381.520 -0.027 30 20 GBED COCCO[C@@H]1C[C@@H](CO)CN(S(=O)(=O)N(CCC#N)CCOC)C1 410423407 ROTFOIDBFKNSJD-HUUCEWRRSA-N 379.479 -0.561 30 20 GBED C=CCOC[C@@H](NS(=O)(=O)c1cccc(S(N)(=O)=O)c1)C(=O)OC 481589346 RRWAAESXYOKLIM-GFCCVEGCSA-N 378.428 -0.644 30 20 GBED CS(=O)(=O)N1CCN(S(=O)(=O)N(CCC#N)Cc2ccccn2)CC1 481844098 SNXGAPDZBDJKFG-UHFFFAOYSA-N 387.487 -0.381 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2nnnn2CC2CC2)c1 521321909 OAIVOXJSURHORV-UHFFFAOYSA-N 375.414 -0.451 30 20 GBED C[C@@]1(CO)CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@]1(C)CO 530275958 IXVZRKHOAKRYBM-CALCHBBNSA-N 381.454 -0.324 30 20 GBED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN2C(=O)NC(=O)[C@@H]2C1 535667771 SXVHKAWMIFRWKO-AWEZNQCLSA-N 379.380 -0.082 30 20 GBED Cn1cc(S(=O)(=O)NCC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cn1 557474777 RBLRCQXMGROJJL-ZDUSSCGKSA-N 390.425 -0.355 30 20 GBED CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N2CC[C@](C)(C#N)C2)cn1 595185214 WPYGYJURGLNZCF-WMLDXEAASA-N 393.469 -0.037 30 20 GBED CCS(=O)(=O)C1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 595520306 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CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC[S@](C)=O)cc1 848941840 LFEGQUBCNYVZIR-QFIPXVFZSA-N 393.512 -0.122 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C3CC3)nn2C)CC1 906961203 FUNOKLNNXNERDO-UHFFFAOYSA-N 379.486 -0.257 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cncn1 960990308 ORUPGMGPDNOEPA-FXUDXRNXSA-N 375.429 -0.303 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)Cn2cccn2)C1 990815809 WVRHKNCDECXPGW-WCVJEAGWSA-N 385.428 -0.366 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC(=O)NC(=O)N2)cn1 998954447 MTXIJNDFVAOBLG-QPSCCSFWSA-N 381.392 -0.477 30 20 GBED Cc1ccc(C#N)c(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)n1 1041347541 ZMQSCKZHCXAFHZ-FPCVCCKLSA-N 387.440 -0.437 30 20 GBED C[C@@H](C#N)C(=O)NC1CCN(CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1055610416 FNZCHUDUULEFIH-NXNVCVFFSA-N 378.473 -0.106 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(CC(=O)N3CCOCC3)C[C@@H]21 1083198529 ACMXHLAFMNNMHK-LTIDMASMSA-N 379.457 -0.652 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@@H]1CCNC1=O 1109396902 LJLPULBBQPKDRT-FZKCQIBNSA-N 375.473 -0.004 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1[nH]nnc1C 1109588389 BRJHCUMTOLUFIZ-RNJOBUHISA-N 375.433 -0.151 30 20 GBED C#CCSCCNC(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 1117318803 ATTMWOYMANTBAH-CYBMUJFWSA-N 391.515 -0.926 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H](N)CCO2)C1 1118266686 LXNKMOUCJOAVEB-ZNMIVQPWSA-N 387.502 -0.552 30 20 GBED CS(=O)(=O)CCn1cccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)c1=O 1324394000 BEVSTWNCZJQJCR-HNNXBMFYSA-N 384.389 -0.704 30 20 GBED CC(C)(C)[C@H]1CN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCO1 1324578630 SXVMPHSSFXIKCQ-LTOKCNDWSA-N 378.429 -0.098 30 20 GBED CN1CCN(C)[C@@H](CNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 1326586993 XRHSEGUSZKKKJZ-KRWDZBQOSA-N 399.499 -0.600 30 20 GBED Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2=O)n1 1330411358 VZBUSZNXOVDQKN-LSDHHAIUSA-N 399.455 -0.770 30 20 GBED C=C(CC)CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1345397041 GTEOTHQOQDZBIT-AWEZNQCLSA-N 375.491 -0.032 30 20 GBED CN(Cc1ncnn1CC(F)F)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1348665278 AXQCRZXSOJQDOU-LBPRGKRZSA-N 381.387 -0.300 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)nn1 1349029064 BBOMAEAEPJYQDT-DLBZAZTESA-N 390.488 -0.036 30 20 GBED N#Cc1ccc(N2CCOC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)nn1 1581871191 KUZBCLOKZIIGGD-LBPRGKRZSA-N 380.372 -0.508 30 20 GBED C#CCNC(=O)CN(C)C[C@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588354683 VYBVXDJSBMTVJS-CYBMUJFWSA-N 384.444 -0.129 30 20 GBED C#Cc1cncc(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1 1588380811 MQFLBDDHERIKRX-CYBMUJFWSA-N 380.368 -0.908 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1 1588526156 QVFSRICOEALNJD-ZDUSSCGKSA-N 385.428 -0.168 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c1 1780330754 HBTQGMQJSHPESJ-SFHVURJKSA-N 387.396 -0.218 30 20 GBED CC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015765 ZSMNBWQWSKDPPG-RVZJWNSFSA-N 379.413 -0.887 30 20 GBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCN(S(C)(=O)=O)CC1)CCO2 1783050406 RKAZTZKUKIHISP-QGZVFWFLSA-N 383.470 -0.879 30 20 GBED COC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1784262645 ZEOCBWHJRYMYFV-DYVFJYSZSA-N 384.433 -0.027 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](NC)C(=O)O)C[C@@H]21 1784501232 LVIVIKQEYBLHBJ-YXMSTPNBSA-N 397.472 -0.380 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)C[C@@H]21 1790791604 IQTPICGDMFWYNV-DKKFBCOVSA-N 378.454 -0.598 30 20 GBED O=C(O)C#CC(=O)Nc1ccc(C2(NC(=O)CN3C(=O)CNC3=O)CCC2)cc1 1791443367 NFKOYVZYQQHTGR-UHFFFAOYSA-N 398.375 -0.240 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1 1792282905 GBEQIDNXENOLGV-XUXIUFHCSA-N 382.461 -0.793 30 20 GBED CC(C)(C#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2 1792705455 FMJKYWFIEMROSL-JGPRNRPPSA-N 384.400 -0.386 30 20 GBED C[C@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1)n1cnnn1 1822203757 NTTNDQYPDLSHHU-PWSUYJOCSA-N 386.372 -0.263 30 20 GBED CN(C)C(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825660663 PONRLMQALHCYED-VIFPVBQESA-N 393.425 -0.586 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834230054 IJPSQRWJFPMHFU-KXBFYZLASA-N 390.440 -0.472 30 20 GBED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1)C(F)(F)F 1839865828 WHFVQOOHWOTWML-HNNXBMFYSA-N 393.362 -0.173 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1840173791 RQEOHTCVCWGFCB-PBHICJAKSA-N 385.417 -0.917 30 20 GBED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1840295337 JJNSLKTWBRQLNL-IBGZPJMESA-N 395.456 -0.008 30 20 GBED C#CCCN1CCN(CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 271985323 CMXDXZPWODBCOU-UHFFFAOYSA-N 396.499 -0.347 30 20 GBED C=CCCOCCNC(=O)C(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(CC)c1 289404477 NRRFQGMIRNCFDU-OAHLLOKOSA-N 398.485 -0.090 30 20 GBED N#Cc1cncc(S(=O)(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1 290564209 SHANFMXCTSGGRT-UHFFFAOYSA-N 376.398 -0.191 30 20 GBED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)NC)CC1 298490524 UBAZJIGJBPOSQN-UHFFFAOYSA-N 395.441 -0.496 30 20 GBED C=CCN(C(=O)CCNS(=O)(=O)c1cccnc1)[C@@H]1CCS(=O)(=O)C1 299164300 QEWRTCJVNUUWKM-CYBMUJFWSA-N 387.483 -0.048 30 20 GBED CN1C(=O)C[C@H](/C(O)=N/C[C@](C)(O)CN2CCOCC2)[C@@H]1c1ccnn1C 328887475 PLZUBMZBGOBETE-XCRHUMRWSA-N 379.461 -0.021 30 20 GBED Cn1ncc2c1CCCN(S(=O)(=O)CCCS(=O)(=O)NCC#N)C2 349478611 KGDFXQRKTIVARU-UHFFFAOYSA-N 375.476 -0.669 30 20 GBED CN1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C2(C#N)CCC2)CC1=O 349618773 RAOWRBDKXAUJGW-LBPRGKRZSA-N 392.503 -0.766 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1=O 440259598 LDKGLTVBYFIUSJ-CYBMUJFWSA-N 380.426 -0.482 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)C(=O)N1CCOCC1 481490466 KFZNAWGTNWTRPK-CHWSQXEVSA-N 394.453 -0.411 30 20 GBED N#Cc1ccc(O[C@H]2CCN(C(=O)NC[C@H]3CS(=O)(=O)CCO3)C2)nc1 489945602 NZNGETDPKMLOMS-KBPBESRZSA-N 380.426 -0.070 30 20 GBED CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1F 509019059 ZKZZNMSUBQRQLN-UHFFFAOYSA-N 388.363 -0.245 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O 510493990 XPDFORSJRYMUOK-DOMZBBRYSA-N 387.462 -0.454 30 20 GBED C=CC[C@@H](CO)CNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 540421598 BZZHFTBNJPEYLU-GFCCVEGCSA-N 389.499 -0.037 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCn3ccnc3C2)cc1 569502392 KWWIDMPKKVROKD-LBPRGKRZSA-N 395.466 -0.022 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1CCOC 588619348 RBYUQJADMKTMFT-UHFFFAOYSA-N 391.424 -0.047 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCNS(C)(=O)=O)C1 758325024 MOMKIGHKLDCWEG-MNOVXSKESA-N 375.451 -0.406 30 20 GBED N#CC1(NC(=O)COC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CCC1 784191740 VEILBHQKVFJJST-UHFFFAOYSA-N 377.378 -0.063 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 785656298 KBOGIYDFUHXVBQ-HNAYVOBHSA-N 394.472 -0.235 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CN(C(=O)OC(C)(C)C)C2)C1=O 804748150 GJQBGLAIWJGHHR-ZDUSSCGKSA-N 380.445 -0.033 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccc(F)cc2)CC1 831560874 JWZNGPGHJLTELT-UHFFFAOYSA-N 382.417 -0.946 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)c1 846400906 RXYRFJMZINPEGK-ZDUSSCGKSA-N 385.467 -0.638 30 20 GBED C#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 848957555 AFONRHFHTQLYJU-UHFFFAOYSA-N 385.471 -0.149 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@](C)(COC)C(F)(F)F)CC1 932321064 JRFORLXSADTETG-LBPRGKRZSA-N 386.396 -0.251 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CN2CCOCC2=O)C1 1007617272 FDBNTWQUOQPOSS-QOIOWGMHSA-N 391.468 -0.066 30 20 GBED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 1093056030 FMJGOCLGOHUGQQ-ASEORRQLSA-N 378.458 -0.098 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)N3CCOCC3)CC2)n1 1116244036 YFMGRYCSAAGRHC-UHFFFAOYSA-N 389.416 -0.668 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC1(O)CCN(C)CC1 1116596022 JQOORJSJNSWWCV-UHFFFAOYSA-N 397.439 -0.041 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)C1 1118189454 PNWYQDWVYQWIIQ-KRWDZBQOSA-N 398.485 -0.720 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@]2(N)C1 1118828345 XSJKXNMIZQKZKA-BIENJYKASA-N 383.456 -0.275 30 20 GBED N#Cc1cn(CC(=O)N2CCn3ncc(Br)c3C2)c(=O)nc1O 1166824794 QZFYLOANVQHMCI-UHFFFAOYSA-N 379.174 -0.178 30 20 GBED C=C(C)CN(CC)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1220357217 DHOGFACLXKNLSW-JJXSEGSLSA-N 380.489 -0.703 30 20 GBED C=CCn1c([C@H]2CCNC(=O)C2)nnc1N1CCN(CC(=O)NCC)CC1 1262970429 JFTINXRVCXLUKI-AWEZNQCLSA-N 375.477 -0.284 30 20 GBED Cc1nc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nn1C 1324964223 FXAJJJHKISVWCA-AWEZNQCLSA-N 381.396 -0.149 30 20 GBED Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)C(=O)NC2CCN(CC#N)CC2)cn1 1326505307 FWPPBWOQSNHICK-DLBZAZTESA-N 388.472 -0.061 30 20 GBED Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)ncc1C#N 1326779200 AJYXMYWJAZQQAC-MRXNPFEDSA-N 386.456 -0.277 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 1328220619 NMVVGRUBRNKRSB-LJQANCHMSA-N 386.408 -0.025 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC23CCS(=O)(=O)CC3)CC1 1338387371 IMMPTNQZYWRALK-HNNXBMFYSA-N 381.498 -0.515 30 20 GBED C=CCn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1[C@@](C)(O)COC 1339097640 RJVSOVQZDBDOOV-SFHVURJKSA-N 378.477 -0.281 30 20 GBED N#Cc1ccc(OC[C@H](O)CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 1341438708 XENQBAOCOKWGAU-BPQIPLTHSA-N 395.481 -0.927 30 20 GBED C[C@H](CNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)CN1CCCCC1 1346278139 TXPPHFRDLIHNPK-UPTRSRDDSA-N 391.472 -0.133 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCCN(c2ncccc2F)CC1 1347197916 AAEIRAJNDNPXCW-UHFFFAOYSA-N 398.460 -0.024 30 20 GBED NCCC(=O)NC[C@H]1CCCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 1349487320 MJPJPVYSAUDZOT-OYLHUBKDSA-N 377.445 -0.251 30 20 GBED C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)CN 1574486281 MBENVQGQSGDEQH-RDBSUJKOSA-N 384.506 -0.336 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cc1 1588364474 GOEMBKJIJZTFCW-HZPDHXFCSA-N 391.391 -0.209 30 20 GBED C#C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC(=O)O)cc1 1588369837 YJABYGUULGFPIL-NSHDSACASA-N 385.423 -0.415 30 20 GBED C=CCn1cc(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)nn1 1588711982 ZNSJFQNSACIFNP-SNVBAGLBSA-N 382.388 -0.383 30 20 GBED N#Cc1ncn(CC(=O)N(CCC(N)=O)c2ccc(F)cc2)c1-c1nn[nH]n1 1592709367 BUTUISFBDWILTH-UHFFFAOYSA-N 383.347 -0.017 30 20 GBED C#C[C@H](NC(=O)N1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1)[C@@H]1CCCO1 1602689697 UPPZHARVXGRFCO-KBPBESRZSA-N 399.459 -0.079 30 20 GBED C=C(C)C[C@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1602753971 WPMOLHOUEDEAHZ-DGCLKSJQSA-N 394.457 -0.023 30 20 GBED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1782174727 BRQJXWFRKZZJEB-KVFJLYFUSA-N 398.485 -0.583 30 20 GBED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nc(N)n[nH]3)[C@H]2C1 1788506790 GIOREJFBQSYRHX-RHYQMDGZSA-N 382.490 -0.383 30 20 GBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CS(C)(=O)=O 1793371614 PVGYMAFEVPKLEB-NWBUJAPZSA-N 378.516 -0.425 30 20 GBED Cn1ncnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1794569414 SMPCWDPCICUEJQ-BTTYYORXSA-N 389.460 -0.700 30 20 GBED Cn1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)n1 1795597831 GRZCXHFRLCLHNR-BTTYYORXSA-N 389.460 -0.700 30 20 GBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)c1cnccn1 1797871524 YQACOJSBKAKJAC-ZJOBFFGXSA-N 387.440 -0.239 30 20 GBED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC[C@H](N)C(N)=O)C3)cc1 1798920408 XZRBFPREUBMGCW-DFGXFYAUSA-N 399.451 -0.646 30 20 GBED Cn1ncnc1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812876119 BVQGWIIGORYTPK-XJKSGUPXSA-N 382.380 -0.382 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)n4cnnn4)C3)C2)C1 1829675052 OPNWIOVZBDAOCH-KBXCAEBGSA-N 390.444 -0.343 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1830050957 RQBYSTXKHQWHNC-GOSISDBHSA-N 394.428 -0.555 30 20 GBED CC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1830520874 HDYICIGYQUZQNQ-YLGMEWQRSA-N 393.440 -0.074 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835431666 SEQULTHSMXPNOK-KUHUBIRLSA-N 397.472 -0.896 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835435248 OEOMGUBSOCJDQK-RDTXWAMCSA-N 398.460 -0.668 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838331571 GPAKVMJKOFQRSN-IBGZPJMESA-N 388.424 -0.060 30 20 GBED CCS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840157354 MANVOOXNLJURJP-DOMZBBRYSA-N 394.515 -0.804 30 20 GBED C[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CCN1c1nccn2cnnc12 269332039 MVDUZLAIDDXVCJ-LLVKDONJSA-N 381.400 -0.892 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCC[C@@H](CNC(N)=O)C1)c1cc[nH]n1 278106589 KRKVDNMISZBSMZ-RIVUKREYSA-N 380.405 -0.400 30 20 GBED C=CCCOCCNC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 289483472 XMDVOFNNSKRNNS-UHFFFAOYSA-N 393.444 -0.225 30 20 GBED CC(=O)N1CCN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@@H](C)C1 297639672 DNORRWUTUJKNOY-AWEZNQCLSA-N 384.440 -0.319 30 20 GBED CC(C)C/N=C(/O)NC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 330685331 LHHSTTZEQAQOFH-AWEZNQCLSA-N 397.476 -0.936 30 20 GBED C[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1S(=O)(=O)N(CC#N)CC#N 349452008 NOHMWCSTPXTCNP-CHWSQXEVSA-N 398.466 -0.132 30 20 GBED N#C[C@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(O)nn2)C1 349485749 BCOALHGAOGDQLM-GFCCVEGCSA-N 393.422 -0.419 30 20 GBED CN1C[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)CC1=O 349610039 BSLZXUWGDBOXNK-LLVKDONJSA-N 380.492 -0.910 30 20 GBED C=CCNC(=O)NC(=O)CN1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 364934605 RJFAMALWTQMTKI-LBPRGKRZSA-N 375.389 -0.145 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN([C@@H](C(=O)O)C(C)C)C1=O 417444494 CWNRDTCQRYGBNK-QWHCGFSZSA-N 390.462 -0.607 30 20 GBED C=CCOC[C@H](NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1)C(=O)OC 451380592 DVXVGBDXTAPPOQ-JTQLQIEISA-N 381.410 -0.227 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 465271043 VSFIPDWRRFVGGG-HUUCEWRRSA-N 385.472 -0.205 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 485859122 YXSDKGTYUMBXAJ-ZDUSSCGKSA-N 378.410 -0.473 30 20 GBED CN1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 498848894 FSXBSNWRSUXLRI-HOTGVXAUSA-N 397.435 -0.093 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 584877635 SJPKXSRBDNDBMN-RDTXWAMCSA-N 392.456 -0.030 30 20 GBED COCCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CC(C#N)C2)cc1 594501325 ZCILTLZGIDZAMZ-UHFFFAOYSA-N 398.466 -0.009 30 20 GBED CCNC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 594626430 PRCLPIMDLLXFGT-UHFFFAOYSA-N 386.455 -0.565 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCS(=O)(=O)C1 733956776 XJZULGKPOZOTMO-LLVKDONJSA-N 385.467 -0.191 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)OCc2noc(CCC(=O)O)n2)cc1 739129829 GPNZTSJUGNJHPZ-UHFFFAOYSA-N 394.365 -0.020 30 20 GBED C#CCNS(=O)(=O)N1CCN(CCC(=O)NCC(=O)c2ccccc2)CC1 781337969 NUABRNXICRMLGZ-UHFFFAOYSA-N 392.481 -0.539 30 20 GBED Cn1c(N)c(C(=O)COC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c(=O)n(C)c1=O 795823432 IGPIRKFACNLJSV-CYBMUJFWSA-N 395.375 -0.354 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2cc(C(F)(F)F)n[nH]2)c(=O)n(C)c1=O 799482219 BLTNUFXMCLMARF-UHFFFAOYSA-N 380.308 -0.862 30 20 GBED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NCC(=O)NCC#N 804822473 SVVMMWIUYQFCBC-LBPRGKRZSA-N 381.433 -0.352 30 20 GBED Cn1cc(S(=O)(=O)NN=C2CCO[C@@H](C(F)(F)F)C2)c(=O)n(C)c1=O 814883201 DPCMZLQVEAVGSG-SECBINFHSA-N 384.336 -0.540 30 20 GBED C=CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1 1024911406 LNDUWIRZVBBBRJ-AZGDMVHKSA-N 389.456 -0.029 30 20 GBED COCC#CCN1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)[C@@H]2CS(=O)(=O)C[C@@H]21 1108478146 DTEMGJOHGQGZFF-QSAAJNHFSA-N 394.493 -0.631 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)[C@H]2OCC[C@H]2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1108483453 HFBRQBKBUNORHN-CTASWTNQSA-N 385.486 -0.977 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN(C)C(C)=O 1110308525 FDMSSPDMEZTUFQ-NGFQHRJXSA-N 379.461 -0.414 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)n1 1117361711 VCYGFRJLONXIDT-MRXNPFEDSA-N 390.440 -0.097 30 20 GBED CN1C[C@H](c2ccccc2)[C@@H](C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)C1 1196313485 GXGASFYTQGZKSV-XMTFNYHQSA-N 385.468 -0.867 30 20 GBED C#CCNC(=O)C1CCN(CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)CC1 1256696779 JGUZAGAHISUWME-INIZCTEOSA-N 399.513 -0.890 30 20 GBED C=CCN(C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@@H](C)COC 1327763547 AGEZYPWZEQBWEJ-HOTGVXAUSA-N 380.489 -0.199 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)CCO1 1331022389 XVUHOYHVESIBPD-HNNXBMFYSA-N 388.399 -0.210 30 20 GBED CN(C)S(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1517025507 QEUFDGHVBKDVBL-STQMWFEESA-N 384.462 -0.598 30 20 GBED N#Cc1c(Br)cccc1OCC(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 1557691826 YSSMPPDEIXFGPJ-NXEZZACHSA-N 395.213 -0.255 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@H](O)CNc1cc(-c2nn[nH]n2)nc(CC)n1 1573310191 UPDYCCPYTLRDOA-QLJPJBMISA-N 376.421 -0.565 30 20 GBED C[C@@H](OCc1cnn[nH]1)C(=O)N1CCC[C@@H](CN(C)CC(=O)NCC#N)C1 1575829469 XWLJXDUEJACBNT-KGLIPLIRSA-N 377.449 -0.480 30 20 GBED O=C(C#CC1CC1)NCC1(NC(=O)CC(=O)NCc2cnn[nH]2)CCOCC1 1577745386 FJBCMTCRPHMQNY-UHFFFAOYSA-N 388.428 -0.994 30 20 GBED C#CCNC(=O)[C@H](C)N1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C(C)(C)C1 1588352923 AKGKRWSZIQSVBO-FZMZJTMJSA-N 384.444 -0.227 30 20 GBED CC(C)(C(=O)O)N1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1589623894 SMBMRKWKAWWHSB-BUHFOSPRSA-N 379.417 -0.297 30 20 GBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC(C#N)(C(=O)O)CC1 1600771452 VUMWUCZJNRLVEV-LLVKDONJSA-N 397.457 -0.079 30 20 GBED C=CCOCC(=O)N1CC[C@@]2(C1)CN(c1cnc(-c3nn[nH]n3)cn1)CCO2 1602868677 UDALSQMAWSFNDV-KRWDZBQOSA-N 386.416 -0.333 30 20 GBED CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)N1CCN(CCC#N)CC1 1604810412 KEWYEKRYTQEDSA-UHFFFAOYSA-N 382.428 -0.117 30 20 GBED CC(C)(C#N)CS(=O)(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1622136419 ILUZRKPDMGXTIN-UHFFFAOYSA-N 386.521 -0.544 30 20 GBED CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](F)(C#N)C1 1711417325 ILUJPVUYRRWSJC-CQSZACIVSA-N 387.441 -0.593 30 20 GBED C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1741856342 NGVUHFPFAMLNJW-RDBSUJKOSA-N 382.490 -0.141 30 20 GBED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780062247 DZOOACVGFPFNLU-HXUWFJFHSA-N 395.419 -0.054 30 20 GBED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2 1782175461 VWQJFQQWSQCQSA-PSTGCABASA-N 398.485 -0.630 30 20 GBED CCc1[nH]nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1F 1785794741 NAGOPTPQHNJJHG-GVXVVHGQSA-N 392.387 -0.208 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)N(C)C)[C@H]2C1 1786741567 TYEBQEYZZIBQME-ZQDZILKHSA-N 381.473 -0.373 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccnn3)[C@H]2C1 1787118096 MWEGFRONSXWWHQ-UGUYLWEFSA-N 375.429 -0.704 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 1792584591 WETFTYAWOLGLCB-SVZOTFJBSA-N 394.472 -0.097 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncn1C 1794831854 NXDOPWUOMSTLDI-OLDVJPBNSA-N 387.440 -0.518 30 20 GBED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncon1)C2 1797741207 OPBISLMQTGVCMC-BHULBIQDSA-N 376.417 -0.256 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(Cl)n1)C2 1800773804 SSAAJFWLMQOVTH-KSPBDQMDSA-N 391.811 -0.045 30 20 GBED N#CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1814493282 VVGKGNXMANJNCR-UWVGGRQHSA-N 378.458 -0.048 30 20 GBED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)n1cncn1 1831225444 UGIGULQEKUTJOL-HNAYVOBHSA-N 387.440 -0.291 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1831392585 FQVFMDQHHBVXSE-SUMWQHHRSA-N 398.485 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C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)n2[nH]cnc2n1 1847812915 PECGKZVPAVJQCV-UBHSHLNASA-N 386.412 -0.176 30 20 GBED C=CCn1c(=O)/c(=C/c2cnn(CCOC)c2)s/c1=C(/C#N)C(=O)NC1CC1 266577828 UFNLQGNHPLYDJR-NXQFMWEHSA-N 399.476 -0.280 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Cc1ccc(OCC#N)cc1)C2 276470990 XJSNOSUDKHDCOY-UHFFFAOYSA-N 398.423 -0.380 30 20 GBED C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 283659311 QGGCZYLRAFLBJN-OAHLLOKOSA-N 398.471 -0.137 30 20 GBED CS(=O)(=O)NC[C@@H]1CCCCN1/C(O)=N/C[C@H]1CCCN1S(C)(=O)=O 328748256 QKKJLHXWZQSXIJ-QWHCGFSZSA-N 396.535 -0.272 30 20 GBED CN1CCN(C)[C@H](C/N=C(/O)N2CCCC[C@H]2CCNS(C)(=O)=O)C1 329395802 XEFBULRGCSXFLV-LSDHHAIUSA-N 375.539 -0.060 30 20 GBED COc1ccnc(CNS(=O)(=O)CCCS(=O)(=O)N(C)CC#N)n1 348339974 KVZUQPCXYIQNSE-UHFFFAOYSA-N 377.448 -0.920 30 20 GBED CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)C[C@@H]3C2 349480009 MERAQMWJGKOIKW-YYFQZIEXSA-N 391.515 -0.153 30 20 GBED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@H](O)C[C@H]2CO)CC1 368412998 RCQNCNCZCVDKIV-KSZLIROESA-N 376.432 -0.038 30 20 GBED CCOC1CC(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)(N2CCOCC2)C1 410428377 WLIXVFUXVWHWJF-PCKAHOCUSA-N 388.490 -0.685 30 20 GBED C[C@@H](CCN)NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 419992435 JJJADLJWOJHXCL-ZDUSSCGKSA-N 393.469 -0.755 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)n1 442061503 UBKIWFHQQYJOGW-ZDUSSCGKSA-N 376.461 0.578 30 20 GBED N#CCCCS(=O)(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 518454624 CEDYXSWRZALADP-HNNXBMFYSA-N 393.531 -0.169 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C1(C)C 583155615 WQXIXCRVHIQYLU-UHFFFAOYSA-N 380.492 -0.862 30 20 GBED CCN(C)C(=O)CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 589031617 UNVOMDLIJUWSLN-UHFFFAOYSA-N 388.428 -0.333 30 20 GBED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@@](O)(CC#N)C2)c1 592836765 HQQOKWAXCACSQR-KRWDZBQOSA-N 394.453 -0.456 30 20 GBED COC(=O)[C@@](C)(CO)NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 595531807 LYIBYTVQMKGMEA-CXAGYDPISA-N 380.470 -0.029 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCc2cccc(C#N)c2)C1=O 726040565 WOKADAMXGANIGM-UHFFFAOYSA-N 384.348 -0.306 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)NC)ccc2C)CC1 728533227 YFDXHDDPXUWVJQ-UHFFFAOYSA-N 392.481 -0.590 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccn(CCC(N)=O)n2)cc1 735477048 JCANXEZIESPCIQ-UHFFFAOYSA-N 375.410 -0.078 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762939294 DQTYHCKDPCNCGC-MNOVXSKESA-N 381.410 -0.867 30 20 GBED CC(C)(C#N)CS(=O)(=O)NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 776145372 BAIZOJXJWMCGBU-WFFHOREQSA-N 383.426 -0.465 30 20 GBED C#CCNC(=O)COC(=O)C12CCC(C(=O)OCC(=O)NCC#C)(CC1)CC2 788998969 RVMCETCAYVVXAQ-UHFFFAOYSA-N 388.420 -0.088 30 20 GBED C#CCN1CCN(C(=O)CN2CCc3c(cccc3S(=O)(=O)NC)C2)CC1 792922154 PZPPUXJDMYITON-UHFFFAOYSA-N 390.509 -0.270 30 20 GBED CCS(=O)(=O)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 805364734 NZDPQSOSKUOKNB-IUDBQGPFSA-N 384.458 -0.215 30 20 GBED Cc1nsc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N 807988445 MIYVHZDRTALBFA-LLVKDONJSA-N 390.512 -0.038 30 20 GBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O)[C@H]1CCCO1 808229459 BLCRZQQUTUIQMN-QJPTWQEYSA-N 375.347 -0.047 30 20 GBED N#CCN1CCC[C@@H](CNC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 822810346 GCHZXYPBBXAIDQ-ZDUSSCGKSA-N 382.428 -0.052 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)c1cn(C)nn1 845137682 XFVNDJHWUCYYLB-JTQLQIEISA-N 377.382 -0.220 30 20 GBED O=C(N[C@H]1CCCN(O)C1=O)c1cccc(C(=O)N[C@H]2CCCN(O)C2=O)c1 848134795 DXSVSPXWYCLPCU-KBPBESRZSA-N 390.396 -0.093 30 20 GBED O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCCN(O)C1=O 848138009 IEBLLAYPHGYFLM-LBPRGKRZSA-N 386.386 -0.240 30 20 GBED CCNS(=O)(=O)c1cccc(CN/C(=N/C)NCCN2CCOCC2)c1 849116195 LBQSJGGVUQNSCR-UHFFFAOYSA-N 383.518 -0.018 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1 872514909 CXKXCSVBKXVLEU-UHFFFAOYSA-N 387.483 -0.222 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 875121220 QXANMVGTYBUHLZ-QAPCUYQASA-N 383.514 -0.145 30 20 GBED COCCNC(=O)[C@H](C#N)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916889032 IUTYNPRILMDPOW-OAHLLOKOSA-N 395.437 -0.207 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)Cn3cnnn3)C[C@@H]21 960450783 DBVXCOYOSWYEDB-CBBWQLFWSA-N 376.417 -0.908 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(OC)ncn2)C1 963862230 OTTNCHBBFNYLKS-RZFFKMDDSA-N 376.413 -0.232 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@@H]1O 964193663 OPQNAYOZZAJKIA-MWNCTCPHSA-N 390.440 -0.214 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C)cc2=O)C[C@@H]1O 964613858 QPDLXJYTDVCQNP-IRWJRLHMSA-N 375.425 -0.034 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccn3nnnc3c2)C1 969507547 UFACDZHZPMFMCZ-FQLMCAECSA-N 386.412 -0.593 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cnccc2OC)C[C@@H]1O 970712193 YUPPLZBTSSLVIM-WCVJEAGWSA-N 375.425 -0.088 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](OCC)[C@H](CNC(=O)c2nnn(C)n2)C1 982961314 QUGHJEGKNDKZKL-APIJFGDWSA-N 392.460 -0.215 30 20 GBED C#CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nnn(C)n1 1004723311 RLWUPBBVJCPYGJ-BNOWGMLFSA-N 381.396 -0.207 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 1024871549 QOADVRORSIHXHU-XNISGKROSA-N 390.440 -0.593 30 20 GBED C=C(C)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 1070025889 PNRMUCOFADXHTC-QXSJWSMHSA-N 376.461 -0.169 30 20 GBED N#CCNC(=O)CN(CCO)C1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 1098432356 RFVCXBVCIQIYPU-QILLFSRXSA-N 378.473 -0.273 30 20 GBED CN(CCN1CCOCC1)c1nnc(C[C@H](O)CC#N)n1C[C@@H]1CCOC1 1123088205 FYDVVVPBWHGLBG-JKSUJKDBSA-N 378.477 -0.100 30 20 GBED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NC[C@@H](C)C#N)cn2)C[C@@H](C)O1 1254131142 XTAFHAJDVDHRSU-RWMBFGLXSA-N 376.417 -0.267 30 20 GBED CN1CCC(CNC(=O)NCCn2cnc(C#N)n2)(N2CCOCC2)CC1 1312662966 SGGXXNXMQOUNMA-UHFFFAOYSA-N 376.465 -0.754 30 20 GBED C=CCN1CCC(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)s2)CC1 1322796860 IEFDVBGSOUPTSO-UHFFFAOYSA-N 386.499 -0.222 30 20 GBED N#Cc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)N3CCOCC3)CC2=O)cc1 1323579394 GOKOMCDIQWUNBH-ZDUSSCGKSA-N 378.410 -0.396 30 20 GBED Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2=O)n(C)n1 1330407994 GWRGBGADVJKHTN-LSDHHAIUSA-N 399.455 -0.851 30 20 GBED C#CC1(O)CN(CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)C1 1336478137 WRPKJXGSJNBTAQ-UHFFFAOYSA-N 377.466 -0.104 30 20 GBED CN(CCC#N)C[C@@H](O)CNC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 1348958813 YLNDQCZMFLYLHL-HNNXBMFYSA-N 384.506 -0.631 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H](N)CCO3)C2)C1=O 1349634182 HDVQPWRLJHEKFO-LUKYLMHMSA-N 392.500 -0.023 30 20 GBED CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnn(C)n1 1517577309 RXTVEYRVLJZTKX-UHFFFAOYSA-N 380.416 -0.039 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H](C)C2)nn1 1573351505 RAROGNZHKKYMPT-ZWNOBZJWSA-N 396.415 -0.137 30 20 GBED C[C@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3nccnc3-c3nn[nH]n3)C2)CC1 1573569840 GFZXPTIFCQMKQU-CHWSQXEVSA-N 382.432 -0.461 30 20 GBED C=CCN1CC[C@@H](N2CC[C@@](O)(CNC(=O)CCCCc3cnn[nH]3)C2)C1=O 1575105064 ZUQHJCAZBUJCBJ-VQIMIIECSA-N 390.488 -0.143 30 20 GBED N#CCSCC(=O)NC[C@H]1[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]12 1581858733 SZJSEWCOFQRVQV-CNDDSTCGSA-N 386.441 -0.114 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)c1 1581862932 QPZOZMIDFKLVSN-NSHDSACASA-N 380.372 -0.508 30 20 GBED N#Cc1c[nH]c(C(=O)NCC2[C@@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@@H]23)c1 1581863051 VKUYIWAQTGCUMJ-RYUDHWBXSA-N 376.384 -0.031 30 20 GBED N#Cc1ccc(C(=O)N2CCO[C@H](CN=c3cc[nH]cc3-c3nn[nH]n3)C2)[nH]1 1581868598 YFXWUWGDOSHPEJ-GFCCVEGCSA-N 379.384 -0.164 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H](CC)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588351237 KOCMUAIKJNFHNZ-HIFRSBDPSA-N 384.444 -0.083 30 20 GBED C#Cc1ccccc1CC(=O)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)nn1 1588377050 OOQWHAIACKWKPE-CQSZACIVSA-N 378.396 -0.230 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)N1CCC[C@H]1C(=O)O 1589405283 BLUNBTXPOOBKQA-AAEUAGOBSA-N 380.430 -0.347 30 20 GBED N#CCNC(=O)CNC(=O)N1CCN(c2ccsc2-c2nn[nH]n2)CC1 1592677780 JPOMUYOFZONZQZ-UHFFFAOYSA-N 375.418 -0.600 30 20 GBED N#Cc1cccc(C(=O)NCC#CCNC(=O)c2cccc(-c3nn[nH]n3)n2)n1 1592700588 LDAQHRCCJRFBHL-UHFFFAOYSA-N 387.363 -0.308 30 20 GBED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1 1705747828 WHRDXCYREMNBJN-JTQLQIEISA-N 397.910 -0.124 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1c1cnn(C)c1 1757376915 IOZQUNFKGSPTKS-TWMKSMIVSA-N 389.456 -0.442 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1783175762 GMNLPWKZAKFPJN-FRIZHTMISA-N 381.473 -0.086 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1783566562 WRSUKABDSQDGQD-OXJNMPFZSA-N 383.404 -0.059 30 20 GBED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2C1 1785032046 IJTZLBBQGJDDON-KKUMJFAQSA-N 390.440 -0.679 30 20 GBED Cc1n[nH]c(C)c1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1789976561 FVBUVVUVTXUPGM-BPUTZDHNSA-N 388.424 -0.363 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1 1792541183 LXZHCVTZXLBDJH-ALXJQNPVSA-N 391.516 -0.046 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[S@@](=O)CC)C2 1793344150 JCMXJNICNHGONM-QADMDICUSA-N 384.498 -0.227 30 20 GBED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnncc1C(=O)O 1798096835 UNQOWGNZEDRBSZ-GNXNZQSNSA-N 387.396 -0.072 30 20 GBED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NNC(=O)C2)C3)c1 1798861886 XGFCZBCQISJNMT-XOIINTDNSA-N 381.392 -0.363 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1829959526 HBTFWMKHKKUKCJ-DCGLDWPTSA-N 385.486 -0.713 30 20 GBED Cn1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c1=O 1831207975 DWVVJVONJAKUNY-NRFANRHFSA-N 399.447 -0.131 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc[n+]([O-])c4)CCO3)C2)CC1 1833273699 DBQLBQZSUGJMEO-LJQANCHMSA-N 386.408 -0.306 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cocn3)CCO2)C1 1834504376 ZFFSZITVLYGUSN-KBXCAEBGSA-N 377.397 -0.217 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cncnc4)C3)C2)CC1 1835340795 GPTDBXBVWMOTHK-IBGZPJMESA-N 385.424 -0.221 30 20 GBED Cn1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)n1 1838731999 FLXWLMWAVXHTSP-SFHVURJKSA-N 399.411 -0.601 30 20 GBED C[C@@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838734817 LZVUUNJXRSLPSN-SCLBCKFNSA-N 375.429 -0.449 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(N)=O)C3)C2)c1 1838740262 IYVKGROGIQXLQS-SFHVURJKSA-N 389.412 -0.778 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1839806454 PMNOMMVUKDPZMJ-LJQANCHMSA-N 377.441 -0.521 30 20 GBED CO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840211340 ZFPIFUPPHGSCSX-SCLBCKFNSA-N 376.413 -0.009 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840568944 XAOGXOWUDLFJST-HNAYVOBHSA-N 379.457 -0.957 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)Cn1ccccc1=O)C2 1841054347 OTCOCVMIPSMXJX-FPLPWBNLSA-N 384.436 -0.090 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]cc1[N+](=O)[O-] 1847261902 HOTUQSRRKSCXSX-WGPFEIJOSA-N 388.384 -0.008 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2n(n1)CCCNC2=O 1847802346 TXLKBRIDYQUIKI-BPUTZDHNSA-N 399.451 -0.130 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC(=O)NC2CCCC2)c1=O 6112940 YWARIYULFXEHJC-UHFFFAOYSA-N 377.401 -0.688 30 20 GBED N#Cc1ccccc1OCC(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 267031622 ALUDGJLEZLAGJJ-LSDHHAIUSA-N 379.438 -0.761 30 20 GBED Cc1nnnn1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 268272766 OIQQHUNUNFKPFL-UHFFFAOYSA-N 375.414 -0.614 30 20 GBED CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(C#N)c2)C1 283994752 MSLWRGRDRWXPKW-HNNXBMFYSA-N 378.454 -0.038 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 287531195 BCFPYKUFPMOEFO-KRCIIATLSA-N 391.428 -0.169 30 20 GBED C=C[C@@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC 290080167 OSEMOCNSZWZWGP-JTQLQIEISA-N 383.426 -0.263 30 20 GBED C=C[C@@H](CO)NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 290581210 LNVYBJXPMMVRLU-AWEZNQCLSA-N 384.454 -0.078 30 20 GBED C[C@H](/C(O)=N/[C@@H]1CCS(=O)(=O)C1)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 330133413 RBAMZOMTVBFWEQ-KFWWJZLASA-N 386.518 -0.243 30 20 GBED CC[C@@H](/N=C(/O)N1CCC(NS(=O)(=O)CC)CC1)C(=O)N1CCOCC1 331266861 QWJUTKYAYWCEFV-CQSZACIVSA-N 390.506 -0.059 30 20 GBED C[C@@](C#N)(NC(=O)CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C1CC1 332844393 NEXBIXDKJWLIBY-RDJZCZTQSA-N 384.502 -0.079 30 20 GBED N#CCC1(O)CN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC(F)F)C1 349447770 JJFLQUJAEXRMTA-UHFFFAOYSA-N 395.409 -0.121 30 20 GBED N#Cc1cccnc1NS(=O)(=O)CCCS(=O)(=O)NCC1(O)CCC1 349573802 YDPMXXAGLFLLIV-UHFFFAOYSA-N 388.471 -0.081 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)N(C)[C@H](C)C#N)CC(=O)N1 349602646 QMVZUYVLFBGLSM-NWDGAFQWSA-N 380.492 -0.910 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)NC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 376347097 CHGRCIITCYVTDA-JTQLQIEISA-N 375.451 -0.613 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@H]5O)CC2)nc1 410742362 AUDBAUFYTQMTCW-HITLURFISA-N 381.436 -0.170 30 20 GBED Cc1c(NC(=O)C(=O)NCCS(N)(=O)=O)ccc(Br)c1C#N 425733509 BSDOHDKENLQPTP-UHFFFAOYSA-N 389.231 -0.028 30 20 GBED CN(C)C(=O)Cn1ccc(NC(=O)N(CCC#N)CCN2CCOCC2)n1 429086844 WNZMWDYRZXMBNV-UHFFFAOYSA-N 377.449 0.051 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](CO)c1cnn(C)c1 481778764 KWFFSBHNJBBLDM-XHDPSFHLSA-N 377.426 -0.192 30 20 GBED N#Cc1ncn(CCNS(=O)(=O)c2cc(Br)cc(C(N)=O)c2)n1 511436227 IXWXTNDFNGQMSY-UHFFFAOYSA-N 399.230 -0.010 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)CC1 525986741 SLCOJNFQTNZYSB-KBPBESRZSA-N 392.437 -0.576 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CCC(=O)OC)[C@@H](C)C2)C1=O 538682944 ZENYWKIGFJBKRB-LBPRGKRZSA-N 380.401 -0.941 30 20 GBED C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)NCCN(C)C 552309305 DCJVDRASVOQHRE-ZDUSSCGKSA-N 380.470 -0.344 30 20 GBED Cc1ccc(C(=O)N[C@@H](C)C(=O)NCCN(C)C)cc1S(=O)(=O)NCC#N 565205227 ASZSBNKBGZRSKN-ZDUSSCGKSA-N 395.485 -0.407 30 20 GBED CCOC(=O)Cn1cnc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n1 567263497 WLWPWWRHFPKDET-UHFFFAOYSA-N 392.397 -0.370 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCN2CCC[C@H]2C(N)=O)c1 579769973 QBOZBMUDSMMEHW-HNNXBMFYSA-N 393.469 -0.707 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCn1cccnc1=O 593897065 NDPJWEBJFXWQLB-CYBMUJFWSA-N 389.437 -0.012 30 20 GBED N#Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 604145460 HQIKUCZMHFZABD-UHFFFAOYSA-N 383.408 -0.210 30 20 GBED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CC(=O)NCCOC)cn1 726113002 QJVGKAIVWSEXKM-LBPRGKRZSA-N 396.473 -0.267 30 20 GBED C#CCN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 733161636 UGNRZLUTYMONSD-UHFFFAOYSA-N 392.481 -0.438 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c1=O 736288898 MBBOICAVWYUAGT-STQMWFEESA-N 384.458 -0.991 30 20 GBED O=C(O)COc1ccc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 739826260 MKYJTQMBFZBIAO-FOCLMDBBSA-N 395.393 -0.045 30 20 GBED C#CCOc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 741666214 YTZSWZKGLVEQDZ-UHFFFAOYSA-N 385.420 -0.158 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccnn2C)c1=O 758079453 JPPVSBRGOCRMEY-UHFFFAOYSA-N 393.428 -0.311 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1)[C@H]1CCCO1 786662697 KNTAXNCSWVVELL-HUUCEWRRSA-N 379.438 -0.622 30 20 GBED N#CCNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 804820202 BFGJPOZFQRPPEZ-PXTSUWAFSA-N 383.408 -0.454 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)CC1 813442982 WLRTXFACUXHJGP-OAHLLOKOSA-N 396.447 -0.045 30 20 GBED COCCN1C(=O)c2ccc(C(=O)N[C@H]3CNC[C@@H]3C#N)cc2S1(=O)=O 834493127 AYWKKVBKZASRDD-AAEUAGOBSA-N 378.410 -0.681 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](C)[C@@H](O)C1 848955965 HYXHIYXMTSLPLJ-KBPBESRZSA-N 397.478 -0.165 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N=c1nc(C)[nH]n1C)C(C)(C)C 848962247 PQOMGQPOHOHPDS-GFCCVEGCSA-N 391.519 -0.355 30 20 GBED C#C[C@H](CC)NS(=O)(=O)CCCS(=O)(=O)N=c1ccnc2n(C)[nH]cc1-2 848962922 CLIVWNOPBDQKGP-GFCCVEGCSA-N 399.498 -0.195 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ccn(C)n1)[C@H]1CCCO1 848963890 GBNDSFQGAGKFTP-CHWSQXEVSA-N 390.487 -0.348 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)no2)CC1 871738373 JPXILTJNCPBDAF-UHFFFAOYSA-N 377.220 -0.338 30 20 GBED C#CCN1CCC[C@@H](NC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 890366554 AZBLXELOFOMYSY-SJORKVTESA-N 398.529 -0.080 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C)c(C(N)=O)cn2)C1 970828087 FBEDBODVNYZDHZ-FWYOQMDTSA-N 388.424 -0.618 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CC(=O)NC1=O 999330851 JGOPJCHHZRYTAC-RVFOSREFSA-N 390.440 -0.233 30 20 GBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2CCOCC2=O)c1 1003513228 UWEBCDNJGWEEMD-ZACQAIPSSA-N 382.420 -0.217 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C=C)C[C@H]2O)nn1 1023922539 WFQDZRZDWSBFAT-XOUADPBQSA-N 375.429 -0.253 30 20 GBED C#CCNC(=O)CC(=O)N1CCC[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1070640630 RCTWIXBPWBUUTE-JTOWHCCKSA-N 377.441 -0.715 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCOCC1 1110454103 WGTBKHNOGJZFDF-KFWWJZLASA-N 379.461 -0.948 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCCNC1=O 1110694910 RWRSFLLXQAGTBS-RQJABVFESA-N 377.445 -0.754 30 20 GBED C=CCn1cnnc1S(=O)(=O)CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 1116235605 DEBDSLZEVPQLFL-LLVKDONJSA-N 376.460 -0.727 30 20 GBED C=C(C)Cn1c([C@H](C)CO)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1122529242 YFVJROXSONMFAK-MRXNPFEDSA-N 392.504 -0.069 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC(=O)NC2CC2)C[C@H]1O 1196812297 MUMAYQKNSTWSTM-NHIYQJMISA-N 380.445 -0.883 30 20 GBED Cn1cc(Br)cc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)c1=O 1261461233 FCNSQLCOSDCYAV-CQSZACIVSA-N 383.202 -0.037 30 20 GBED Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNS(C)(=O)=O 1290859768 WHHCJSAAXZNCGA-UHFFFAOYSA-N 390.473 -0.271 30 20 GBED N#Cc1cn(CC(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)c(=O)nc1O 1297537976 SWWVZFKUBCQREQ-SNVBAGLBSA-N 375.307 -0.800 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 1319089774 LCZGTTZHKIDMGZ-ZDUSSCGKSA-N 376.394 -0.764 30 20 GBED CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 1321135710 LDXXEQAOQHOPMK-GOSISDBHSA-N 383.412 -0.681 30 20 GBED CN(c1ccc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cc1)S(C)(=O)=O 1326410735 WPRCNFLJCCTGFV-QGZVFWFLSA-N 394.453 -0.424 30 20 GBED C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C[C@@H](C)O1 1326535071 ZMCPSWOYFUABKN-OAFZBRQQSA-N 378.473 -0.036 30 20 GBED CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C(=O)N1CCN(C3CC3)[C@H](C#N)C1)CC2 1332019444 PBFOVUQINLWDJR-BRWVUGGUSA-N 390.484 -0.036 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)CN2CCCC2=O)cc1 1332190971 BPEQORFYDKKDIR-AWEZNQCLSA-N 394.453 -0.408 30 20 GBED C=C(Br)Cn1nnnc1N1CCN(S(=O)(=O)NC(C)C)CC1 1334103060 KSSJBQRKLLICAF-UHFFFAOYSA-N 394.299 -0.054 30 20 GBED C#CCN1CCCC[C@H]1c1nnc(N2CCN(S(=O)(=O)N(C)C)CC2)n1C 1339988951 AYTGKEGEWLRBNR-HNNXBMFYSA-N 395.533 -0.096 30 20 GBED N#C[C@@H]1C(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)=CC(=O)n2c1nc1ccccc12 1340898484 SUQACCJQWCVXQV-ZIAGYGMSSA-N 390.403 -0.134 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)n1 1347131069 YYSXZFDQKVNSPC-CQSZACIVSA-N 395.485 -0.738 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)[C@H]1CCCO1 1347565202 IRMNJEHQXIJOFR-MDOVXXIYSA-N 398.419 -0.346 30 20 GBED N#Cc1ccc(N2C[C@H](C(=O)NC[C@@]3(O)CCS(=O)(=O)C3)CC2=O)cc1 1569155412 YRVWVAXTNRANCP-DYVFJYSZSA-N 377.422 -0.423 30 20 GBED C=C[C@@](C)(O)CC(=O)NC1(CO)CCN(c2nccnc2-c2nn[nH]n2)CC1 1573310277 VVFGEHQGPFOWFH-MRXNPFEDSA-N 388.432 -0.569 30 20 GBED C=CCCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC(=O)NCc1cnn[nH]1 1575100088 LJFFZXLLLRZVHB-SNPRPXQTSA-N 390.444 -0.396 30 20 GBED C=CCCOCC(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588616467 GPZDLHBNPCNNHG-UHFFFAOYSA-N 389.416 -0.519 30 20 GBED C#CCOCCC(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[nH]n2)C[C@@H]1O 1602729538 WGYIEZNLYYUSEZ-MNOVXSKESA-N 377.430 -0.663 30 20 GBED C#CCn1ccc(CN(CC)C(=O)CCn2cc(-c3nn[nH]n3)c(O)nc2=O)n1 1602733349 YLKWDHRKQXNSAT-UHFFFAOYSA-N 397.399 -0.603 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2O)cn1 1602736817 HGSDPTCBMVCDGZ-ZIAGYGMSSA-N 391.395 -0.597 30 20 GBED CN(C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1c[nH]c(C#N)c1 1604720310 POTFWGOXAJUXKN-GFCCVEGCSA-N 382.388 -0.574 30 20 GBED CCOC(=O)c1cc2n(n1)C[C@@H](C)N(S(=O)(=O)N1CCO[C@H](C#N)C1)C2 1622582195 KYIKKOMTAAIFLK-DGCLKSJQSA-N 383.430 -0.267 30 20 GBED N#Cc1cn(CCNC(=O)c2ccc(C(=O)N3CCOCC3)cc2)c(=O)nc1O 1641970621 NVLVOXGCYUWJED-UHFFFAOYSA-N 397.391 -0.277 30 20 GBED N#Cc1cn(CCNC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c(=O)nc1O 1678993739 SSPQVNMBZBUMJD-HNNXBMFYSA-N 390.444 -0.237 30 20 GBED CC(C)NC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1692563843 OFDNMRPMVIGTIP-STQMWFEESA-N 396.473 -0.566 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1778780940 JJNZJZQZZZHFDY-MAUKXSAKSA-N 379.413 -0.706 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779183003 RSVMQALNYRMWCZ-YWZLYKJASA-N 399.451 -0.162 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3nonc3c1)CCO2 1783561763 KMRLXRSBHNHGPR-GOSISDBHSA-N 384.348 -0.246 30 20 GBED N=C(N)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788677811 AUPQDAHPODHYES-WRCSIGPASA-N 390.444 -0.839 30 20 GBED CN1CCC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CC1 1791073148 MNOBMFBGLOGBDY-JYJNAYRXSA-N 377.441 -0.604 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)ncn1 1793492415 AKOHIJFSXSKFQD-LMWOUKEDSA-N 390.440 -0.042 30 20 GBED C[C@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800194326 RHKSGIHKMUYAAZ-JNNRSPCRSA-N 385.420 -0.062 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc(Cl)cn1)C2 1800774167 ZXGJAKOGTHEUOB-WDAIWFPHSA-N 378.772 -0.579 30 20 GBED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1800992161 PUIADJHAOURCBA-ZSBFGKGUSA-N 399.451 -0.367 30 20 GBED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O 1801118266 YBROYVHUADGAAQ-CZAMWMTLSA-N 395.481 -0.545 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)n[nH]2)[C@@H]1c1cccnc1 1812877821 ARUWEUYSEWOZST-YVEFUNNKSA-N 383.364 -0.082 30 20 GBED N#CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN(CCO)CCO)CC2 1814503064 VNPFCUDMHFUBOH-LBPRGKRZSA-N 395.485 -0.355 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)NC(C)=O)C3)C2)C1 1829673145 FWSYHUYJKPSOAB-IFXJQAMLSA-N 379.457 -0.066 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(COC)CC1)CCO2 1831367448 GUKHFZBGEUMDIN-UZLBHIALSA-N 394.468 -0.092 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc[nH]3)CCO2)C1 1833712761 OOQPRJPPYIOLHS-RDTXWAMCSA-N 376.413 -0.482 30 20 GBED C=CCC(=O)N1CCC(N2CCC(NC(=O)CN3CCNC3=N)CC2)CC1 1834704945 QLBKMFCTQZYDPG-UHFFFAOYSA-N 376.505 -0.026 30 20 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C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 349483155 VOEIDPVHUGXCQR-LLVKDONJSA-N 386.455 -0.660 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCc2c[nH]nc2C1 349622190 VHHQPBCVQPIELR-WCQYABFASA-N 389.503 -0.250 30 20 GBED CCOC(=O)CCN(C)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 438739802 MGDJLFOVVHZNGW-UHFFFAOYSA-N 384.396 0.548 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@H](O)CC[C@H]2C1 514873929 UPQUFOLNIQXOCB-YNEHKIRRSA-N 379.504 -0.369 30 20 GBED COC(=O)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1C#N 535205464 HVPWYOKJMHXSJR-IRXDYDNUSA-N 393.465 -0.068 30 20 GBED CN(CCC#N)C(=O)CCN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 538953793 PIPCRJQRZIUXTA-UHFFFAOYSA-N 397.457 -0.553 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 539355000 YSVQLRODOCGINP-QHSBEEBCSA-N 386.412 -0.583 30 20 GBED CN1CC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)N(C)CC#N)cc2)C1=O 582072776 IESOJHQMZBAVDR-CYBMUJFWSA-N 386.455 -0.660 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)c3cnn(C[C@H](O)CO)c3)C2=O)cc1 597563154 QKUNJOIRSBKKCK-IRXDYDNUSA-N 383.408 -0.361 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C1=O 661015415 LVPDSJTUQSNNFY-HOTGVXAUSA-N 378.473 -0.445 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727222757 JMAWZZPMKMSOCP-QMMMGPOBSA-N 396.201 -0.426 30 20 GBED N#CCNC(=O)COC(=O)[C@H](CO)NC(=O)c1cccc(Br)c1 731244966 AJMDMCFJLROOQK-NSHDSACASA-N 384.186 -0.277 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@]2(O)CCN(Cc3ccccc3)C2)CC1 741140167 AOSRXOKQIZKNKS-QFIPXVFZSA-N 398.507 -0.093 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](C)O[C@]3(CCCOC3)C2)c1=O 794898440 FMUBWWGXYPNNJY-HNAYVOBHSA-N 392.456 -0.229 30 20 GBED C#CCN1CCN(C(=O)Cn2cnc3c(nnn3-c3ccccc3)c2=O)CC1 817579488 CIBFSUSEMVCGPO-UHFFFAOYSA-N 377.408 -0.245 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)c1=O 819759522 YROVJTJJPKLCAL-CQSZACIVSA-N 397.395 -0.543 30 20 GBED COc1ccc(CNC(=O)C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)cc1C#N 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30 20 GBED C[C@H](Nc1nccs1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800775862 LKXIUWTVEKZUPZ-OHTBPHCPSA-N 392.437 -0.379 30 20 GBED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)n1ccccc1=O 1800777514 XVGGWFQETPHADD-FLTUCWPJSA-N 387.392 -0.913 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nccn3c1)C2 1800778461 ZLHYJFXQGBZRRB-ZSBFGKGUSA-N 382.376 -0.375 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cnccn4)CCO3)C2)CC1 1830962958 ZXGVPCQFEUOAIK-LJQANCHMSA-N 385.424 -0.221 30 20 GBED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1831334319 BKUIDUUOLXBHMK-KRWDZBQOSA-N 399.469 -0.819 30 20 GBED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1831691114 YOBQTCIKNZMQGC-LJQANCHMSA-N 394.472 -0.091 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1832461317 SDBHNVRGQZGHFW-RDTXWAMCSA-N 397.497 -0.502 30 20 GBED CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)CCC#N)CC2)CC1)C(=O)O 1834737591 VEVFWNANBYDKJL-MRXNPFEDSA-N 393.488 -0.076 30 20 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C[C@H]1[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N)CCN1C 349463408 MQHOOVRSUCKDCJ-UONOGXRCSA-N 391.519 -0.590 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N[C@@]2(C#N)CC2(C)C)C[C@H]1CO 349528444 TXDBJHBCGCANCA-VNHYZAJKSA-N 393.531 -0.122 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCN([C@H](C)CC(=O)OC)CC1 410155790 VADOPTJJCGVJGF-CQSZACIVSA-N 376.479 -0.338 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(c3nccnc3C)CC2)C1=O 410884740 SWQUAOSFDDVASE-OAHLLOKOSA-N 386.456 -0.321 30 20 GBED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)c1cncc(C#N)c1 564409890 NZLGRMMLPCLWRU-CYBMUJFWSA-N 387.487 -0.108 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@]2(CNC(=O)C2)C1 577005353 VFBRATUYLQCWGF-AWEZNQCLSA-N 392.503 -0.860 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CCN3CCOC[C@@H]3C2)CC1 579683728 JVVGHKSYQCODOR-INIZCTEOSA-N 384.440 -0.855 30 20 GBED C#CCNCC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 727238681 OWLYOGPFYFXQGE-UHFFFAOYSA-N 381.454 -0.241 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(F)ccc2C(=O)OC)CC1 728589945 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C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3C)CC1 799252533 AADLLPQXMBDXQG-UHFFFAOYSA-N 398.419 -0.032 30 20 GBED Cn1cc(C=NNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c(=O)n(C)c1=O 807183556 POSYHODLQILIHR-UHFFFAOYSA-N 382.358 -0.914 30 20 GBED C=CCNC(=O)COC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 811678035 PUEUXKGCWDHAJE-GFCCVEGCSA-N 397.453 -0.099 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2ccc(Br)o2)c(=O)n(C)c1=O 814883661 VXECPFREXUEQIH-UHFFFAOYSA-N 391.203 -0.248 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(-n3nnnc3C)cc2F)CC1 823084441 SKZBPEWMIAKZEM-UHFFFAOYSA-N 385.403 -0.383 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2c(N)nc(-c3nn[nH]n3)c2C#N)CC1 824184492 GZPPJDDMHDFZCM-LLVKDONJSA-N 383.420 -0.791 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)N=S(=O)(CC)CC)CC1 866811328 RMBMPVNFLHYYBH-UHFFFAOYSA-N 378.520 -0.504 30 20 GBED C#CCNC(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CC(C)C)c1N 916565045 HEZCMQQINHUFCL-UHFFFAOYSA-N 393.444 -0.304 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2nc[nH]n2)C[C@@H]1O 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-0.684 30 20 GBED C=CCn1cc(C(=O)NCCN(CC)c2nc(C)cc(-c3nn[nH]n3)n2)nn1 1588712815 DPEISIPGEBYRLB-UHFFFAOYSA-N 383.420 -0.001 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 1602803305 KWOZIDIMDXZCLK-GFCCVEGCSA-N 386.416 -0.773 30 20 GBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CS(=O)(=O)N2CCCC2)C1 1778090730 DKFXVWVOBOYHPO-CRAIPNDOSA-N 397.497 -0.441 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21 1788570295 QPYMZVJCUWZAKY-YTFOTSKYSA-N 395.456 -0.352 30 20 GBED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@](C)(O)CC(=O)O)C[C@@H]21 1791266942 MUYCAIOHGMQZTP-LAIFWZPXSA-N 388.486 -0.100 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCOCC1 1795325468 LQJASVFWBVYFFY-OBQJARPKSA-N 391.468 -0.139 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSC(=N)N 1795504573 RPLULEVUBGKENW-DABQJJPHSA-N 396.517 -0.515 30 20 GBED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2)C(F)(F)F 1800548192 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-0.687 30 20 GBED CC(=O)N1CCN(C(=O)CCNC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 264492807 PWKUEYQARKASST-UHFFFAOYSA-N 385.424 -0.515 30 20 GBED C[C@H](N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)Nc1cccc(C#N)c1 265469924 PCDFYRYZYVFZKP-JQFCIGGWSA-N 392.481 -0.027 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@H]2[C@H]2CCCCC2=O)C1=O 269935944 YOKYRHOJCZBKMJ-OLZOCXBDSA-N 377.397 -0.050 30 20 GBED C#CCN(CC#N)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 281437720 RNLWDJHRUAJMKH-SFHVURJKSA-N 382.420 -0.044 30 20 GBED CCCN(C(=O)/C(=N/OCC(=O)OCC)c1cc[nH]n1)[C@H]1CC(=O)N(C)C1=O 283337034 AOYAUORNCYNLBT-PQXWDWFGSA-N 393.400 -0.311 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@H]1O 349534355 HYTOZFNJSOPXKW-JHJVBQTASA-N 397.544 -0.520 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCn2ccnc2C1 349548795 GAZLBYXGEQKLCC-GFCCVEGCSA-N 375.476 -0.707 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1C[C@H](C)N(C)[C@H](C)C1 349598302 GWSZHBNINVTDPM-MELADBBJSA-N 380.536 -0.048 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)n1 377326537 FAOXSMWLJJOMSO-CYBMUJFWSA-N 396.473 0.157 30 20 GBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCCN3)C2)C1 424541566 HNCNQAWDTXDXDC-CAOSSQGBSA-N 375.473 -0.098 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCN2C(=O)CNC2=O)cc1 499941433 BNEJVJSNYMKFDD-UHFFFAOYSA-N 379.398 -0.840 30 20 GBED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)[C@H](C)C1 509757383 XPNOIRNFMPLFQM-CYBMUJFWSA-N 396.473 -0.074 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCc2nncn2C)cc1 563427738 OJIBCNQAMJAMTE-UHFFFAOYSA-N 398.470 -0.172 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCS(=O)(=O)N(C)C 564420840 FULRIJGJAYHUHV-UHFFFAOYSA-N 377.430 0.460 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN([C@H]3CCOC3)CC2)c1 589448839 VAKXQVIZHHJBBI-HNNXBMFYSA-N 378.454 -0.230 30 20 GBED CC#CC[C@H](CO)Nc1ccc(S(=O)(=O)N(C)C)cc1S(N)(=O)=O 645407058 JEPUYYJQETYPCB-LLVKDONJSA-N 375.472 -0.230 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)Nc2nc(CC(=O)OC)cs2)CC1 728570872 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385.388 -0.221 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2C)CC1 1588351842 MVFNQRODXOYQEW-CZUORRHYSA-N 395.471 -0.057 30 20 GBED C=CCOCC(=O)N1CCC[C@](CO)(Nc2nc(C)cc(-c3nn[nH]n3)n2)C1 1588671842 OECDFIBZBIVORL-KRWDZBQOSA-N 388.432 -0.067 30 20 GBED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc(C(=O)O)c1Br 1608188250 RGXXKRSLWGROKM-UHFFFAOYSA-N 383.158 -0.158 30 20 GBED N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC(=O)NCC(F)F)CCO1 1771537785 VMBYWYWNAYRCOQ-SNVBAGLBSA-N 378.343 -0.155 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCC2(CC1)NC(=O)N(CC(=O)O)C2=O 1777567322 HEFCGDCYHOSUBV-UHFFFAOYSA-N 392.393 -0.282 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778938475 DFFWTZWSFDJZEJ-UGSOOPFHSA-N 378.429 -0.735 30 20 GBED CN(C)c1ccc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cn1 1779765298 YIWWSTLRPUQTQV-IBGZPJMESA-N 386.408 -0.321 30 20 GBED CS(=O)(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780338290 RUGPXBAOGWOECR-QGZVFWFLSA-N 394.453 -0.235 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(N)=O)C1 1783280613 DNXKEISWHZVLTI-PMUMKWKESA-N 380.445 -0.793 30 20 GBED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)[C@H]2C1 1785036961 WAYCPMOEVNQWRV-JYJNAYRXSA-N 399.513 -0.727 30 20 GBED NC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1790852354 XLFAQZFFXUKPMJ-DRERCTCGSA-N 390.440 -0.056 30 20 GBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1802025259 NKLUUVWSEDZIGG-BMFAXAFESA-N 376.501 -0.375 30 20 GBED COC(OC)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1803354595 DGSTZOIQHISMPS-BBRMVZONSA-N 375.381 -0.206 30 20 GBED N#CCCC(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1806860767 QREWUDJIRNWJHJ-RDTXWAMCSA-N 398.423 -0.057 30 20 GBED C/C(=C/C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)C(=O)O 1831223464 UKGLCLZZUDMQRO-LMICACPXSA-N 376.409 -0.113 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC)C2)C1 1831394167 YLXARUUYNXFLCS-GPMSIDNRSA-N 381.473 -0.521 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835397294 FJOZNEMGPSUXNP-PBHICJAKSA-N 387.502 -0.907 30 20 GBED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1841608950 ZEIFTPMFDZKWEG-GFCCVEGCSA-N 386.412 -0.174 30 20 GBED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843130990 JVTJJENHTDPTBB-VIFPVBQESA-N 384.483 -0.027 30 20 GBED C#CCNC(=O)c1ccccc1NCCn1cnc2c1c(=O)n(C)c(=O)n2C 63462041 RIOAJJHGBZEYBV-UHFFFAOYSA-N 380.408 -0.091 30 20 GBED Cn1c(N2CCN(CC(=O)NC3CCCCC3)CC2)c(C#N)c(=O)n(C)c1=O 171366532 DGGPZNDWAXMWDB-UHFFFAOYSA-N 388.472 -0.473 30 20 GBED O=C(C#Cc1ccc2c(c1)OCO2)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 268579545 RUBCXKHWOILNST-ZDUSSCGKSA-N 378.406 -0.424 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCNC(=O)[C@@H]2Cc2ccccc2)C1=O 294074230 HNHWYMWUPPPQID-HNNXBMFYSA-N 398.419 -0.077 30 20 GBED CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 298202559 UVIQXOKFFAXMRL-ZDUSSCGKSA-N 385.467 -0.128 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1=O 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COC(=O)[C@@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCO1 489147636 LEZSTSCZEJAXKD-AWEZNQCLSA-N 377.401 -0.623 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@H]34)CC2)c1 502301054 ZMOYRHNDNKLVOZ-JKSUJKDBSA-N 396.451 -0.129 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cncc(F)c3)CC2)C1=O 548391233 MTWREIDOZLMMSS-UHFFFAOYSA-N 375.360 -0.154 30 20 GBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCC(N3C[C@H](C(=O)O)CC3=O)CC2)C1 593770475 RNRZSKXYAOFHRU-DIFFPNOSSA-N 380.376 -0.625 30 20 GBED C=CCNC(=O)NC(=O)CN1CCN(CC(=O)NC(=O)NCC=C)[C@H](C)[C@H]1C 595887003 QQHSYWUZAMSODI-ZIAGYGMSSA-N 394.476 -0.595 30 20 GBED N#Cc1ccc([C@H](N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C(=O)O)cc1 739104546 BRHFDUIIGXVIPR-JYJNAYRXSA-N 379.438 -0.229 30 20 GBED C[C@H](CC(=O)N[C@H]1CCS(=O)(=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742488546 DQYCRULOTWEZFD-MNOVXSKESA-N 385.467 -0.193 30 20 GBED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccco2)c1=O 758050548 GCYAPKQTDHLKGA-UHFFFAOYSA-N 396.472 -0.197 30 20 GBED 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C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCn1ncn(C)c1=O 1110855691 FTMUBMHPAYIYEQ-TUVASFSCSA-N 376.461 -0.616 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCC(=O)N(C)C)CC2)c1C#N 1117117352 IMJXDQICQGZTPC-UHFFFAOYSA-N 389.460 -0.767 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 1117472182 YOULIQHTULPAKD-CABCVRRESA-N 397.497 -0.554 30 20 GBED COCC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1129122067 APVVMZRYIZXILD-IECFSIQFSA-N 389.456 -0.679 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1220034568 UPRWYGKUOQGMRE-FTBKSCEHSA-N 376.457 -0.667 30 20 GBED CN(C)C(=O)N1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 1261482086 AGNFWCFISTYKRH-UHFFFAOYSA-N 399.455 -0.572 30 20 GBED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1318501173 UZUHWMAMFJEBLZ-BQOWYSNXSA-N 389.456 -0.286 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCCN(CC(F)(F)F)CC1 1323778874 ASDIXHSOUPIOAJ-UHFFFAOYSA-N 385.408 -0.200 30 20 GBED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCCCC#N)cn2)C[C@H](C)O1 1325241346 UCOMJDSFQFBEHD-STQMWFEESA-N 376.417 -0.123 30 20 GBED Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1331036911 QHBLJIUNWVGPLC-KRWDZBQOSA-N 384.436 -0.041 30 20 GBED CN1CCN(C2CCN(C(=O)C(=O)N3CCN(CCC#N)CC3)CC2)CC1 1332104437 ONAFFHMTJJBQMR-UHFFFAOYSA-N 376.505 -0.717 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2CC3(CCNCC3)CO2)CC1 1334005891 DUBOUZDSWDZRRP-INIZCTEOSA-N 390.484 -0.751 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)C1 1349330672 MNZYQPDZTMIQDL-LJQANCHMSA-N 388.399 -0.013 30 20 GBED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(C)(=O)=O 1359467799 ZAHWHZIWDXVZLQ-MNOVXSKESA-N 392.507 -0.471 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nn[nH]n1 1573285343 GTHLJVIQEMNBNO-QPSCCSFWSA-N 393.455 -0.020 30 20 GBED CC#CCCCC(=O)N[C@@H]1CCN(C(=O)CCOCc2cnn[nH]2)C[C@@H]1O 1575117142 GHZFIMFMLLTTNN-CVEARBPZSA-N 377.445 -0.017 30 20 GBED C[C@@H](OCc1cnn[nH]1)C(=O)N1CCOC[C@@H]1CNC(=O)CSCC#N 1575830744 VVAQNSWXXIZXAT-YPMHNXCESA-N 382.446 -0.690 30 20 GBED C=CCOCC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588674743 RZMJQPLRKCBPBC-INIZCTEOSA-N 375.389 -0.909 30 20 GBED CN1CCn2nc(C(=O)Nc3ccc(C#N)c(-c4nn[nH]n4)c3)cc2S1(=O)=O 1591195446 KGTVULHJNCHJLD-UHFFFAOYSA-N 399.396 -0.179 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H](CC2OCCO2)C(=O)O)cc1 1601102139 CEMRWTHKJLGPSY-ZDUSSCGKSA-N 382.394 -0.195 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCCN(CC(=O)O)C1=O 1603470761 OBJVVVIIPOSIKU-OLZOCXBDSA-N 386.412 -0.291 30 20 GBED CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCN(CCC#N)CC2)cc1 1643822461 UCYQTTKWKPGMHR-UHFFFAOYSA-N 380.470 -0.029 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2ccc(C(=O)O)c(F)c2)c(=O)n(C)c1=O 1776052052 CJRBIMDMIFIORI-UHFFFAOYSA-N 384.345 -0.766 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781111736 PGTZTJZZWHPOFP-CRAIPNDOSA-N 396.557 -0.085 30 20 GBED CC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1783139583 BPOCDQIJBSJUET-TYJAPOHBSA-N 379.461 -0.576 30 20 GBED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783563882 DMFXBNSZIXINFE-FZKQIMNGSA-N 387.396 -0.805 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@H]2C1 1786893454 FOTDXDLJDWXFSW-CWVYHPPDSA-N 395.456 -0.933 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cncn3)[C@H]2C1 1791611741 IWZLMZLBFMSNQU-WOYTXXSLSA-N 389.456 -0.143 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n(C)n1)C2 1797707366 KFRROMVGBTVUFM-LMWOUKEDSA-N 392.456 -0.098 30 20 GBED NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797817167 ZPOZNRUEUDLCHH-VPIUVWKISA-N 396.444 -0.630 30 20 GBED N#CC1(C(=O)N2CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)CC1 1807042079 CJNFAJJRCFNAMV-VYDXJSESSA-N 398.467 -0.016 30 20 GBED CC(=O)NCCC(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812663333 JMZVJGREOHLNLD-KXBFYZLASA-N 386.408 -0.298 30 20 GBED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2c[nH]c(=O)cn2)n[nH]1 1820249184 WJRJMLCIWDMQDN-GFCCVEGCSA-N 384.352 -0.113 30 20 GBED C[C@@H](S)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CC(=O)NC1=O)CC2 1826012594 FBCUMPFRWCJHCX-HTQZYQBOSA-N 397.482 -0.075 30 20 GBED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1831216383 NHSDPTFSLBMCRT-GOSISDBHSA-N 375.381 -0.136 30 20 GBED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1831691113 YOBQTCIKNZMQGC-IBGZPJMESA-N 394.472 -0.091 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)C1 1835303400 YDUPXJZTRGHNBZ-DNVCBOLYSA-N 377.441 -0.312 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc[nH]1)CCO2 1836018606 MORXPVXMNNVDKQ-LJQANCHMSA-N 389.408 -0.508 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Cn1cncn1)CCO2 1837648858 WQDXKUPPVOMOOI-ZQIUZPCESA-N 397.501 -0.311 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1839840301 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C=CCN1CC[C@H](N(C)C(=O)/C(=N/OCC(=O)OCC)c2cc[nH]n2)C1=O 281742007 OSQVPSPYLIJKEX-YJJAPZNASA-N 377.401 -0.061 30 20 GBED C=CCS(=O)(=O)CCNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 281750006 ZEASLZPNRJBQSI-HNNXBMFYSA-N 387.458 -0.681 30 20 GBED CCN(C(=O)[C@H](C)n1cnc(C#N)n1)C1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)C1 410014203 INQKKYFLZFDJDZ-NEPJUHHUSA-N 396.415 -0.506 30 20 GBED COc1ccc(CN2CC[C@H](NS(=O)(=O)N3CCO[C@H](C#N)C3)C2=O)cc1 410125372 ZIDCTNFPTFMDMO-CVEARBPZSA-N 394.453 -0.145 30 20 GBED Cc1nn(C)c(N2CCN([C@@H]3CC(=O)N(c4cnccn4)C3=O)CC2)c1C#N 472096457 KORJQARBIFTPCP-CQSZACIVSA-N 380.412 -0.156 30 20 GBED CN1CCN(S(=O)(=O)CCCCS(=O)(=O)NC(C)(C)C#N)CC1=O 519425105 IKYSQXDPUBLDDN-UHFFFAOYSA-N 380.492 -0.908 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCC[C@H]3CCO)CC2)c1C#N 521989930 HQPBIQMNZDUWMB-HOCLYGCPSA-N 388.472 -0.084 30 20 GBED N#Cc1cncc(S(=O)(=O)NCCNS(=O)(=O)c2cncc(C#N)c2)c1 557530575 REFZKNLLGYXTTA-UHFFFAOYSA-N 392.422 -0.523 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCCN1CCCCC1=O 557706905 SSIKXMVERBMLEQ-UHFFFAOYSA-N 389.460 -0.227 30 20 GBED COC(=O)[C@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 573459275 YUBXQGLSNBYCBY-SNVBAGLBSA-N 375.428 -0.424 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2(c3nn[nH]n3)CCCC2)cc1 576281293 BFUMNPXJCMGMFJ-UHFFFAOYSA-N 375.414 -0.065 30 20 GBED Cn1cc(C[C@H](CO)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 576882949 VDNOESHPYUHLCF-HNNXBMFYSA-N 391.453 -0.463 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@@H]4CCN[C@H]4C3)CC2)c1C#N 591581795 VGKHRSYXNZLNAP-HOCLYGCPSA-N 385.472 -0.541 30 20 GBED C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CC[C@@](O)(CC#N)C1 592149434 PCMWDVKSELALMC-GUYCJALGSA-N 380.470 -0.268 30 20 GBED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[C@@](O)(CC#N)C2)[C@@H](C)O)cc1 592847891 RJLXXWIFNYFDQI-KMFMINBZSA-N 381.454 -0.100 30 20 GBED CCN1CCN(CC(=O)N2CCN(c3ccsc3C#N)CC2)C(=O)C1=O 597933406 PBSDYLJRJFKUCZ-UHFFFAOYSA-N 375.454 -0.041 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(N3CCOC[C@H]3C)CC2)C1=O 615091619 LKHLMBOGLTTWEG-CYBMUJFWSA-N 378.429 -0.325 30 20 GBED CC#CC[C@H](CO)NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 645316107 KHEZEJYLKHMTCE-CQSZACIVSA-N 383.474 -0.353 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)NCCCN2CCCCCC2=O)CC1 728570617 HXQXJPTXMQLYJB-UHFFFAOYSA-N 391.516 -0.738 30 20 GBED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H]1CCCN1S(C)(=O)=O 766985431 DRUFRDMVBMHQKJ-NSHDSACASA-N 387.439 -0.204 30 20 GBED C=CCOC[C@@H](NS(=O)(=O)N1CCN(C(=O)OCC)CC1)C(=O)OC 795404679 FACFZLQSOQMLFF-GFCCVEGCSA-N 379.435 -0.661 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ccccc1=O 960370886 JOPPKDGVPAPRRF-LTIDMASMSA-N 387.436 -0.122 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C2CN(C(=O)[C@H]3OCCO[C@H]3C)C2)CC1 967253078 FOSUYHXVLQFEOC-RANZSIQMSA-N 393.484 -0.264 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c(O)nnc2O)[C@@H]1C 988278711 LXBMVWJRDHDVRS-UHXUPSOCSA-N 379.417 -0.224 30 20 GBED N#Cc1nccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)n1 1044768091 SRWOGSZUZSCLTK-DTVLGXAZSA-N 387.318 -0.640 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCO1 1117886789 MCXMABWQYDWMIK-AWEZNQCLSA-N 387.396 -0.998 30 20 GBED CC(=O)N1CCC[C@H](C(=O)NCC#CCNC(=O)[C@H]2CCCN(C(C)=O)C2)C1 1320379722 ZGGBGCWIEKUWFM-ROUUACIJSA-N 390.484 -0.261 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)n1 1322098388 IPHIPMDGZYZFMZ-AWEZNQCLSA-N 395.485 -0.595 30 20 GBED C[C@@H]1CC[C@@H](C)N1CCN1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1326251534 ZCLGMEABUPKARY-HLIPFELVSA-N 391.516 -0.120 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)C1=O 1330002810 NRSSORYIMZLMAS-GJZGRUSLSA-N 392.456 -0.872 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)CCO1 1331022407 XVUHOYHVESIBPD-OAHLLOKOSA-N 388.399 -0.210 30 20 GBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1332777640 IABPSXPFQSSXOD-HZPDHXFCSA-N 387.440 -0.354 30 20 GBED C[C@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)N(C)C 1346756675 CRSGJSKCJVIDOL-WFASDCNBSA-N 385.424 -0.632 30 20 GBED C=CCn1c([C@@H]2SCCNC2=O)nnc1N1CCN(CC(=O)N(C)C)CC1 1351574825 YAAYJLRNGRRPFH-AWEZNQCLSA-N 393.517 -0.422 30 20 GBED C#Cc1ccc(C(=O)N(C)C[C@@H](O)CN=c2cc[nH]cc2-c2nn[nH]n2)nc1 1573288100 IMIOOQVRKPFSJY-ZDUSSCGKSA-N 378.396 -0.395 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCOC)c1cncc(-c2nn[nH]n2)n1 1573351407 MSERJUGCYCQLAO-OCCSQVGLSA-N 388.432 -0.183 30 20 GBED C#CCN(CC#C)c1nnc([C@H]2C[C@@H](N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1574632670 XLWPZUACSDQTKH-JKIFEVAISA-N 377.470 -0.895 30 20 GBED CN(C)S(=O)(=O)C[C@@H](Nc1cnc(C#N)c(-c2nn[nH]n2)n1)C(F)(F)F 1578996683 XIOZEADPSFQOAR-SSDOTTSWSA-N 391.339 -0.237 30 20 GBED COc1ccc(C#N)cc1Cn1c(=O)c(-c2nn[nH]n2)c(C)n(CCO)c1=O 1579968866 BMDXUVOXXWUTGH-UHFFFAOYSA-N 383.368 -0.581 30 20 GBED C#CCN(C(=O)Cn1cccn1)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 1588348273 OMLAUIZVBWTGOV-UHFFFAOYSA-N 392.427 -0.016 30 20 GBED C=CCn1cc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[nH]n3)c(C)n2)nn1 1588713461 LXDPQAZCDCHOCV-LLVKDONJSA-N 384.404 -0.450 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCO1 1588722961 DXISMXUWQFJDEA-XQQFMLRXSA-N 386.416 -0.431 30 20 GBED C=CCCSCCNC(=O)C(=O)N1CCN([C@]2(C(=O)O)CCOC2)CC1 1588814576 FKAQMJJWSGUXSG-QGZVFWFLSA-N 385.486 -0.200 30 20 GBED C=CCC[C@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1602833348 KKYADSUDHORXKK-WCQYABFASA-N 394.457 -0.023 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCCC1=O)C2 1782010199 BHIDOKSNGGWMNS-AUUYWEPGSA-N 391.424 -0.789 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)COC(=O)C(F)(F)F)CCO2 1783565206 QAJSHWZJWVFZEZ-AWEZNQCLSA-N 392.286 -0.990 30 20 GBED N#CCCC(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785538137 JIQQHUYPQYCJHF-INIZCTEOSA-N 396.494 -0.020 30 20 GBED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCC(=O)N2)C3)cc1 1792555694 DOXMNWCTPJYSJY-CLWJZODNSA-N 396.447 -0.031 30 20 GBED Cc1nccn1CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800781099 IDTWNOVJNTYQPB-CCWDJLKJSA-N 388.424 -0.351 30 20 GBED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CC(=O)NC1=O)CC2 1826012596 FBCUMPFRWCJHCX-JGVFFNPUSA-N 397.482 -0.075 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1830063036 HJSYXOFGSMLAPY-HRLGVUPISA-N 377.441 -0.115 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1 1831403292 ZPGOECYAYYIZLF-MDZRGWNJSA-N 380.441 -0.482 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2 1831466228 OQGNYMQTHIQGJJ-RHSMWYFYSA-N 388.486 -0.300 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1834758679 UMKXOQZLXSYCSS-QFBILLFUSA-N 387.440 -0.158 30 20 GBED CN(C)C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1835433059 FCLMKDGMCVSYHZ-SFHVURJKSA-N 389.412 -0.955 30 20 GBED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)CN)CCO3)C2)c1 1835544131 ISWOUZHMRCPOQL-FQEVSTJZSA-N 386.452 -0.094 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1840157328 LOIWNJLDJQMTIZ-MLGOLLRUSA-N 388.490 -0.968 30 20 GBED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(c2cc(C#N)ccn2)CC1 29445128 VFUJLKKXCMNPOR-LBPRGKRZSA-N 397.439 -0.674 30 20 GBED CN(CCCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)S(C)(=O)=O 49733191 LTNNPJBWZDAAGT-UHFFFAOYSA-N 387.483 -0.129 30 20 GBED CC(=O)NCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 53527161 INIYPZYKINVVAF-UHFFFAOYSA-N 379.442 -0.290 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(=O)OC)s2)CC1 265649738 YCIADYJQINQIKH-UHFFFAOYSA-N 399.494 -0.020 30 20 GBED COCCN1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1=O 282341835 BYUKOXBQRXACMA-UHFFFAOYSA-N 380.426 -0.233 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 290175820 YMRRJENSYFHPOD-CYBMUJFWSA-N 396.469 -0.776 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1=O 298013586 ZMICFIPMAHNFOW-MRXNPFEDSA-N 396.451 -0.153 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1 330642803 GIQNOQKWUDVNMF-GOSISDBHSA-N 379.461 -0.956 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](S(=O)(=O)NC)C2)cc1 365282029 XHVCARXHRGMGBT-HNNXBMFYSA-N 399.494 -0.248 30 20 GBED C=CCN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H]1CCS(=O)(=O)C1 369020921 FCWQHEADUSJVBX-CVEARBPZSA-N 399.513 -0.631 30 20 GBED N#Cc1ccc(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)cc1F 415860511 NBVCUULPKHXDOL-UHFFFAOYSA-N 395.416 -0.918 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC(=O)NC[C@@H]2C(=O)OC)c1 447928696 IHUIECIWEWLETH-CYBMUJFWSA-N 381.410 -0.736 30 20 GBED COCCC(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 475665856 GSZGDEVZEBYXSA-KRWDZBQOSA-N 379.505 -0.141 30 20 GBED N#Cc1ccc(O[C@H]2CCN(C(=O)NC[C@@H]3CS(=O)(=O)CCO3)C2)nc1 489945605 NZNGETDPKMLOMS-UONOGXRCSA-N 380.426 -0.070 30 20 GBED COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)N(C)CCC#N)CC1 507513251 WLUWTJAEUIRZQI-AWEZNQCLSA-N 375.495 -0.765 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CC(N)=O 559447355 NIGVZTUDZXGABR-UHFFFAOYSA-N 398.444 -0.791 30 20 GBED C=CCSCCNC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 579989253 HQMCTQFFRCRXOI-IGQOVBAYSA-N 377.466 -0.055 30 20 GBED C=CCNC(=O)NC(=O)CN1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C 591058558 KCNJKNDYWAZYMZ-LLVKDONJSA-N 375.447 -0.561 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CC1 733150174 DOROJHSDAFVOCM-KRWDZBQOSA-N 397.479 -0.286 30 20 GBED C=CCN1CC[C@@H](OC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)C1=O 798656125 QJDLRCGZDSYHMS-SJKOYZFVSA-N 379.413 -0.068 30 20 GBED C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCCO1 821715162 YQMHNCKPGPSZRW-RYUDHWBXSA-N 395.437 -0.048 30 20 GBED CCO[C@@H](CNC(=O)c1c[nH]c(C#N)c1)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 825577115 TTZBUCYMTIZZQK-ZDUSSCGKSA-N 397.399 -0.041 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/CN(C)CC(F)(F)F)CC1 831574953 SXFDWRNAYYMKMS-SNAWJCMRSA-N 382.408 -0.352 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 850710317 ZAKYKEUPCDFPJP-UHFFFAOYSA-N 387.440 -0.673 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NC)cc2)CC1 867425383 FVCNNHLQSYUTEI-UHFFFAOYSA-N 392.481 -0.757 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 919650741 WTOGWNZUIMGAGT-VXGBXAGGSA-N 375.447 -0.008 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)S(C)(=O)=O)C[C@H]1O 1023942790 PEMGQVKHZFILMX-DGAVXFQQSA-N 388.486 -0.521 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccn(C)c2=O)C1 1024921745 MOMFUUAZFTZEOU-XZDPQHSOSA-N 375.425 -0.332 30 20 GBED C#CCN1CCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1058231063 UHAODKMAMYHFJU-UFYUIRFASA-N 375.469 -0.556 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1C[C@H](OC)CN1C(C)=O 1110860135 TWSSKGXEHAVXLC-BPKGMFCQSA-N 378.473 -0.354 30 20 GBED N#CCc1ccc(OC[C@H](O)CN2CCN(CCS(N)(=O)=O)CC2)cc1 1118492091 GDKWTARVSALRMP-MRXNPFEDSA-N 382.486 -0.602 30 20 GBED COCC[C@H](CCCC(=O)N1CC(O)(CC#N)C1)C(=O)N1CC(O)(CC#N)C1 1256604172 NMZWOSKEFDPYMP-HNNXBMFYSA-N 392.456 -0.217 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCC(C(=O)NCC(=O)OCC)CC1 1261092718 MOFXPUHFEMHUSQ-UHFFFAOYSA-N 383.470 -0.613 30 20 GBED N#CC[C@@H]1CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)C1 1261712281 OISANDDGEXYUCQ-ZDUSSCGKSA-N 379.442 -0.372 30 20 GBED CN(C)C(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1261860915 JTALMJADDHORDX-HIFRSBDPSA-N 376.461 -0.553 30 20 GBED COCC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1315967622 WPNGIAKZWUXCBP-SUMWQHHRSA-N 380.449 -0.067 30 20 GBED C#CCSCCNC(=O)C(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1 1319351074 YEHCURKKIJSSRA-LBPRGKRZSA-N 384.483 -0.028 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1 1321608571 ZQSWUVWYAGZZGG-XJKSGUPXSA-N 393.444 -0.318 30 20 GBED CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cc1 1326111096 IJZQEKNPEKGGMV-KRWDZBQOSA-N 394.453 -0.522 30 20 GBED CCOC[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)nc3)CC2)CCO1 1329777573 XKUCKPADXOXXDG-QGZVFWFLSA-N 387.440 -0.134 30 20 GBED Cc1nccnc1N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1335491846 PWRCOOSWDNZAKJ-INIZCTEOSA-N 383.456 -0.368 30 20 GBED C=CCn1c(CN2CCC[C@@H](O)C2)nnc1N1CCO[C@H](CNC(C)=O)C1 1339598052 JOABWBKAHPNHGR-HZPDHXFCSA-N 378.477 -0.238 30 20 GBED C#CCSCCNC(=O)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 1343799875 KLDLTEAMULBDHM-SFHVURJKSA-N 388.449 -0.160 30 20 GBED N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCC2)CCO1 1555993489 PEWMMNLDQLJEBP-OLZOCXBDSA-N 381.458 -0.176 30 20 GBED C#CCN(c1nnc(-c2cnn(C)c2)n1CCNC)[C@@H]1CCS(=O)(=O)C1 1574674327 XLZBMMKBFKFJDQ-CQSZACIVSA-N 377.474 -0.475 30 20 GBED CC(=O)NCC(=O)N(Cc1cnn[nH]1)C1CCN(c2ccnc(C#N)n2)CC1 1575151787 QQMLKHSIVNTPOL-UHFFFAOYSA-N 383.416 -0.400 30 20 GBED C#C[C@@H]1CCCN(c2nnc(Cn3cnc(-c4nn[nH]n4)n3)n2CCOC)C1 1588332550 MVMDLURPCYYPSL-GFCCVEGCSA-N 383.420 -0.406 30 20 GBED C#CCNC(=O)[C@H](C)NC[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588353507 VROMXFIUDLZDTF-GXTWGEPZSA-N 384.444 -0.083 30 20 GBED C#Cc1ccc(C(=O)N2CCO[C@@H](CNc3nccnc3-c3nn[nH]n3)C2)nc1 1588365339 XCLRNEVNCDIQOJ-ZDUSSCGKSA-N 391.395 -0.014 30 20 GBED C=C[C@](C)(O)CC(=O)N1C[C@@H]2C(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H]2C1 1588500090 QOAWQMRALRKPAW-FMTVUPSXSA-N 385.428 -0.044 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@@H](CO)NCc1cc(-c2nn[nH]n2)ccc1F 1588502540 SZNXUVDEMXETES-SUMWQHHRSA-N 378.408 -0.100 30 20 GBED C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1C[C@H]2CN(C)C[C@@]2(C)C1 1588708400 GOYHFXJYDHZQTF-PXAZEXFGSA-N 396.463 -0.328 30 20 GBED CN(CCC#N)S(=O)(=O)N1CCN(c2cccc(-c3nn[nH]n3)n2)CC1 1591061919 JSBYMSSTNOQEDN-UHFFFAOYSA-N 377.434 -0.526 30 20 GBED COC(=O)[C@H](O)C1CCN(CC#CCN2CCC([C@H](O)C(=O)O)CC2)CC1 1610154676 HPDXXOXSXOPGJU-DLBZAZTESA-N 382.457 -0.607 30 20 GBED C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)C1 1649446429 NGVYUOCJJHOHNE-KBPBESRZSA-N 388.472 -0.428 30 20 GBED C[C@H](Nc1cnccn1)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779062553 WEFVBXORKGFUPJ-SCLBCKFNSA-N 387.396 -0.805 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780334318 JSDQVQPPHNPKED-ACJLOTCBSA-N 388.428 -0.223 30 20 GBED CC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1783139967 ILZWPIDUJJLRBE-HLNVMSFQSA-N 396.444 -0.519 30 20 GBED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21 1783685152 KHARPJSKJSGNES-IHRRRGAJSA-N 388.424 -0.559 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnn(C)c3)C[C@@H]21 1784481011 CRAPAEGLJMIHCK-UBDQQSCGSA-N 388.468 -0.019 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cnccc2[nH]1 1797518608 FZCZVIKLRRWREI-IVWMJMPLSA-N 382.376 -0.146 30 20 GBED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2 1797741032 SQJKXQNYVMJKBI-ZDFAKYFCSA-N 391.472 -0.674 30 20 GBED CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)C(C)(C)C 1800773463 FBQBGFNJHVOATE-RMHZUWNSSA-N 393.440 -0.785 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1830054552 SZQANGLEOVDSRV-ACJLOTCBSA-N 378.429 -0.729 30 20 GBED O=C(O)CSCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831225034 PPNSUHOORNIXNQ-GOSISDBHSA-N 396.465 -0.326 30 20 GBED Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)n1 1834052134 UOPWQGOPVCNWEK-LJQANCHMSA-N 387.392 -0.452 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834380827 JBIZBKKPRNBFQI-QFBILLFUSA-N 392.456 -0.069 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1834767502 RQOMAJSFXXSGFE-SFHVURJKSA-N 389.412 -0.515 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)CC1 1835338630 NYVSBDWCMISMBC-SFHVURJKSA-N 392.412 -0.801 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccncc1=O)CCO2 1839665709 SXSACGKRFCAVFZ-SFHVURJKSA-N 376.413 -0.724 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3CCCCO3)C2)C1 1840040875 CHDQAXBQBXIZNY-BEFAXECRSA-N 394.424 -0.510 30 20 GBED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)on1 1840041147 VHSNTXGHMMELJV-GOSISDBHSA-N 391.380 -0.930 30 20 GBED Cc1ncccc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041573 VIYGZUHXCWDHMF-IBGZPJMESA-N 387.392 -0.452 30 20 GBED C/C(=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)C(=O)O 1840835744 FUUBFCUILWTHPJ-LMICACPXSA-N 376.409 -0.113 30 20 GBED C=CCOCCCC(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1841603980 XJADAKYWGSXGEM-CYBMUJFWSA-N 378.429 -0.229 30 20 GBED Cn1c(=O)c(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)nc2ccccc21 1843744742 RDBIFSBSJNRINJ-UHFFFAOYSA-N 394.387 -0.162 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)NC3CC3)CC2)CC1 92616833 KQZQHLIIUSBGJU-SFHVURJKSA-N 390.532 -0.425 30 20 GBED C/N=C(/NCc1nnc2n1CCC2)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 261965354 LJNBCAVQOHYNCW-HNNXBMFYSA-N 388.520 -0.072 30 20 GBED CC(C)(C(N)=O)N1CCN(/C(=N\C2CC2)NC[C@@H]2CCS(=O)(=O)C2)CC1 262329102 AOKTWOVNMBITCD-ZDUSSCGKSA-N 385.534 -0.589 30 20 GBED C/N=C(/NC[C@H]1CN(C)CCN1C)N1CCN(CC(=O)N2CCCCC2)CC1 262776529 KEDCQIGNLQIYEN-SFHVURJKSA-N 393.580 -0.562 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)c1 264771238 VHAMMKVOSLYONY-CYBMUJFWSA-N 399.494 -0.261 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(OCC(=O)NC)cc2)C1=O 281596038 ZTCXQBBETCJEEZ-HNNXBMFYSA-N 388.424 -0.005 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCNS(=O)(=O)CC)cc1 299059625 KZBRABPQKMJLRV-UHFFFAOYSA-N 382.442 -0.404 30 20 GBED CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N 349464881 CUSQCTKLFWFFGR-NWDGAFQWSA-N 389.455 -0.477 30 20 GBED N#CC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc3ccccn23)C1 349508164 WGCPTPFTVBNBCU-UHFFFAOYSA-N 384.443 -0.354 30 20 GBED C[C@@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)Nc1nnc2ccccn12 349573907 KVLHPKNOKORXBF-NSHDSACASA-N 386.459 -0.060 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)cc1 377597556 BVZSXFYOLIOFLB-CYBMUJFWSA-N 376.398 -0.675 30 20 GBED COC(=O)[C@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)Cc1ccc(O)cc1 410117275 MFILWUUACVKHRZ-ZFWWWQNUSA-N 383.426 -0.217 30 20 GBED COC(=O)C[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 444530309 XJFWWVZGAMPJTI-CYBMUJFWSA-N 376.417 -0.169 30 20 GBED CC(C)[C@@H](NS(=O)(=O)N(C)CCC#N)C(=O)N(C)Cc1nnc2n1CCC2 480620967 CRLAHDAOHNADOD-OAHLLOKOSA-N 397.505 -0.113 30 20 GBED N#C[C@@H]1CN(C(=O)c2cn(CCO)c(=O)nc2O)CCN1Cc1ccccc1 497886527 LOWYGLMXWXPTKV-OAHLLOKOSA-N 383.408 -0.209 30 20 GBED C=CCN(CCOC)C(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 504351538 LDWAGXVOAWBTSW-UHFFFAOYSA-N 376.413 -0.238 30 20 GBED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H](CO)[C@H](CO)C2)CC1 528606405 WBLUIZFNUAYBFS-HRCADAONSA-N 378.498 -0.010 30 20 GBED C=CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 564646509 KQVPVJSCKKSQGI-UHFFFAOYSA-N 398.441 -0.706 30 20 GBED CN(CCOCCO)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 566995415 GXAPJQBPBLEKDQ-INIZCTEOSA-N 388.424 -0.757 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1)C(=O)N(C)C 570294892 WJLRZTYMNDUVLH-LLVKDONJSA-N 388.471 -0.414 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CCC(N)=O)cc1 578143674 YFRJXZYDKXCARX-UHFFFAOYSA-N 388.471 -0.283 30 20 GBED COCC[C@@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 579771968 ZBGARSALOUTKBC-KRWDZBQOSA-N 394.453 -0.144 30 20 GBED COCCN1CCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)CC1 590975714 AQAMZRWVPGAELU-UHFFFAOYSA-N 386.456 -0.608 30 20 GBED C[C@@]1(C(N)=O)CCN(C(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)C1 595170459 UWDKZXKDCKVKMW-QGZVFWFLSA-N 375.454 -0.008 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)NC[C@H]1C[C@@H](O)C1 600767479 QVRWPVVVMXSRRG-UPJWGTAASA-N 397.544 -0.662 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1 728589944 NXBKELGBGRPBQT-UHFFFAOYSA-N 392.437 -0.813 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)CCCC)CC1 728611661 WFWBEPWSHNXGTL-INIZCTEOSA-N 398.529 -0.526 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCN(c3cnn(C)c3)C2=O)C1=O 732335994 QLJYUESUHJIPFN-LLVKDONJSA-N 375.341 -0.955 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(O)c([N+](=O)[O-])c1 749626173 MNLQCUOTSBUFIY-UHFFFAOYSA-N 397.369 -0.600 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCN(CC[S@](C)=O)CC1)c1cc[nH]n1 772301000 UOJRGVUHIGFACJ-MHZLTWQESA-N 399.473 -0.784 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1cccc(OCC(N)=O)c1 787754943 IVZPUWFMPVRBHN-UHFFFAOYSA-N 396.407 -0.338 30 20 GBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 799285833 AYOVJSZKMNKVFH-QGZVFWFLSA-N 387.436 -0.083 30 20 GBED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(-c3nn[nH]n3)cs2)c1=O 822590061 HAXJCKDQZIZAHW-UHFFFAOYSA-N 399.461 -0.530 30 20 GBED CN(C)S(=O)(=O)N(C)CC(=O)OCC#CCN1C(=O)c2ccccc2C1=O 859728969 BNHBQAGGSMLLSB-UHFFFAOYSA-N 393.421 -0.433 30 20 GBED CCC(=O)N[C@@H](C)C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 915388442 KAPOPRHEIMOCTA-NSHDSACASA-N 377.401 -0.039 30 20 GBED Cn1c(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(C#N)cc3)nc2n(C)c1=O 916178758 WARYRZFSRIFZGV-UHFFFAOYSA-N 399.388 -0.377 30 20 GBED C=CCn1cc(C(=O)N2CCOC[C@H]2CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)nn1 964284685 UVHBTGQCQPHZED-SGAAXARDSA-N 387.440 -0.155 30 20 GBED C=CCn1cc(C(=O)N[C@H]2COC3(C2)CN(C(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@@H]42)C3)nn1 965711693 TYFWDMSJHZGPSI-SGAAXARDSA-N 399.451 -0.013 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c(C)nn(C)c2OC)C[C@@H]1O 970706913 QDXOPUBBFZHKIR-MQYQWHSLSA-N 378.429 -0.370 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C[C@@H]2CC(=O)NC2=O)cn1 998222020 YFDIDENVSSOPNE-OJLVUWQFSA-N 380.404 -0.023 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(=O)NCC1CC1 1109897644 DDVBOKQLSSLCPZ-PMPSAXMXSA-N 375.473 -0.004 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCC(=O)N1C 1110903359 HZJVWFIFQQDCMD-MQYQWHSLSA-N 377.445 -0.660 30 20 GBED N#CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 1118619543 OSLSLQBMWZZTIG-DLBZAZTESA-N 377.489 -0.339 30 20 GBED CNC(=O)[C@@H]1CN(C(=O)C(=O)N(CCOC)Cc2ccc(C#N)cc2)CCO1 1261320887 NVZMVOGPMJWEHB-INIZCTEOSA-N 388.424 -0.493 30 20 GBED CS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1302471510 VQTXWJITUUTNCM-OAHLLOKOSA-N 384.437 -0.113 30 20 GBED CC(C)CN(CCN(C)C)C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1322760582 QVAIECBGPDBAHQ-FOCLMDBBSA-N 379.461 -0.325 30 20 GBED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C#N)c(F)c2)C1 1327765842 JDUDZEYXIWBKDE-CYBMUJFWSA-N 382.417 -0.146 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 1331244864 GCTZOCPNGORMNC-KBPBESRZSA-N 382.442 -0.001 30 20 GBED C=CCn1c(C2CCN(CCO)CC2)nnc1N1CCN(S(C)(=O)=O)CC1 1340414023 CQYOYBZCRJGXMZ-UHFFFAOYSA-N 398.533 -0.283 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC([C@H](O)C(=O)OC)CC2)CC1 1341899384 QQLCXHGHLWCICA-INIZCTEOSA-N 381.473 -0.084 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC(NS(=O)(=O)CCC)CC1)[C@H]1CCCO1 1343081111 SHYGVUQDQDPXTK-LSDHHAIUSA-N 385.486 -0.396 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCN1C1CC1 1352356167 MNJSRRUUKOGNNE-IAGOWNOFSA-N 375.473 -0.445 30 20 GBED N#Cc1cn(CCC(=O)NCCN2C(=O)COc3ccccc32)c(=O)nc1O 1464608725 KQUHTKVXFBZZKW-UHFFFAOYSA-N 383.364 -0.248 30 20 GBED CN(C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)CCn1cc(C#N)c(O)nc1=O 1466220240 RLZVFEQAJQFECY-ILXRZTDVSA-N 375.429 -0.079 30 20 GBED Cc1nn(CC(=O)[C@H](C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)c(=O)n1C 1515189212 UXTGGQHNOGBXIM-AWEZNQCLSA-N 384.396 -0.060 30 20 GBED C#CC[C@H](CC)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C 1519189628 WKWVCQLRCIFJBM-HNNXBMFYSA-N 388.472 -0.161 30 20 GBED N#C[C@]1(F)CCN(c2nnc([C@H]3CCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1555985164 JZDHWGMXHJKJHI-MAZHCROVSA-N 399.448 -0.226 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)c(C)n2)C[C@@H]1O 1573351682 OUKJQXQLYOFOIL-KBXIAJHMSA-N 385.428 -0.173 30 20 GBED C#CCN(C(=O)[C@H](CC)N(C)C)C1CCN(CC(=O)NCc2cnn[nH]2)CC1 1574895316 QTTHCWSLTRUSRN-KRWDZBQOSA-N 389.504 -0.313 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588443586 VBUDUCISDPASLJ-DYEKYZERSA-N 389.416 -0.617 30 20 GBED Cc1c(C#N)c(=O)n(CC(=O)Cc2ccc(-c3nn[nH]n3)cc2)c(=O)n1CCO 1591799209 FERIHEWVGAJNEU-UHFFFAOYSA-N 395.379 -0.826 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC1CCN(CC(N)=O)CC1 1592665152 DGLBLLAOAPHYAH-CQSZACIVSA-N 382.428 -0.385 30 20 GBED C#CC[C@@H]1CCCN(c2nnc(Cn3cnc(-c4nn[nH]n4)n3)n2CCOC)C1 1602698955 BJIVBURXUSRLPC-CYBMUJFWSA-N 397.447 -0.016 30 20 GBED C#CCN(C)CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[nH]n1 1602716876 SFLKPWYXUBSHJV-UHFFFAOYSA-N 387.448 -0.172 30 20 GBED CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1 1618839244 VOGUSDVLDLOXDV-UHFFFAOYSA-N 395.489 -0.197 30 20 GBED CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)C1 1696876002 IYGHILROVILWQD-IBGZPJMESA-N 381.440 -0.180 30 20 GBED CN(C)C(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779105300 TWWFUPMSOCKLNL-HNUSORCJSA-N 396.444 -0.567 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(C)=O)C[C@@H]21 1784483147 LUJVHSXOLXIYJC-HJWJTTGWSA-N 379.457 -0.469 30 20 GBED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)[C@@H](N)CCC(N)=O)CCO3)C2)CCC1 1785365630 KFKZESUJVYAWKQ-UGSOOPFHSA-N 377.445 -0.897 30 20 GBED O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1786563391 UDIZXILAQZPHCA-HVTWWXFQSA-N 397.475 -0.259 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CNC(=O)C4)[C@H]3C2)c1 1790860102 OENLXLJNVPDWHN-YXWQFLTLSA-N 385.424 -0.384 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN(C)C(C)=O)C2 1793340807 ONLKRNRVHQDNIR-NYCLONFESA-N 379.457 -0.517 30 20 GBED C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2)[C@H]1SC(=N)NC1=O 1796879182 VACAKRGALDGZIO-YNXVLUOKSA-N 392.437 -0.485 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1O)CCO2 1833758600 IDWWLGIBHMCMJM-IBGZPJMESA-N 388.376 -0.450 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccon3)CCO2)C1 1834483838 YQISDIJLMIRZGA-KBXCAEBGSA-N 377.397 -0.217 30 20 GBED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC#N)CCO2 1835362777 UULOORNOWHIZRN-MDNBWPLSSA-N 378.429 -0.214 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCN(C)CC1)CCO2 1836678593 XQMJUUABZCRHDJ-FQEVSTJZSA-N 392.500 -0.896 30 20 GBED C[C@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839165454 LPQQLDPCTMCKSK-KSSFIOAISA-N 378.429 -0.729 30 20 GBED CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840883652 DAXMQQXSGLABFB-GOSISDBHSA-N 381.429 -0.054 30 20 GBED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(S(N)(=O)=O)CC1 263709849 MNFYBFURDZEAGL-UHFFFAOYSA-N 391.457 -0.502 30 20 GBED CO/N=C/c1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 264210143 SRKYPUIXQJQTCC-CDVYCHGGSA-N 381.454 -0.106 30 20 GBED COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN3CCOC[C@@H]3C#N)C2=O)c1 266881647 XPFKSRDZCWLPPN-UGSOOPFHSA-N 387.396 -0.282 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)N1CCOCC1 272045425 SAQOOOWTYGXSSK-LBPRGKRZSA-N 380.426 -0.800 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCCNS(=O)(=O)c1cccs1 281797664 PRPNODDYWPNMDJ-UHFFFAOYSA-N 396.516 -0.277 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](N2CC=CC2)C1 349481004 YOZWLRVBFKHASM-LSDHHAIUSA-N 390.531 -0.174 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CC[C@H]2O)nc1 349596674 ZIDONNBCBGRWEN-CHWSQXEVSA-N 388.471 -0.082 30 20 GBED COCCN1CC[C@@H](NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 460597361 IZDSHFVIAORFQL-OAHLLOKOSA-N 397.439 0.223 30 20 GBED COc1ccc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)nc1 492211487 SUCZYXKKRCJVJE-UHFFFAOYSA-N 397.439 -0.031 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@H](CC(N)=O)C2CCOCC2)CC1 542568124 FJVNTHQYJTYFFH-DLBZAZTESA-N 379.505 -0.061 30 20 GBED COCC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 565229008 NMOFECWGPZPAHE-NSHDSACASA-N 377.444 -0.836 30 20 GBED CCNC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 589283051 XJCQYICVSHFKBN-UHFFFAOYSA-N 393.469 -0.883 30 20 GBED CCOC(=O)Cn1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n1 594423453 VKRJBFPYJMMHNK-UHFFFAOYSA-N 391.409 0.235 30 20 GBED C=C(CNC(=O)c1cc(C(=O)OC)on1)CNC(=O)c1cc(C(=O)OC)on1 598503243 SDAGTDWUSJWNIN-UHFFFAOYSA-N 392.324 -0.048 30 20 GBED C=CC[C@@H](CO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(OC)cc1 680464210 GJLVMNQZHWSMJV-XEZPLFJOSA-N 384.454 -0.128 30 20 GBED Cn1c(=O)c2c(ncn2CC(=O)OCCNc2ncccc2C#N)n(C)c1=O 732504512 YMCAIHBUKRXSRW-UHFFFAOYSA-N 383.368 -0.644 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC3(CC2)COC(=O)N3)c1=O 784023555 NIPZOHMOGLEQGP-UHFFFAOYSA-N 377.401 -0.924 30 20 GBED Cc1nn(C)c(N2CCN(Cn3cc(S(=O)(=O)N(C)C)cn3)CC2)c1C#N 788043183 BHHCDSSZHHTTHJ-UHFFFAOYSA-N 392.489 -0.173 30 20 GBED N#Cc1cc(C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1F 792321393 NZNJDLNVAKUESV-LLVKDONJSA-N 383.357 -0.133 30 20 GBED C#Cc1cncc(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1 798160460 ULLVJOOADRKUJJ-UHFFFAOYSA-N 377.470 -0.687 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)NC(=O)c2cccs2)CC1 831556106 HRFXXRARSKIQNW-GFCCVEGCSA-N 384.483 -0.522 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CC1 831556794 UOJHIZCHQDGEFR-HNNXBMFYSA-N 382.486 -0.753 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OCC(F)F)nc2)CC1 831565539 VAOFHFKFVRMGKG-UHFFFAOYSA-N 388.396 -0.049 30 20 GBED NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCN(O)C1=O 848135582 FRHHMWLNNITHGK-OLZOCXBDSA-N 378.385 -0.347 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 850712144 JDWHDZZEZDYYLH-INIZCTEOSA-N 378.473 -0.750 30 20 GBED CCc1nc(C#N)cc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)n1 853397254 ZMDFHGHEERUXNL-CYBMUJFWSA-N 399.498 -0.450 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 875599032 NRFXQAKMIYCQGT-IRXDYDNUSA-N 392.500 -0.314 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CC[C@@H]2CCCCO2)CC1 882510900 UFRWYKQRWUVBNO-AWEZNQCLSA-N 379.504 -0.639 30 20 GBED N#Cc1ccc(NCCNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)nc1 917879540 GEZUKDVOANCNTA-UHFFFAOYSA-N 381.439 -0.009 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnc(OC)n2)C[C@@H]1O 964610882 SOTUMUYPUNJFTQ-RZFFKMDDSA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cncc(OC)n2)C[C@@H]1O 964615589 ZZQNDKOSPXCDRX-RZFFKMDDSA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccnc3c2nnn3C)C1 970133028 PJFZOOQEGVMICY-ZZVYKPCYSA-N 386.412 -0.744 30 20 GBED O=C(Cn1[nH]cc2c(=O)ncnc1-2)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 1005108360 LXXMMAZIKRNFIN-YUELXQCFSA-N 380.408 -0.267 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC(=O)NC(=O)C2)c1 1005971936 KVNJFFVRDWKFJH-OAGGEKHMSA-N 380.404 -0.023 30 20 GBED Cc1csc(=O)n1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109408640 UJRXNDLQOPIRLJ-RDBSUJKOSA-N 377.470 -0.030 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCCN1C[C@H](C)O[C@H](C)C1 1117586960 NZLZJVHCSIWZSF-OKILXGFUSA-N 375.491 -0.681 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCNS(=O)(=O)NC(C)C 1261196793 MHOUDSLRQUCODU-STQMWFEESA-N 376.479 -0.968 30 20 GBED CCN(CC)C(=O)N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1261850070 YNAXQRGNLNBINU-INIZCTEOSA-N 390.488 -0.209 30 20 GBED CN1CCN(C(C)(C)CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1318542249 UOLWFTCJKYCYRF-UHFFFAOYSA-N 393.513 -0.133 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)CN2CCCC2=O)cc1 1319572078 GKJXRQMXMBXEOA-CQSZACIVSA-N 381.454 -0.136 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 1320292534 QOZZUQRIZICUAU-UHFFFAOYSA-N 375.428 -0.859 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)n1 1322940869 CAZDZOWCOITTKT-UHFFFAOYSA-N 383.474 -0.691 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O 1323323656 LFYXGYJVNULRFK-UHFFFAOYSA-N 381.454 -0.241 30 20 GBED COC(=O)N1CC(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1323341513 FWXWLAXBWVTZSC-OAHLLOKOSA-N 399.407 -0.658 30 20 GBED C=C(Br)CNC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 1324331443 XSQPMRJUDZLFBW-UHFFFAOYSA-N 391.247 -0.499 30 20 GBED COCCN(CCOC)C1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1326268401 TWIFIJQLCRNYID-LJQANCHMSA-N 396.488 -0.551 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)CCN1C1CC1 1332036473 ILUWLPKCGFQTDC-SJLPKXTDSA-N 389.500 -0.244 30 20 GBED C=C(C)Cn1c([C@H]2SCCNC2=O)nnc1N1CCN2C(=O)NC[C@@H]2C1 1342316343 RGDSKIVFSBEQRA-VXGBXAGGSA-N 377.474 -0.028 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@@H](NC(=O)CC(=O)NCc3cnn[nH]3)C2)c1 1577712334 IYDPIXFDVHMRRD-KLPPZKSPSA-N 384.400 -0.664 30 20 GBED COCCN(CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1nccnc1C#N 1579800637 OWIBXHWQJDVRPN-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED C#C[C@H](NC(=O)C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@@H]2C(=O)O)[C@H]1CCCO1 1588371008 TWJWWZUDZNVXKS-QQKNPXLJSA-N 378.381 -0.853 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CCO)CCN=c1cc[nH]cc1-c1nn[nH]n1 1588437129 YDXIZFJSVSDNJI-BBRMVZONSA-N 387.444 -0.102 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@]1(C)CN(c2nccnc2-c2nn[nH]n2)CCO1 1588504376 KICKEGBGMGIZOP-DLBZAZTESA-N 388.432 -0.305 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588723096 GVVLSUVHKXBCBF-WDMOLILDSA-N 389.416 -0.665 30 20 GBED CC(C)(C)C#CC(=O)N1CCC[C@@](CO)(N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1589067608 CUUZDAYHZCJCEJ-GOSISDBHSA-N 384.444 -0.107 30 20 GBED COCC#CCN(C)CCOCCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1591360953 IWFMOUVGXKQKJX-UHFFFAOYSA-N 375.433 -0.135 30 20 GBED C#CCOCCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O 1602729265 MEONTLQGJBZOOS-OLZOCXBDSA-N 376.442 -0.371 30 20 GBED COC(=O)c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)N1CCO[C@@H](C#N)C1 1604964228 KJRYWZFPLLMPRC-JTQLQIEISA-N 378.370 -0.434 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC(O)(C(N)=O)CC3)C2=O)cc1 1634918615 KUADKMQGSAQMIP-HNNXBMFYSA-N 385.424 -0.319 30 20 GBED CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722919181 QYQWTVFQLANIHV-WBMJQRKESA-N 383.474 -0.146 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1778968626 UAHJBVKFEWBVDM-ZJNRKIDTSA-N 381.429 -0.502 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=N)N)C2 1779332812 RCRPDDVYBXQMLD-PJIJBLCYSA-N 395.504 -0.444 30 20 GBED COC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1784262647 ZEOCBWHJRYMYFV-GUYCJALGSA-N 384.433 -0.027 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)CC3(O)CCC3)C2)C1 1784820853 XNDQVUJAUZOKGG-FBQMEGEOSA-N 391.468 -0.020 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)C=C)C2 1793358054 NAJRKKGEZZPIKM-WVCIDPQESA-N 379.457 -0.142 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2nc(N)n[nH]2)C3)CCC1 1801985042 XFDKJHGWDYKHMS-JJLQDPRZSA-N 387.444 -0.397 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CSCC(=O)O)CC2 1825674725 NTLKGHUINJXBME-QMMMGPOBSA-N 397.434 -0.039 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc[nH]3)C2)C1 1831391219 KKGCDTSUKDCOID-KSSFIOAISA-N 376.413 -0.482 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1O)CCO2 1833758603 IDWWLGIBHMCMJM-LJQANCHMSA-N 388.376 -0.450 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)c1 1836210154 MGFHBIHDZKMSSL-GOSISDBHSA-N 399.411 -0.752 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)CCC1 1837367486 OEZLCAYSXPBRCA-GOSISDBHSA-N 389.412 -0.987 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCO2 1837735580 SIEKOXLYOQCQPQ-LPHOPBHVSA-N 395.456 -0.993 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(CC)COC1)CCO2 1839775712 QHLCBHSONBUTGI-UZLBHIALSA-N 394.468 -0.092 30 20 GBED N#Cc1ccc(CC(=O)N2CCCC23CN(C(=O)CN2CC(=O)NC2=O)C3)cc1 1841098961 JKZDOFUYWLGZRK-UHFFFAOYSA-N 395.419 -0.144 30 20 GBED CS(=O)(=O)[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 290635260 GRWQCSRIGBCIMB-CQSZACIVSA-N 385.467 -0.128 30 20 GBED O=S(=O)(CC/N=C(/O)N1C[C@H]2COC[C@@H](C1)O2)NC[C@@H]1CCCCO1 328721327 WSTGQJSTPSECAU-MELADBBJSA-N 377.463 -0.512 30 20 GBED C[C@H]1[C@@H](C)N(C)CCN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N 349463406 MQHOOVRSUCKDCJ-KGLIPLIRSA-N 391.519 -0.590 30 20 GBED CN1CC[C@@H](NS(=O)(=O)CCCS(=O)(=O)N[C@@]2(C#N)CC2(C)C)C1=O 349544573 BFBZPLWWYYVVAG-BXUZGUMPSA-N 392.503 -0.862 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](c3nc(N(C)C)no3)C2)C1=O 366516194 KOBPJSCSIYUSFT-LLVKDONJSA-N 390.400 -0.182 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](c3nc(N(C)C)no3)C2)C1=O 366516203 KOBPJSCSIYUSFT-NSHDSACASA-N 390.400 -0.182 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCO[C@H](CN)C3)C2)c(F)c1 418857800 UCCFHVKBNMQSCB-LSDHHAIUSA-N 389.431 -0.032 30 20 GBED CC(C)N(C[C@@H](O)CO)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 421306560 OGCWOBVUWPNDON-CYBMUJFWSA-N 389.387 0.412 30 20 GBED CC(C)CN1C[C@@H]2CN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CCN2C1=O 427347726 QTAIASRNIFHOAO-AWEZNQCLSA-N 387.444 0.340 30 20 GBED COC(=O)C[C@H](C)N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 444530310 XJFWWVZGAMPJTI-ZDUSSCGKSA-N 376.417 -0.169 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N(CCN2CCOCC2)Cc2ccco2)CCO1 452066729 GOAFPRNIIKTOQD-MRXNPFEDSA-N 384.458 -0.117 30 20 GBED C[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@@H](CO)O1 470929822 GALFSEWXRIHKEB-WFASDCNBSA-N 384.396 -0.255 30 20 GBED N#CC1(CS(=O)(=O)N2CCN(CCS(N)(=O)=O)CC2)CCCCC1 476304537 ABLMGBZNCSZZHP-UHFFFAOYSA-N 378.520 -0.304 30 20 GBED C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOCC1 481490468 KFZNAWGTNWTRPK-OLZOCXBDSA-N 394.453 -0.411 30 20 GBED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)cn1 514664142 FKMRQJGELVYWBB-ZDUSSCGKSA-N 394.457 -0.331 30 20 GBED C[C@H]1C(=O)NCCN1S(=O)(=O)CCCCS(=O)(=O)NC(C)(C)C#N 565491527 PSRXRMDWNKIMPI-NSHDSACASA-N 380.492 -0.862 30 20 GBED N#CC1CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 590488989 TVPUSVARJSLTTD-YPMHNXCESA-N 380.382 -0.299 30 20 GBED CC(=O)N[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)C1 594637182 ISSJQCFSEUOHJU-LBPRGKRZSA-N 380.492 -0.862 30 20 GBED CN(C)C(=O)NCCN(C)C(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 595173641 VKUNMBULLCAIAK-UHFFFAOYSA-N 392.485 -0.002 30 20 GBED Cc1c(C(=O)O[C@H](C)C(=O)N(C)CCC#N)cnc2c1c(=O)n(C)c(=O)n2C 748434239 KBSMEYIDDXCACL-LLVKDONJSA-N 387.396 -0.142 30 20 GBED COC(=O)CCNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767630301 YWESIVASMDAJGT-LLVKDONJSA-N 397.409 -0.552 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 777946061 WWYAUAKMWRFHOW-UHFFFAOYSA-N 386.364 -0.161 30 20 GBED C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCn2cnc(C#N)n2)C1=O 803551085 POZMACMERSBZBQ-QGZVFWFLSA-N 385.359 -0.128 30 20 GBED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)OCC(=O)Nc1ccc(C#N)cc1 803864267 QLCWYBCECBOJHO-UHFFFAOYSA-N 390.377 -0.091 30 20 GBED C#CCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 810271561 WHCLPLQZXNEFHJ-UHFFFAOYSA-N 388.449 -0.175 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 831556521 QRNNYGWEYVACLO-OAHLLOKOSA-N 390.465 -0.349 30 20 GBED N#C[C@@H]1CNC[C@H]1NC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 834490048 QZNVVANJDQKONB-DAXOMENPSA-N 382.424 -0.236 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccc(OC)cn2)C[C@@H]1O 970711961 PKXVSOGSOHYHSC-NCOADZHNSA-N 375.425 -0.088 30 20 GBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1n1ccnn1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 990914887 RJLCOXKUPXGJPS-WZSRKYPNSA-N 381.436 -0.017 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C(C)(C)C)nn2)C[C@H]1O 1025712439 KZKXTBYWYQPVDN-GBOPCIDUSA-N 377.445 -0.074 30 20 GBED Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(C#N)cn2)c(=O)n(C)c1=O 1055101307 HIEOZYCIVXDCOX-XBFCOCLRSA-N 381.396 -0.715 30 20 GBED Cn1c(=O)ccn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncccc2C#N)c1=O 1055234886 KCQNOFBHBQLGTR-ILXRZTDVSA-N 380.408 -0.260 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC(N)=O)CC1 1070372832 JBVZEWGICKXXPD-JEWRLFTDSA-N 392.500 -0.072 30 20 GBED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 1092921598 BEFNQGXKZDZRRB-RNJOBUHISA-N 378.458 -0.098 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CN(C)CCO1 1110419755 YJUXAIGEKIVUKF-WCXIOVBPSA-N 377.489 -0.199 30 20 GBED CN1C(=O)CC[C@@H](NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C1=O 1118179967 KHNGRWDRAVXBMZ-CQSZACIVSA-N 383.408 -0.530 30 20 GBED Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)CCn2cc(C#N)c(O)nc2=O)cn1 1154158186 NPGBSVKPRDLXKK-CEXHIMGSSA-N 390.425 -0.724 30 20 GBED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 1324851189 LVPKUZKKOWSHFM-HNNXBMFYSA-N 381.392 -0.165 30 20 GBED C#CCCn1nnnc1N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1335988669 LJMIDGDTCCDYIN-UHFFFAOYSA-N 375.458 -0.147 30 20 GBED CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)Nc2cccc(OCC#N)c2)C1 1341067694 SBHLXCLNPLMONH-GFCCVEGCSA-N 380.426 -0.075 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NCc1ccc2c(c1)OCO2 1344786200 YIRPXEKLFJTXMK-NXVVXOECSA-N 386.364 -0.326 30 20 GBED C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCOC2)CC1 1345650144 IUXKTHYWQJVVLU-LSDHHAIUSA-N 396.517 -0.320 30 20 GBED N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H]2COCCO2)CCO1 1505325264 QVCGPMGPBRHWIK-UONOGXRCSA-N 376.417 -0.455 30 20 GBED C=CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)c2[nH]nnc2C)CC1 1575104725 VDNHWYLSARHHBD-UHFFFAOYSA-N 387.448 -0.360 30 20 GBED C#CCNC(=O)CN1CCC2(CC1)C[C@@H]2NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588354579 QPKPNUUZPSPBQU-AWEZNQCLSA-N 382.428 -0.472 30 20 GBED C#Cc1ccc(C(=O)NC[C@H](CO)Nc2ncc(-c3nn[nH]n3)cc2F)nc1 1588367217 HKIVABCDFRTOKZ-GFCCVEGCSA-N 382.359 -0.020 30 20 GBED C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cc1 1588371859 XGAAAOCQPCLFMS-UHFFFAOYSA-N 391.391 -0.207 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[nH]n2)nn1 1588499461 IRILISPLGYBYSC-MEDUHNTESA-N 376.421 -0.761 30 20 GBED C=CCOCCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O 1588682321 MDMYPPHUOGVVJS-CHWSQXEVSA-N 388.432 -0.305 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(=O)O)cc2)c(=O)n1C1CC1 1598630892 UCXSWJQCCACCMO-UHFFFAOYSA-N 399.428 -0.043 30 20 GBED C#Cc1ccc(C(=O)N2CC(O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cn1 1602735870 UPLIOKZAOITRDX-UHFFFAOYSA-N 392.379 -0.812 30 20 GBED CCO[C@@H]1C[C@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)[C@]12CCCO2 1686065443 YONOSWHTRMZFSN-OGHNNQOOSA-N 377.401 -0.154 30 20 GBED Cn1cc(S(=O)(=O)NN=C2CCc3cccc(C(=O)O)c32)c(=O)n(C)c1=O 1776052167 MDLKPWAGDZOBFX-UHFFFAOYSA-N 392.393 -0.589 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1778980715 ZLFXSMTYTHVVTQ-AUUYWEPGSA-N 390.440 -0.214 30 20 GBED CNC(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779061315 VZVIRLRSFBTHSQ-FQEVSTJZSA-N 391.468 -0.349 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cccnn4n3)[C@H]2C1 1789142007 AVOMGMFQSYZDJW-NOLJZWGESA-N 397.391 -0.589 30 20 GBED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21)[C@@H]1CCCS1(=O)=O 1790745441 RBLLUNKYVMCQQL-QAETUUGQSA-N 394.493 -0.043 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(S(C)(=O)=O)c3)C[C@@H]21 1790788929 SSXWUIFGKAZHSP-RCBQFDQVSA-N 391.449 -0.288 30 20 GBED Cc1nccn1[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791707480 DVUKTSAXAVTCJM-TUUVXOQKSA-N 388.424 -0.180 30 20 GBED NC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1792283333 ZKLPSKCTPKTTFN-QEBSUHJSSA-N 394.476 -0.894 30 20 GBED CN(C)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1795437275 XMKKNJGDUPUHMX-VDLXVDHYSA-N 379.505 -0.001 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798691539 VAVBVFPJLZVFDW-KQORHLAWSA-N 397.435 -0.052 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CNC(=O)C1 1800525382 HLIOHVFMUJOJMH-VWPFQQQWSA-N 393.440 -0.779 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831263576 DAAJCQYAANYLAV-KSSFIOAISA-N 383.445 -0.830 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4nccn4)CCO3)C2)c1 1839236995 QCXHKUBARWVQDP-SFHVURJKSA-N 399.411 -0.752 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839719509 AEEISSYHNCZSMV-HNAYVOBHSA-N 390.440 -0.553 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)nn3C)C2)C1 1840840211 FLKBOFQKOMVWPV-IBGZPJMESA-N 390.440 -0.088 30 20 GBED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841894878 LUSCPMLOMQYJDF-GFCCVEGCSA-N 375.516 -0.762 30 20 GBED N#CCn1cc(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cn1 139524412 DRNWKPXJQYFWGC-UHFFFAOYSA-N 388.409 -0.221 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)NCCN3C(=O)CNC3=O)C2=O)cc1 277129427 FVWHUXXLNALPPO-AWEZNQCLSA-N 384.396 -0.490 30 20 GBED COCCN1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1=O 283040028 PGNDGOMZLQZLBC-UHFFFAOYSA-N 397.395 -0.589 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)N[C@@H](C)CC)CC2)C1=O 299480435 CLPAGYXDDPEIQQ-ZDUSSCGKSA-N 393.444 -0.978 30 20 GBED CNS(=O)(=O)C1CCN(/C(O)=N/[C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 329805030 MNZXAACYYFOTLS-AWEZNQCLSA-N 398.489 -0.157 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[S@](=O)CC[C@@H]1C 349462218 SJGSCTVGRKVFTQ-UTWWPYJBSA-N 399.560 -0.229 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CN(C)C[C@@H]2C1 349496118 PEFMXEKMMZSOHH-MCIONIFRSA-N 378.520 -0.627 30 20 GBED COC(=O)[C@H]1CN(C)CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 411757591 LPTLPAHWINNFSJ-ZDUSSCGKSA-N 390.444 0.011 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cc(C(N)=O)no1 426777971 SGGVNFHYPZKDPE-VIFPVBQESA-N 377.382 -0.372 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CS(=O)(=O)CCO3)CC2)c1C#N 472084922 KKNSOBDKNZJHOX-CYBMUJFWSA-N 396.473 -0.755 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccn(C)c3=O)CC2)c1C#N 472889966 GBJLNVKEGKCQAH-UHFFFAOYSA-N 383.412 -0.414 30 20 GBED CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@H]1CC(=O)NC1=O 518216410 MTTRZGZFRCLCSR-LBPRGKRZSA-N 378.410 -0.326 30 20 GBED Cn1c(=O)c2c(ncn2CCN2CCN(c3cnccc3C#N)CC2)n(C)c1=O 572194072 SSHUACQZNLETMI-UHFFFAOYSA-N 394.439 -0.477 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 579494320 KQSQBTSUSPCWNQ-AAVRWANBSA-N 389.499 -0.187 30 20 GBED CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2C(N)=O)c1 600762516 YEVFBBJXDNTFRP-ZDUSSCGKSA-N 386.455 -0.531 30 20 GBED C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)CCNS(=O)(=O)CC)c1 756159114 FVGNZRMYZAFONI-UHFFFAOYSA-N 387.483 -0.193 30 20 GBED Cn1c(C=NNc2ccccc2S(N)(=O)=O)nc2c1c(O)nc(=O)n2C 773120956 NVJKMCRBDSEUMQ-UHFFFAOYSA-N 377.386 -0.534 30 20 GBED CC(C)NC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 916946828 MLYVFODUEIPZCD-AWEZNQCLSA-N 392.437 -0.346 30 20 GBED NC(=O)NC[C@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 918591874 FEEYINVLRYQAHL-LLVKDONJSA-N 379.442 -0.368 30 20 GBED C=CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1 1025761584 NOACKDOCWDJUCH-DFMBRWPFSA-N 375.429 -0.277 30 20 GBED N#Cc1nccnc1N1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1039673744 ZTYQMBNGQMTARN-DBMJBKLQSA-N 396.451 -0.073 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1117315209 VGBKRFFLODDOMO-ISLYRVAYSA-N 396.403 -0.043 30 20 GBED CCS(=O)(=O)N(C)C1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1144940981 JZGGBMRJUNKGNN-UHFFFAOYSA-N 383.430 -0.907 30 20 GBED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@]1(O)CCS(=O)(=O)C1 1158214161 JOXYEKJQRHSXGE-QGZVFWFLSA-N 391.453 -0.184 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](n2cncn2)C1 1261565825 NNQBPOLRRIYZHL-GFCCVEGCSA-N 376.464 -0.970 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)CC1 1323138642 OXHSVGHQJYCWDZ-HNNXBMFYSA-N 393.440 -0.987 30 20 GBED C=CCN(C(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1)[C@H]1CCS(=O)(=O)C1 1325025355 GWQRRDDFGOTLNL-JTQLQIEISA-N 395.441 -0.504 30 20 GBED N#Cc1ccccc1N1CCCN(C(=O)C(=O)NCC(=O)N2CCOCC2)CC1 1328759983 FRMSLJYGFIMRKW-UHFFFAOYSA-N 399.451 -0.428 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N(CCN2CCOCC2)CC2CC2)CCN1C1CC1 1329457025 FZNQYYWQDVDVEY-SFHVURJKSA-N 389.500 -0.244 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3ncccn3)C2=O)cc1 1336156373 LTCRWIAEYYXROK-HNNXBMFYSA-N 378.392 -0.118 30 20 GBED CN(C)S(=O)(=O)N1CCN(c2nnc(-c3cnn(CCC#N)c3)n2C)CC1 1345754349 ANJYYYOWQXVOIE-UHFFFAOYSA-N 393.477 -0.479 30 20 GBED C[C@H]1C[C@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)C(=O)N1c1cnn(C)c1 1346987914 NPGIKWSWBAGJSN-WFASDCNBSA-N 387.444 -0.866 30 20 GBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1O 1573335939 GDAKUAMRJHUOQC-HONMWMINSA-N 389.416 -0.523 30 20 GBED CO[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1579866062 XIZRROPPMCXSAM-VXGBXAGGSA-N 380.372 -0.510 30 20 GBED C=CCCO[C@H](C)C(=O)NC[C@]1(O)CCN(c2cncc(-c3nn[nH]n3)n2)C1 1588608386 LHJXQGYLLLTMFO-SJKOYZFVSA-N 388.432 -0.305 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@]1(CC(=O)O)CCOC1 1593334292 NHEDQOBESHUDMF-BDJLRTHQSA-N 381.410 -0.025 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H](O)CNc2nc(C)cc(-c3nn[nH]n3)n2)cn1 1602736996 KPBGIHDTYDOJJF-CYBMUJFWSA-N 379.384 -0.456 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nn[nH]n1 1602795896 VXFXVKPHUWOZIU-BZNIZROVSA-N 376.421 -0.761 30 20 GBED N#CCC(=O)N1CCN(S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 1606345034 DUXREFYBRCHNQC-UHFFFAOYSA-N 375.414 -0.246 30 20 GBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H](O)C2)cn1 1606368644 ACQPBKDREBXEMT-UKRRQHHQSA-N 379.384 -0.169 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 1783488725 SUBSSTCOCQHSNC-YLRDJVGTSA-N 377.441 -0.146 30 20 GBED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)n1ccccc1=O 1783563800 AEHGKEDQRQCBII-AUUYWEPGSA-N 387.392 -0.673 30 20 GBED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1783681885 NCENMZDVWONWFI-JYJNAYRXSA-N 378.473 -0.152 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)S)C2)C1 1783892207 BHKNNHVCBPVYKR-RWSFTLGLSA-N 375.447 -0.801 30 20 GBED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1 1788552493 QLCJESDVGHTYQB-TZQJONAQSA-N 382.486 -0.204 30 20 GBED COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2 1793365137 MSWHIKQBMGOMEK-DYNIEEOBSA-N 376.500 -0.200 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc[nH]n1 1800286392 VGBODZWDGHUQIF-XOIINTDNSA-N 388.472 -0.176 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835115001 VEEXEDOFLHJRRH-JOQOYGCGSA-N 399.513 -0.324 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnnc1O)CCO2 1838369375 JODDGXFXNDVGPP-QGZVFWFLSA-N 375.385 -0.444 30 20 GBED COC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838774458 SWHKXILZSJJBHA-UHFFFAOYSA-N 395.412 -0.571 30 20 GBED CCNC(=O)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 22621433 XVUHLBIJGXIAPM-JTQLQIEISA-N 382.398 -0.386 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 272064447 UMEQLQZFBDUTLG-UHFFFAOYSA-N 393.831 -0.367 30 20 GBED CC(C)(C)OC(=O)N1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)[C@H](C#N)C1 281450066 FDBCAVXELJXGNZ-LLVKDONJSA-N 398.445 -0.498 30 20 GBED O=C(CN1CCOCC1)N1CCN(/C(O)=N/[C@@H]2CC(=O)N(C3CC3)C2)CC1 330268204 IMUWXQNPWMBUIK-CQSZACIVSA-N 379.461 -0.860 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](F)C2)n1 349503820 LMJIUWJXKPBAFJ-LLVKDONJSA-N 379.439 -0.203 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC(CO)C2)ncc1C#N 349513416 UAQZKBXFUYTZGP-UHFFFAOYSA-N 388.471 -0.353 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3CCO[C@@H](CN)C3)CC2)c1C#N 423699597 QERBUGSGGPSGPW-LBPRGKRZSA-N 378.458 -0.842 30 20 GBED COC(=O)CN(CC#N)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 471153433 GECMDHNPLBSVNP-UHFFFAOYSA-N 386.416 -0.990 30 20 GBED N#Cc1ccnc(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 498355604 QYYRBTJZFAMJNE-UHFFFAOYSA-N 379.442 -0.276 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3c(C)nn(C)c3C)CC2)c1C#N 550849344 ILMJQLMARNHXIF-UHFFFAOYSA-N 398.471 -0.084 30 20 GBED C[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 573863482 RHQGDBQLHKBXRB-JTQLQIEISA-N 395.484 -0.800 30 20 GBED CCOC(=O)c1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n[nH]1 578056904 BTIFQBRUYOSTBJ-UHFFFAOYSA-N 377.382 0.375 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)C[C@]1(C)CO 595961455 COZMMFNOAVJZKE-MGPQQGTHSA-N 381.520 -0.170 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@H](C(=O)O)C1CCC1 596130553 RJHXNLCCYUPCET-LBPRGKRZSA-N 376.417 -0.128 30 20 GBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(C#N)cc1 611952381 YLDSTHHCSFFHSJ-CQSZACIVSA-N 385.467 -0.377 30 20 GBED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 737704686 IRZBCJITRBGXIW-UHFFFAOYSA-N 398.362 -0.130 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1 743336046 AVZBKCCNPWTLMI-QGZVFWFLSA-N 396.447 -0.601 30 20 GBED COC(=O)C[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 752748961 NRIMLSITTRXFMM-GFCCVEGCSA-N 395.437 -0.094 30 20 GBED CC(=O)Nc1ccccc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 755806209 ZTRRAZKSALHTHJ-UHFFFAOYSA-N 379.398 -0.645 30 20 GBED C#CCN(C)CCCNC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 818599558 XMVUHBVRRNXVDS-UHFFFAOYSA-N 396.513 -0.050 30 20 GBED C[C@@]1(c2ccc(C(=O)Nc3nc(C#N)c(-c4nn[nH]n4)[nH]3)cc2)NC(=O)NC1=O 820628787 NWQLEULJLPNUPI-INIZCTEOSA-N 392.339 -0.232 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cccnc2OCC(F)F)CC1 831565094 LUESJWIZHKWCCL-UHFFFAOYSA-N 388.396 -0.049 30 20 GBED CN(C)c1noc(CS(=O)(=O)CCS(=O)(=O)c2ccc(C#N)cn2)n1 853074278 VZXCBRVAYBSUPH-UHFFFAOYSA-N 385.427 -0.209 30 20 GBED CC(C)(C)OC(=O)N1CCOC[C@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 859338981 ZGGKFNHSFWRROR-CHWSQXEVSA-N 390.462 -0.319 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cnc3n2CCOC3)[C@H](OC)C1 942530744 YHGMYAKJACZGEV-LUYZLQTOSA-N 390.440 -0.040 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)CCc3nc[nH]n3)C[C@@H]21 960980394 GKUBPHBCTXHNGS-CBBWQLFWSA-N 375.429 -0.233 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C(=O)N2CCC(C)CC2)C1 963222819 VIPOCJPQOVMPBN-YVSFHVDLSA-N 393.484 -0.086 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cncc(OC)n2)C[C@@H]1O 964489268 COKRBCBVQMSZOB-AEIGPULVSA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(N)=O)CC1 977229036 PLMIXKFQPPHOEP-NYTXWWLZSA-N 392.456 -0.935 30 20 GBED C[C@]12CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C2 992809003 NFNWWOSPMJFYHT-OPRWKUAOSA-N 385.424 -0.160 30 20 GBED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2cn(CC(N)=O)nn2)c[nH]1 997365352 SFLGKCYXAFHDOZ-DYEKYZERSA-N 382.384 -0.861 30 20 GBED COc1ccc(C#N)cc1CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1083775267 PCDXZDLJKFSQAA-YQFWSFKMSA-N 388.424 -0.739 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(C)(C)NC(=O)NCCC 1111455727 OBBPTCIUWWOTEE-KFWWJZLASA-N 377.489 -0.055 30 20 GBED C=CCN(C(=O)c1cnc2c(c1)c(O)nc(=O)n2C)[C@@H]1CCS(=O)(=O)C1 1115888505 VUKKQCZFQPCOPG-LLVKDONJSA-N 378.410 -0.151 30 20 GBED Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cn1 1118250169 NZUOFRMKFQJLCQ-DAYGRLMNSA-N 375.429 -0.288 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H](N4CCNCC4)C3)CC2)cn1 1261891469 IIMQAJHQFONVHW-GOSISDBHSA-N 397.483 -0.892 30 20 GBED C[C@H](OC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)N(C)CCC#N 1321601212 NFHHUZSIROGUCB-XQQFMLRXSA-N 385.442 -0.674 30 20 GBED COC(=O)[C@H](O)C1CCN(C(=O)C(=O)NCc2ccc(OCC#N)cc2)CC1 1322721966 GUQVNWHYXGNOOM-MRXNPFEDSA-N 389.408 -0.022 30 20 GBED COCCn1ncc2ccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)cc21 1323045562 NJKPQKIGDJFDMI-UHFFFAOYSA-N 382.384 -0.099 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 1326489357 AIVDLFJFSFRDPM-GOSISDBHSA-N 393.532 -0.724 30 20 GBED C=CCN(C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@H](C)COC 1327763548 AGEZYPWZEQBWEJ-HZPDHXFCSA-N 380.489 -0.199 30 20 GBED C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C1 1328304077 ZQOPQPBKWHWEBL-IBGZPJMESA-N 384.440 -0.019 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1328647476 JVNVGBLSKUNZFU-BPLDGKMQSA-N 377.422 -0.161 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCN1Cc2ccccc2OCC1=O)[C@@H]1CCCO1 1333063387 CERCWAMPAZRMRK-WBVHZDCISA-N 385.420 -0.179 30 20 GBED C=CCn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1C1(O)CCOCC1 1339008015 FRJLGSSKMHKZQX-UHFFFAOYSA-N 390.488 -0.137 30 20 GBED C=C[C@](C)(O)CC(=O)NCC1[C@H]2CN(C(=O)CCOCc3cnn[nH]3)C[C@H]12 1575073158 NUXRUOHGUZUSBL-RKVPGOIHSA-N 377.445 -0.141 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](OC)C1 1588356100 SRQQQIKFXLZZRU-LERXQTSPSA-N 387.400 -0.811 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588404303 HCVSHKKPJNTMRL-HZMBPMFUSA-N 388.432 -0.100 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)O)c2ccnn2C)c1 1588431794 XVGDTTGTQHFPSQ-AWEZNQCLSA-N 376.394 -0.113 30 20 GBED N#CCNC(=O)CNC(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1592677355 CLRZQQKJLYOWGN-UHFFFAOYSA-N 384.404 -0.831 30 20 GBED N#Cc1cccc([C@H](C(=O)O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 1601117276 ANYQLZPGWGUJDU-MRXNPFEDSA-N 394.453 -0.121 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O 1602727484 OJMXPBUHMBWHDV-HFBAOOFYSA-N 388.403 -0.295 30 20 GBED CO[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1605148914 KGNBOLZSBWPAIY-CHWSQXEVSA-N 380.372 -0.510 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC2(C(=O)O)CCCCC2)c1=O 1609470570 ZVEQIKNQOZOYOU-UHFFFAOYSA-N 392.412 -0.553 30 20 GBED CNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1618781059 YXGKQNUJWUJCNV-CQSZACIVSA-N 388.476 -0.271 30 20 GBED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1 1781316831 CZNLMRASZIWPJO-LSCADSNKSA-N 382.461 -0.703 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3cccnn3n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n1cnnn1 1803083903 DYKWXRLVPDQFEV-DPMPDIIESA-N 387.444 -0.269 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830055615 BILTZYAJCHGPHJ-ACJLOTCBSA-N 395.460 -0.561 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1830061708 SNMOQXRZPUOHCF-SFHVURJKSA-N 375.429 -0.042 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831563771 SYQMZXGQDPDCIZ-SJCJKPOMSA-N 380.401 -0.899 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C)CCO2)C1 1834940935 PMTXAYMGTVIIIT-KXBFYZLASA-N 383.489 -0.423 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnccn4)C3)C2)CC1 1835338906 YIIDAXOETYTJPP-LJQANCHMSA-N 385.424 -0.221 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3)C2)C1 1840041310 DTNWLRGMRVSSHL-HXUWFJFHSA-N 386.404 -0.227 30 20 GBED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1840294656 MSTXQJCNDJZUCM-ZWOKBUDYSA-N 393.484 -0.641 30 20 GBED CS(=O)(=O)CC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844300156 OPTNLVRJDFUPHD-ZUZCKIMGSA-N 387.458 -0.237 30 20 GBED CC/N=C(/NC[C@@H]1CN(C)CCN1C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 88756563 JCULUIPKQKVRCY-SJORKVTESA-N 380.537 -0.479 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)cc1 276033163 OPVUQTYTQUUXLS-LBPRGKRZSA-N 394.453 -0.222 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](CO)[C@H]1CCOC1 280575690 WKKAFFUSVNZEIZ-QEJZJMRPSA-N 381.454 -0.014 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)NCCOC)c[nH]2)C1=O 281868999 ZICOZZFYYGSUQQ-CQSZACIVSA-N 384.458 -0.202 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H](NC(=O)OCC)C2)C1=O 297787335 JGYLHGKMLLGEBC-UONOGXRCSA-N 380.445 -0.031 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(CS(C)(=O)=O)cc2)C1=O 299512962 MZEJMDDFBLTPEL-UHFFFAOYSA-N 393.421 -0.176 30 20 GBED CN1CCN(c2ccc(C/N=C(/O)N3CC[C@@H](S(N)(=O)=O)C3)cn2)CC1 330011526 JBEWLWUPFIQXCL-CQSZACIVSA-N 382.490 -0.390 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCS[C@@H]2COCC[C@@H]21 349486265 BYOIVVMSZXGVRP-QWHCGFSZSA-N 397.544 -0.302 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C[C@H]1C 349504249 MEJKWTUGEZVPJJ-VXGBXAGGSA-N 380.492 -0.910 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C1(C)C 349525323 RCWPWVQRSRRSCY-LLVKDONJSA-N 380.492 -0.910 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N[C@]2(C#N)CC2(C)C)CC1 349535338 JMNGMXKWRBGHLG-HNNXBMFYSA-N 392.547 -0.045 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCCS(=O)(=O)N[C@H]1CCOC1 349564632 KOHKZSUYZXLPOV-QWHCGFSZSA-N 397.544 -0.254 30 20 GBED CCOC(=O)[C@@](C)(O)CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 478575634 LWWZUZJUEXQLPK-INIZCTEOSA-N 383.426 -0.159 30 20 GBED N#C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCO1 517306489 KMXCLDOLLOMNBJ-ZDUSSCGKSA-N 378.410 -0.828 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCOCC 522275541 KEAPSKIWHBVIDY-UHFFFAOYSA-N 387.465 -0.515 30 20 GBED CNS(=O)(=O)c1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(C)o1 530270467 KMMJRGYDPFRLDX-UHFFFAOYSA-N 393.381 -0.673 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)c1 536640218 IKEXSVQGTMYJBA-CYBMUJFWSA-N 388.467 -0.306 30 20 GBED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N[C@H](C)C(=O)N1CCCCC1 564592851 DTXWKNQXADLSKJ-LLVKDONJSA-N 385.446 -0.539 30 20 GBED CCC(CC)(NC(=O)C1CN(C(=O)C(=O)Nc2cccc(C#N)n2)C1)C(N)=O 592291419 WJEHWFANSLGKLB-UHFFFAOYSA-N 386.412 -0.490 30 20 GBED COc1ccc(C(=O)N(CC#N)CC(=O)O)cc1S(=O)(=O)N1CCOCC1 737920448 FQZUQCPRVQDZPI-UHFFFAOYSA-N 397.409 -0.234 30 20 GBED CCN(CC)CC(=O)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 746217899 PWDRHYTYJOGXBH-HNENSFHCSA-N 391.472 -0.085 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COCc2ccccc2F)CC1 761032863 OTFQRBLTIWBBQY-MRXNPFEDSA-N 385.461 -0.212 30 20 GBED C=CCS(=O)(=O)CCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 783618688 ULFWPXGTIFCOLI-UHFFFAOYSA-N 385.467 -0.168 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c1 808158506 YREHSNKZPGYBRW-HZPDHXFCSA-N 377.466 -0.121 30 20 GBED COC[C@@]1(C(=O)O)CCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 818307043 OEOHOMZRBZQUPI-MRXNPFEDSA-N 381.410 -0.183 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 826977819 OCZDVXLHVMYHPK-MRXNPFEDSA-N 386.456 -0.149 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(N3CCOCC3)nc2)CC1 831556068 GAFBOAJPIYSUTM-UHFFFAOYSA-N 393.469 -0.856 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(OC(F)F)n(C)n2)CC1 831569020 WCMXOLICDSPEIS-UHFFFAOYSA-N 377.373 -0.753 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C(=O)Nc2c(F)cccc2F)CC1 831585456 VNSTYNNYSWWBQZ-UHFFFAOYSA-N 386.380 -0.485 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCN(CC(C)C)C2)CC1 893611295 HKKWSMSCAHJHKJ-MRXNPFEDSA-N 385.534 -0.241 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)C3(C(N)=O)CC3)C[C@@H]21 960458805 QOXYWTWFDJWZGN-CBBWQLFWSA-N 377.441 -0.329 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cncc(OC)n2)C[C@H]1O 1023960914 ZZQNDKOSPXCDRX-NGFQHRJXSA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CCN(C(=O)CC(N)=O)CC2)[C@H]2COC[C@H]21 1026110670 ZEZBNAPVTUARDX-QXSJWSMHSA-N 391.468 -0.081 30 20 GBED Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)cn2)c(=O)n(C)c1=O 1055101677 JMSFAHMZSUTUQA-SNPRPXQTSA-N 380.408 -0.110 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCc2cnnn2C)C1 1070293945 CONSCPSLTJWWGC-YVSFHVDLSA-N 386.460 -0.071 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CC[C@@H](n3cc(C(=O)OC)nn3)C2)CC1 1117275818 IOEPRAWNYHPCCT-CQSZACIVSA-N 390.444 -0.395 30 20 GBED CCOC(=O)[C@@H]1CNCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1261491747 FAQRQCZFHUPDQL-LBPRGKRZSA-N 380.426 -0.911 30 20 GBED N#Cc1cccc(CNC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 1321491517 CDRQJQXLXJIDRA-UHFFFAOYSA-N 397.435 -0.532 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCO[C@H](C(F)(F)F)C1 1322696132 UBAMCAHHUPGDJK-OQDIYGIBSA-N 390.318 -0.581 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC[C@](O)(c2ccc(F)cc2)C1 1323996485 BLEKZQGIAGDVBR-QGZVFWFLSA-N 384.429 -0.037 30 20 GBED CN(C)S(=O)(=O)C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cn1)C(F)(F)F 1324968810 MSZLJJLYSZRNLK-SECBINFHSA-N 393.347 -0.170 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCCN2CCC[C@H]2C1 1326907283 RSEKTOCAMYIYIT-KBPBESRZSA-N 378.520 -0.292 30 20 GBED N#C[C@@H](C(=O)c1cccc(N2CCNC2=O)c1)C(=O)N1CCS(=O)(=O)CC1 1341786401 HROGRUZYIOKNTD-AWEZNQCLSA-N 390.421 -0.204 30 20 GBED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NC2CCN(S(C)(=O)=O)CC2)c1 1559355659 JQOASKAKEZDMLH-UHFFFAOYSA-N 396.425 -0.953 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H](O)[C@@H](CO)C3)CC2)cc1 1570214378 OKKGAVDXEBXGFB-NVXWUHKLSA-N 393.465 -0.229 30 20 GBED C#Cc1ccc(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)nc1 1573288151 PDGBYAMMELXVPJ-LBPRGKRZSA-N 380.368 -0.908 30 20 GBED C=CCOC[C@H](NC(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)C(=O)O 1573368626 IAXLDXLVUDYCKS-NWDGAFQWSA-N 385.417 -0.164 30 20 GBED C[C@@]1(C#N)CN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CCO1 1575525490 OMAZHTJBRNRUML-OAHLLOKOSA-N 391.413 -0.714 30 20 GBED N#Cc1cncc(N2CCO[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 1581883692 SANHZCRKPMUFBG-GFCCVEGCSA-N 380.372 -0.508 30 20 GBED C#C[C@H]1COCCN1C(=O)C(=O)N1CCN(c2ccc(C(=O)O)s2)CC1 1588383471 AQIWWIBBKCOTQV-LBPRGKRZSA-N 377.422 -0.045 30 20 GBED C=CCOCCCC(=O)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@H]1OC 1588681479 CYXNUYJSCFSPGQ-CHWSQXEVSA-N 388.432 -0.041 30 20 GBED C=CCn1cc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 1588710901 GEURBXLOXATKBM-LLVKDONJSA-N 382.388 -0.383 30 20 GBED CC(C)C(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1598150873 VTUGKHRHVKMVBO-AWEZNQCLSA-N 389.460 -0.099 30 20 GBED N#Cc1cn(CC(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(=O)nc1O 1624598856 WJCRKVQFFQRFOJ-AWEZNQCLSA-N 381.392 -0.015 30 20 GBED CC(C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1741690380 QIODZJFWISASSD-STQMWFEESA-N 375.433 -0.127 30 20 GBED CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CCC#N)C(=O)O)cc1C 1777099255 KSUFGCKWHGJJIA-NSHDSACASA-N 375.428 -0.062 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1778949714 DDTTUOHHVXQMQV-QMTMVMCOSA-N 394.472 -0.438 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1781271972 UWOVYNZWANTYFJ-KUHUBIRLSA-N 393.440 -0.538 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1783116875 QQVYRZDDOYNMRE-IFXJQAMLSA-N 375.425 -0.047 30 20 GBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NS(=O)(=O)CC)CCO2 1785420736 GWCVPPYNFNKUMP-PBHICJAKSA-N 385.486 -0.443 30 20 GBED C[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788660994 TWNCHPSXYMNATQ-ZWVQEYDXSA-N 383.445 -0.124 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3cnccn3)[C@H]2C1 1788706326 YBNONEKYRVXCSX-YXWQFLTLSA-N 385.424 -0.792 30 20 GBED Cn1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)n1 1794591859 URHHDBNRGPBJMW-VCRCSVMGSA-N 389.460 -0.510 30 20 GBED Cn1nc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1O 1812875254 SWSXLXMCTTYPIM-ACJLOTCBSA-N 397.391 -0.072 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CNC(=O)OC)C3)C2)C1 1829674018 ZTJZBFFBBBVCPJ-SFHVURJKSA-N 381.429 -0.235 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833827406 DRCDVNNNYLYJKU-SFHVURJKSA-N 389.412 -0.198 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H](N)c1cccnc1)CCO2 1835829186 WBCBACHLCUUCSA-LPHOPBHVSA-N 387.440 -0.158 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1837400317 CWDSTAGGVQLMJP-YZVOILCLSA-N 397.472 -0.850 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(C)=O)CCO2)C1 1839874229 URYCDIFMZJTELI-KHYOSLBOSA-N 397.472 -0.442 30 20 GBED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)nn1C 1840161823 BTNHTENHXBDLCS-YVEFUNNKSA-N 398.485 -0.183 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1840166150 VSHIWETVWPSNKS-SUMWQHHRSA-N 396.469 -0.370 30 20 GBED C[C@H](S)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1846367598 DDFYXWUSMOTLLY-VIFPVBQESA-N 384.483 -0.027 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[C@@H](C(N)=O)O3)CC2)cc1 276521478 ZVGSUQNDFROEHP-GJZGRUSLSA-N 392.437 -0.576 30 20 GBED CS(=O)(=O)N1CC[C@@H](C/N=C(/O)N2CCN(CC(F)(F)F)C(=O)C2)C1 329225028 FWLPWNBNQUUPQU-JTQLQIEISA-N 386.396 -0.112 30 20 GBED C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N 349496285 GVOXYIIGWUFVAD-LBPRGKRZSA-N 380.517 -0.177 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)N(C)[C@@H](C)C#N)CC(=O)N1 349602648 QMVZUYVLFBGLSM-RYUDHWBXSA-N 380.492 -0.910 30 20 GBED N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)N2CCSCC2)n1 360079541 OESUNEQWKZFAIY-ZDUSSCGKSA-N 390.469 0.302 30 20 GBED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H](N)CCCC#N)CC2)C[C@@H](C)O1 424094508 LUHNBEGXLQSAOA-RBSFLKMASA-N 387.506 -0.494 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)c1C#N 472276189 LWJHJSLNXKWLKW-UHFFFAOYSA-N 395.489 -0.836 30 20 GBED CC[C@@H](C)[C@@H](NC(=O)c1cnn(C)c1C#N)C(=O)NCCN1CCOCC1 475921756 RVXZKKREWWNXRX-CZUORRHYSA-N 376.461 -0.115 30 20 GBED N#Cc1ccc(NCC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 508399997 QLUXHDKPCIKXEK-JKSUJKDBSA-N 378.454 -0.728 30 20 GBED CC1=NNC(=O)[C@@H]1CCNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 524409778 NOLRRWDKVWBIFI-CQSZACIVSA-N 377.426 -0.193 30 20 GBED N#CCCC[C@@H](N)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 575284231 HSLKAVBDRSJHGU-OAHLLOKOSA-N 394.501 -0.329 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)C1=O 590994025 BEYLYDUAARAXIR-KBPBESRZSA-N 395.456 -0.199 30 20 GBED CN(C)C[C@](C)(C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 593155752 YXHOLIZZIMMASX-INIZCTEOSA-N 383.474 -0.380 30 20 GBED C[C@H](O)CN(CCO)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 594440635 HEZRJUJBICUNPI-LBPRGKRZSA-N 391.471 -0.806 30 20 GBED COCc1n[nH]c(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n1 598049204 GSYIDJXLTCNFGE-SNVBAGLBSA-N 378.414 -0.194 30 20 GBED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2)c(=O)n1CC(N)=O 608912515 YNDVUHKYBDKHIH-UHFFFAOYSA-N 382.445 -0.479 30 20 GBED COC(=O)CN(CC#N)C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 737859569 CCARJHIYJKTUEU-SFHVURJKSA-N 388.380 -0.013 30 20 GBED C[C@H](CC(=O)N[C@@H]1CCN(C(N)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742668981 HDTURSPXRDCZHF-GHMZBOCLSA-N 379.442 -0.227 30 20 GBED CCOC(=O)CON=C(C(=O)N1CC[C@H](N2CCCC2=O)C1)c1cc[nH]n1 772642209 UZBTXLXXVXOQJJ-LBPRGKRZSA-N 377.401 -0.083 30 20 GBED Nc1n[nH]c(C2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 819939095 HCPODDMZTMPTEH-UHFFFAOYSA-N 389.441 -0.168 30 20 GBED CN([C@H]1CC(C)(C)OC1=O)S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 848957186 GEYPSFMNIIRKDN-NSHDSACASA-N 393.487 -0.292 30 20 GBED CCOC(=O)CON=C(C(=O)N1CC(CN2CCN(C)CC2)C1)c1cc[nH]n1 854644362 MNFFHBYIPQODJR-UHFFFAOYSA-N 392.460 -0.601 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)NCCOC)c1 913343797 WGAHCBXTPTXAQX-UHFFFAOYSA-N 399.425 -0.220 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1C(=O)CCC1=O 960375786 IJLGGXWNWFSZTD-CBBWQLFWSA-N 391.424 -0.835 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2c(C)csc2=O)C[C@@H]1O 970707073 OGHSYWIPVQCYOO-MQYQWHSLSA-N 381.454 -0.503 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1046820504 METMWWNDHQODGF-ARKGTOAJSA-N 380.441 -0.682 30 20 GBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CCc2nnc(O)nc2O)nn1 1093060995 ASCGPJXZFFCDCB-RTXFEEFZSA-N 382.384 -0.197 30 20 GBED N#Cc1cc(CN2CCOCC2)cn(CC(=O)N2CCC(C(N)=O)CC2)c1=O 1307345956 MFOYMTAUVTUVHY-UHFFFAOYSA-N 387.440 -0.724 30 20 GBED Cc1oc(NC(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c(C#N)c1C 1319451095 JTOCCVQFNHVOPD-LSDHHAIUSA-N 396.469 -0.518 30 20 GBED Cc1cc(NC(=O)C(=O)N(CCO)CCN2CCOCC2)nn1CCC#N 1321625034 JGCWCTHFKWVCNE-UHFFFAOYSA-N 378.433 -0.803 30 20 GBED CN1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1323419590 IIUPABJGPOGKQX-SZGQWAQFSA-N 389.456 -0.428 30 20 GBED CC(C)(C)S(=O)(=O)N1CCC(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1324109818 NWRMSIOPEBITIZ-ZDUSSCGKSA-N 386.474 -0.554 30 20 GBED Cn1cc([C@@H](O)C[C@H]2CCCN2C(=O)C(=O)NC2CCN(CC#N)CC2)cn1 1326505334 FWPPBWOQSNHICK-SJORKVTESA-N 388.472 -0.061 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1)c1nncn1C 1326871987 JMTIPODELVCOJH-NSHDSACASA-N 398.470 -0.001 30 20 GBED C=CCn1c(C2=NO[C@@H](CO)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1339026307 PZNNKXXPFSXLTB-CYBMUJFWSA-N 377.449 -0.840 30 20 GBED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cnnn1C 1360240532 JTYGBOSWAIPHAA-AWEZNQCLSA-N 398.475 -0.230 30 20 GBED CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1 1548318890 OPTZHWSUHVACDP-GFCCVEGCSA-N 377.430 -0.101 30 20 GBED C#CCN(CC#C)c1nnc([C@@H]2CCCN2)n1C[C@@]1(O)CCS(=O)(=O)C1 1574632326 OTCPOJLRCSXPGB-YOEHRIQHSA-N 377.470 -0.675 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](CC)N=c1cc[nH]c(-c2nn[nH]n2)n1 1588404298 HAXLWZXLZGAYNK-STQMWFEESA-N 387.448 -0.144 30 20 GBED C=CCCOCC(=O)N1CCO[C@H]([C@@H](C)N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1588616831 NBLMTOHICFNZKL-OLZOCXBDSA-N 388.432 -0.301 30 20 GBED Cc1oc(C)c(S(=O)(=O)N2CCN(CC(=O)NCCC#N)CC2)c1C(=O)O 1600837501 KIOKWEJLKIASBH-UHFFFAOYSA-N 398.441 -0.069 30 20 GBED N#CCc1ccccc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 1653894427 OLLOVWUMUGBYKU-LSDHHAIUSA-N 399.494 -0.471 30 20 GBED CCOC(=O)C1([S@](C)=O)CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 1663396658 VJUFXUARLVBKOF-MCFWBGNESA-N 393.487 -0.768 30 20 GBED CN1CC[C@](O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)C1 1729597916 SKPRGKCSRFNIAE-OGHNNQOOSA-N 375.433 -0.975 30 20 GBED N#CCNC(=O)CN1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)CCO2 1755174418 QGAHTSLJZLCARC-OCABDXPQSA-N 388.468 -0.257 30 20 GBED Cc1nn(C)cc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782011177 OPUPKSCRIFXRPM-DNVCBOLYSA-N 388.424 -0.056 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)c2ccccc2C1=O 1793862332 ORNVHTKUIMNDND-HBCWATKFSA-N 395.415 -0.105 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c2cnccc12 1797564162 DZFKXUCKBGXMAZ-KSPBDQMDSA-N 382.376 -0.146 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cccnc3n1)C2 1800777327 QFCBCTXRBLMLLZ-DRXBFXEBSA-N 383.364 -0.980 30 20 GBED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1 1801434080 FMNCSBRPQQPHOX-RKQHYHRCSA-N 382.490 -0.222 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CNC(=N)N)n[nH]1 1817250625 PLEQZFBDIJWVHW-WCQYABFASA-N 375.433 -0.077 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)C1 1829666743 LTUCUHAKDMUTQQ-GOSISDBHSA-N 375.429 -0.299 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)C1 1829671171 VVARDRMWPWZKEH-TXPKVOOTSA-N 379.457 -0.868 30 20 GBED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1831213145 KTPBGDIIBJFJSN-FQEVSTJZSA-N 389.452 -0.521 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1831402543 KAICLNDWPIBAST-LJSPUIBFSA-N 394.424 -0.488 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN(C)C)C2)C1 1831424919 OAIMJLKJOLYTLM-LPHOPBHVSA-N 383.489 -0.014 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1831485671 IFQOZCLXCAXTDS-SUMWQHHRSA-N 397.501 -0.161 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC(F)(F)F)CCO2 1835336564 TXCLXRWRMZIFPV-AWEZNQCLSA-N 378.303 -0.517 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835999765 NRXPZIBNWLGFSD-KSSFIOAISA-N 395.481 -0.377 30 20 GBED CC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837560224 LKUDKZIZPCQQJB-YLGMEWQRSA-N 393.440 -0.074 30 20 GBED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)nn1C 1838835510 ZRWMPAPOZWZRIA-SJCJKPOMSA-N 398.485 -0.183 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1839844473 KLWSMZNSWVPBTA-FPXQBCRKSA-N 381.473 -0.622 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1839845132 FFRSFAJFGCQJMT-DAYGRLMNSA-N 392.460 -0.097 30 20 GBED Cc1cnoc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043306 QXCGIYXFVAATLH-KRWDZBQOSA-N 377.353 -0.859 30 20 GBED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)c1 1844893815 BEVJZRHJIUOHKT-CQSZACIVSA-N 381.392 -0.027 30 20 GBED CS(=O)(=O)N1CCCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 51034964 YJJBQDMDTHKENN-UHFFFAOYSA-N 399.494 -0.033 30 20 GBED N#C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CCO1 269480653 WPHDOELBSGCQFG-KRWDZBQOSA-N 392.481 -0.115 30 20 GBED CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 288454717 WKCUBSOXZZYLAQ-OAHLLOKOSA-N 384.440 -0.271 30 20 GBED C=CCN(C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)[C@@H]1CCS(=O)(=O)C1 328803276 JXTDNDNVHKABEV-GLKFPVFTSA-N 396.465 -0.259 30 20 GBED N#CCN1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 329082622 DUBVXBDXGAMOGL-UHFFFAOYSA-N 384.483 -0.043 30 20 GBED C/N=C(/O)[C@@H]1CN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CCO1 329286874 HARUFVHPHXPYHX-GJZGRUSLSA-N 382.461 -0.487 30 20 GBED O=S1(=O)CCC[C@@H](N/C(O)=N/CCS(=O)(=O)N2CCSCC2)C1 329804386 ZYXWFRHLMMDXQC-LLVKDONJSA-N 385.533 -0.554 30 20 GBED N#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCc2cnccc21 349448565 JPUYUYXJRMMVRF-UHFFFAOYSA-N 383.455 -0.157 30 20 GBED Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)cn1 349462754 UBYPTQXVXNGHDU-UHFFFAOYSA-N 388.471 -0.188 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)N(C)CC#N)CC[S@@](=O)C1 349605921 IIWGZDMAPVLWAF-WHEQGISXSA-N 399.560 -0.418 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 374449858 PWYSEMCWBUZKLP-KGLIPLIRSA-N 394.519 -0.551 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCC[C@H]4C(=O)NC[C@H]43)CC2)cc1 411015368 YEGJPMGENAOIPL-QZTJIDSGSA-N 395.463 -0.061 30 20 GBED CCN1CCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1=O 459875449 ZXYGZUMUBZAPAD-UHFFFAOYSA-N 383.452 -0.107 30 20 GBED COC(=O)[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCO1 481439084 RQBOSMAALMYVQX-RISCZKNCSA-N 381.410 -0.375 30 20 GBED Cc1ccc(Cn2cccc(NC(=O)C(=O)NCC(=O)NCC#N)c2=O)cc1 508987888 PNSPKZRKRHWCIV-UHFFFAOYSA-N 381.392 -0.101 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)CC2)o1 513095880 QQUOIVUKEQJUGY-DZGCQCFKSA-N 393.469 -0.378 30 20 GBED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C)c1=O 527030261 GUMNIIZFPNFVDY-UHFFFAOYSA-N 387.465 -0.414 30 20 GBED COC(=O)CCN1CC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1=O 540967062 LYRWHKPLWAMWDS-ZDUSSCGKSA-N 391.432 -0.398 30 20 GBED C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)[C@@H]1CN(C)CCO1 589408528 YJOAYQILLDYSIB-DOMZBBRYSA-N 383.412 -0.087 30 20 GBED COc1cc(NC(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)c(F)cc1C#N 599987606 NSIKYDWWOXSFHM-SNVBAGLBSA-N 384.389 -0.205 30 20 GBED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccn2)c1=O 603792662 AVXGTOOTHBYQFR-UHFFFAOYSA-N 382.445 -0.147 30 20 GBED C=CCN(CC=C)C(=O)[C@@H](C)n1cc(CNC(=O)CN2CCNCC2)nn1 640920098 MIHAUTYHKMZRQC-OAHLLOKOSA-N 375.477 -0.439 30 20 GBED CC#CC[C@H](CO)NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 649192566 KZFKGRJGLVEVIA-CYBMUJFWSA-N 381.454 -0.325 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCc2ccc(S(N)(=O)=O)cc2)CC1 728533824 BZHAUMRRICTPFU-UHFFFAOYSA-N 392.481 -0.840 30 20 GBED COc1ccc2c(c1)CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CC2 752736514 YEMHAMPTBVYYFE-UHFFFAOYSA-N 392.437 -0.084 30 20 GBED C=CCNC(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 758095664 ZOMIWLCTKBFBPV-GFCCVEGCSA-N 376.818 -0.175 30 20 GBED CS(=O)(=O)NC(=O)CCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 763442848 AVVVKNJHFMXABO-UHFFFAOYSA-N 376.398 -0.478 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 799287412 QCDQWYUZQNOERQ-LBPRGKRZSA-N 397.453 -0.226 30 20 GBED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCc1ccc(OC)c(C#N)c1 809503578 DWAPITZDTRTDTC-AWEZNQCLSA-N 394.453 -0.277 30 20 GBED N#Cc1cncc(S(=O)(=O)NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)c1 813982028 AMAAAEZMERQUSH-OAHLLOKOSA-N 398.404 -0.122 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)O)cs2)CC1 825687750 UWEBRJSEKQGGQZ-UHFFFAOYSA-N 380.426 -0.169 30 20 GBED CCOC(=O)CON=C(C(=O)NC(C)(C)CN1CCOCC1)c1cc[nH]n1 840521980 GYCOPMAEFWNCNL-UHFFFAOYSA-N 381.433 -0.080 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N(C)[C@H]1CC(C)(C)OC1=O 848958242 WQBOLQVDJZUOGJ-QWRGUYRKSA-N 381.476 -0.436 30 20 GBED C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1cc(C)c(=O)n(C)c1 848965976 ZKIUCUSNZSQXLA-GFCCVEGCSA-N 375.472 -0.233 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3nnc(C)n3c2)C[C@@H]1O 970702177 LLIIRCZYLWOCDF-WCVJEAGWSA-N 385.424 -0.070 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(N(C)C)nn2)C1 1024800875 NUXGEMBCENDGAC-MIGQKNRLSA-N 389.456 -0.175 30 20 GBED CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N 1093004931 FZPPRCXQMZMFKG-BZPMIXESSA-N 378.458 -0.144 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(-c2cccnc2)nn1 1109377094 JSKSZOKZVFPISE-INWMFGNUSA-N 380.412 -0.363 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1 1118533203 OCMUBZQDQBMTEA-CVEARBPZSA-N 396.451 -0.271 30 20 GBED CCS(=O)(=O)N(C)C1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 1256595068 YGNZXYSEJFKELS-CYBMUJFWSA-N 380.492 -0.799 30 20 GBED CCc1nncn1CCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1261092979 WAHYWOVVWNFQJQ-UHFFFAOYSA-N 382.428 -0.428 30 20 GBED C#CCN1CCC[C@H]1c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC1CC1 1263669597 UOFSDOIISYEGSE-HOTGVXAUSA-N 397.483 -0.395 30 20 GBED CC[C@@H](C#N)Oc1cccc(CNC(=O)C(=O)NCCNS(C)(=O)=O)c1 1322798151 PHNBZZUONCEEPE-ZDUSSCGKSA-N 382.442 -0.351 30 20 GBED Cc1cc(C)n(CCCNC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)n1 1327283673 NDGWAQYJGQDYME-FOCLMDBBSA-N 388.428 -0.351 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CCN(C(C)=O)C[C@@H]1C 1338866879 HEOWDVYNFDNNBB-LBPRGKRZSA-N 387.444 -0.415 30 20 GBED CCOC(=O)N1CCC(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CC1 1341787955 RHTDHEZMXZZHJR-ZDUSSCGKSA-N 385.442 -0.179 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 1342001267 GLQLVAHGYOCNGD-UHFFFAOYSA-N 386.452 -0.277 30 20 GBED C=CCn1cnnc1S(=O)(=O)[C@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 1344744123 MALZNSQFTHLXIO-VXGBXAGGSA-N 390.487 -0.338 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(C(=O)NCC(C)C)CC1 1354524387 PADMFUKADBYTAD-UHFFFAOYSA-N 387.502 -0.286 30 20 GBED C#CCO[C@@H](C)C(=O)NC1(CO)CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 1573287923 QJLWZRYMVBWGFO-LBPRGKRZSA-N 386.416 -0.858 30 20 GBED C=CCCOCC(=O)N[C@@H]1[C@H]2C[C@H]1N(C(=O)CC(=O)NCc1cnn[nH]1)C2 1575100348 PUJRUHOQALTOSQ-XTQGRXLLSA-N 376.417 -0.881 30 20 GBED C=CCn1cc(C(=O)NC[C@H]2CCCN2[C@@H](C)C(=O)NCc2cnn[nH]2)nn1 1575111640 IMWIYCOFAVHHRK-GXTWGEPZSA-N 387.448 -0.519 30 20 GBED C=CCn1cc(C(=O)N[C@@]2(C)CCN([C@@H](C)C(=O)NCc3cnn[nH]3)C2)nn1 1575112701 WRJZPXMQHVODJR-SJCJKPOMSA-N 387.448 -0.519 30 20 GBED N#CCSCC(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1581858367 CIQZBIWGUDEOGJ-UHFFFAOYSA-N 390.429 -0.855 30 20 GBED N#Cc1ccc(C(=O)NCC2[C@H]3CN(c4nccnc4-c4nn[nH]n4)C[C@H]23)[nH]1 1581867789 VZMNRZAEFKTJEG-VXGBXAGGSA-N 376.384 -0.031 30 20 GBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CN(C)c1cc(C)ncc1-c1nn[nH]n1 1588358127 QAUXNRNQOTULBS-ZIAGYGMSSA-N 387.444 -0.136 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 1592286042 MWRMMTZUPJYIBO-UHFFFAOYSA-N 376.344 -0.142 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc(-c3nn[nH]n3)ccc2F)c1=O 1602879407 PDRJUPIFQXJGCP-UHFFFAOYSA-N 385.359 -0.089 30 20 GBED CC1(C)CN=C(N2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)S1 1623124348 KDTXOLJFXFCKOV-UHFFFAOYSA-N 376.442 -0.154 30 20 GBED N#Cc1cn(CCNC(=O)N[C@@H]2CCN(c3ncccc3F)C2)c(=O)nc1O 1680273385 ZWIIRQQMDVNOFH-GFCCVEGCSA-N 387.375 -0.067 30 20 GBED CC(=O)N1CCN(CCn2c(C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1749883687 BXXUPCMECRMIIQ-GOSISDBHSA-N 386.504 -0.073 30 20 GBED CN(C)S(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@H](C#N)C1 1768526640 YDARCEDFUDVCQG-CQSZACIVSA-N 391.457 -0.040 30 20 GBED COC[C@@H](C)NC(=S)NN=Cc1ccc(S(=O)(=O)NCC(=O)O)cc1 1776018685 PTDWWIWIQHQDAW-SNVBAGLBSA-N 388.471 -0.118 30 20 GBED O=C(O)CNS(=O)(=O)c1ccc(C=NN[C@@H]2CCCS(=O)(=O)C2)cc1 1776093124 ZQZKXQALFLMGHF-GFCCVEGCSA-N 389.455 -0.450 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)c3ccccc3)[C@H]2C1 1786343036 OZKIKNWSVBBPIF-JYJNAYRXSA-N 384.388 -0.063 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)CN2CCCC2=O)[C@H]1c1cccnc1 1806925168 CQDPWZMLJZBKPT-FOIQADDNSA-N 398.419 -0.202 30 20 GBED C#CC(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@@H]1c1cccnc1 1807948950 KNKKMBPGWZXERX-LRDDRELGSA-N 392.379 -0.840 30 20 GBED C#CC(=O)N1CC[C@H](CNC(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1811188402 GVQUCPYJNKJXFA-DYVFJYSZSA-N 378.392 -0.077 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cc(CO)on2)[C@@H]1c1cccnc1 1811592391 LPTRPLVJHTWOMS-ACJLOTCBSA-N 398.375 -0.031 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1829773615 OVHYAYUYNQYDHA-DYJXEPLRSA-N 397.497 -0.381 30 20 GBED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)[C@@H]4CNC(=O)O4)CC3)CC2)CC1 1834599756 WQUUBTRMONDBMB-HNNXBMFYSA-N 389.456 -0.030 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042423 UWCLPYXTQZDMPE-KUHUBIRLSA-N 394.424 -0.896 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1840158473 MVBNTXMEPCIVJT-DYVFJYSZSA-N 380.470 -0.206 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CN2CCOCC2)C1 1842824089 IZWZJJCMJFPKKY-PLNGDYQASA-N 376.457 -0.620 30 20 GBED N#CC1(C(=O)N2CC3(CCCN3C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)CC1 1843129890 JSVQJKQDCPMGSE-UHFFFAOYSA-N 389.437 -0.041 30 20 GBED C/N=C(/NC[C@H]1COCCO1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261727614 JBXLHYSKQIORIK-AWEZNQCLSA-N 387.462 -0.887 30 20 GBED C=CC/N=C(\NCc1nnc(C)n1C)N1CCN(C(=O)[C@H]2CCCN2C)CC1 261948759 GRGRDKBNSPEMOC-MRXNPFEDSA-N 388.520 -0.006 30 20 GBED C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 276432069 RPQVSMNCNCOSOJ-ZDUSSCGKSA-N 398.423 -0.186 30 20 GBED C[C@H]1C(=O)NCCN1C(=O)C/N=C(/O)c1cccc(S(=O)(=O)N(C)C)c1 330621281 LTYOJDRFGPAXNE-NSHDSACASA-N 382.442 -0.412 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[S@](=O)C[C@H](C)C1 349460445 PTZRSPFOHBUJQS-DMZKTXOQSA-N 399.560 -0.418 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 349472636 XEPBHSJPKTVSEU-AAVRWANBSA-N 375.472 -0.623 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C2(C#N)CCC2)CC1 349532167 ALEAXAGMGSALTF-UHFFFAOYSA-N 378.520 -0.338 30 20 GBED C[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2nn(C)cc2C#N)CO1 349573284 KZMKNKLWCDUGQJ-JQWIXIFHSA-N 391.475 -0.480 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](S(=O)(=O)NC)C2)c1 362129983 LVPFUDMKZQQMHR-AWEZNQCLSA-N 385.467 -0.638 30 20 GBED N#CCC1(CS(=O)(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 408191584 GZSZFQALPZARRB-UHFFFAOYSA-N 384.458 -0.987 30 20 GBED CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 459920267 MFZSCYKXXCIHQV-GFCCVEGCSA-N 385.346 -0.017 30 20 GBED C=CCOC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1)C(=O)O 515350358 RUBYZTWNRHDVGT-GFCCVEGCSA-N 392.455 -0.163 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](Cc2ccc(Cl)cc2)C(N)=O)C1=O 553411030 CNOFQUKGDPOQEM-GFCCVEGCSA-N 392.799 -0.171 30 20 GBED CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)ccc1F 592299474 JSTPZIDXAANSKW-OAHLLOKOSA-N 384.389 -0.451 30 20 GBED CCOC(=O)Cn1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 594411651 KPLMMYHUWPNLBJ-UHFFFAOYSA-N 391.409 0.235 30 20 GBED CNC(=O)C1(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 609265101 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GBED C=CCS(=O)(=O)CCNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 783011364 OAQOCMNWCFOEJA-CYBMUJFWSA-N 397.519 -0.625 30 20 GBED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H]1CS(N)(=O)=O 784819357 RMHUNZAFOOIVQW-LLVKDONJSA-N 384.389 -0.054 30 20 GBED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C1 809502178 IVJUIGPAFVKIPV-AWEZNQCLSA-N 394.453 -0.277 30 20 GBED COCC[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 812395265 PTJIEELUDQIMDH-LBPRGKRZSA-N 383.426 -0.191 30 20 GBED CC(=O)N[C@](C)(C(=O)N[C@@H]1CCCN(O)C1=O)c1ccc(S(C)(=O)=O)cc1 820477067 UCIVMXZUZFYJCJ-PBHICJAKSA-N 397.453 -0.062 30 20 GBED C#CCN1CCN(C(=O)CN2CCN(C(=O)C(=O)OC(C)(C)C)CC2)CC1 844340276 NZGGYUVIEWINNL-UHFFFAOYSA-N 378.473 -0.750 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)OCCN2C(=O)CNC2=O)cc1 912958400 KZAGOYYKAZPTNG-UHFFFAOYSA-N 380.382 -0.413 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cnc(C(N)=O)n2)c1 1001904402 JNRRHQGREQQDOF-WZRBSPASSA-N 382.384 -0.861 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnc(OC)n2)C1 1024894961 WXLOIENMHQFFPV-MYPMTAMASA-N 376.413 -0.232 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC[C@@H]1CCCO1 1109171337 NBIRIAAHQMOFNN-UGUYLWEFSA-N 376.457 -0.857 30 20 GBED CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)n1 1321696972 OBMZIAWLNCQUPS-UHFFFAOYSA-N 381.396 -0.018 30 20 GBED C#CCNC(=O)C1CCN(C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)CC1 1322746043 WOOTXZAYSWHVDZ-UHFFFAOYSA-N 391.472 -0.762 30 20 GBED Cn1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3ccn(CCC#N)n3)C2=O)n1 1323705392 ZGYQJRQYWNNEGC-LBPRGKRZSA-N 384.400 -0.219 30 20 GBED Cn1ncc2c(N3CCN(C(=O)Cn4cncc(C#N)c4=O)CC3)ncnc21 1324146563 WTZOWDILFHHCIA-UHFFFAOYSA-N 379.384 -0.860 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)nn1 1326250669 OTOCGMGZFMOVPD-WBVHZDCISA-N 389.504 -0.435 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2ccc([S@@](C)=O)cc2)c(=O)n(C)c1=O 1340766962 VHZMHJNMFLHOOP-XMMPIXPASA-N 384.439 -0.866 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2CCSC(C)(C)C)CC1 1344402305 AWBRRLORBMDMQQ-UHFFFAOYSA-N 387.535 -0.206 30 20 GBED N#CCC1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 1348219007 IXKLKSUEPHHMGZ-UHFFFAOYSA-N 375.473 -0.095 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573309801 ORFWBZYSOWBDPU-YVEFUNNKSA-N 391.432 -0.587 30 20 GBED C=CCNC(=O)Cn1c(C2CCNCC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1574936104 GYJUZDILRUVAOS-ZDUSSCGKSA-N 375.477 -0.286 30 20 GBED C=CCNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)CCOCc3cnn[nH]3)[C@@H]2C1 1575103875 JDWCJGZMNJVYEU-SQWLQELKSA-N 376.461 -0.065 30 20 GBED COCC#CCNC[C@@H](O)CN(C)C(=O)C1CCN(Cc2cnn[nH]2)CC1 1576953996 UIWUBYJRBYLSCF-QGZVFWFLSA-N 378.477 -0.925 30 20 GBED Cc1nsc(N2C[C@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1C#N 1581682379 PFTAHLIRPOPYLI-NEPJUHHUSA-N 385.413 -0.189 30 20 GBED N#Cc1cnccc1N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 1581883598 PDEWAWOOLZEQAO-IUODEOHRSA-N 379.384 -0.169 30 20 GBED N#Cc1nccnc1N1CCO[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1581885539 DKEVWUZENGBVAN-NSHDSACASA-N 380.372 -0.508 30 20 GBED C#CC[C@@H](COC)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1588333909 IKCZSRFSGWCPKB-YPMHNXCESA-N 392.441 -0.312 30 20 GBED C=CCN1C(=O)c2ccc(C(=O)N3CCS(=O)(=O)C[C@@H]3C(=O)O)cc2C1=O 1588464540 ZIXOEXNXHJNBMN-CYBMUJFWSA-N 392.389 -0.208 30 20 GBED C#CCN1CCC(C(=O)N2CCN(c3nccnc3-c3nn[nH]n3)CC2)CC1 1602718124 NOHWCFFZHIMMHB-UHFFFAOYSA-N 381.444 -0.350 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2ccc(/C=C/C(=O)O)o2)c(=O)n(C)c1=O 1776052263 VKZKSRGWSZKXJG-YCNQYZPQSA-N 382.354 -0.913 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1781397343 BLFZUXNFRCKFPV-QWQRMKEZSA-N 380.445 -0.247 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C[C@@H]21 1784480344 WPBZROITOJDMCS-GVRJEKJASA-N 377.441 -0.717 30 20 GBED CCc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)nn1C 1791077225 RFUCFKRWKXJQKE-NOLJZWGESA-N 388.424 -0.336 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ncnn4c3)C[C@@H]21 1791077262 SKCZOYOFDFWEKN-KKUMJFAQSA-N 397.391 -0.589 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3ccnn3)[C@H]2C1 1791645344 RQKFIQJFTPHDQP-QAETUUGQSA-N 389.456 -0.314 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncccn3n1)C2 1793344264 KTUROQQJTBRNOH-ZXFNITATSA-N 397.435 -0.029 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CC(=O)NC1=O 1794085475 IXGUTTWWQJNOKQ-CRWXNKLISA-N 392.456 -0.251 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)c1ccccn1 1795609797 QNKNSDLQNSHVNS-OSBBLCOHSA-N 386.452 -0.291 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ccncc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c4cnnn4C)C3)C2)C1 1829664108 WSQUDBXMJRKDKU-GOSISDBHSA-N 375.429 -0.149 30 20 GBED C=CCC(=O)N1CCC(N2CCC(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833765060 QJWGKAIWQAHRCN-HNNXBMFYSA-N 391.472 -0.268 30 20 GBED COCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1835230066 URFMDTPOJWNVOS-LJQANCHMSA-N 396.488 -0.239 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCOC)CCO2)C1 1835239443 FEJDKSUPBKGDNF-QFBILLFUSA-N 398.456 -0.856 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1840174265 RIPSDYQJYLAKNO-GOSISDBHSA-N 390.396 -0.179 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1=O 265947273 XMZDPQKWQKNHJL-VXGBXAGGSA-N 385.442 -0.223 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)C1=O 266037462 KGIARMAGNJGADV-LLVKDONJSA-N 388.384 -0.992 30 20 GBED N/C(=N\C[C@H](O)CS(=O)(=O)c1cccs1)NCCCN1CCOCC1 269675468 CRZGKBCZHLGKNJ-ZDUSSCGKSA-N 390.531 -0.491 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CCOC)C(=O)C2)cc1 271065713 JHAVWUCIIJXUBG-UHFFFAOYSA-N 379.438 -0.471 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCN(Cc3ccccn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c3ccccc3)C2)CCO1 410127287 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COCCN1CCC[C@@H]1CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 577596726 NCZCCWREZXUADM-CYBMUJFWSA-N 391.476 -0.518 30 20 GBED CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCC#CCO 578205313 MKHPQZIAFPHVQW-CQSZACIVSA-N 386.857 -0.015 30 20 GBED CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 580095144 JKKSICAPGNQANC-LEWSCRJBSA-N 389.455 -0.431 30 20 GBED CCOC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 594625134 UFESROZMDSCCIK-UHFFFAOYSA-N 375.428 -0.328 30 20 GBED Cc1nc(=NS(=O)(=O)c2ccccc2S(=O)(=O)NC[C@@H](C)C#N)n(C)[nH]1 594633086 RONPURCPBOIKQB-JTQLQIEISA-N 398.470 -0.216 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](CC(N)=O)C1 600679378 IXAXSKBHTRMMQO-WCQYABFASA-N 380.426 -0.672 30 20 GBED Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)NC2(C#N)CCCCC2)cn1C 750622105 VROJDSSNEOSKEF-UHFFFAOYSA-N 397.457 -0.107 30 20 GBED CN(CCC#N)S(=O)(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 756202770 BZSKTVWILHIXBU-UHFFFAOYSA-N 378.398 -0.020 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@H](COC(C)C)C2)c1=O 769814411 NBTGYVJAAACXDI-OAHLLOKOSA-N 380.445 -0.373 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCCO1 804910981 GHYOVFBYOCSWKH-CVEARBPZSA-N 394.449 -0.118 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)[C@H]1CCCO1 809309996 AADMXFFPRHQBON-QLFBSQMISA-N 383.470 -0.690 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 810270447 XJHPAKXXOSRRRS-LSDHHAIUSA-N 378.454 -0.184 30 20 GBED O=C(N[C@H]1CCCN(O)C1=O)c1ccc(C(=O)N[C@H]2CCCN(O)C2=O)s1 816758051 HSRZZFZYMMZVKR-UWVGGRQHSA-N 396.425 -0.032 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(OCC)nn2)CC1)[C@@H]1CCCO1 829213875 DBJCHRUEABHOJB-CABCVRRESA-N 387.440 -0.179 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NOCC)cc1 846131735 UDFLAPVBFBBQHE-UHFFFAOYSA-N 398.441 -0.385 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCCS3(=O)=O)CC2)o1 848857949 DPERKHKXYANNJC-CYBMUJFWSA-N 396.425 -0.376 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1nncs1)[C@@H]1CCCO1 848963849 DUQKUMIILHQADA-MNOVXSKESA-N 394.500 -0.230 30 20 GBED CO[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@](C)(C(=O)O)C1 864182285 YMIXTPXGZZCKNF-QFYYESIMSA-N 381.410 -0.184 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H]1C 940379159 BVTFQIZFVNMISN-SYQHCUMBSA-N 392.456 -0.129 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnnn2C2CCOCC2)C[C@H]1O 1077698101 RYHDGQGBVIXEFJ-FPCVCCKLSA-N 392.460 -0.723 30 20 GBED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1318501179 UZUHWMAMFJEBLZ-RDCVWBNRSA-N 389.456 -0.286 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)C1 1326375623 NHVJKJJPQQTNKX-NRFANRHFSA-N 399.495 -0.203 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCN(CC2CC2)CC1 1326597150 POSZCDHDRKBYNI-FOCLMDBBSA-N 375.429 -0.817 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)CCN1C1CC1 1331881239 HQWGNJPQDSIQTL-OAHLLOKOSA-N 385.424 -0.237 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CCO1 1344767845 ZJHJGFHBECYARC-LSDHHAIUSA-N 398.485 -0.410 30 20 GBED C[C@H](O)C[C@H]1CCCCN1C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1346276596 LJBGVRNYACQTGR-UBQVSUSGSA-N 378.429 -0.219 30 20 GBED COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 1346503563 NTFVWWOFBCKXMU-GFCCVEGCSA-N 381.410 -0.071 30 20 GBED C=CCn1cc(C(=O)NC[C@@H]2CCCN2[C@H](C)C(=O)NCc2cnn[nH]2)nn1 1575111642 IMWIYCOFAVHHRK-OCCSQVGLSA-N 387.448 -0.519 30 20 GBED CC1(C)CN(CC(=O)NCC#N)CC[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1575712157 FDJPXAHMFHNJTR-CYBMUJFWSA-N 385.432 -0.335 30 20 GBED N#Cc1ccc(N2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H](O)C2)cn1 1581871124 IGGRXADJEHBIFB-SWLSCSKDSA-N 379.384 -0.169 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[nH]n3)nc2)C1 1588355190 FYPAAWBOWOWWNS-SCLBCKFNSA-N 385.428 -0.253 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2OC)nc1 1588370093 MRARBZHHGZHTEZ-HUUCEWRRSA-N 391.395 -0.333 30 20 GBED C#CCN(CC(=O)O)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1588399392 JTGINHWUABNETJ-MGPQQGTHSA-N 384.454 -0.358 30 20 GBED C=CCOCCNC(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1 1588683539 XOIYSZNOJZEKGE-UHFFFAOYSA-N 385.428 -0.166 30 20 GBED C[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1CNCC(=O)NCC#N 1590262089 VARNTRXFBSWCQQ-RISCZKNCSA-N 385.432 -0.335 30 20 GBED CN(CCOCCNC(=O)c1ccc(C#N)[nH]1)c1ccc(-c2nn[nH]n2)nn1 1591110576 LGKXAABXZRNKKB-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H](C(=O)O)[C@H]2CCOC2)c1 1601121310 KSATUEOQENNHTE-GXTWGEPZSA-N 381.410 -0.310 30 20 GBED Cc1ccc(C#N)c(N2C[C@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 1605805842 JSWLGIFDZYFPMC-KGLIPLIRSA-N 379.384 -0.251 30 20 GBED Cc1nn(C)c(N2CCN([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)c1-c1nn[nH]n1 1606109981 GEWMQBARHYQUSI-ZDUSSCGKSA-N 398.475 -0.018 30 20 GBED N#Cc1nccc(N2CCO[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 1606398636 OTBHVWFGJLZAGS-LLVKDONJSA-N 380.372 -0.508 30 20 GBED CS(=O)(=O)c1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)cc1 1609368238 ZWGMBWAMAYTLFQ-UHFFFAOYSA-N 386.397 -0.345 30 20 GBED CN1CC[C@@](O)(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)C1 1767515419 NVERUXSMDYRIQK-KSSFIOAISA-N 389.460 -0.804 30 20 GBED N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc(O)nc2O)C1 1778007022 ZKZZJFPEMMLJJO-SJKOYZFVSA-N 375.385 -0.071 30 20 GBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C2 1781691060 WLONRWPTWRHEOU-JJRVBVJISA-N 385.486 -0.539 30 20 GBED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1)n1cnnn1 1783684572 PWPCCBWFXBEMLQ-XUXIUFHCSA-N 375.433 -0.236 30 20 GBED C=CC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1790828153 LISYIRRTFPDGLE-YXMSTPNBSA-N 380.489 -0.229 30 20 GBED Cn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1794783371 VSFPJQAFAGOJRZ-MIFYACCESA-N 388.472 -0.095 30 20 GBED O=C(Cn1ccnn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1795889202 YMLKEESQDKOPJP-XEMDLRDOSA-N 379.420 -0.081 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2[nH]ncc2c1 1797350007 SRICVAZAYVVIFL-YWVIFJGQSA-N 383.364 -0.751 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS[C@@H]1CCCCO1 1797800310 QTEIYXNYOXCVOV-JGTCGTHISA-N 396.465 -0.076 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)ON=C(C)C 1799396921 IXQQSDKTWPXPFW-AMSCCUFHSA-N 382.461 -0.099 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccncc2=O)CCC1 1800199818 IZJCSXVJXGQRDC-XOIINTDNSA-N 385.424 -0.473 30 20 GBED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(O)O)C2 1804370421 NWKJHOBNXFRAOC-CRWXNKLISA-N 395.456 -0.148 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCC4)CCO3)C2)CC1 1829870499 KDPOTAHAUNPTFG-LJQANCHMSA-N 376.457 -0.158 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)OCC#C)CCO2 1831388449 SPNIUPPREHFPTQ-MBOZVWFJSA-N 392.452 -0.481 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)cc1)CCO2 1838956979 WAEMPQUJCCJRRP-IBGZPJMESA-N 390.367 -0.016 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3O)C2)C1 1840041048 MSCPVYHKAOURRR-LJQANCHMSA-N 388.376 -0.450 30 20 GBED Cc1cncc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840041467 OINGXTBHQAYGQQ-IBGZPJMESA-N 387.392 -0.452 30 20 GBED NC(=O)[C@@H](N)CCC(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282356 GYNUWJNKGGFJDP-HNNXBMFYSA-N 390.484 -0.519 30 20 GBED O=C1NC[C@@H](C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@H]3CCCCO3)C2)O1 1844299374 SGPWKAGMTOFIAI-WLYVWDQKSA-N 380.401 -0.173 30 20 GBED COC(=O)[C@]1(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCOC1 268848421 FGXUTYDGLIKYKD-ZBEGNZNMSA-N 381.410 -0.327 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@H](C(=O)NC)Oc2ccccc21 273008739 WSRLOAZUYJZIGT-CQSZACIVSA-N 395.437 -0.756 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CCC(=O)OC)C(=O)OC)cc1 276819258 GWKXEPYXAIXLFR-CQSZACIVSA-N 396.421 -0.177 30 20 GBED COCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 286605165 OLYUBFRWXNTIOB-MRXNPFEDSA-N 386.456 -0.561 30 20 GBED CCN(/C(O)=N/CCS(=O)(=O)N1CCSCC1)[C@H]1CCS(=O)(=O)C1 328651807 KAHQWTVFSAZVLX-LBPRGKRZSA-N 399.560 -0.212 30 20 GBED C[C@H](CN1CCCC1=O)/N=C(/O)N1CCN(C(=O)CN2CCOCC2)CC1 328764181 GEYAMUOFMUEDGN-OAHLLOKOSA-N 381.477 -0.612 30 20 GBED C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(/C(O)=N/Cc3nnn(C)n3)CC2)C1 330234672 STBCKUXWCJNWKE-ZIAGYGMSSA-N 378.481 -0.254 30 20 GBED C[C@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)Nc1nc2n(n1)CCCC2 349616408 NVEZAGDQSRRPDM-LLVKDONJSA-N 390.491 -0.032 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCCCN2C(=O)COc3ccccc32)CCO1 410139825 ZVZSOOAFWNLLIG-ZDUSSCGKSA-N 380.426 -0.139 30 20 GBED CN1CCN(CCCN(C)C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 440268030 RDCDDONWSRBNIP-UHFFFAOYSA-N 389.504 0.544 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@H](n3cccn3)C2)CC1 459889528 UYSITVYTFSWMNA-MRXNPFEDSA-N 388.472 -0.507 30 20 GBED COc1ccc(CCNS(=O)(=O)N(C)[C@@H](C)CC#N)cc1S(N)(=O)=O 509193667 CZQILKAZECULKZ-NSHDSACASA-N 390.487 -0.047 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(S(N)(=O)=O)cn1C 532311794 KTCHYPWDFGEVNS-NSHDSACASA-N 389.441 -0.315 30 20 GBED C=CCN(CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 533065223 GHKXFWABNYLETD-KBPBESRZSA-N 378.516 -0.303 30 20 GBED N#CC1(NC(=O)CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CCCCC1 533383047 WOGJWEWESNQDOU-LSDHHAIUSA-N 384.502 -0.584 30 20 GBED C=CC[C@@H](CO)CNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 537109885 FCRBPDMNFLKBGK-OAHLLOKOSA-N 376.461 -0.001 30 20 GBED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 537378894 ABMBMAJZJDVIMA-NSHDSACASA-N 380.426 -0.002 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)C2=O)cc1 567521960 BEPAKVQTBOLJJW-BBWFWOEESA-N 396.451 -0.387 30 20 GBED CCOC(=O)Cn1cnc(NC(=O)N2CCN(c3cnccc3C#N)CC2)n1 574913056 JFNAYQJFGXKEER-UHFFFAOYSA-N 384.400 0.462 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)NC[C@]2(O)CCOC2)c1 579376090 FUSKZEQZGPJVCB-SMDDNHRTSA-N 389.455 -0.693 30 20 GBED CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOCC1 583754212 DFDDKYIOFHOAGN-OAHLLOKOSA-N 394.453 -0.410 30 20 GBED CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 746364795 LUTMZHDIMXPGAR-ZDUSSCGKSA-N 375.433 -0.596 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1CN1C(=O)NC2(CCN(C)CC2)C1=O 756876333 LSYZXLDZUSYSIY-CQSZACIVSA-N 398.471 -0.168 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCCN2C(=O)CNC2=O)[C@H](C#N)C1 758469812 GCDCFKZUHCSELC-VXGBXAGGSA-N 394.432 -0.013 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCOC[C@H]1c1noc(C)n1)c1cc[nH]n1 772536216 FOTAHTJDSFQZEE-LBPRGKRZSA-N 392.372 -0.015 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)C[C@@H](Cc2ccccc2)OC)CC1 817133616 VQLRKMMPRQSQQH-GOSISDBHSA-N 393.509 -0.059 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCC[C@]12CCOC2=O 848957460 KXPQTGPUEOYKFJ-GXTWGEPZSA-N 393.487 -0.291 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 875595302 ADQROJLRSHIEJH-CABCVRRESA-N 378.473 -0.658 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2COc3ccccc3C2)CC1 892063613 NMWMXWORQSNUCZ-HNNXBMFYSA-N 378.454 -0.215 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCOC 918729645 MWIUSDQPAHEMDQ-UHFFFAOYSA-N 394.478 -0.722 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 949878664 WUFAYEBLONMMNC-IATRGZMQSA-N 390.444 -0.679 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]21 960459622 ZKOKNMIFJLDMAY-SYAUCNOPSA-N 388.424 -0.197 30 20 GBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2C(=O)CNC2=O)c1 1006467796 DCSAASABUAXIQQ-KFWWJZLASA-N 381.392 -0.524 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCO[C@H]3C(=C)C)C2)nn1 1023942491 ZECXYGPQZMFYCA-XNISGKROSA-N 375.429 -0.253 30 20 GBED C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)CC1 1024905457 YXIAFPIXAIWCFC-IKVWTGGYSA-N 389.496 -0.021 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C[C@H]2O)nc1 1024926836 SELRDKRCOORHIB-WSWKGWCUSA-N 385.420 -0.584 30 20 GBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CN(c2ccncc2C#N)C[C@@H]1n1ccnn1 1051472418 HSFCCKJEALGVTB-YVVXQTMVSA-N 383.412 -0.105 30 20 GBED CN1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(C#N)n2)S1(=O)=O 1055462216 XCFUVWJRJSGVFL-MQYQWHSLSA-N 376.442 -0.392 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1058354215 AELVCIRVZCYYGI-KFGODFMUSA-N 396.484 -0.044 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCc2ncnn2C)C1 1070196312 QLJSNUUHQNEQNM-WCVJEAGWSA-N 386.460 -0.071 30 20 GBED CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1090951438 JBDMBMIFRNFDHG-APIJFGDWSA-N 388.428 -0.519 30 20 GBED C=C[C@H](COC)NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 1116644118 XXNVFWRCSLAUEM-QLFBSQMISA-N 390.506 -0.131 30 20 GBED CN(C)Cc1cc(C(=O)NCC#CCNC(=O)c2cc(CN(C)C)on2)no1 1116661112 LNQDRXRUHLLVJL-UHFFFAOYSA-N 388.428 -0.051 30 20 GBED N#CCC1(CNC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 1117030214 OIFARWGGVPBSHS-UHFFFAOYSA-N 397.435 -0.315 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCC1([S@@](C)=O)CC1 1117667436 IRKNKIUJFUBRPM-KHXSAUHESA-N 390.469 -0.587 30 20 GBED CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1118187943 SSQVFDKPWPOLIO-IBGZPJMESA-N 384.392 -0.382 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N(C)CC(F)(F)F)C[C@H]1O 1196276682 SHRQPFIRSVIPPG-LPWJVIDDSA-N 379.379 -0.241 30 20 GBED COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCC#CCO 1327096622 IQJONKNYOHZFBI-AWEZNQCLSA-N 382.438 -0.660 30 20 GBED C=CCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@@]1(O)CCSC1 1338811077 DSRMRNZDMACUCF-QGZVFWFLSA-N 380.518 -0.001 30 20 GBED C=CCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@]1(O)CCOC1 1339911671 URGPHERQROYICO-KSSFIOAISA-N 377.445 -0.100 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)C1 1345879292 DLFHMQPUJODOMW-MDZRGWNJSA-N 378.473 -0.252 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 1346553367 PIZYSVPNDSZVCI-BKJYESAMSA-N 389.456 -0.238 30 20 GBED N#Cc1ccc(N2C[C@H](C(=O)N3CCS(=O)(=O)C[C@H]3C(=O)O)CC2=O)cc1 1574489045 XPGKFGAQTJSWGT-OCCSQVGLSA-N 391.405 -0.379 30 20 GBED C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([C@H](C)N)C1 1574936527 MEXKHPCPHJPZRH-UONOGXRCSA-N 375.477 -0.124 30 20 GBED C[C@H](OCc1cnn[nH]1)C(=O)NC[C@]1(C)CN(c2cnc(C#N)cn2)CCO1 1575855944 XLPVQDCHWPLYDK-YVEFUNNKSA-N 386.416 -0.217 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@]1(CO)CCCN(c2cncc(-c3nn[nH]n3)n2)C1 1588503228 XNNQCLLSNRZFFN-IAGOWNOFSA-N 388.432 -0.569 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(-c3nn[nH]n3)c(OC)c2)C1=O 1588654133 AJHSIUOZUUWKPQ-UHFFFAOYSA-N 399.367 -0.532 30 20 GBED N#Cc1nccc(N2CCO[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 1606398701 TVGFQLZWZFMONP-NSHDSACASA-N 380.372 -0.508 30 20 GBED O=C(N[C@@H]1COC2(C1)CN(C(=O)C#CC1CC1)C2)c1ccc(-c2nn[nH]n2)[nH]1 1606689266 RAMMCVZIUIMNHG-LBPRGKRZSA-N 381.396 -0.292 30 20 GBED CS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1 1771369923 UQOCXHLFFCBLDR-UHFFFAOYSA-N 395.489 -0.310 30 20 GBED N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCOC2)CCO1 1771536530 WFHRCOLXJWDGKR-SUMWQHHRSA-N 376.417 -0.606 30 20 GBED COCCCNC(=S)NN=Cc1ccc(S(=O)(=O)NCC(=O)O)cc1 1776018669 OKUIIPBTMWBGKS-UHFFFAOYSA-N 388.471 -0.116 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)CC(N)=O)CCO2)C1 1778968283 OKPGAFXJNWXPMW-TYILLQQXSA-N 381.473 -0.099 30 20 GBED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)Cn1ccnn1)CCO2 1779016806 PJTUKZQLSUXSME-BAOGCXAUSA-N 389.460 -0.420 30 20 GBED O=C1CC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)N1 1779137522 QJQWNBOCFYZQSU-HYEVGHBBSA-N 388.424 -0.193 30 20 GBED COC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780337835 LOPMZHCDJKWVMC-KRWDZBQOSA-N 375.385 -0.314 30 20 GBED COC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785366921 QHFIUBAQPTUCGQ-KXBFYZLASA-N 392.456 -0.339 30 20 GBED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC=O)C[C@@H]21 1789958856 ZYADFFBUYWKQTC-YXMSTPNBSA-N 382.461 -0.099 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C)nc1OC)C2 1793342429 OEWNZNVJKMVTMQ-HGTKMLMNSA-N 390.440 -0.330 30 20 GBED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1793387716 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N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1834768519 AUCDAZKPHSPYLT-QGZVFWFLSA-N 375.385 -0.775 30 20 GBED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835352293 RWISTSGEULXSNM-KDOFPFPSSA-N 380.445 -0.339 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1835364348 RKAPODUWHPGNIE-KBXCAEBGSA-N 378.429 -0.727 30 20 GBED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835578256 NZKQCUUXLKQOAL-OAHLLOKOSA-N 389.403 -0.863 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 1838636273 WKCWJBLJOCCKAM-QGZVFWFLSA-N 375.385 -0.856 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=CCCS3)C2)C1 1840040386 XHEJRUYNFDDYHG-KRWDZBQOSA-N 380.422 -0.448 30 20 GBED COC1(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CCC1 1840044151 NNRNRRWIHXFQDJ-LJQANCHMSA-N 394.424 -0.510 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1842921438 UMMAEYSWYBAEFI-CQSZACIVSA-N 375.473 -0.002 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)c2nccnc2C(N)=O)C1 1844595880 GMGSSVBUUBCQJU-LBPRGKRZSA-N 387.440 -0.034 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCC(=O)NC1 1847317727 DARADCSNBPZWGN-KKUMJFAQSA-N 375.473 -0.004 30 20 GBED CC(C)[C@@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)n2[nH]nnc2n1 1847829466 KRKXVQQYNNYUIV-GMXVVIOVSA-N 391.457 -0.418 30 20 GBED COCCNC(=O)CN1CCN(Cc2nc3ccccc3c(=O)n2CC#N)CC1 22835080 CQHAQPVBKUEICZ-UHFFFAOYSA-N 398.467 -0.200 30 20 GBED CC(C)/N=C(/NC[C@H]1CCS(=O)(=O)C1)NC[C@H]1CCCN1S(C)(=O)=O 262427199 RVCNXWVYDBIXOO-ZIAGYGMSSA-N 394.563 -0.211 30 20 GBED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CNC(=O)CNC(C)=O)C1=O 264847620 MLPHUMWTCYDMAW-KRWDZBQOSA-N 383.449 -0.059 30 20 GBED COC[C@@H](C)NC(=O)NC(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C 268248517 BKWSBMAGRDTTRA-OLZOCXBDSA-N 375.433 -0.281 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 292319822 MHIMBJGEPMZMCU-FUHWJXTLSA-N 392.500 -0.150 30 20 GBED C=CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)NC)CC2)c1 298094484 IIWTUGDYHLESNJ-UHFFFAOYSA-N 382.442 -0.202 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1=O 299540755 VKWDOSWIAJUGSO-STQMWFEESA-N 380.445 -0.033 30 20 GBED CC(C)N1CC[C@H](/N=C(/O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1=O 329711875 PEGKPBPIGVXZAU-NSHDSACASA-N 376.417 -0.210 30 20 GBED Cn1[nH]cnc1=NS(=O)(=O)CCCCS(=O)(=O)N1CC[C@@](F)(C#N)C1 348471569 LUDPEGBJJRNHES-GFCCVEGCSA-N 394.454 -0.974 30 20 GBED C=CCOC[C@@H]1NC(=O)N(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1=O 348571174 JXEFTLJWGXKIAZ-NSHDSACASA-N 398.397 -0.004 30 20 GBED CCN([C@@H]1CCNC1=O)S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 349451401 NELRXTUPEMGBRX-LLVKDONJSA-N 386.455 -0.612 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)NCC1(C)C 349492250 KRSRQZPSKRHJHT-NSHDSACASA-N 380.492 -0.862 30 20 GBED CC(C)N1CCN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)CC1=O 349508223 WOLIGINOBUHSJD-LBPRGKRZSA-N 380.492 -0.910 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2C[C@H](C)[C@@H](O)C2)c1C#N 349530798 ZEIYLODOPUGGDN-CABZTGNLSA-N 391.475 -0.636 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)N[C@H](C#N)C(C)(C)C)CC1 349534131 FORXJNPQMWYFNU-CYBMUJFWSA-N 380.536 -0.189 30 20 GBED COC(=O)[C@@H]1C[C@H](OC)CN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 369380873 CBWNKZMDYLPOLN-ZFWWWQNUSA-N 391.428 -0.234 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC(N3CCCC3)CC2)CC1 459884435 LBZPLWHCMVTZIW-UHFFFAOYSA-N 391.516 -0.480 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)CC2)c1C#N 472076977 UMKMDGYGHKCROR-TZMCWYRMSA-N 375.433 -0.535 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3noc(CC)n3)CC2)C1=O 520352340 VARZZQAFEAUAQM-UHFFFAOYSA-N 390.400 -0.747 30 20 GBED COc1ccc(S(=O)(=O)NCCC(=O)NCC(=O)NCC#N)cc1OC 521416379 QPVVYNIIASWAGD-UHFFFAOYSA-N 384.414 -0.872 30 20 GBED N#CC1(NS(=O)(=O)c2ccc(S(=O)(=O)NCCOCCO)cc2)CC1 565230022 VZELYBBPEUJCGR-UHFFFAOYSA-N 389.455 -0.692 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCn3ncnc3C2)cc1 568239777 TZDTZSJYTPIAPF-UHFFFAOYSA-N 382.427 -0.716 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCn4cncc4C3)n2)cc1 571216324 HMXXAKRVHGQNHA-UHFFFAOYSA-N 376.380 0.375 30 20 GBED CN(C1(CO)CC1)S(=O)(=O)CCCS(=O)(=O)Nc1ncc(C#N)s1 594636025 DLVKIWQCBUOPDQ-UHFFFAOYSA-N 394.500 -0.067 30 20 GBED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NC[C@@H]3COCCN3)CC2)cc1 599962548 RSABCKOJEAHBEB-GOSISDBHSA-N 385.468 -0.303 30 20 GBED O=C(NCC#CCNC(=O)[C@H]1CCCc2nn[nH]c21)[C@H]1CCCc2nn[nH]c21 613395378 QCLRPMRFYFDRJA-RYUDHWBXSA-N 382.428 -0.301 30 20 GBED COc1ccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)cc1 729675051 RHWCYMQNQUGVNM-UHFFFAOYSA-N 389.458 -0.010 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2scnc2C)c1=O 758060596 HJKNODFKYOJJSL-UHFFFAOYSA-N 388.474 -0.426 30 20 GBED C#C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@@H]1CCCO1 775339951 LHMANMRDNQVDFM-UGFHNGPFSA-N 379.438 -0.251 30 20 GBED C#C[C@H](NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1)[C@@H]1CCCO1 805367175 ZQESTTJCFPZVGQ-HOTGVXAUSA-N 378.473 -0.658 30 20 GBED C[C@H](CC(=O)N1CCOC[C@@H]1C(=O)O)/N=C1/NS(=O)(=O)c2ccccc21 823847935 NYVNQKJKQKKJDK-ZYHUDNBSSA-N 381.410 -0.184 30 20 GBED COC(=O)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O 831129250 VDMZGSQSBQPHRS-BXKDBHETSA-N 383.382 -0.642 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccccc1 839229704 JMFBMMDTHGITSF-UHFFFAOYSA-N 379.445 -0.059 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 875601307 ZKMINYIBNAWNNC-INIZCTEOSA-N 380.489 -0.456 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3CC)C[C@@H]2O)nn1 964298647 BZYYAVPMSCEJHW-VDERGJSUSA-N 377.445 -0.029 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1n1ccnn1 990880042 KJFFVUXYXLISTA-RZFFKMDDSA-N 387.400 -0.176 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3nnc(O)nc3O)C[C@]2(C)C1 993186982 WDFZSOWJRFJUNJ-PAUBSPINSA-N 389.412 -0.206 30 20 GBED N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCS(=O)(=O)N2)[nH]1 996104970 XCRPYMNAYDKBAH-ZZVYKPCYSA-N 377.426 -0.560 30 20 GBED C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC(=O)NC(=O)C2)c1 1000168981 KVNJFFVRDWKFJH-PMPSAXMXSA-N 380.404 -0.023 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1O 1023942696 KSHAIHXRUAJQMI-MLHJIOFPSA-N 393.484 -0.086 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCCCOC)nn1 1111112300 ICFUUFNSWYJVAM-FMKPAKJESA-N 376.461 -0.048 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCS(=O)(=O)CCc2ccccc2)C1 1118225565 JKCAECRJIFYXIW-SFHVURJKSA-N 393.465 -0.363 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 1220041010 SCXWBYXDDVUQKG-CBZIJGRNSA-N 378.473 -0.275 30 20 GBED C[C@@]1(CCCO)CCCN1C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1328817994 UTPQAIQYVGSTPR-OUFNUQFJSA-N 378.429 -0.217 30 20 GBED C#CCN(C(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)C(C)C 1336498274 ZLVPHOOSIBDNEQ-UHFFFAOYSA-N 395.485 -0.568 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1COc2c(cccc2OC)C1 1346105840 RUAWJBSAMTXADD-ZDUSSCGKSA-N 382.438 -0.168 30 20 GBED N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccco2)CCO1 1505322416 NLTAVTAXCQTTQU-STQMWFEESA-N 399.411 -0.019 30 20 GBED C=CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1519552204 SDNJIECYAYOKKO-OLZOCXBDSA-N 382.490 -0.072 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2nc[nH]n2)CC1 1557257703 UCPQBTFQUIZMFW-LBPRGKRZSA-N 389.441 -0.308 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H](CO)Nc2nc(C)cc(-c3nn[nH]n3)n2)cn1 1573288425 QEPXKAWABYWATA-ZDUSSCGKSA-N 379.384 -0.456 30 20 GBED C=CCOCC(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[nH]n2)C[C@@H]1O 1573343189 KQOIHNQLANNKGI-SFYZADRCSA-N 385.837 -0.155 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588351473 WFKWSCCHWJQNCF-ZFWWWQNUSA-N 382.428 -0.377 30 20 GBED C=CCCOCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 1588610627 IUPHAJIHKXUUGN-JSGCOSHPSA-N 389.416 -0.521 30 20 GBED C=CCOCC(=O)NCC1(O)CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1588673875 CGAMQHMQXILDOW-UHFFFAOYSA-N 389.416 -0.519 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N[C@@H]1CCN(c2sccc2C(=O)O)C1=O 1588693317 WIGIANCGUYDUQR-GXSJLCMTSA-N 381.410 -0.015 30 20 GBED Cn1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1C(=O)O 1600958536 FYLHJJXFXSQWHI-UHFFFAOYSA-N 377.401 -0.264 30 20 GBED C#CCN(CC(=O)O)C(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 1602682308 MGZZVDAMYRTZEU-UHFFFAOYSA-N 382.442 -0.026 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2cc(C(=O)O)ccc2[N+](=O)[O-])CC1 1602725611 DCPVERDUJOADIH-UHFFFAOYSA-N 382.398 -0.122 30 20 GBED C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1CC(=O)NC1(C#N)CCC1 1603945080 RVDHUDLUGKHFDM-GFCCVEGCSA-N 382.432 -0.270 30 20 GBED N#Cc1cn(CCC(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)c(=O)nc1O 1622096477 PJJREPGFAMUBJH-GJZGRUSLSA-N 375.429 -0.030 30 20 GBED CN1CCC[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782013890 WIJGPZQLPITLDK-JXXFODFXSA-N 391.468 -0.070 30 20 GBED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(C)C(=O)CC3)[C@H]2C1 1784981689 RFBDWVBMNACIKM-MNXVOIDGSA-N 382.486 -0.107 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1 1786807757 BSFOLZBIMWZDEI-XUXIUFHCSA-N 381.477 -0.978 30 20 GBED CS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789344077 JHKQTYPRXNJDBA-YDHLFZDLSA-N 394.453 -0.476 30 20 GBED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)C[C@@H]21 1792171832 MINJZVYVTRYYEQ-ZQIUZPCESA-N 399.451 -0.367 30 20 GBED CCNC(=S)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793261818 DAXCCPTWPGJZHC-XOIINTDNSA-N 378.498 -0.527 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n(C)n1)C2 1793354827 TUGYZPYXMZNVPX-JFILPPLUSA-N 378.429 -0.080 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2 1793362442 SIOFBYFQUCXOCO-AYDFFVQHSA-N 388.486 -0.398 30 20 GBED C=CC[C@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795632002 CBFKYIOJOOLTAS-ORDFZIBCSA-N 392.500 -0.063 30 20 GBED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(N)=O)C3)cc1 1799645194 IPGDINDVUHMKMN-SCAQPMJSSA-N 385.424 -0.376 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(F)F)no1)C2 1800776233 YNDYQECTHFCKKV-ICCCGROCSA-N 383.307 -0.097 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)[C@@H]1c1cccnc1 1802611268 BIGROBCMFGMWOU-CLCXKQKWSA-N 398.419 -0.298 30 20 GBED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CN)C3)C2)cc1 1829631961 NAHZSJDYPPJVIG-HXUWFJFHSA-N 386.452 -0.094 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835435246 OEOMGUBSOCJDQK-KSSFIOAISA-N 398.460 -0.668 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838062774 HIPBXABELRYTPC-SCLBCKFNSA-N 392.412 -0.776 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840449410 LFVQFHJYECVQIJ-CJNGLKHVSA-N 383.474 -0.557 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1840479815 DDIGVJDURYVSNG-WMLDXEAASA-N 376.417 -0.896 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O 1848068879 YZVFMBCUSIHTDE-AGIUHOORSA-N 379.417 -0.459 30 20 GBED C=CCN1CCC(NS(=O)(=O)c2cnc3c(c2)c(=O)nc(O)n3C)CC1 264404237 RHIORBBPGGONBU-UHFFFAOYSA-N 379.442 -0.037 30 20 GBED N#Cc1cccc(NC(=O)CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 265378889 QPRSPTNVICGXCZ-JKSUJKDBSA-N 378.454 -0.416 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 266580144 HVVUHWLUYGLKGA-GFCCVEGCSA-N 385.446 -0.478 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)C1=O 281579076 XYOFSAPNUDNGOO-ZDUSSCGKSA-N 399.411 -0.145 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CC[C@@H](OC(=O)N(C)C)C1)c1cc[nH]n1 296473036 QOZGTJMUJQGIMC-NUSFMGPTSA-N 381.389 -0.007 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)CN3CCCC3=O)CC2)cc1 333194424 WSJZTGJNKWIDIN-INIZCTEOSA-N 392.481 -0.152 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1=O 363190488 JAJAVKSRVDMUPK-KRWDZBQOSA-N 396.469 -0.713 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 374452330 LKFQXSCRCCUJSD-UHFFFAOYSA-N 394.519 -0.361 30 20 GBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cc(C#N)cc(N(C)C)c1 432712989 CRLMJXFPNBMXJQ-AWEZNQCLSA-N 378.454 0.000 30 20 GBED Cn1cc(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1C#N 483258809 CNOFKIDAWZSYMA-HNNXBMFYSA-N 379.486 -0.682 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1=O 726042693 MFLCFGIRFYOEPD-GTNSWQLSSA-N 378.385 -0.051 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Cc2cccc(NS(C)(=O)=O)c2)CC1 730220703 SIGBTLXHJGYDEV-UHFFFAOYSA-N 392.481 -0.506 30 20 GBED C[C@@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(CN2CCO[C@@H](C#N)C2)C1=O 736222616 IWCAWECPHVZVLU-GUYCJALGSA-N 382.384 -0.184 30 20 GBED C#CCN1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(C(N)=O)cc3)C2=O)CC1 749873318 GIRDKIHWVNTYJT-HXUWFJFHSA-N 397.435 -0.670 30 20 GBED C[C@@H](CC(=O)NN1CC(=O)N(C)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 776247029 WLAQHRSSUALESH-VIFPVBQESA-N 379.398 -0.571 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 809968241 RTWLMRRZHFNIRF-INIZCTEOSA-N 390.506 -0.653 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)CC1 831584601 NBZZVUZMMVIUEB-KFWWJZLASA-N 382.486 -0.707 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@@H](CC(=O)O)C3)CC2)o1 832994377 IRHFSCCQUNSMJN-ZDUSSCGKSA-N 377.401 -0.321 30 20 GBED CC(=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)c1cn(C)nn1 834959954 ZOBTVVUBVKCBSM-UHFFFAOYSA-N 378.462 -0.018 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)C2=C(C)N(C)c3nnnn3[C@@H]2C)CC1 847445530 AJKDDOWVTVXIJY-CQSZACIVSA-N 386.460 -0.758 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccn(C)c(=O)c2)[C@H](OC)C1 942607055 XQNLFILEZORAEZ-LVQVYYBASA-N 375.425 -0.068 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nccnc2C(N)=O)C[C@H]1OC 946822298 OWSZZNRJMXPHHT-FVCCEPFGSA-N 389.412 -0.878 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)Cc3nnc(C)o3)C[C@@H]21 960978039 NGDMGZOTCJKASQ-CBBWQLFWSA-N 376.413 -0.050 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@@H]1O 964504683 ZUPJYCAQELEJLQ-ATGSNQNLSA-N 376.413 -0.604 30 20 GBED C#CCN1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]3C2)CC1 986685033 DQLJTRQBSMXMBA-XDNAFOTISA-N 386.496 -0.240 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2C(=O)CNC2=O)nc1 1000633596 NZPRWAGFVTWUME-SNPRPXQTSA-N 381.392 -0.524 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N(C)c2nccs2)C[C@H]1O 1077699132 RTXVZXLBWVUXJA-SYQHCUMBSA-N 380.470 -0.142 30 20 GBED CC#CCN1CCC2(CC1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@@H]1COC[C@@H]12 1079260602 DYOXDWGDOZQHTR-VVLHAWIVSA-N 375.469 -0.018 30 20 GBED C#CCSCCNC(=O)C(=O)NCCNS(=O)(=O)Cc1ccccc1 1119704805 PRHIWCSWJJCKIC-UHFFFAOYSA-N 383.495 -0.295 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)c3ccccc3O)CC2)C1 1261488764 YVQYPBFNKMBUOX-IBGZPJMESA-N 386.408 -0.446 30 20 GBED CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1 1315073774 XHKBOODOYXXLIP-UHFFFAOYSA-N 395.489 -0.310 30 20 GBED COc1ccc(NC(=O)C(=O)NCCC#N)cc1S(=O)(=O)N1CCOCC1 1321361516 XZRDJJXTIBPBPD-UHFFFAOYSA-N 396.425 -0.316 30 20 GBED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)NCCCC#N)CC1 1321781380 XGUADCZDLCEPAW-UHFFFAOYSA-N 381.433 -0.398 30 20 GBED CS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1323424423 IMEDIZURNWQROO-UHFFFAOYSA-N 382.417 -0.493 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)C1 1325386617 NQIFJBMYZRVQSV-MRXNPFEDSA-N 379.392 -0.179 30 20 GBED Cn1ccc(=O)n(CCCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1=O 1326178339 SXZIFPJADLOXEA-HNNXBMFYSA-N 395.419 -0.022 30 20 GBED C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)C(=O)N(C)C 1326779640 XEXBSPKLZMGYFA-MNOVXSKESA-N 380.426 -0.096 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)NCCc2ccc(C#N)cc2)CC1 1327256688 YREBKZHPWRLTLZ-UHFFFAOYSA-N 399.451 -0.588 30 20 GBED CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 1327836801 QSJVZTUBPLBGLS-UHFFFAOYSA-N 396.473 -0.012 30 20 GBED COC(=O)[C@H]1CC(=NNC(=S)NCC(N)=O)CN(C(=O)OC(C)(C)C)C1 1328010608 REPNCQRDVJSOAA-VIFPVBQESA-N 387.462 -0.278 30 20 GBED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H]3C[C@H]2C(=O)O3)cc1 1346197736 WTWQOEPDWCIHQF-XWIASGKRSA-N 377.378 -0.163 30 20 GBED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCN(C)C1 1541803577 JPEQSMOHODSKKH-CKEIUWERSA-N 396.517 -0.015 30 20 GBED N#Cc1cc(-c2nn[nH]n2)c(N)nc1SCC(=O)[C@H]1CCS(=O)(=O)C1 1571147978 SGOQDVQCZVKEIG-ZETCQYMHSA-N 379.427 -0.189 30 20 GBED C=CCOCC(=O)NC1(CO)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1573342922 HIPMFQHGOPODDL-UHFFFAOYSA-N 389.416 -0.519 30 20 GBED COC[C@]1(C(=O)O)CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1574131531 MHIHRFLVAZWNKE-INIZCTEOSA-N 381.410 -0.325 30 20 GBED C=C[C@](C)(O)CC(=O)N1CCN(C(=O)N2CCN(Cc3cnn[nH]3)CC2)CC1 1575071860 CUXIMEYEUUOGIM-SFHVURJKSA-N 391.476 -0.486 30 20 GBED COCCN(CCNC(=O)c1c[nH]c(C#N)c1)c1cncc(-c2nn[nH]n2)n1 1579800031 BEHLMWFGOYUFES-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588351472 WFKWSCCHWJQNCF-HIFRSBDPSA-N 382.428 -0.377 30 20 GBED C=CCC1(C(=O)NCCn2cc(-c3nn[nH]n3)c(O)nc2=O)CCOCC1 1588552765 CNTXYGAZDLOJCS-UHFFFAOYSA-N 375.389 -0.382 30 20 GBED C=CCNC(=O)NC(=O)CN1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 1588658833 VGQXIMRDUAPNAL-UHFFFAOYSA-N 384.444 -0.004 30 20 GBED C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1CNCC(=O)NCC#N 1590268041 TZMHTXVFBMZJOQ-WCQYABFASA-N 385.432 -0.478 30 20 GBED COCCN(CC#N)C(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1591421599 DQPWSPKDGQWNRK-UHFFFAOYSA-N 379.402 -0.856 30 20 GBED Cn1c(N2CCN(c3ccsc3C#N)CC2)c(-c2nn[nH]n2)c(=O)n(C)c1=O 1592553344 NKXVTGYNTHZMIN-UHFFFAOYSA-N 399.440 -0.476 30 20 GBED N#CCNC(=O)CNCCC1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1592678085 ONTWOLPGWAFQMX-UHFFFAOYSA-N 385.432 -0.334 30 20 GBED N#Cc1cc(NC(=O)C(=O)NCCn2cnc(-c3nn[nH]n3)n2)ccc1Cl 1592689527 JDDFTDDFAIEECY-UHFFFAOYSA-N 386.763 -0.262 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1O 1602727488 OJMXPBUHMBWHDV-LYRGGWFBSA-N 388.403 -0.295 30 20 GBED C#Cc1ccccc1CC(=O)NC[C@H](O)CNc1nccnc1-c1nn[nH]n1 1602743473 XHGZQEVSBPNNOP-AWEZNQCLSA-N 378.396 -0.230 30 20 GBED CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)C#N 1617392970 ODXHWSXTKPIVOB-VXGBXAGGSA-N 383.478 -0.236 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781424333 LLIIYJHRKUVYNY-YOEHRIQHSA-N 378.433 -0.091 30 20 GBED CCOC(=O)O[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782713655 WOCKAFGMRDJGER-PXAZEXFGSA-N 382.369 -0.534 30 20 GBED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]3C2)C1 1786886470 YAUBPSWUZSHOKA-HNKHHVNMSA-N 378.473 -0.475 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C[C@@H]21 1790793993 RSLNZALVKYGQIN-ZVZYQTTQSA-N 385.468 -0.055 30 20 GBED CNC(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797836924 JYHNVEORVTVZEX-NBPXQOPSSA-N 376.413 -0.576 30 20 GBED COC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1797966389 OHMIJNGRHMEXBZ-DFGXFYAUSA-N 377.441 -0.860 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)C=CC2=O)CCC1 1801120482 GVNMSXIBKOSZBR-FVCICTRLSA-N 386.408 -0.805 30 20 GBED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2)n1cnnn1 1801434371 DSNQYBPFEGGDIJ-VYCZESIESA-N 394.435 -0.125 30 20 GBED N=C(N)SCC(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1807009697 SHMGCICBZLQTBB-LRDDRELGSA-N 389.437 -0.198 30 20 GBED CC(C)CNC(=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1817329912 ACPUUOTWPRDGCP-SNVBAGLBSA-N 392.437 -0.085 30 20 GBED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@H](N)C(N)=O)CC2 1826015206 JITAIUFZMMWIIP-CIUDSAMLSA-N 385.515 -0.034 30 20 GBED N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)c1ccccn1 1831213697 ZNDWSXIPFPLSKG-PZJWPPBQSA-N 398.463 -0.049 30 20 GBED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1831690773 PVVQGVFRMATJIR-GOSISDBHSA-N 380.445 -0.481 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCC4=O)C3)C2)CC1 1835343021 XYSSKEGHPGPNHV-IBGZPJMESA-N 390.440 -0.631 30 20 GBED CC[S@@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835344617 MMYBUFOSABHNGD-DNOBIOAJSA-N 397.497 -0.095 30 20 GBED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)nn1 1838351966 DJDWDVLYFVDRSK-PXAZEXFGSA-N 396.469 -0.127 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839862084 RQQDHVHQBXYFNY-KSSFIOAISA-N 383.445 -0.701 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)cn3)C2)C1 1840041277 BRXFEYHCHCLMET-GOSISDBHSA-N 391.355 -0.621 30 20 GBED CC(C)/N=C(/NC[C@@H]1CCS(=O)(=O)C1)NC[C@H]1CCCN1S(C)(=O)=O 262427196 RVCNXWVYDBIXOO-UONOGXRCSA-N 394.563 -0.211 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCN2C(=O)c3ccccc3C2=O)C1=O 286796647 KDCUSKIYTPSTAD-UHFFFAOYSA-N 398.375 -0.234 30 20 GBED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C/N=C(/O)c2cccnc2)CC1 330160456 RDHBZCRXPWTJRB-OAHLLOKOSA-N 389.456 -0.222 30 20 GBED CC1(CO)CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccc2C#N)C1 349476545 HGMWJKFQILSYGW-UHFFFAOYSA-N 388.471 -0.271 30 20 GBED CO[C@@H]1[C@H]2C[C@@H]3CN(S(=O)(=O)CCCS(=O)(=O)NCC#N)[C@@H]1[C@H]3C2 349478694 KYKBEEFLAVNQGM-MEBFFEOJSA-N 377.488 -0.496 30 20 GBED C[C@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)CCCS(=O)(=O)NCC#N 349487656 XRNUKVGINAUUAL-KBPBESRZSA-N 378.520 -0.292 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1CC[C@]2(CCOC2)C1 349609044 HPXNAFMBCXXGRT-AWEZNQCLSA-N 379.504 -0.006 30 20 GBED Cn1c(N2CCN(S(C)(=O)=O)c3ccccc3C2)c(C#N)c(=O)n(C)c1=O 378321262 XFAUMZYCZDZCJW-UHFFFAOYSA-N 389.437 -0.258 30 20 GBED N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)N3CCO[C@H](C#N)C3)C2=O)cc1 410388293 PVFWVGHNFBWCEI-CVEARBPZSA-N 389.437 -0.282 30 20 GBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cc(C#N)cc(N(C)C)c1 432712990 CRLMJXFPNBMXJQ-CQSZACIVSA-N 378.454 0.000 30 20 GBED COCCNC(=O)Cn1cc(NC(=O)C(=O)NCCc2cccc(C#N)c2)cn1 440108960 RFJIADXXSRQPNF-UHFFFAOYSA-N 398.423 -0.185 30 20 GBED COC(=O)[C@@H](O)C1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 539239705 JQDZNERNZYCJSL-AEFFLSMTSA-N 380.489 -0.075 30 20 GBED C[C@@]1(C(N)=O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1 569709033 YKIGNISGEIZTEW-CQSZACIVSA-N 386.455 -0.626 30 20 GBED N#CC1(NS(=O)(=O)c2ccccc2S(=O)(=O)N[C@@H]2COC[C@H]2O)CC1 576717279 FSVVITHTUIURFI-GHMZBOCLSA-N 387.439 -0.941 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](CC(N)=O)C1 600679379 IXAXSKBHTRMMQO-YPMHNXCESA-N 380.426 -0.672 30 20 GBED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)nc12 750728025 BPVYVRFWBOTOQO-JTQLQIEISA-N 392.379 -0.110 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(OCC(=O)N(C)C)C2)cc1 752476326 QGKYHABIRYGYLI-UHFFFAOYSA-N 379.438 -0.473 30 20 GBED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)C(=O)OC 763258959 IOBFPXYNXGGQBQ-OLZOCXBDSA-N 397.453 -0.066 30 20 GBED CCOCCNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767626122 GGPOVYMENRRJJL-GFCCVEGCSA-N 383.426 -0.079 30 20 GBED COc1ccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(OC)c1 771898361 XOSBTKWIZKFSST-UHFFFAOYSA-N 396.425 -0.196 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(n3cc(C(=O)O)nn3)C2)c1 780313428 HUKSBCNXRZIXEZ-UHFFFAOYSA-N 389.393 -0.415 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)[C@@H](C)CN2CCOCC2)c1=O 788376516 HHEOFAYYXUSMHG-HNNXBMFYSA-N 379.461 -0.846 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1)[C@H]1CCCO1 804910984 GHYOVFBYOCSWKH-JKSUJKDBSA-N 394.449 -0.118 30 20 GBED C#CCCCS(=O)(=O)NCCN1CCN(S(=O)(=O)CCCC#C)CC1 808309694 PLZGPGSDPRSVGH-UHFFFAOYSA-N 389.543 -0.320 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)[C@@H]1CCCO1 809308404 KXTZRJTWUXBHID-SJORKVTESA-N 390.484 -0.560 30 20 GBED C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCCO1 821715158 YQMHNCKPGPSZRW-NWDGAFQWSA-N 395.437 -0.048 30 20 GBED CCN(OC)C(=O)CNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 834336167 FBBWUCBVZQFYAJ-UHFFFAOYSA-N 385.384 -0.088 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)OC)cc1 848638253 DMUHPJDIIAIBDU-GFCCVEGCSA-N 399.450 -0.326 30 20 GBED C#C[C@H](C)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N=c1nc(C)[nH]n1C 848956226 OGGVEUMHFZGLBJ-NSHDSACASA-N 397.482 -0.012 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)c1 855472615 ZRXTYRWKZINKSN-KGLIPLIRSA-N 386.451 -0.860 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 875596895 VSWYESXQDGVOLO-CVEARBPZSA-N 378.473 -0.704 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCCCn2ccnc2C)CC1 893190293 CZMGJYXKGOKYGI-UHFFFAOYSA-N 382.490 -0.233 30 20 GBED COCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 916870875 NJNSJQNLGZKADJ-LBPRGKRZSA-N 399.425 -0.224 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)Cn3cnnc3O)C[C@@]2(C)C1 993454397 ZETWVRNZJFXZTH-ZXTQRBJTSA-N 375.429 -0.118 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1O 1023942851 RKNCKNGZNWIRRX-BORJPKMPSA-N 379.457 -0.332 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnc3c2CC(=O)N3)C[C@H]1O 1025709029 CGNFXFNONWOVHC-NGFQHRJXSA-N 386.408 -0.531 30 20 GBED Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(C#N)n2)c(=O)n(C)c1=O 1055101273 GOOBJYBIMQKCOZ-WXHSDQCUSA-N 381.396 -0.715 30 20 GBED Cn1c(=O)ccn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(C#N)n2)c1=O 1055464676 CWWHSFYBJPMPOU-UPJWGTAASA-N 381.396 -0.865 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@H]1C 1080589681 GOELGUWETOMYAL-OLMMMNRUSA-N 392.500 -0.247 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnc3n2CCOC3)C[C@H]1OC 1082146412 DGPZTCXSPAHSNP-APIJFGDWSA-N 377.445 -0.285 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cncc(-n2ccnn2)c1 1110858545 FHSKOSKHCFWMHU-BMFZPTHFSA-N 380.412 -0.363 30 20 GBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 1118116321 SQGLAOCGGRJUTH-JKSUJKDBSA-N 375.473 -0.048 30 20 GBED C#CCCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)n1 1130234615 DVPRNNNNPVKGQA-XQLPTFJDSA-N 388.472 -0.369 30 20 GBED C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCC#Cc2ccccc2)C[C@H]1O 1196251625 MVDFVYRQZUTPNX-UIXUWTQFSA-N 385.464 -0.259 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC(=O)NCCC)C[C@@H]1O 1220524449 SPAFFYAWFGESDP-FQLMCAECSA-N 382.461 -0.635 30 20 GBED CCN1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 1261926797 WVQDCDZZCYMWPM-HOTGVXAUSA-N 397.435 -0.488 30 20 GBED C=C(C)Cn1c([C@H]2CC(=O)N(C)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1263295362 WVEQVFIMFSCBJU-ZDUSSCGKSA-N 382.490 -0.119 30 20 GBED CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1293113847 PCGHPEBQWBHMMC-RHSMWYFYSA-N 394.501 -0.433 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2nnc3n2CCOC3)cc1 1297304363 WGDKWHUZUGQGOT-UHFFFAOYSA-N 375.410 -0.089 30 20 GBED CN(C)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1298003218 FYKDRAYWQRTRAY-KGLIPLIRSA-N 386.460 -0.506 30 20 GBED CNS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1299305946 JUWDIGQACSADMG-ZDUSSCGKSA-N 377.430 -0.382 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CCC[C@@]2(C)NC(=O)NC2=O)CC1 1319404862 ZEKSIICYCWIAFG-GOSISDBHSA-N 377.445 -0.962 30 20 GBED C#CCSCCNC(=O)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 1321409319 JDBSTCHQSNPCJX-UHFFFAOYSA-N 375.516 -0.163 30 20 GBED CNC(=O)CCCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1323346783 AFWJJIWPGBENDC-HNNXBMFYSA-N 385.424 -0.188 30 20 GBED COCCCNC(=O)C1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1326530556 JBQSCHBPNLESPU-GOSISDBHSA-N 380.445 -0.745 30 20 GBED N#CC1(c2ccccn2)CCN(C(=O)C(=O)NCCN2C(=O)CNC2=O)CC1 1326643035 LWHLMNBENDNOFQ-UHFFFAOYSA-N 384.396 -0.867 30 20 GBED CN(CCNS(C)(=O)=O)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1328176318 DNFXZNPMCBZEAI-UHFFFAOYSA-N 388.471 -0.500 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCO[C@H](C(F)F)C3)CC2)c1C#N 1329718340 GDSZWVURPUVXLO-ZDUSSCGKSA-N 396.398 -0.259 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 1335330724 XTGDBTXXXSCBAJ-FOCLMDBBSA-N 382.442 -0.461 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC23CCS(=O)(=O)CC3)CC1 1338387372 IMMPTNQZYWRALK-OAHLLOKOSA-N 381.498 -0.515 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)c2OC)CC1 1340072917 KYHQVMADZISPIY-UHFFFAOYSA-N 386.408 -0.279 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F 1573288980 ZOHOZISTNJMBOE-SMDDNHRTSA-N 376.392 -0.389 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@]1(O)CCN(c2nc(C)cc(-c3nn[nH]n3)n2)C1 1588358204 VGLBSGLLECVNGL-SJKOYZFVSA-N 386.416 -0.939 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C)C[C@@H](C(=O)O)C1 1593338707 BGUKHDUIBXDVTF-TZMCWYRMSA-N 394.453 -0.300 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O 1602886343 PVHDEFPYLFSZNY-ZRJCITRHSA-N 387.400 -0.913 30 20 GBED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCNC(=O)[C@@H]1CC(=O)O 1610559327 GTDMNUPUDHNUOF-AWEZNQCLSA-N 384.396 -0.048 30 20 GBED CN1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)CC1 1778257000 GTWAQFBKXFTFOB-IBGZPJMESA-N 377.489 -0.387 30 20 GBED CN1CCN(C2(C(=O)N3CC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)CC2)CC1 1781107778 ZBFPIEKRPOHJTO-LJQANCHMSA-N 389.500 -0.100 30 20 GBED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)CCC1 1785369328 APWPNWOEBVNHNU-LJQANCHMSA-N 386.408 -0.565 30 20 GBED CC(=O)O[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)C(C)C 1788479639 LHPHTHZSLKVYEY-YRBFXIGRSA-N 394.424 -0.358 30 20 GBED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)nn3)[C@H]2C1 1790590211 VNUUUCBUQAARLL-VOAKCMCISA-N 396.469 -0.141 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCSC(=N)N)C2 1793342831 UYNHRCDZEGYGMB-XPCVCDNBSA-N 382.486 -0.369 30 20 GBED COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083295 AWNXNJSAWVDNFZ-JLVBRIDZSA-N 383.445 -0.441 30 20 GBED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C(=O)O 1800262881 DLNCOUFZHBVWFN-GUIRCDHDSA-N 381.429 -0.669 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCC(=O)O 1801020295 FOIDBBZBKDUAOF-JFILPPLUSA-N 384.454 -0.568 30 20 GBED N#CCC(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804344079 MAFBVEPELGJVKV-XJKCOSOUSA-N 384.396 -0.401 30 20 GBED COC(=O)NCC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812883042 URKTVDRAVYHSHI-SUMWQHHRSA-N 388.380 -0.469 30 20 GBED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1831208262 KCOPQOYDYVQEMH-FQEVSTJZSA-N 384.436 -0.111 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833224851 LIXVBDUWJOBSOU-KDOFPFPSSA-N 393.444 -0.524 30 20 GBED C[C@@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834755859 FDHSUIQLIAMGLY-YJBOKZPZSA-N 375.429 -0.111 30 20 GBED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)N(C)C)CCO2 1835426568 DMDNAISJOMDNOG-LJQANCHMSA-N 397.472 -0.486 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cncn1)CCO2 1836139715 SALFCBPADASPDA-GOSISDBHSA-N 375.429 -0.462 30 20 GBED CCn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840041585 VVZVSUHNBJBRSJ-GOSISDBHSA-N 390.396 -0.939 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1840165714 HRJWGSZUCTYKSO-XJKSGUPXSA-N 383.474 -0.557 30 20 GBED C=CCS(=O)(=O)CCNC(=O)NCCNS(=O)(=O)c1cccs1 273010595 VCZWZKCACOHWHE-UHFFFAOYSA-N 381.501 -0.074 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1)c1cc[nH]n1 278102607 ZPQBPKXJLBEHJQ-OGAOFSLMSA-N 398.441 -0.128 30 20 GBED COCCN1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1=O 290454240 UVVJXTLKMAOORW-UHFFFAOYSA-N 380.426 -0.846 30 20 GBED COCCCS(=O)(=O)NCC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 292270882 SEUJXOPYYQDGEC-CQSZACIVSA-N 382.442 -0.111 30 20 GBED CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 292478459 BQBABULHPAHIEE-CQSZACIVSA-N 396.473 -0.052 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)NCCCNS(C)(=O)=O)ccc1F 298430277 WVMXZJKXIXEGGQ-UHFFFAOYSA-N 393.462 -0.041 30 20 GBED C[C@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 299543880 OAIALWUINWWNLI-ZETCQYMHSA-N 385.409 -0.250 30 20 GBED Cc1cccn2c(=O)c(/C(O)=N/[C@H](C)C(=O)N3CCS(=O)(=O)CC3)cnc12 329138453 DUIRLPLIQSMXMF-GFCCVEGCSA-N 392.437 -0.047 30 20 GBED CC(=O)N1CCN(C(=O)CC/N=C(/O)N2CCS(=O)(=O)C(C)(C)C2)CC1 329774130 LZKIDTMQTCCSSO-UHFFFAOYSA-N 388.490 -0.510 30 20 GBED CN(/C(O)=N/C[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CCN(S(C)(=O)=O)C1 330233695 YARKSVOVXXCGQR-VXGBXAGGSA-N 382.508 -0.710 30 20 GBED COCCNC(=O)CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 371734744 HGJYLJRBQQYOFW-UHFFFAOYSA-N 388.359 -0.300 30 20 GBED COc1ccc(CCN2C[C@H](C(=O)NCC(=O)NCC#N)CC2=O)cc1OC 376195441 BYTZXCYVRATXQH-CQSZACIVSA-N 388.424 -0.149 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCCNS(=O)(=O)c2cccs2)CCO1 409509635 QMJNQMBRUYFSFY-JTQLQIEISA-N 380.473 -0.915 30 20 GBED N#Cc1ncn(CC(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)n1 426592439 YNZQSJFPHWWCAP-UHFFFAOYSA-N 385.403 -0.137 30 20 GBED COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C#N)cc1OC 445070834 BTVDXLIBFPZYMK-NSHDSACASA-N 388.423 -0.472 30 20 GBED CN(C)CCOCCNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 517052377 WSYNIZBSRNMTEP-UHFFFAOYSA-N 387.484 -0.103 30 20 GBED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(C)C 563732674 OCIHDLBPMARLPX-GVDBMIGSSA-N 391.516 -0.428 30 20 GBED COc1cncc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 571289618 FIWDTJAZLGGQHU-CQSZACIVSA-N 394.391 0.213 30 20 GBED Cc1nc(=NS(=O)(=O)c2ccccc2S(=O)(=O)NC[C@H](C)C#N)n(C)[nH]1 594633087 RONPURCPBOIKQB-SNVBAGLBSA-N 398.470 -0.216 30 20 GBED N#CC1(NS(=O)(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCC(=O)N3)c2)CC1 595956288 MAGWUCKRYAGIPB-NSHDSACASA-N 398.466 -0.422 30 20 GBED CN1CCC(C#N)(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 603885003 MOLKZKPQJOVFEE-UHFFFAOYSA-N 395.485 -0.236 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1=O 606886218 BYZKJLLKOIUQGQ-UHFFFAOYSA-N 386.290 -0.384 30 20 GBED N#Cc1ccc([C@H](N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C(=O)O)cc1 739104550 BRHFDUIIGXVIPR-OAGGEKHMSA-N 379.438 -0.229 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 746215845 RCKQTUCGHOHAQN-OAQYLSRUSA-N 384.480 -0.483 30 20 GBED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)N2CCOCC2)c1 765080805 UOQOLLXUOLMATB-UHFFFAOYSA-N 393.465 -0.090 30 20 GBED C[C@H](CC(=O)OCCN1CCOCC1=O)/N=C1/NS(=O)(=O)c2ccccc21 785310275 MRWSGOWSXWZJSZ-GFCCVEGCSA-N 395.437 -0.094 30 20 GBED C[C@](C#N)(NC(=O)COC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1 785654580 GJSQGLMDRQFCEP-AUUYWEPGSA-N 392.456 -0.481 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2nnn(Cc3ccncc3)c2C)CC1 796120768 FQCDOBMKQCCAGS-UHFFFAOYSA-N 381.440 -0.463 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)nnn3C)CC1 827108166 GUXFDVOEYXWQCL-UHFFFAOYSA-N 376.442 -0.976 30 20 GBED C#CC[C@H](NC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)OC 843906395 NSFYEEUTRHJARI-HNNXBMFYSA-N 395.437 -0.006 30 20 GBED C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C[C@@H](CO)O1 867582434 VKOLUXXNWBGKQM-BBRMVZONSA-N 390.415 -0.046 30 20 GBED O=C(C(=O)N1CCN(C(=O)c2cccc(C#CCO)c2)CC1)N1CCOCC1 900040466 XGPGAWDNQWGDRG-UHFFFAOYSA-N 385.420 -0.826 30 20 GBED COCCNC(=O)[C@@H](C#N)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 916892897 SDUWAYOBUWYDQI-HNNXBMFYSA-N 384.392 -0.470 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CC(=O)N(C)C 918729962 LTGRDIORZKHIII-UHFFFAOYSA-N 396.472 -0.197 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1O 1023960820 VNVUVSCOSLDJKE-FPCVCCKLSA-N 375.425 -0.483 30 20 GBED C#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 1070026057 ZEDGFCANUUOHMV-LTIDMASMSA-N 386.456 -0.577 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN(C)C(C)=O 1108956964 FDMSSPDMEZTUFQ-RZFFKMDDSA-N 379.461 -0.414 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H](C)NC(=O)CC 1110588845 QSGGPLUCVLTOOS-DGAVXFQQSA-N 379.461 -0.366 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 1116561403 VPKZZHBNDKJUEN-UHFFFAOYSA-N 392.437 -0.138 30 20 GBED Cn1cc(C#N)cc1-c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1C 1263540074 QMBGAIWTVAHQTK-UHFFFAOYSA-N 396.455 -0.037 30 20 GBED Cc1oc(NC(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(C#N)c1C 1319451093 JTOCCVQFNHVOPD-GJZGRUSLSA-N 396.469 -0.518 30 20 GBED CCn1c(S)nnc1CCNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1328041221 LDFKWPCFKJYVFI-OUKQBFOZSA-N 379.446 -0.045 30 20 GBED Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 1331036912 QHBLJIUNWVGPLC-QGZVFWFLSA-N 384.436 -0.041 30 20 GBED Cc1cnn(C)c1C=c1sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c1=O 1340937524 AEYTXCDYYDMRCP-UHFFFAOYSA-N 377.451 -0.977 30 20 GBED C=C(C)Cn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1C(C)(C)COC 1343006632 DOLIYFHSIKMHRL-ZDUSSCGKSA-N 376.461 -0.075 30 20 GBED C[C@H](C[S@@](C)=O)NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1343056039 YMVCOOZGNYLQLY-DYTRLKRPSA-N 378.458 -0.731 30 20 GBED C#CCN(CCOC)c1nnc([C@@H]2COCCN2)n1CCNC(=O)C1CC1 1574667156 NMKOQOUIKRNNAN-HNNXBMFYSA-N 376.461 -0.449 30 20 GBED C=CCN1CC[C@@H](N[C@H](CO)CNC(=O)c2ccc(-c3cnn[nH]3)nc2)C1=O 1575103643 HCSZLROOKKIBHB-DZGCQCFKSA-N 385.428 -0.666 30 20 GBED COCCC1(NC(=O)C#CC2CC2)CCN(CC(=O)NCc2cnn[nH]2)CC1 1576989045 YGYDMQCCVTUPBP-UHFFFAOYSA-N 388.472 -0.178 30 20 GBED N#Cc1ccc(NC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCO2)nn1 1581873662 LAJRTKQFXCRCKZ-LLVKDONJSA-N 380.372 -0.190 30 20 GBED N#Cc1ncc(N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)nc1-c1nn[nH]n1 1581883264 UGIPAMYFSGYEEJ-NWDGAFQWSA-N 376.384 -0.117 30 20 GBED C#CCO[C@H](C)C(=O)NC1(CO)CCN(c2nccnc2-c2nn[nH]n2)CC1 1588355229 GEPDFOQXZCYEEW-GFCCVEGCSA-N 386.416 -0.858 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@H]2O)c1 1588379882 PRSGKHONRGURQQ-HUUCEWRRSA-N 394.370 -0.243 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@H]1COCCN1c1nc(C)cc(-c2nn[nH]n2)n1 1588504746 LUPBFXRSENVDBY-YVEFUNNKSA-N 388.432 -0.386 30 20 GBED C=CCOCCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O 1588682323 MDMYPPHUOGVVJS-OLZOCXBDSA-N 388.432 -0.305 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N[C@@H]1CCN(c2sccc2C(=O)O)C1=O 1588693319 WIGIANCGUYDUQR-MWLCHTKSSA-N 381.410 -0.015 30 20 GBED C=C(C)[C@@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O)OCC 1602753715 SDUSQDLWETYGCN-MGPQQGTHSA-N 388.432 -0.306 30 20 GBED C=CCOC[C@@H](NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(O)nn1)C(=O)O 1609432293 MYBRCMQBXBXZJF-OLZOCXBDSA-N 378.385 -0.051 30 20 GBED CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCO3)C2)CC1 1778114847 ZSBZHXDNQDBBQA-QGZVFWFLSA-N 398.485 -0.598 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1778969776 SDLYCMULVSXLLR-LPMFXHHGSA-N 379.457 -0.332 30 20 GBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781355639 PUJREUSMBOXWRL-AUUYWEPGSA-N 395.456 -0.275 30 20 GBED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)n1ccnn1 1782015606 VGGAMMVQGWKLQD-HBUWYVDXSA-N 389.412 -0.559 30 20 GBED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC=O)C[C@@H]21 1789958852 ZYADFFBUYWKQTC-QRJUGERDSA-N 382.461 -0.099 30 20 GBED C=CC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1790826097 NVVCHCPCIUGTLX-AJNGGQMLSA-N 392.456 -0.270 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1794209103 DUECVZNZSVWSDP-NDKCEZKHSA-N 392.456 -0.204 30 20 GBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N1CCCC1 1796439825 DPSQBAABLAVTIR-JLVBRIDZSA-N 397.497 -0.585 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc3cnccc13)C2 1800777989 ORJKOCLKMXFGCI-HBCWATKFSA-N 394.387 -0.079 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccncc13)C2 1800778401 SWCNFLFKFGMVHH-DPIQGUFMSA-N 383.364 -0.980 30 20 GBED N#CCC(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804185820 KJYRXIJOHLSHPT-DYVFJYSZSA-N 384.396 -0.447 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC(=O)NC4)C3)C2)C1 1829661371 XDSWNQPEMKWKQO-FOIQADDNSA-N 391.468 -0.065 30 20 GBED N#CCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833512097 LELPURLGYWQLLX-HNNXBMFYSA-N 377.445 -0.030 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnsn3)CCO2)C1 1833522866 GIWOOVZDUYXKBB-DYVFJYSZSA-N 394.453 -0.354 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1834769068 YXRCWYGTPUYMHB-AWEZNQCLSA-N 392.334 -0.965 30 20 GBED Cc1ccn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)n1 1835340885 IIDORXCXLGZXSS-LJQANCHMSA-N 387.440 -0.048 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)C1 1836203961 UQTWCSRFKOCRFL-SFHVURJKSA-N 375.429 -0.299 30 20 GBED CCC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839829264 SSBZQUDJEVOHFX-IBGZPJMESA-N 394.472 -0.296 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1839838066 GVHMZTCARNJSRU-KXBFYZLASA-N 396.488 -0.074 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839867419 JWKURUTTXIDBEU-XUWXXGDYSA-N 399.513 -0.467 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1840167231 DVARWNQARFNJBT-SFHVURJKSA-N 375.429 -0.462 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1840842282 ZHMNBICTSFIZIU-LJQANCHMSA-N 379.457 -0.372 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2 1845188034 WVZOZMYOQLIAOS-ZDUSSCGKSA-N 380.445 -0.708 30 20 GBED C[C@@](C#N)(NC(=O)CN(CC(=O)N[C@@](C)(C#N)C1CC1)S(C)(=O)=O)C1CC1 47613857 JTGHVANWTUTEAM-IRXDYDNUSA-N 395.485 -0.135 30 20 GBED C=CCNC(=O)NC(=O)Cn1c(=O)c(I)cn(C)c1=O 93905216 HVGWFTYLOOALLH-UHFFFAOYSA-N 392.153 -0.837 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O 268829278 VWBGSGIHRFPPEE-QMTHXVAHSA-N 390.421 -0.369 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCCOC)C1=O 270134312 OJFDEMXKTYNJCJ-LBPRGKRZSA-N 382.417 -0.743 30 20 GBED COCCN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1=O 271146010 YMAHLQFXTZSESM-ZDUSSCGKSA-N 394.453 -0.458 30 20 GBED CN(C)S(=O)(=O)c1ccc(OCCn2c(=O)c(C#N)cn(C)c2=O)cc1 294986004 PUTUWKCBOSOADQ-UHFFFAOYSA-N 378.410 -0.252 30 20 GBED CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncc(C(N)=O)s1 349466578 ZZKCXZGYOYDVIY-UHFFFAOYSA-N 394.500 -0.341 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 349473984 JCMGJQDIYWRMLG-FSKVPOERSA-N 391.515 -0.419 30 20 GBED CN1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N[C@]2(C#N)CC2(C)C)CC1=O 349610968 DWUGANOWDQEKFY-FZMZJTMJSA-N 392.503 -0.862 30 20 GBED CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1 375004714 KQKSGEYJIZSGMU-ZDUSSCGKSA-N 396.473 0.203 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CNCCO3)CC2)c(Cl)c1 420206603 SQCODLNJSHUNRC-AWEZNQCLSA-N 391.859 -0.035 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(NC(N)=O)CC1 482415345 ZKJFGRLWOFHTPY-LLVKDONJSA-N 379.442 -0.116 30 20 GBED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 485831973 QSIOHWLNPWGUBV-AWEZNQCLSA-N 381.396 -0.087 30 20 GBED N#Cc1cn(C2CN(C(=O)CNC(=O)c3ccc4c(c3)OCO4)C2)c(=O)nc1O 530265824 JAMUBEHWOBQLOU-UHFFFAOYSA-N 397.347 -0.637 30 20 GBED CN(C(=O)CN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C1(C#N)CCCCC1 532709295 ZWZZLKFXGQDYPD-HOTGVXAUSA-N 398.529 -0.241 30 20 GBED CS(=O)(=O)c1ccc(N2CCN(CC(=O)NCC#N)CC2)c([N+](=O)[O-])c1 533354778 XGYHGNQDKZVTDA-UHFFFAOYSA-N 381.414 -0.240 30 20 GBED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)NC[C@H]1COc2ccccc2O1 560078721 YUZSUNITFZLADJ-NSHDSACASA-N 394.409 -0.100 30 20 GBED N#Cc1ncccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 562911657 KVSYTYSNJHVRLX-UHFFFAOYSA-N 382.427 -0.628 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(OCCOC)nn2)C1=O 563397785 WJKHBRFZCDGAAJ-UHFFFAOYSA-N 377.357 -0.905 30 20 GBED C[C@H]1[C@@H](C)N(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCS1(=O)=O 571212955 CJCOKDPEIIXYEB-NEPJUHHUSA-N 385.467 -0.129 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@]2(O)CCOC2)c1 579376089 FUSKZEQZGPJVCB-FZMZJTMJSA-N 389.455 -0.693 30 20 GBED CN1CCN(S(=O)(=O)CCCC#N)C[C@@H]1CNS(=O)(=O)CCCC#N 579481938 WGIMGEGJWBTTHC-AWEZNQCLSA-N 391.519 -0.541 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)CC[C@@H]2C1 580329409 WQMZLDYDMUSITK-GFCCVEGCSA-N 392.503 -0.766 30 20 GBED C=CCNC(=O)NC(=O)CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 603661796 KSHKNLRBTBNSJV-UHFFFAOYSA-N 381.458 -0.532 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 646954073 QKDCPJAAAUZMPQ-HNNXBMFYSA-N 393.465 -0.250 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 745387516 OOQQIVCBPWZAIL-BXUZGUMPSA-N 385.376 -0.402 30 20 GBED C#CCOc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 773239134 ZSBHKXAKLVOFSH-UHFFFAOYSA-N 394.453 -0.412 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 775551230 UTSPKUKCWFKLNQ-OAHLLOKOSA-N 389.441 -0.015 30 20 GBED C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 798488275 KXWMGHSJSOUTHR-PIGZYNQJSA-N 395.437 -0.198 30 20 GBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 799287405 UFSLVXAZXRBXCX-OAHLLOKOSA-N 386.452 -0.097 30 20 GBED C#C[C@H](Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[C@@H]1CCCO1 804621993 NEZIRYPMVDBLLF-GTAFEMJLSA-N 375.385 -0.970 30 20 GBED CC#CCS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 810775450 GVUJDPQBCHMJOP-UHFFFAOYSA-N 386.451 -0.369 30 20 GBED C[C@H](C(=O)NCc1ccc(C(=O)NO)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 819552268 RSDKPNYLHBUPKB-WMESBKTJSA-N 387.392 -0.027 30 20 GBED C=CCOCCNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[nH]n3)cc2)n1 823925994 UWXZNVODMJSDQX-UHFFFAOYSA-N 397.399 -0.236 30 20 GBED N#Cc1cc(-c2nn[nH]n2)c(SCC(=O)N[C@@H]2CCSC2=O)nc1N 826383760 OYZSGKZGIPQAIN-MRVPVSSYSA-N 376.427 -0.044 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 828672438 CVTCDVJPNZGNGI-AWEZNQCLSA-N 375.429 -0.470 30 20 GBED CCOC(=O)CON=C(C(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O)c1cc[nH]n1 837254962 UEMKQGUIPGBLPM-WCQYABFASA-N 377.401 -0.037 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@]1(C)CCOC1=O 848955808 IALPXFUECYCRKT-CQSZACIVSA-N 387.439 -0.185 30 20 GBED C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)N=c1nc[nH]n1C(C)C 848960499 CMQDQZHYZNBYCM-GFCCVEGCSA-N 377.492 -0.304 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@@H]1O 964489586 KJYKBRGPRAZTHO-YVVXQTMVSA-N 375.425 -0.332 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@@H]1CC 985516175 QAYBEWAUWCLCGR-OSRDXIQISA-N 390.444 -0.536 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2nnc(O)nc2O)nc1 1004569224 DEEXPNDDZDFJFY-RTXFEEFZSA-N 380.364 -0.165 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3c(c2)nnn3C)C[C@H]1O 1025712622 VHSDHFHMKFXMBE-WNOSKKOXSA-N 385.424 -0.139 30 20 GBED C=CCCCN1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H]2CS(=O)(=O)C[C@@H]21 1108482114 SNMJSKCXBPBEMK-LJISPDSOSA-N 385.486 -0.705 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCCS(=O)(=O)C1 1109175591 RUTLUFXMFFOTHY-WCVJEAGWSA-N 381.498 -0.328 30 20 GBED O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCN/C(O)=C1/N=CC=CC1=O 1318695024 SDOUTPNZENOMLH-MDSKPNNTSA-N 384.392 -0.564 30 20 GBED CCN1CC[C@H](N(C)C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1322694049 MRBAQNUFUKVLIV-HJPHCXOUSA-N 391.472 -0.040 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCc1ccc2c(c1)OCCO2 1327539173 ILESCZSTWDKWPB-UHFFFAOYSA-N 382.438 -0.167 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)C1 1328269687 CWPLEPYRKADMEC-IAGOWNOFSA-N 382.486 -0.812 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 1342120994 LKLZMUAJAVPGHX-HNNXBMFYSA-N 390.465 -0.100 30 20 GBED CN(C)S(=O)(=O)N1CCN(c2nnc(-c3ccnc(C#N)c3)n2C)CC1 1349921640 OURITOCOBPHBEH-UHFFFAOYSA-N 376.446 -0.323 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2CCCc2ccsc2)CC1 1350718354 AVKNJFGGMPYELI-UHFFFAOYSA-N 395.514 -0.043 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CCCCCC(=O)O)CC1 1573311580 UJYNWXQXXGSHAP-UHFFFAOYSA-N 381.476 -0.954 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCCOCCN(C)c1cncc(-c2nn[nH]n2)n1 1573350488 CJSBXFUZYILDKY-OCCSQVGLSA-N 388.432 -0.183 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2snc(C)c2-c2nn[nH]n2)C[C@@H]1O 1588504178 JQNSWYHFBKOVGQ-FTGAXOIBSA-N 379.446 -0.376 30 20 GBED Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)NCCn3cnc(C#N)n3)CC2)o1 1592338455 QCXVFQMSPUCYGF-UHFFFAOYSA-N 397.403 -0.341 30 20 GBED C#CCOCCC(=O)N[C@@H]1C[C@@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)C12CCC2 1602729261 MEAXDCIOHNMFOP-CHWSQXEVSA-N 382.428 -0.042 30 20 GBED N#Cc1cnccc1N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 1606389500 PFJQVRAWIMPYJU-NHYWBVRUSA-N 379.384 -0.169 30 20 GBED CN1CCN(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1661769308 BIKZBADHSGICNQ-MRXNPFEDSA-N 377.470 -0.259 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783563120 WLCUHSZQCBCJHK-SFHVURJKSA-N 376.413 -0.814 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)OC)C2)C1 1784253865 AOPHRTFGKWFNCK-PYTPGESOSA-N 394.428 -0.969 30 20 GBED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=N)N)[C@H]3C2)cc1 1786804292 MOOYJLIUQILHPP-ULQDDVLXSA-N 398.467 -0.436 30 20 GBED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)n(C)n1 1791074000 LUCDFZWBYJOCGB-OBJOEFQTSA-N 390.396 -0.890 30 20 GBED C[C@@H](Cn1ccnc1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077974 OFZTWQHINLKMST-VGWMRTNUSA-N 388.424 -0.413 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CSC(=N)N)c1 1795506141 CASSLJJMKXWLLT-GNXNZQSNSA-N 376.442 -0.284 30 20 GBED COc1nccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c1F 1795911656 UDSKHSNNCWIGAH-CULMDFNYSA-N 391.355 -0.480 30 20 GBED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1829846095 NFRFFFKKVNRBCK-HNAYVOBHSA-N 394.472 -0.093 30 20 GBED Cn1nncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830053442 RPSCPGUEYWRYIO-KRWDZBQOSA-N 376.417 -0.565 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(C)(C)O)C2)C1 1831391105 GVILLBRQZUWFEG-BEFAXECRSA-N 382.457 -0.358 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1cccnc1)CCO2 1833104925 OOXSWZAOSJJOBH-YADGQWAMSA-N 399.403 -0.361 30 20 GBED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)CC[C@H](N)C(N)=O)CC2)CC1 1834736321 MCYCZVKWICGVIE-DOMZBBRYSA-N 399.561 -0.531 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835656643 PGGMCZKAIYVIPT-XHDPSFHLSA-N 390.531 -0.222 30 20 GBED C[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446999 SMWBBYVHLZOTSL-HNUSORCJSA-N 382.461 -0.705 30 20 GBED CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)nn1 1838829198 JCDPZLRBJMOSGH-GOSISDBHSA-N 389.412 -0.141 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1840173601 HKLGWRNRUPYZLO-KDOFPFPSSA-N 382.461 -0.274 30 20 GBED O=C1CN(CC(=O)N2CCCC23CN(C(=O)C/N=C/c2ccco2)C3)C(=O)N1 1841891842 OCHQGBYRCZGIBA-FBCYGCLPSA-N 387.396 -0.546 30 20 GBED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CNC2=O)C3)cc1 1844927759 YJKGQGDNTAMGFV-UHFFFAOYSA-N 381.392 -0.073 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(N3CCCC3)CCOCC2)C1=O 264311076 SSNJOIMZVDHLHG-UHFFFAOYSA-N 378.429 -0.276 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN2C(=O)NC[C@@H]2C1 268922824 WYQUSYQCISFGID-DGCLKSJQSA-N 377.426 -0.539 30 20 GBED Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 275486409 KCBRXJISXKWTAU-GJZGRUSLSA-N 399.494 -0.357 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)C1=O 299588144 UVWOTCXOUYWIOE-QWHCGFSZSA-N 394.428 -0.647 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN2C(=O)CC[C@@H]2C1 349464966 DBAIXIAVFPGCEZ-GFCCVEGCSA-N 398.466 -0.516 30 20 GBED C[C@]1(O)C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2ccc(C#N)cn2)C1 349544070 PJXNEASCNYMLHZ-XBXGTLAGSA-N 388.471 -0.082 30 20 GBED CC(C)N1C(=O)C[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1=O 434384231 MEXTWFRSFAYSQI-AWEZNQCLSA-N 392.437 -0.169 30 20 GBED CN(C)c1ncncc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446534287 YYABUTKZDMCRFQ-UHFFFAOYSA-N 375.433 -0.444 30 20 GBED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1 453687811 GIVGSBYPJMCSKC-UHFFFAOYSA-N 387.440 -0.402 30 20 GBED CCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CC(=O)NC1=O 502528798 SKCQIMBNHWMYBY-CYBMUJFWSA-N 378.410 -0.558 30 20 GBED CN(CCC#N)S(=O)(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 503111211 WHRWLIANHIFDFJ-LBPRGKRZSA-N 381.418 -0.066 30 20 GBED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(N)=O 524281853 CXTNWJBYLNGGDI-UHFFFAOYSA-N 386.408 -0.684 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)NCCC(=O)N3CCOCC3)CC2)c1C#N 530513514 PATFFTPMLMEEQF-UHFFFAOYSA-N 389.460 -0.319 30 20 GBED N#C[C@@H]1CSCCN1C(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 537128037 QQEREEYZUAOBCR-SECBINFHSA-N 382.423 -0.291 30 20 GBED C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 562698103 DVBJJDJLESYGSI-ZBFHGGJFSA-N 387.440 -0.400 30 20 GBED COc1ccc(S(=O)(=O)N2CC(NC[C@H](O)CN(C)CCC#N)C2)cc1 565594315 UHXHTXKCULKQKN-HNNXBMFYSA-N 382.486 -0.136 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1 589343576 LIBHCIWMMADQHD-ZDUSSCGKSA-N 386.455 -0.884 30 20 GBED CCNC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)C#N)cc1 594626474 UVIHEFNNFCSAGS-NSHDSACASA-N 388.471 -0.366 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCc3nnc(C)n3C2)CC1 609754532 QVWWEJZUULOLBU-HNNXBMFYSA-N 375.477 -0.222 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)NCCCS(=O)(=O)NC)c1 629349396 ZNHOGFJSTZRLJY-UHFFFAOYSA-N 375.472 -0.180 30 20 GBED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCNC1=O 729540211 WJFRZIIUOGSHDN-SNVBAGLBSA-N 380.382 -0.680 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)C(=O)O)CC2)ccc1F 737532135 GVCCKSWHEPSDAD-UHFFFAOYSA-N 399.400 -0.341 30 20 GBED COC(=O)[C@@H](O)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 747521224 PUPFQORMCSMXDA-HNNXBMFYSA-N 395.437 -0.502 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)COc1ccc(S(N)(=O)=O)cc1 750174242 IUAZITJLXCICBZ-JTQLQIEISA-N 385.398 -0.344 30 20 GBED C[C@H](CC(=O)OCc1nc(=O)n(C)[nH]1)/N=C1/NS(=O)(=O)c2ccccc21 765489699 VOEGAWDIEXKJBR-SECBINFHSA-N 379.398 -0.331 30 20 GBED C=C[C@@H](O)C(=O)OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 814545387 SHAMUKXZZAKISH-OAHLLOKOSA-N 398.437 -0.586 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)n1ncc(C#N)c1N 820444543 KFRWPLNWRKIDRW-QMMMGPOBSA-N 387.385 -0.476 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CNC[C@@H]2C#N)cc1 834506779 VYMPZFIWYYEXFJ-WFASDCNBSA-N 379.442 -0.507 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)NCC1(C(=O)O)CCOCC1 843257788 VAVSCZMNUGHOJM-UHFFFAOYSA-N 375.385 -0.521 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@](C)(C(=O)O)c1ccccc1 846327481 PTQRQLSRUUWGGW-QGZVFWFLSA-N 382.438 -0.138 30 20 GBED C#CCNS(=O)(=O)CCCS(=O)(=O)NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 848966849 DQPCHSBUEXICSH-WXLSXGNJSA-N 390.527 -0.068 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2nnn(C(C)(C)C)n2)C1 963910979 DJCXEYHBVFNUME-MQYQWHSLSA-N 392.460 -0.750 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc3c(c2)nnn3C)C[C@H]1O 1025711175 IJYDUOOSRUHWMI-NGFQHRJXSA-N 386.412 -0.744 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCc2nc(O)n[nH]2)[C@H](c2cnn(C)c2)C1 1086998144 VZUGIFLAINTSJY-BARDWOONSA-N 387.444 -0.081 30 20 GBED C=CCN(CC=C)C(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1102359286 CNYBRWLGUDMZTO-WCXIOVBPSA-N 392.500 -0.096 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCNC(=O)NC 1110526486 KREQTTYPWAXGGN-UPJWGTAASA-N 380.449 -0.961 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCCC(N)=O 1111260097 FRXLGGZJYOGPOW-MCIONIFRSA-N 379.461 -0.235 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(C(=O)N2CCCC2)CC1 1117587714 YHTRNCCSAFBCNN-UHFFFAOYSA-N 385.486 -0.436 30 20 GBED N#CCCN1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 1165057048 XIJMFYJGVAASLT-UHFFFAOYSA-N 377.470 -0.012 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 1261181434 WEWFJMCKJJDFJQ-NSHDSACASA-N 385.408 -0.202 30 20 GBED CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1261925593 VXDSBXDOMZRLKR-VHDGCEQUSA-N 382.486 -0.343 30 20 GBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCCOC1(C#N)CCOCC1 1263474374 AKLHFAUECMANOH-LBPRGKRZSA-N 386.430 -0.281 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O 1327389542 XZWGBPBVTOZPQG-OAHLLOKOSA-N 393.465 -0.379 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC(C(=O)NCCCOC)CC1)[C@@H]1CCCO1 1347038700 ITFSOWWMCGVTCF-HOTGVXAUSA-N 379.457 -0.325 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H](N)CCO3)C2)C1=O 1349634185 HDVQPWRLJHEKFO-VVLHAWIVSA-N 392.500 -0.023 30 20 GBED C#CCN1CCC(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 1573282602 LAHBBCKFRDAKBK-AWEZNQCLSA-N 381.444 -0.303 30 20 GBED C[C@@H](OCc1cnn[nH]1)C(=O)N1CCC(N(CCO)C(=O)C#CC2CC2)CC1 1575743558 TYFOLQBLZAHQFL-CQSZACIVSA-N 389.456 -0.065 30 20 GBED CCO[C@@H]1CN(C(=O)CCOCc2cnn[nH]2)C[C@H]1CNC(=O)[C@@H](C)C#N 1576586690 RZVVJHXAKIGNEX-GZBFAFLISA-N 378.433 -0.149 30 20 GBED N#Cc1nccc(N2C[C@H]3C(CNC(=O)c4c[nH]c(-c5nn[nH]n5)c4)[C@@H]3C2)n1 1581884904 GNCGAORFFDXBMC-RYUDHWBXSA-N 376.384 -0.031 30 20 GBED C=CCCOCC(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1602843993 FBZWTQPZBCHSKI-CYBMUJFWSA-N 389.416 -0.255 30 20 GBED CC(C)(C)OC(=O)N1CCO[C@](C(=O)O)(C(=O)N2CC[C@@](O)(CC#N)C2)C1 1602892082 DWTRGUJCJRGOMN-IRXDYDNUSA-N 383.401 -0.046 30 20 GBED C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1706790863 KYEVNSRECKJPHS-QLFBSQMISA-N 389.460 -0.321 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(N(CCO)C(=O)[C@H]2C[C@H]2C(N)=O)CC1 1757553561 KEMGVUWOJHKXRS-YVSFHVDLSA-N 393.484 -0.099 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1781268715 UNOPIDFDKJGFQM-QGZVFWFLSA-N 392.416 -0.988 30 20 GBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(=O)(=O)N1CCCC1)C2 1781692777 ADFNHDVQWSJCNN-CRAIPNDOSA-N 397.497 -0.441 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)[C@H]2C1 1783626240 TVIZKQFOWOJYMX-XAJHFOFHSA-N 391.468 -0.469 30 20 GBED C[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1796186564 SXYVRIPXWAVAPE-MMWGEVLESA-N 376.442 -0.012 30 20 GBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cccc([N+](=O)[O-])c1=O 1800281670 ZRLZUPYUYMYRJI-DRXBFXEBSA-N 389.368 -0.740 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835640153 LSAMGQCPQAJZIA-HNAYVOBHSA-N 393.488 -0.505 30 20 GBED Cc1cnoc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043307 QXCGIYXFVAATLH-QGZVFWFLSA-N 377.353 -0.859 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1840173793 RQEOHTCVCWGFCB-WMLDXEAASA-N 385.417 -0.917 30 20 GBED CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 267551910 PJBWYKLFPHEJEY-SNVBAGLBSA-N 384.389 -0.235 30 20 GBED C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 298108273 XDBKFDNCAZDYHW-INIZCTEOSA-N 380.489 -0.198 30 20 GBED O=S(=O)(CC/N=C(/O)N1C[C@H]2COC[C@@H](C1)O2)NC[C@H]1CCCCO1 328721326 WSTGQJSTPSECAU-MCIONIFRSA-N 377.463 -0.512 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)n(C)n1 349460426 PPWCXLKZRHVDAP-UHFFFAOYSA-N 391.475 -0.850 30 20 GBED N#CC1(NS(=O)(=O)c2ccccc2S(=O)(=O)N2CCNC(=O)C2)CC1 349471468 OIQXKCOCHXSWCV-UHFFFAOYSA-N 384.439 -0.858 30 20 GBED CN1CC[C@H](N(C)S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C1=O 349482486 SCJRVEIEJLFYCT-NSHDSACASA-N 386.455 -0.660 30 20 GBED CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N1CC(OC)C1 349502807 PAVQIGIDGSPXLR-UHFFFAOYSA-N 391.475 -0.433 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCn3ccnc3C2)CC1 349550329 HIFWQLXTOVTJEW-LBPRGKRZSA-N 387.487 -0.517 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)C1=O 369278958 UZLAKXKJGNVNQG-ZDUSSCGKSA-N 377.445 -0.752 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN([C@H]3CCOC3)CC2)cc1 377902229 FJWPOKLWFNMAIL-HNNXBMFYSA-N 378.454 -0.230 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCC(F)(F)CN)C2=O)cc1 418902811 HIYJRJWSNSAYRU-ZDUSSCGKSA-N 379.367 -0.120 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C)CC(C)(C)CN)CC2)c1C#N 423445708 NCRKOGTTXHUIDO-UHFFFAOYSA-N 375.477 -0.308 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1C(=O)CCCC1=O 482385905 MLVDHEFLSVYQQO-GFCCVEGCSA-N 392.437 -0.120 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCc2cccc(C(=O)NC)c2)C1=O 508032987 OTUWCANQNIHVDL-INIZCTEOSA-N 386.452 -0.050 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCCCNC2=O)cc1 520428844 BXZOCOXHXBIUHF-ZDUSSCGKSA-N 386.455 -0.565 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCC(=O)OC)C[C@@H]2CCCO2)C1=O 524444036 YKVYWIJCEVLHCN-LBPRGKRZSA-N 381.385 -0.466 30 20 GBED C=CCNC(=O)CNC(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC)c1 537453653 BJQBMIPYTHDLMS-UHFFFAOYSA-N 383.430 -0.865 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2C)C1=O 548660025 HHJOPJXJTBNWHQ-GXTWGEPZSA-N 375.385 -0.348 30 20 GBED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NCC(=O)NCC#N)cn2)C[C@@H](C)O1 554259799 FZMBVGIXSYARPC-VXGBXAGGSA-N 377.405 -0.720 30 20 GBED Cn1ccc(NCCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n1 556905406 HHFLBLBVQZIBEA-UHFFFAOYSA-N 376.442 0.454 30 20 GBED COC(=O)CCNC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 749017593 PKKHTKCLKVACHX-UHFFFAOYSA-N 383.382 -0.941 30 20 GBED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cn(C)c(=O)n(C)c1=O 766982605 PCQKZZQSYJQXEA-UHFFFAOYSA-N 378.366 -0.917 30 20 GBED COC(=O)Cn1ncc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1C 796660236 CJTCNNKHVNEEFY-UHFFFAOYSA-N 385.384 -0.202 30 20 GBED CCN1CCO[C@H](C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 805478613 XGURYFPYBMCWGA-HNNXBMFYSA-N 391.428 -0.233 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCNC[C@H](O)Cn1c(-c2ccccc2)noc1=O 819049740 NVXODUDGXDHXSV-DCOQFNDQSA-N 399.407 -0.020 30 20 GBED C#CCOCCNS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O 831086235 NTJGXTMPPOTFHM-UHFFFAOYSA-N 380.422 -0.132 30 20 GBED C#CC[C@H](CCOC)NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 859019047 ILURGXVMWGAQMQ-CYBMUJFWSA-N 378.433 -0.913 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)NCC(=O)OC)c1 914425298 JPURBNOQNDDWJQ-NSHDSACASA-N 384.410 -0.015 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C=C)C[C@@H]2O)CC1 966003958 BFBIOBKXVXFMKC-BDXSIMOUSA-N 375.469 -0.389 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(=O)n(CC)n2)C1 969726110 MKTDLXFKCUSACC-RZFFKMDDSA-N 376.413 -0.844 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)C[C@H]1O 1023939696 MNMHRCIADSQAEV-CRNXPOROSA-N 390.440 -0.454 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CCC)nn2)C[C@H]1O 1023940062 XHJZXWDOWUGFHK-XNISGKROSA-N 377.445 -0.029 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cc(C)nn2C)C1 1024632895 HEFSTZUBUOQNBV-LHHMISFZSA-N 376.457 -0.060 30 20 GBED C=CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 1129112765 LKEDLJWBFCTHLF-CBZIJGRNSA-N 388.472 -0.263 30 20 GBED CNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 1261324402 HBPMFWPXBYEJCK-HUUCEWRRSA-N 385.424 -0.082 30 20 GBED CC(C)NC(=O)CN1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1318905119 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C=CCO[C@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588665573 MVGNSGRQKZMPLG-WQAKAFBOSA-N 375.389 -0.913 30 20 GBED CC(=O)N1CCN(C(=O)CSc2nc(N)c(-c3nn[nH]n3)cc2C#N)CC1 1609063057 PGCRNFFOMVGPCL-UHFFFAOYSA-N 387.429 -0.502 30 20 GBED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C2 1783164576 IYEAGOTYJTVIEQ-QMTMVMCOSA-N 378.473 -0.494 30 20 GBED C[C@H](Nc1cnccn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c1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793258462 IFZLPQIYDHJRIJ-XOIINTDNSA-N 382.420 -0.203 30 20 GBED Cc1nn[nH]c1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812879055 OXPISOBOUBESQN-SUMWQHHRSA-N 382.380 -0.084 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1830051102 XBIUXWGZHGRVHS-AUUYWEPGSA-N 392.456 -0.481 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1831425937 XIUSWOZMHLQJIX-DNVCBOLYSA-N 392.456 0.000 30 20 GBED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1831575893 GRRXELIBGWXTGN-HNAYVOBHSA-N 393.440 -0.255 30 20 GBED COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1833509024 UYNZALPXYODBKM-YVEFUNNKSA-N 396.469 -0.127 30 20 GBED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)Cc3cnc[nH]3)CC2)CC1 1835064541 WDMCCMYFOWTQSW-UHFFFAOYSA-N 387.440 -0.388 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(OC)c1F)CCO2 1836240015 XSPGKVNSIHVTQP-GOSISDBHSA-N 377.372 -0.068 30 20 GBED CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1837245782 DJJUNUCNMFLGII-RMKYTRAYSA-N 392.543 -0.080 30 20 GBED CNC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838733111 NQXSHSVODFWEAZ-SFHVURJKSA-N 389.412 -0.908 30 20 GBED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)n1ccnn1 1839704933 MDSNYTIKZCBWGX-KDOFPFPSSA-N 390.444 -0.155 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1839871454 IOVIJDMPRPUNNP-HNAYVOBHSA-N 377.441 -0.618 30 20 GBED COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840158592 NITSORJELXEBGA-XJKSGUPXSA-N 376.475 -0.576 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1840166884 JPLUEJLJQWGGCP-GOSISDBHSA-N 375.429 -0.311 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1843336532 QTVSGEBNCDWRJZ-ZDUSSCGKSA-N 378.477 -0.081 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)C(=O)O)C1 1845810124 GRYWGSVMKYJIHO-LBPRGKRZSA-N 382.417 -0.466 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)NS(=O)(=O)CC 1847782777 FAWAJORIQNCCRQ-QPSCCSFWSA-N 385.486 -0.446 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](C)N2CCN(C)CC2)cc1 263813194 XFVRGIDMKNDNSH-HNNXBMFYSA-N 378.498 -0.036 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2nnc(S)n2C)cc1 264225619 ZGLDYFMVTBSYCH-UHFFFAOYSA-N 379.467 -0.012 30 20 GBED C=CCNC(=O)CNC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 271978058 LPSGVWMSOZXZML-UHFFFAOYSA-N 394.497 -0.135 30 20 GBED C=CCN(C)C(=O)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 287286340 VNEYTOKDRPLZKU-UHFFFAOYSA-N 394.497 -0.117 30 20 GBED N#Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 298985863 QBFGIRTUSMIHPG-UHFFFAOYSA-N 399.407 -0.974 30 20 GBED C[C@H](N/C(O)=N/CCS(=O)(=O)N1CCSCC1)C(=O)N1CCCC1 329486124 XHYXNNQSDTXSTR-LBPRGKRZSA-N 378.520 -0.121 30 20 GBED CS(=O)(=O)N1CCC[C@H](/N=C(/O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)C1 329843163 XFYYMESWBIJVID-PGKPSXLWSA-N 399.469 -0.081 30 20 GBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC[C@H]1C(=O)OCC 330832978 KKMWMSNSZJRGOZ-STQMWFEESA-N 380.488 -0.066 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(/C(O)=N/C[C@@H](C)CN2CCOCC2)CC1 330858861 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MVBVPPITJIAWSJ-ZDUSSCGKSA-N 390.469 -0.291 30 20 GBED COC(=O)[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCO1 487741326 SMXHQESGSIRNOU-AWEZNQCLSA-N 381.410 -0.421 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCO1 491390787 YCZWLXYYMCQOKN-AWEZNQCLSA-N 398.379 -0.463 30 20 GBED COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1=O 500336365 WRXWMRRLWUYMKD-CYBMUJFWSA-N 376.344 -0.084 30 20 GBED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC(N)=O 524281459 YIENVEMKDSZTHX-UHFFFAOYSA-N 385.449 -0.791 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N(C)C)cc1 564470083 KKFACABIURVJKH-NSHDSACASA-N 388.471 -0.414 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCOC[C@H]2OCCOC)C1=O 583401403 NFTDOZKXEGNTEM-SOUVJXGZSA-N 383.445 -0.832 30 20 GBED CCn1ncnc1CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 588798852 SBLHLUKFXPJNJA-UHFFFAOYSA-N 385.432 -0.823 30 20 GBED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 595980462 IQACTBHASHMYBS-IAGOWNOFSA-N 381.436 -0.157 30 20 GBED N#CCN1CCC(NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 610784249 SQZKAEMWZBPTRR-UHFFFAOYSA-N 386.499 -0.128 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NCC)cc2)CC1 728536092 JDZBUZCBWCQESV-UHFFFAOYSA-N 392.481 -0.508 30 20 GBED N#Cc1cc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nn[nH]n2)ccc1F 737704939 LROZVFFFCSUPIF-UHFFFAOYSA-N 398.362 -0.130 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](Cc3cnn(C)c3)C2)c1=O 747460334 JUYLZRDZTMCOKO-OAHLLOKOSA-N 386.456 -0.201 30 20 GBED C#CCSCCNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 762471796 QJSKQRFXIXQNLD-UHFFFAOYSA-N 379.442 -0.837 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)OC)CC1 772689652 BTGRQFJAGXWCHD-CVEARBPZSA-N 399.513 -0.195 30 20 GBED N#C[C@@H]1CSCCN1C(=O)COCCOCC(=O)N1CCSC[C@H]1C#N 775498325 OZXZPBGPHMKWSH-ZIAGYGMSSA-N 398.510 -0.045 30 20 GBED COc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1C#N 799483372 NQWAAPCQHHNGTK-UHFFFAOYSA-N 377.382 -0.723 30 20 GBED N#Cc1cnn2c(O)cc(COC(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)nc12 815261748 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N#Cc1cccnc1NCCNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 917159099 BBRIORFAPZCOGM-KBPBESRZSA-N 391.453 -0.483 30 20 GBED C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nnc(O)nc2O)c1 1000168446 GTJVMQSJVASTNF-AGIUHOORSA-N 380.364 -0.165 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1O 1023916348 SVGHPEMDDBCOKD-LHHMISFZSA-N 392.456 -0.142 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 1024443962 ZTTMHAKKKCEPDJ-TUVASFSCSA-N 386.470 -0.910 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCNC(N)=O 1110080937 WLMNRZHVHCPMJF-NDBYEHHHSA-N 380.449 -0.833 30 20 GBED N#Cc1ccccc1S(=O)(=O)NC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 1116161107 IXZRZMMZBXXISL-YIKOMLBNSA-N 389.389 -0.474 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NCCOc1ccc(F)cc1 1117069855 RXQURJVVSCRQBY-FOCLMDBBSA-N 390.371 -0.037 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2cnn(C)c2)nn1 1118178670 SZOMQCAIRGWAKZ-HOTGVXAUSA-N 387.444 -0.072 30 20 GBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCN(C)[C@@H]2CC)C[C@@H]1n1ccnn1 1129850069 PFNXMPPICIQJHB-HZMVEIRTSA-N 389.504 -0.348 30 20 GBED COC(=O)[C@@H](O)CCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1305992713 SGUOSDRZATVTDR-PWSUYJOCSA-N 383.426 -0.456 30 20 GBED COc1cc([C@@H](C#N)NC(=O)CNC(=O)CNC(C)=O)cc(OC)c1OC 1318211019 GIQYHIBHERRFBK-GFCCVEGCSA-N 378.385 -0.354 30 20 GBED CCS(=O)(=O)N(C)CCCNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 1319906263 BHBQFURCJOHJJH-UHFFFAOYSA-N 384.462 -0.169 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2c(C(=O)OCC)cnn2C)CC1 1321798760 YLCUNAODODQDKN-UHFFFAOYSA-N 389.412 -0.477 30 20 GBED C[C@H](NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(C)(C)CN(C)C 1322961796 JKIGIKBCDZNUJS-TZFAWSOVSA-N 379.461 -0.279 30 20 GBED C=CCCN(C)C(=O)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 1326898914 BIEOCCOBVGVFJP-UHFFFAOYSA-N 383.474 -0.276 30 20 GBED COc1ccc(OC)c(CN(CCO)C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)c1 1328426002 MZPGASRTNCFEDV-IBGZPJMESA-N 391.424 -0.098 30 20 GBED CCOC(=O)[C@]1(COC)CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1448190584 KXTADMODVBEMQH-QGZVFWFLSA-N 378.385 -0.361 30 20 GBED Cc1c(C#N)c(=O)n(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n1C 1473069261 MBYBSDJJMFUIHL-UHFFFAOYSA-N 391.428 -0.194 30 20 GBED C#CCOCCC(=O)N1CCC[C@@H](CN(C)CC(=O)NCc2cnn[nH]2)C1 1575013583 RSIDSRWCTPHUKY-HNNXBMFYSA-N 376.461 -0.369 30 20 GBED C[C@@H](OCc1cnn[nH]1)C(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1575878059 PPAIYSSNGPJXEX-LLVKDONJSA-N 375.389 -0.840 30 20 GBED N#C[C@]12CN([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C[C@H]1CS(=O)(=O)C2 1581860298 UDDHZVDRHXGDPT-WOSRLPQWSA-N 387.425 -0.737 30 20 GBED C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588354513 OEWSTHWIHALCFM-UGSOOPFHSA-N 382.428 -0.472 30 20 GBED C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CCN(C2CCC2)CC1 1588709807 WELWTAIJTADDOX-UHFFFAOYSA-N 396.463 -0.042 30 20 GBED CS(=O)(=O)N1CC(CNC(=O)[C@@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 1591680218 JUVHFYYAIHCTPM-CQSZACIVSA-N 389.441 -0.443 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 1592678155 QPBHYDMLPZRZAC-RYUDHWBXSA-N 383.416 -0.440 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)CC1 1602726926 XNIYUPQIEUPZBC-XQLPTFJDSA-N 381.454 -0.489 30 20 GBED C#CCOCCC(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[nH]n3)nn2)C1 1602729281 MZQNALSUBAKGQL-KRWDZBQOSA-N 386.416 -0.856 30 20 GBED N#CCC1(CNC(=O)C(=O)N2CCN(c3ncccc3-c3nn[nH]n3)CC2)CC1 1606346832 ZLQVVFWSDMHYES-UHFFFAOYSA-N 395.427 -0.280 30 20 GBED C#C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)[C@H]1CCCO1 1609019512 VXQJVKXYSDWCLK-ZIAGYGMSSA-N 390.425 -0.558 30 20 GBED C[C@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104735 GHSXTLMXBAQILC-IXOFLNQHSA-N 396.444 -0.520 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NNC(=O)C2)C1 1779304150 YJUXEUXRSCYCRG-ZBQZNYHESA-N 390.440 -0.586 30 20 GBED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)S)C3)C2)no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c2ccco2)C3)N1 1795389055 JMUXDVIYWLBFKJ-TZPROXGASA-N 388.424 -0.433 30 20 GBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2 1795420327 IEMGGTYWSNKLEN-IVWMJMPLSA-N 396.407 -0.404 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)ncn2)C3)c1 1798691340 XSFPEOXYEMOASX-DRXBFXEBSA-N 382.380 -0.101 30 20 GBED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1800490456 ZJAAQLKCSMRSOK-QFXBJFAPSA-N 381.473 -0.561 30 20 GBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2 1800980140 AGMMXZUAUCNIJF-LSSIXWDNSA-N 381.454 -0.791 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1839713202 XKDLOXTZGMXQKD-YJBOKZPZSA-N 375.429 -0.291 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4CNC(=O)C4)CCO3)C2)CCC1 1839874163 AERZCBSCPXWFMQ-IFXJQAMLSA-N 390.440 -0.727 30 20 GBED C/N=C(/NCc1cnc(N(C)C)n1C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 261775942 OQIXFCHXKYBRMJ-SFHVURJKSA-N 390.492 -0.128 30 20 GBED C=C(C)C/N=C(/NCC(=O)N(C)C)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 262331530 VDZCTEVDNYTIGF-INIZCTEOSA-N 378.521 -0.165 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)Cn2c(C)nc3ccccc3c2=O)CC1 264800793 AHVMQSYZGCXDFU-UHFFFAOYSA-N 395.463 -0.011 30 20 GBED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CCS(N)(=O)=O)CC1 267514716 YQOPRMVOISNOCB-UHFFFAOYSA-N 379.442 -0.762 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1 270028211 VKJAJWXAAGGZFI-CQSZACIVSA-N 399.494 -0.248 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C1=O 281465517 SXMAIRVBSAIXTM-DLBZAZTESA-N 392.500 -0.055 30 20 GBED C#Cc1cc(F)c(NC(=O)C(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)c(F)c1 283170801 FUBDGYZJAGBWGO-LLVKDONJSA-N 386.376 -0.107 30 20 GBED N#Cc1ncn(CCNC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 287097486 XQJCUASWBFVFPT-UHFFFAOYSA-N 393.385 -0.169 30 20 GBED C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 288993670 YOWCDQQEJXWHOG-HOCLYGCPSA-N 387.440 -0.088 30 20 GBED C#CC[C@@H](NC(=O)CNS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 291093908 QVSFUKDPPKVTIB-HUUCEWRRSA-N 384.479 -0.026 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 292351707 PZMNNSGQDNLMLW-WMLDXEAASA-N 378.473 -0.493 30 20 GBED CN(CCCNC(=O)CSc1nc(N)c(C#N)cc1C#N)S(C)(=O)=O 298782779 ADMOSKFHKZDNOY-UHFFFAOYSA-N 382.471 -0.103 30 20 GBED COC(=O)C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OC 298836586 CYRHTYYKBIIYTH-CYBMUJFWSA-N 382.394 -0.306 30 20 GBED CC[C@H](/N=C(/O)N1CCC[C@@H](CNS(C)(=O)=O)C1)C(=O)N1CCOCC1 331279614 ZWTBGYIUVFKKCD-KBPBESRZSA-N 390.506 -0.201 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCS[C@H]2COCC[C@@H]21 349489702 FXDVTQPHHPGIAD-AVGNSLFASA-N 397.544 -0.256 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)CC1 349544880 PWMUIKHFQZHMEB-YNEHKIRRSA-N 377.488 -0.161 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NCCC#N)cn(C)c1=O 349590350 JDQSVJDOXAEGTP-UHFFFAOYSA-N 376.460 -0.341 30 20 GBED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 349593700 SKSIPIIGGRYIMM-QWHCGFSZSA-N 392.503 -0.718 30 20 GBED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 349605574 HAPRGERGTHFUHV-IGQOVBAYSA-N 375.472 -0.575 30 20 GBED CN(C)C[C@H](O)COc1ccc(NS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1 410136172 QNLADENHHWSEGA-HOCLYGCPSA-N 384.458 -0.131 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C1CCN(S(N)(=O)=O)CC1 461751540 RZPNAXZOZRLTBK-UHFFFAOYSA-N 389.441 0.301 30 20 GBED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 555260485 PTNXMWXOUKIUHS-CYBMUJFWSA-N 387.444 -0.763 30 20 GBED N#Cc1ccc(NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)nc1 559697927 JOMDWWGULQRTJS-DDHJSBNISA-N 379.376 -0.185 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCC(=O)NC)cc1 570294588 UGJQTCKNDWRCKP-UHFFFAOYSA-N 388.471 -0.365 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@H]1CCc2ncnn2C1 583642172 QUGGGLUAPLFQCQ-NSHDSACASA-N 390.491 -0.876 30 20 GBED COC(=O)c1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)n1 593592003 RWZQTZRNRFWDKR-UHFFFAOYSA-N 389.412 -0.119 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)CNS(=O)(=O)c1ccccc1N 597020186 GWEYTUJIICGIBS-UHFFFAOYSA-N 395.485 -0.378 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@]1(C#N)CCSC1 610782315 QOJPNXHMWMXTQK-BONVTDFDSA-N 382.467 -0.032 30 20 GBED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 615000815 VZYFIHIACGJEKK-GFCCVEGCSA-N 381.396 -0.126 30 20 GBED C=CCn1c(-c2cn[nH]c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 624848072 QLVLDJLCLJGCEK-UHFFFAOYSA-N 386.460 -0.165 30 20 GBED C#CCNC(=O)CN1CCN(CCCN2C(=O)CS/C2=C/C(=O)OC)CC1 728572185 XRDWPSIUKZOGGE-SFQUDFHCSA-N 394.497 -0.667 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OC1CCN(CC#N)CC1 771635931 GJLKTOIBHZCDAS-LBPRGKRZSA-N 394.453 -0.017 30 20 GBED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 785210759 JMHSHPIQKYWSPG-NSHDSACASA-N 375.316 -0.571 30 20 GBED N#Cc1cccc(CNC(=O)COC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)c1 815263079 JMVOWWZZQQONMC-CQSZACIVSA-N 380.426 -0.367 30 20 GBED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N(CC#N)CC(=O)O)s1 825879230 MSZQNAQHQMPPGL-UHFFFAOYSA-N 388.427 -0.901 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@]12CCOC2=O 848958048 SHHCCKXZXWRAGW-JSGCOSHPSA-N 393.487 -0.339 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCN(CC(=O)N(CC)CC)CC1 850711678 XOTWGGZEEJZWHU-UHFFFAOYSA-N 380.489 -0.503 30 20 GBED Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O 968362687 MZSPMQOYTAFRED-XLMAVXFVSA-N 386.452 -0.011 30 20 GBED N#Cc1ccc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@H]3C2)[nH]1 985976148 PSEFTOFFEIYDDA-GUYJKWIASA-N 385.424 -0.160 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 990881862 QWNJUGWPQCUMPG-ZWUHOBOKSA-N 376.417 -0.997 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)n1 1117361710 VCYGFRJLONXIDT-INIZCTEOSA-N 390.440 -0.097 30 20 GBED N#C[C@H](C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)N1CCCC1 1122706586 AVLFFKIRUQUJFD-NWDGAFQWSA-N 380.426 -0.517 30 20 GBED N#CCOc1cccc(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 1318483184 JUEZKJZSCYBZHN-UHFFFAOYSA-N 384.400 -0.371 30 20 GBED C#CCOc1ccc(NC(=O)C(=O)Nc2cnn(CC(=O)NCCO)c2)cc1 1319347358 GHHQDTULWXHAAI-UHFFFAOYSA-N 385.380 -0.419 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCCS(=O)(=O)C3)CC2)c1 1322717312 OUKOIAUJZNACEE-CQSZACIVSA-N 391.453 -0.705 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)CC1 1326613171 VKSZIRRGNPSVGY-HOTGVXAUSA-N 390.484 -0.262 30 20 GBED C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(=O)N(C)C 1329313076 DERQGNRCJIUMKJ-SWLSCSKDSA-N 385.424 -0.237 30 20 GBED O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cccc(C#CCO)c1 1331909405 GGRYGPRJFBASPG-DLBZAZTESA-N 378.450 -0.742 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)/C(=C\c2ccccc2)NC(C)=O)CC1 1332508206 TYUQITPOUOGTMV-SAPNQHFASA-N 390.465 -0.225 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC3(CC2)C[C@H](O)CCO3)C1=O 1335544366 RRVMKEHLDQTLNP-CABCVRRESA-N 379.457 -0.236 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 1343080082 LPLWNURUHJSYGQ-INIZCTEOSA-N 380.489 -0.150 30 20 GBED CN(CCCNC(=O)C1CCC1)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1348616600 IUTKWDFYYKMUBC-INIZCTEOSA-N 375.473 -0.050 30 20 GBED N#Cc1ccc(N2CC[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H](O)C2)nc1 1581871118 HPGLHOUNPYYBCE-RISCZKNCSA-N 379.384 -0.169 30 20 GBED C#CCNC(=O)CNC1(CC)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1588354222 IRYCSFBBERKPPO-UHFFFAOYSA-N 384.444 -0.081 30 20 GBED C#CCNC(=O)CN[C@@H](C)[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588354596 QXBIODFSIDCMJH-STQMWFEESA-N 384.444 -0.226 30 20 GBED C#CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNCc1ccc(-c2nn[nH]n2)c(F)c1 1588356820 GLWAJWBJMLLZHA-JSGCOSHPSA-N 390.419 -0.047 30 20 GBED C#CCOCCC(=O)N(C)C[C@@H](O)CN(C)c1cc(C)ncc1-c1nn[nH]n1 1588360109 IMEDWRNMDBSPQL-AWEZNQCLSA-N 387.444 -0.134 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(c3nc(C)cc(-c4nn[nH]n4)n3)C[C@@H]2O)c1 1588379656 KTYKMNDCMABODM-CABCVRRESA-N 391.395 -0.679 30 20 GBED C#CCN(CC(=O)O)C(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 1588409882 MADVJHALOYAJBC-UHFFFAOYSA-N 381.410 -0.203 30 20 GBED C=CCn1cc(C(=O)N[C@H]2[C@H]3C[C@H]2N(c2ccc(-c4nn[nH]n4)nn2)C3)nn1 1588713293 JLFDHNROWPWDSK-BHYNMZESSA-N 379.388 -0.559 30 20 GBED N#CCSCC(=O)NC[C@@H](O)CNCc1cc(F)ccc1-c1nn[nH]n1 1592678976 BOBJUWMAXJCCIA-LBPRGKRZSA-N 379.421 -0.171 30 20 GBED CC[C@H](CNS(C)(=O)=O)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1627870730 NHJFKXAGVGISAN-CQSZACIVSA-N 387.483 -0.083 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1778970283 YMWBGXGTPWIAER-OXQOHEQNSA-N 395.500 -0.278 30 20 GBED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781043567 QKFXAEJUUGMMBM-KUBNBFAUSA-N 390.440 -0.749 30 20 GBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1783047444 DDEOHUSQGQJOAE-HXPMCKFVSA-N 386.408 -0.544 30 20 GBED CN1N=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)CCC1=O 1784975082 KCFGGKONOJZTSL-ZOBUZTSGSA-N 386.452 -0.012 30 20 GBED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1785014658 YIMCZKSHUYYNJV-KKUMJFAQSA-N 395.529 -0.275 30 20 GBED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786891644 GSIBLAYRQWCBJK-VGWMRTNUSA-N 378.473 -0.638 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncnn3C)C[C@@H]21 1788571563 NPVRXOCIXAVCCA-AJNGGQMLSA-N 391.472 -0.019 30 20 GBED Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)no1 1795082276 DINQKDCJCMMJNM-DRXBFXEBSA-N 375.385 -0.784 30 20 GBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)[C@H]1SC(=N)NC1=O 1796427365 LWHNQIUMSIONMX-ZZVJUGKHSA-N 392.481 -0.208 30 20 GBED O=C1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)N1 1797836919 BODXQFGUXOJBTH-TZPROXGASA-N 388.424 -0.433 30 20 GBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1801000785 PJVBWGMCMMGMHN-NEBZKDRISA-N 383.445 -0.005 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CC)CCO2 1830510860 XMLHXQRGWJBZGU-YLRDJVGTSA-N 395.456 -0.928 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)C3CC3)C2)C1 1831387776 KGLVTMVDHIZBTP-IFXJQAMLSA-N 378.425 -0.540 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1831492768 OEJFVVWZCYJVBI-DOTOQJQBSA-N 397.501 -0.311 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccs1)CCO2 1833940161 CVJOWAQASSSTFN-QGZVFWFLSA-N 378.406 -0.094 30 20 GBED Cn1ccc(=O)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1838531481 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N#CCNC(=O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 376205393 AFTRMKLKIDDACI-LBPRGKRZSA-N 382.417 -0.018 30 20 GBED C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 377952052 JIHOPSYOLAAXRR-ZDUSSCGKSA-N 383.412 -0.398 30 20 GBED CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC1 410932346 UEBUBOYJRQMJHX-CQSZACIVSA-N 388.490 -0.497 30 20 GBED CNC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 468075728 QYHKFIDDFWOGQO-GFCCVEGCSA-N 399.386 0.351 30 20 GBED C=CCNC(=O)CNC(=O)NCCCCN1CCN(c2ncccn2)CC1 538520007 NLNZVXAIJPPBAC-UHFFFAOYSA-N 375.477 -0.020 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H](CS(N)(=O)=O)C2)CC1 553179890 LTOQSLIXIYFJOB-JKSUJKDBSA-N 385.534 -0.321 30 20 GBED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)NC)C1 555221530 VWYPNAPCJYXOQH-NWDGAFQWSA-N 385.494 -0.028 30 20 GBED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)c(C#N)cn2)CC1 563387568 UOGSADWHHOQXEZ-UHFFFAOYSA-N 388.428 -0.893 30 20 GBED CS(=O)(=O)N1CC[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 573255144 MKFUVBFVEQNTSN-CQSZACIVSA-N 385.467 -0.377 30 20 GBED COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 580199784 ADNTULWHTFXYAJ-DZGCQCFKSA-N 381.410 -0.639 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NCc2nnnn2C2CC2)cc1 594622650 RUCVGMDCOMPCPA-UHFFFAOYSA-N 397.442 -0.712 30 20 GBED CS(=O)(=O)N1CCN(CCNC[C@H](O)COc2ccccc2C#N)CC1 600718023 FKEKKXGILSYGOE-INIZCTEOSA-N 382.486 -0.535 30 20 GBED C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)NCC#N 731240548 HRJCAUOMFIRKAG-LLVKDONJSA-N 396.425 -0.762 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 738294224 ADUVKRKVCFIVFL-FYWRMAATSA-N 389.397 -0.329 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 754803092 DCULVEMAAWNVAJ-QGZVFWFLSA-N 390.400 -0.969 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)c2cc(OC)ccc2OC)CC1 761031454 SENBVTBXXOLNAR-MRXNPFEDSA-N 383.470 -0.178 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)C(=O)N1CCNC1=O 767673992 DCEOSFSCXNVJIO-WDEREUQCSA-N 394.409 -0.291 30 20 GBED C#C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@@H]1CCCO1 775339945 LHMANMRDNQVDFM-CQDKDKBSSA-N 379.438 -0.251 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](C(=O)OC)Oc2ccccc21 783350261 HWKZOMUBWMADCJ-AWEZNQCLSA-N 396.421 -0.329 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCN1CCOCC1=O 785279413 ATFHIVJPANHQBY-GFCCVEGCSA-N 381.410 -0.373 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](C)O[C@@]3(CCOC3)C2)c1=O 794710664 ZIJHFJAOFIPPGF-KSSFIOAISA-N 378.429 -0.619 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](CC(=O)OC)C(=O)OC)cc1 796924474 HMKMSRBTWHXQOG-CYBMUJFWSA-N 383.378 -0.140 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F 799286352 GLJNSIDXQDWZRB-NSHDSACASA-N 385.417 -0.095 30 20 GBED C#CCCCNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[nH]n3)cc2)n1 819693786 WLNQODOMJMOLDY-UHFFFAOYSA-N 379.384 -0.025 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2c(N)nc(C#N)c2-c2nn[nH]n2)CC1 824185387 YEEUYNCGGHOKFX-GFCCVEGCSA-N 383.420 -0.791 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CNC(=O)CC2CCCCC2)CC1 831561025 NWOGWNKKCSMEGQ-UHFFFAOYSA-N 384.502 -0.315 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(O)(C(=O)O)CC2)cc1 833376818 RFICADCTHMGBPV-UHFFFAOYSA-N 375.381 -0.021 30 20 GBED COC(=O)N1CC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C1 845912701 KCKZADZGVVOZLZ-SNVBAGLBSA-N 394.409 -0.122 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(c2)N(C)C(=O)CO3)CC1 859225391 OODRARDHENAQMG-UHFFFAOYSA-N 384.436 -0.061 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CCOC)nn2)C[C@H]1OC 946822369 RMQGWCATBVNMQX-LUYZLQTOSA-N 393.444 -0.529 30 20 GBED C=CCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)nn1 1000440065 LYOAQEUTHUXAAI-VJFWYMLFSA-N 388.428 -0.641 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NCCN(CCO)C(=O)[C@H]1C[C@@H](C)CC(=O)N1 1057731652 BUIJPCGNCAIDQA-FPCVCCKLSA-N 381.473 -0.181 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCC(=O)N1C 1109636497 HZJVWFIFQQDCMD-ZOBORPQBSA-N 377.445 -0.660 30 20 GBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1c1cncn1C 1131014759 GWICYAHHYBUWAP-YWTNHNAXSA-N 389.500 -0.327 30 20 GBED C=C(C)Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@]1(C)CNC(=O)C1 1263344881 TYMSHCRWBZRSCW-IBGZPJMESA-N 389.504 -0.110 30 20 GBED CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)NC(C)C 1314404381 LMYFGLPMSXVFMW-ZDUSSCGKSA-N 386.478 -0.129 30 20 GBED Cn1cc(N2CC[C@H](NC(=O)C(=O)NCc3cccc(OCC#N)c3)C2=O)cn1 1323747400 QKWSZIAUOZWGBR-INIZCTEOSA-N 396.407 -0.140 30 20 GBED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@](C)(C#N)C2)CC1 1327087461 GUFLDEJCQYQGRU-DNVCBOLYSA-N 375.473 -0.096 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1327260445 ZWAIEZLKXIVCNL-MRXNPFEDSA-N 395.481 -0.022 30 20 GBED C=CCOCCNC(=O)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCNCC1 1329857811 YCFDERVHIIQKOD-GJZGRUSLSA-N 379.461 -0.948 30 20 GBED CC#CCCNC(=O)C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1346587064 MLMQZWDKNVONBD-UHFFFAOYSA-N 385.486 -0.395 30 20 GBED C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1573584412 VLBJSHWUHYQYAF-NSHDSACASA-N 385.432 -0.335 30 20 GBED C=C[C@@](C)(O)CC(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CCCN3Cc3cnn[nH]3)[C@H]2C1 1575071679 BAGRTTBWSFDFLJ-DMXPTSQMSA-N 388.472 -0.331 30 20 GBED C=C[C@H](CC)CC(=O)N[C@@]1(CO)CCCN(CC(=O)NCc2cnn[nH]2)C1 1575071918 CMVGNXGOSQRTJK-KDOFPFPSSA-N 378.477 -0.034 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(CC(=O)NCc3cnn[nH]3)C[C@H]2C1 1575112069 NLPHUIYVEWTDAX-WTTBNOFXSA-N 388.472 -0.208 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588356717 FMUVJEPROPBKSE-VXGBXAGGSA-N 387.400 -0.810 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2Cl)C[C@@H]1O 1588358712 ZWEQQRFFAZFSMB-BIMULSAOSA-N 391.819 -0.381 30 20 GBED C=C[C@@](C)(O)CC(=O)NCC1(O)CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 1588505453 RDXXTBQQMAPCBM-QGZVFWFLSA-N 390.419 -0.004 30 20 GBED C=CCOCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 1588666321 CQVGQQBCKYZNAS-ZWNOBZJWSA-N 375.389 -0.911 30 20 GBED C=CCn1cc(C(=O)N[C@H]2CCN(c3nc(C)cc(-c4nn[nH]n4)n3)C2)nn1 1588713907 YPRGTXPPJPMDLK-NSHDSACASA-N 381.404 -0.249 30 20 GBED COC(=O)/C=C1\SCC(=O)N1CCCn1c(N)nc(C#N)c1-c1nn[nH]n1 1591255260 AYEAMCRUMHRPOB-YHYXMXQVSA-N 389.401 -0.503 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1781389053 NFOOQMZKBVKYST-RDTXWAMCSA-N 397.476 -0.112 30 20 GBED CN(C)C(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1783676062 NAPHDRIZKBBENP-IHRRRGAJSA-N 377.445 -0.459 30 20 GBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCO2 1785423033 OGSQCXOWZRRDAF-GOSISDBHSA-N 384.396 -0.726 30 20 GBED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1 1786845167 STUYLEZOSCZSCB-JYJNAYRXSA-N 375.473 -0.390 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786892470 DLZPMQMHYMJRDS-QXKUPLGCSA-N 380.489 -0.229 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3C[C@@H](O)C3)[C@H]2C1 1788117462 YNJKQZSFRLTOAF-CWMLVCKKSA-N 391.468 -0.405 30 20 GBED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(N)=O)C[C@@H]32)c1 1789510818 HAZUIXMPXFGDIQ-JYJNAYRXSA-N 385.424 -0.180 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nccn3)[C@H]2C1 1789968318 GATIKIBFTBKJQZ-UGUYLWEFSA-N 377.445 -0.151 30 20 GBED C=CC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 1790828150 LISYIRRTFPDGLE-GVRJEKJASA-N 380.489 -0.229 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)CC 1793244823 VUQXJQXJWZZFMQ-WVCIDPQESA-N 379.457 -0.471 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOC2=O)C3)c1 1798691484 RHEBKCLTSQGKPW-YWVIFJGQSA-N 387.396 -0.458 30 20 GBED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1831406440 OVQQMDVKLJKINQ-IBGZPJMESA-N 397.472 -0.486 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)OC)C2)C1 1839810951 YWCLMWDOADCMQV-JXXFODFXSA-N 390.436 -0.169 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1840841165 GRKFZDCCJIRQJT-IBGZPJMESA-N 389.408 -0.431 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)n1)C2 1842919552 JTDQFJHYIWSDDT-UHFFFAOYSA-N 388.428 -0.013 30 20 GBED N=C1NCCN1CC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844300094 LOCFCBCBHWAPHI-PPAWOMOGSA-N 392.460 -0.441 30 20 GBED C[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1848071744 KIYFGEMSZPHIKV-AVGNSLFASA-N 375.516 -0.763 30 20 GBED CCn1cc(C#N)c(=O)n(CCCCCn2c(=O)c(C#N)cn(CC)c2=O)c1=O 119051771 YAKVFLQWHARKFL-UHFFFAOYSA-N 398.423 -0.013 30 20 GBED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H](O)C[C@H]2CO)CC1 186526469 RCQNCNCZCVDKIV-OKZBNKHCSA-N 376.432 -0.038 30 20 GBED C/N=C(/NCCS(=O)(=O)NC(C)C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 262578851 PQICTCVKAVNABL-AWEZNQCLSA-N 389.522 -0.787 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC3CCOCC3)CC2)C1=O 265449644 OAEXDHCGGXSNLG-UHFFFAOYSA-N 378.429 -0.466 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 286763548 UILZRNNWMGQWHW-INIZCTEOSA-N 378.473 -0.397 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)OC)C(=O)OC)cc1 298088794 HCMQZNGPVVIZKO-CYBMUJFWSA-N 382.394 -0.567 30 20 GBED CN1CCOC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 329001276 VXIPVQDQZDVHMH-MRXNPFEDSA-N 378.454 -0.278 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H]2[C@@H](O)CC[C@H]2C1 349481732 ODMDIDHAHBZFPL-XQQFMLRXSA-N 385.467 -0.120 30 20 GBED CCCS(=O)(=O)N1CCC(NS(=O)(=O)N(CCC#N)CCOC)CC1 409597125 RREQNYVSKJLWTI-UHFFFAOYSA-N 396.535 -0.113 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@@H](C)O[C@@H](CO)C3)CC2)c1C#N 410977668 KVVYTNPWEAOXPJ-DGCLKSJQSA-N 393.469 -0.420 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3C[C@@H]4CNC[C@@H]4C3)C2=O)cc1 418900483 DBJXJZVVBNOLRV-UXLLHSPISA-N 381.436 -0.152 30 20 GBED C=C[C@H](CO)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 426847663 HHZVYWGJTVTEPP-UKRRQHHQSA-N 383.470 -0.121 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 431604224 MKPVDUFVIJRFCT-ZDUSSCGKSA-N 377.426 -0.272 30 20 GBED CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443073630 GOSVNEOUXXCOFE-GFCCVEGCSA-N 395.397 -0.518 30 20 GBED CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1F 511017118 OXVIQBPNDUYFQA-UHFFFAOYSA-N 378.407 -0.495 30 20 GBED COc1cc(OC)cc(C(=O)N2CCN(C(=O)NCC(=O)NCC#N)CC2)c1 511906967 AIABJSSCSPXUEJ-UHFFFAOYSA-N 389.412 -0.189 30 20 GBED Cc1nnnn1-c1ccc(F)c(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)c1 534243832 ISQHMNYYGHGCPB-UHFFFAOYSA-N 384.331 -0.519 30 20 GBED C=CC[C@H](CO)CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 537120625 ZIYFAEOGNOLENN-ZDUSSCGKSA-N 381.454 -0.279 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)n1 539178626 RZMJYLZKWNQQNV-LBPRGKRZSA-N 382.446 -0.186 30 20 GBED COC(=O)CN(CC#N)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F 542711890 GQXXGWCAUNPEBA-UHFFFAOYSA-N 379.391 -0.116 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCn4cnnc4C3)C2=O)cc1 554694910 RJDRNQRNRXSSLI-OAHLLOKOSA-N 393.407 -0.591 30 20 GBED CC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)C#N)cc1)C(N)=O 572135242 RPYJIHZNFIQHRU-GXFFZTMASA-N 388.471 -0.239 30 20 GBED COC[C@](C)(CC(=O)OC)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 578751439 MTZOLOUDJSVUJS-INIZCTEOSA-N 383.426 -0.079 30 20 GBED CS(=O)(=O)N1CCN(CCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 589401833 VWFXYTNIZNHGKT-UHFFFAOYSA-N 397.432 -0.671 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@@H]2C(=O)N(C)C(C)C)C1=O 591170549 BYIMUQWSQFYDNN-LLVKDONJSA-N 382.442 -0.269 30 20 GBED CS(=O)(=O)N1CCN(CCNC[C@H](O)COc2ccc(C#N)cc2)CC1 591729149 BASSXXUHRBTRBU-INIZCTEOSA-N 382.486 -0.535 30 20 GBED Cn1cc(C#N)c(=O)n(CC(=O)NCc2ccccc2Cn2cccn2)c1=O 598951960 YZTTVLZXORAZDX-UHFFFAOYSA-N 378.392 -0.020 30 20 GBED C=CCN(CC=C)C(=O)[C@@H](C)n1cc(CNC(=O)CN2CCCNCC2)nn1 640918779 DQQSODAXYQIRQT-MRXNPFEDSA-N 389.504 -0.049 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(CCOCCOC)CC2)C1=O 652472269 CRYAWKMIQDAKKA-INIZCTEOSA-N 396.488 -0.961 30 20 GBED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN([C@H]2CCOC2)CC1 669058833 DOKPMYMZSRADNZ-KBPBESRZSA-N 384.506 -0.015 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCNC(=O)C3)CC2)o1 761219032 QNCSRFFSDXGBRZ-LBPRGKRZSA-N 375.385 -0.427 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](S(C)(=O)=O)C2)c1=O 763386342 ZLKBNSHXPUWFHA-CYBMUJFWSA-N 384.458 -0.990 30 20 GBED CC(C)CNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 769203698 ITSVQUZBDCAYKR-UHFFFAOYSA-N 396.425 -0.138 30 20 GBED COC[C@](C)(C#N)NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 771577054 AHIGCIOLTHHUOA-ZDUSSCGKSA-N 383.206 -0.063 30 20 GBED C=CCS(=O)(=O)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 772721590 TZPPDLZLADTEID-UHFFFAOYSA-N 377.400 -0.153 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)[C@@H]1CCCO1 809309995 AADMXFFPRHQBON-KKUMJFAQSA-N 383.470 -0.690 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 832614813 UCTMJQBFCHYGMN-LLVKDONJSA-N 381.410 -0.396 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 893824761 AZXNNNRUYHTVNT-RRFJBIMHSA-N 382.486 -0.261 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@H](OC)C1 944188033 IDWSPXZVFGIMIT-LVQVYYBASA-N 390.440 -0.515 30 20 GBED C#Cc1cncc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@H](OC)C2)c1 946794390 MHIWALIJCAABOQ-YALNPMBYSA-N 384.436 -0.080 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cn(CC)nn2)C[C@@H]1O 964610610 JWHPTPSXEXJCJA-WCVJEAGWSA-N 377.445 -0.490 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(OC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 994815439 CVTQLXBNRZQSJZ-NCOADZHNSA-N 391.468 -0.083 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)C[C@H]21 1022750824 UIGMAKKHULHODG-DGAVXFQQSA-N 388.428 -0.973 30 20 GBED COCC#CCN1CC(N2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2=O)C1 1108555733 XJMHMVURXLRXQV-RIVXBTQJSA-N 375.469 -0.147 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NCCC 1110461847 LFZQSHQXVAWGFX-MCIONIFRSA-N 377.445 -0.917 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CCC(=O)N1C 1110936329 HZJVWFIFQQDCMD-YIYPIFLZSA-N 377.445 -0.660 30 20 GBED N#Cc1ccccc1S(=O)(=O)NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1116161106 IXZRZMMZBXXISL-FKGLVLAHSA-N 389.389 -0.474 30 20 GBED C=CCn1c(CN2CCC[C@@H](O)C2)nnc1N1CC[C@@H]2OCC(=O)N[C@H]2C1 1121633992 NPZLTTNHGJDAOO-ILXRZTDVSA-N 376.461 -0.486 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1 1219661104 UWYQFQPUHSZDSG-JKJDWNRSSA-N 376.457 -0.238 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2CCn3cnnc3C2)CC1 1324872241 LDQVPDLUAFBATJ-UHFFFAOYSA-N 383.387 -0.020 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCC[C@@H]3C(=O)NC3CC3)CC2)nc1 1325617796 JPWMLXQSJOYPLY-MRXNPFEDSA-N 396.451 -0.129 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)NCCN2C(=O)CCC2=O)CC1 1328944085 LGSMHXFBXIOGEQ-UHFFFAOYSA-N 389.437 -0.466 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1329099367 OLZOGYQFDWTSCN-UHFFFAOYSA-N 387.436 -0.326 30 20 GBED COCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 1343983161 QFCUJWFKNHIGKI-OAHLLOKOSA-N 394.453 -0.046 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1CN(c2cc(C)ncc2-c2nn[nH]n2)CCO1 1573286970 JPJPFUZGWGJACF-UONOGXRCSA-N 385.428 -0.070 30 20 GBED C=C(C)CN(CC)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H](C)OCc2cnn[nH]2)C1 1575047918 HFKHMFIGGWTLHK-IMJJTQAJSA-N 394.476 -0.704 30 20 GBED C=C1CC(C)(C(=O)NCCN2CCC(NCC(=O)NCc3cnn[nH]3)CC2)C1 1575061766 MJZICEHZNQNOEY-UHFFFAOYSA-N 389.504 -0.053 30 20 GBED CC(C)(C)C(=O)NCCn1c([C@@H]2COCCN2)nnc1N1CCO[C@H](C#N)C1 1575105902 BFLVTIGZUDRPSX-KGLIPLIRSA-N 391.476 -0.170 30 20 GBED C[C@@H](C(=O)NCc1cnn[nH]1)N1CCO[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1575228809 YXLFHDHDIZZMLI-SMDDNHRTSA-N 386.416 -0.860 30 20 GBED N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cn3)C[C@H]2O)[nH]1 1581868043 FSRAAAQXSXJJIC-TZMCWYRMSA-N 379.384 -0.169 30 20 GBED N#Cc1nc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)cnc1-c1nn[nH]n1 1581879790 XUTCCNWTUHDBCI-INIZCTEOSA-N 390.411 -0.123 30 20 GBED C#CCNCCC(=O)NC[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588353831 IUTFLLLZGJNUFD-AWEZNQCLSA-N 384.444 -0.081 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@@H]2O)c1 1588379236 CVKUCPKKKHQVLX-KGLIPLIRSA-N 377.368 -0.988 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCC3(CC(C(=O)O)C3)O2)C1=O 1588463927 BFXCZWIIFXAOHJ-VVHFOWEKSA-N 379.369 -0.508 30 20 GBED COC(=O)CC[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)O 1593846359 OWTNTSBBCZPSIW-ZDUSSCGKSA-N 382.394 -0.004 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[nH]n1 1602721254 BSLJMXFOPDJXIO-KBPBESRZSA-N 381.444 -0.161 30 20 GBED N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H]2COCCO2)CCO1 1712886373 QVCGPMGPBRHWIK-KGLIPLIRSA-N 376.417 -0.455 30 20 GBED NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779021300 MFJLQOJYIDDVPS-BAOGCXAUSA-N 379.461 -0.447 30 20 GBED COC(OC)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779099433 GNHMPFLXNQCXPY-XQGPJPATSA-N 399.444 -0.036 30 20 GBED CCOC(=O)C1(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1 1782922240 GJBZYXMUMWOLHG-QGZVFWFLSA-N 378.381 -0.752 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)COc1ccc(O)cc1)CCO2 1783557227 YDCUCRZBTAMPQD-LJQANCHMSA-N 388.376 -0.311 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1783565443 MOFVPEUYWNHGQP-INIZCTEOSA-N 376.325 -0.546 30 20 GBED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(C)C(=O)CC3)[C@H]2C1 1784981696 RFBDWVBMNACIKM-UHXUPSOCSA-N 382.486 -0.107 30 20 GBED NC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)c1ccccc1 1786923659 DKOWUZMQHFGQOM-XSLAGTTESA-N 399.447 -0.203 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)C3)[C@H]2C1 1790860342 WEMATQNAOCGRKH-QXKUPLGCSA-N 394.472 -0.097 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1791267167 XZLBGPRKXPYDBW-NAKRPEOUSA-N 397.419 -0.037 30 20 GBED C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1791284496 KUKBJOHCCCFCMB-WZTLGTBRSA-N 393.440 -0.114 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN(C)C)C2 1792485566 MSPMNDSWYODZNE-XOGJXXCJSA-N 378.473 -0.614 30 20 GBED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1797646591 LTEDJZCDLFVDOU-RIUYPTKQSA-N 392.500 -0.063 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2 1797712331 CTDCYODZQNWNPM-UXXRCYHCSA-N 392.460 -0.603 30 20 GBED N#Cc1ccc2[nH]nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)[C@@H](N)CN)C4)c2c1 1800874223 RVNWMBFMZGWPJO-XFMPKHEZSA-N 381.440 -0.028 30 20 GBED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1 1801434076 FMNCSBRPQQPHOX-PDWCTOEPSA-N 382.490 -0.222 30 20 GBED N#CCCC(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804345490 YTKXZAMQPBVURN-CKEIUWERSA-N 398.423 -0.011 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccco1)CCO2 1833052268 LTTRYUPBRTUYMT-IBGZPJMESA-N 390.392 -0.243 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1 1833221209 UKMRKAYYORRCLC-HNNXBMFYSA-N 383.489 -0.558 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc[nH]3)CCO2)C1 1833712753 OOQPRJPPYIOLHS-KBXCAEBGSA-N 376.413 -0.482 30 20 GBED CC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)C(C)(C)C 1834755967 PAKKJQDQMBTMBD-APWZRJJASA-N 394.472 -0.093 30 20 GBED COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835348285 UITFRAYORGNXFI-QGZVFWFLSA-N 380.401 -0.897 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1839806409 AAUYQGPKKHOBBQ-HXUWFJFHSA-N 395.419 -0.030 30 20 GBED Cc1ccnc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840042891 URPPITVWTNAZRU-IBGZPJMESA-N 387.392 -0.452 30 20 GBED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)nn1C 1840161821 BTNHTENHXBDLCS-SJCJKPOMSA-N 398.485 -0.183 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1840842216 UHTDOSHZPWXQFI-SFHVURJKSA-N 390.396 -0.629 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)/C=C\C(=O)NCC=C)C1 1841053437 QJEWCPFOLVYWDC-VRHVFUOLSA-N 386.452 -0.093 30 20 GBED C=C(C(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2)C(F)(F)F 1846015004 YBYUHQXIROKVJI-ZDUSSCGKSA-N 377.363 -0.041 30 20 GBED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O 1847803715 KZJAABUDQSSKDG-RDBSUJKOSA-N 378.429 -0.231 30 20 GBED C=C(C)CN(CC)C(=O)[C@@H](C)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 276483018 SZIHSNOQMHMROW-CQSZACIVSA-N 378.477 -0.238 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](CC)C(=O)N2CCOCC2)CC1 286828881 WZYVHDFBDZUNPW-INIZCTEOSA-N 380.489 -0.103 30 20 GBED CN1C(O)=N[C@@H]2CN(/C(O)=N/CCS(=O)(=O)N3CCSCC3)CC[C@@H]21 329147149 XOZVHHMYNOPLSP-NEPJUHHUSA-N 391.519 -0.419 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 349457195 DQEPTOODIOIHRG-UXXRCYHCSA-N 389.499 -0.235 30 20 GBED C=CCNC(=O)NC(=O)CN1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 364620515 UAPVEFOPQVFCPP-CYBMUJFWSA-N 376.479 -0.629 30 20 GBED Cn1c(N)c(C(=O)CN2CCC[C@]3(CCCCO3)[C@@H]2C#N)c(=O)n(C)c1=O 366099420 YLYBLWHJVLKRNC-SCLBCKFNSA-N 375.429 -0.224 30 20 GBED N#Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)cc1Cl 424434967 FBTKDTQLGZRUBR-NSHDSACASA-N 385.785 -0.140 30 20 GBED CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccnn2C)c1=O 502051894 NLPCUYDRJVRHFR-ZDUSSCGKSA-N 387.465 -0.539 30 20 GBED Cn1c(=O)nc(O)c2cc(C(=O)N(CCC#N)CCN3CCOCC3)cnc21 502544941 GSVBSIWOBDOPCW-UHFFFAOYSA-N 386.412 -0.278 30 20 GBED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(=O)OC)C1 567254031 YKOUGALROIOYCZ-NEPJUHHUSA-N 387.462 -0.157 30 20 GBED Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)NCC#CCO)cc1C 581557825 WOMGJNCXCMLQLD-HNNXBMFYSA-N 381.454 -0.672 30 20 GBED C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N)C(C)(C)O 594637537 NTFOWHVPCNMXNN-JTQLQIEISA-N 393.491 -0.498 30 20 GBED C[C@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncc(C#N)s1 594637893 RUJNUGCCNPREPP-VIFPVBQESA-N 382.489 -0.211 30 20 GBED CC[C@@H](CO)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 727058322 PTFUXJAOBFRVGF-HNNXBMFYSA-N 380.470 -0.248 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 728608457 AGTRUUFWARNWBW-UHFFFAOYSA-N 387.396 -0.782 30 20 GBED C[C@@H](CC(=O)OCC(=O)N1CCNC1=O)/N=C1/NS(=O)(=O)c2ccccc21 745494836 CAHWMCCVMMPMQD-JTQLQIEISA-N 394.409 -0.401 30 20 GBED CC(C)(CO)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 760203974 MCNDYDHCVQBSHQ-UHFFFAOYSA-N 380.470 -0.360 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1 771757359 SKVUYEFDSWGVTF-LJQANCHMSA-N 385.512 -0.228 30 20 GBED C=CCS(=O)(=O)NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 772710021 MAPJINCIGDNVEC-UHFFFAOYSA-N 391.471 -0.489 30 20 GBED N#CCc1ccccc1CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 776871868 XVSUPWJAQCYDFU-IRXDYDNUSA-N 377.466 -0.091 30 20 GBED CC[C@H](C#N)Oc1cccc(CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)c1 781967905 RYONZRVCMUJQHC-DGCLKSJQSA-N 382.442 -0.223 30 20 GBED CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 804546112 KFKSFJAQOLDPSU-MRXNPFEDSA-N 392.481 -0.226 30 20 GBED Cc1cc(S(N)(=O)=O)cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)c1C 826272489 LZRXSRVVNIUGSR-UHFFFAOYSA-N 387.385 -0.022 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccsc2C(=O)O)CC1 833377226 RZPSWQYOPVLUGN-UHFFFAOYSA-N 380.426 -0.169 30 20 GBED C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NS(=O)(=O)CCC#N)C1=O 835411430 JTDHLGIKWFEJGJ-OAHLLOKOSA-N 382.373 -0.048 30 20 GBED O=C(N[C@@H]1CCCN(O)C1=O)c1ccc(C(=O)N[C@@H]2CCCN(O)C2=O)nc1 848131788 CVOSJHNFBYBQAU-CHWSQXEVSA-N 391.384 -0.698 30 20 GBED C#CC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 854547955 MKVNEAQTQCHRMA-INIZCTEOSA-N 393.465 -0.347 30 20 GBED CN(CCCNC(=O)COC(=O)CNc1ccc(C#N)cc1)S(C)(=O)=O 919627708 CLXOBVFSNHINCZ-UHFFFAOYSA-N 382.442 -0.089 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@@H]1O 964489957 ORTLVHKMIUZSOH-GUSZCTEKSA-N 390.440 -0.052 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@@H]1O 964503735 OSSCRGMJBOHVFC-UKMLZYKCSA-N 388.424 -0.537 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@@H]1O 964611036 YQUDXCYOXWRQHC-OJLVUWQFSA-N 375.425 -0.332 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)nn1 974142664 FTDNFNBCJOUUQF-JHZZJYKESA-N 375.429 -0.107 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)[C@@H]1C 988303601 JWIFOMCEAIRFHK-CXTNEJHOSA-N 390.444 -0.536 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cn(CC)nn2)C1 1025058253 WGHXONFPHWPMNM-HWMZRRJGSA-N 377.445 -0.490 30 20 GBED N#Cc1nccnc1N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCc1nnc(O)nc1O 1092926718 MIJUSQFRCAWNML-CDMKHQONSA-N 382.384 -0.197 30 20 GBED N#Cc1cccc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n1 1117640838 VSKNHYNJFFMZFA-CQSZACIVSA-N 392.437 -0.559 30 20 GBED CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@](F)(C#N)C1 1315070000 KUYGGIFZLAQFOH-AWEZNQCLSA-N 382.425 -0.330 30 20 GBED CC(C)N1CCC[C@H](CNC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1321976358 NFTJODPBIYXQSJ-UVTIVQHFSA-N 391.472 -0.134 30 20 GBED CC(C)(C)OC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCO1 1329275102 YLPRRLGHOUEIOE-HUUCEWRRSA-N 392.456 -0.246 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(C3CCOCC3)CC2)C1=O 1339663086 LEJSKNDSJLXVST-UHFFFAOYSA-N 378.429 -0.277 30 20 GBED C=CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1350529437 CHZKFGIBKFFXNJ-CYBMUJFWSA-N 384.444 -0.004 30 20 GBED C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)NC)[C@H]1CCS(=O)(=O)C1 1574674357 XWLXECVECSPSEI-KGLIPLIRSA-N 396.517 -0.349 30 20 GBED C[C@H](OCc1cnn[nH]1)C(=O)N1CCCC[C@H]1CCNCC(=O)NCC#N 1575823289 OSTZOKWQDSOJKG-ZFWWWQNUSA-N 377.449 -0.290 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1588351512 XPVHUZTUKIRGPW-KGLIPLIRSA-N 381.444 -0.421 30 20 GBED C#CCN(CC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)O)C(=O)OC(C)(C)C 1588466195 ZGGYZJOJOOKXDF-GFCCVEGCSA-N 388.442 -0.043 30 20 GBED N#Cc1cccnc1N1CCN(C(=O)NCCOCCOCC(=O)O)CC1 1594631945 NZOABYIRJCBPBC-UHFFFAOYSA-N 377.401 -0.097 30 20 GBED N#C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)O)CC1 1601047736 BZIHTIWKAAUEIV-LBPRGKRZSA-N 381.410 -0.214 30 20 GBED C#CCCCNC(=O)C(=O)N1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 1602711537 WVOMOIAAIYWUFU-UHFFFAOYSA-N 385.432 -0.913 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[nH]n2)C1 1602721798 WTRSLXNUZGXWKO-KGLIPLIRSA-N 381.444 -0.161 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCNC[C@H](O)COc1ccccc1-c1nn[nH]n1 1607036857 BRPWWJBKDUPUDI-UFZXGQNFSA-N 399.411 -0.278 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779096515 NUEPXTJCUMUKLX-HKUYNNGSSA-N 379.457 -0.730 30 20 GBED COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1779322249 HFSFTUQWUREBEM-KXBFYZLASA-N 392.456 -0.339 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)c1 1780600640 ZYSVBLAUIKDJTF-SFHVURJKSA-N 381.396 -0.312 30 20 GBED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)CN)C3)c1 1799745469 OERJEOLJTMAGFT-VZAMPYOESA-N 375.404 -0.813 30 20 GBED CC(=O)Nc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc1 1800778962 YYSQNFSFLRJTRW-CCWDJLKJSA-N 399.403 -0.064 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1803544875 YCCXXHCNMHZODM-KYJSFNMBSA-N 397.439 -0.188 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)Cn2ccnn2)[C@H]1c1cccnc1 1807694224 XXLQQFJANKIKBV-RDTXWAMCSA-N 382.380 -0.533 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1831393439 LZWDRCIWWAHLDG-VQIMIIECSA-N 390.440 -0.622 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1832451858 MUTQTHZDCMAIBA-QGZVFWFLSA-N 395.485 -0.346 30 20 GBED CC(C)[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833349469 LSFFPCHBVHEASP-SFHVURJKSA-N 379.457 -0.337 30 20 GBED COC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835343159 ZHEYDLUAVRZEBN-GOSISDBHSA-N 379.413 -0.300 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1835353731 CEELCVUIJIUWFB-HKUYNNGSSA-N 387.440 -0.158 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCOCC1)CCO2 1835393469 ZBKFEHXHBKORHG-HXUWFJFHSA-N 391.468 -0.812 30 20 GBED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(CN(C(=O)CN)CCO2)C1 1835555557 GOKVJAKDZMYYAQ-LJQANCHMSA-N 388.424 -0.648 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cscn1)CCO2 1836045437 PCZZDMNWFLHGMB-KRWDZBQOSA-N 393.421 -0.770 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)CC)C2)C1 1839176584 XCFOPMCXWWSSDA-LJQANCHMSA-N 396.440 -0.069 30 20 GBED CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839228110 SNZRPUWCOTWSRV-RDTXWAMCSA-N 398.460 -0.620 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839238128 VPXAHPXPSITGJK-YJBOKZPZSA-N 377.445 -0.053 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCO2 1839874342 WNVWFCBTASJXQM-KSSFIOAISA-N 399.513 -0.113 30 20 GBED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1)C(F)(F)F 1839893984 CBUAYGMUKDLCBB-DOMZBBRYSA-N 393.362 -0.304 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1840842130 PAAJJIQQGUKBMK-MRXNPFEDSA-N 388.367 -0.034 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1841055597 MNVPSUILCUXTBJ-LMVHVUTASA-N 395.481 -0.375 30 20 GBED C=CCSCC(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2 1841883684 YSAAWEHWOMXHGP-UHFFFAOYSA-N 377.403 -0.166 30 20 GBED O=C(Cn1cnnn1)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844300258 ULKYLPMJWWXSLX-RIEVCORGSA-N 377.405 -0.595 30 20 GBED Cn1c(=O)n(CC(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)c2ccccc21 1846195572 HQDNZCRXGBPBPB-UHFFFAOYSA-N 396.403 -0.369 30 20 GBED C=CCN(C(=O)CN(C)S(=O)(=O)c1cccnc1)[C@@H]1CCS(=O)(=O)C1 57238788 RQERXZPBHCPYAG-CYBMUJFWSA-N 387.483 -0.096 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)CC1 286420207 FUQCKZCOLQEYEE-UHFFFAOYSA-N 379.505 -0.578 30 20 GBED CC(=O)N1CCN(C(=O)CC/N=C(/O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 330089286 VTAKCAAHZPJGQO-ZDUSSCGKSA-N 376.417 -0.200 30 20 GBED CC(C)n1[nH]cnc1=NS(=O)(=O)CCCS(=O)(=O)N1CC(C#N)C1 349507836 VZLJTLQYMAMFAF-UHFFFAOYSA-N 376.464 -0.802 30 20 GBED CCOC(=O)CN1CCCN(S(=O)(=O)N(CCC#N)CCOC)CC1 374423647 NRYLHTCBPQHENN-UHFFFAOYSA-N 376.479 -0.336 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC[C@@H](C(=O)OC)C1CCOCC1 410147069 GZAWMTBTZSYBKM-CQSZACIVSA-N 377.463 -0.101 30 20 GBED COCCNCCCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 442161905 BJBXTCOTDXHZMZ-UHFFFAOYSA-N 388.403 0.564 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N(C)Cc2csc(C)n2)CC1 459882903 HFHITIVWYDZTHZ-UHFFFAOYSA-N 379.486 -0.144 30 20 GBED C=CCN(CC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 533524252 NNBNSQSAWYLCMI-CYBMUJFWSA-N 381.520 -0.941 30 20 GBED CC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)Nc2ncc(C#N)s2)C1 594639023 FKAGATDNSYYNMB-UHFFFAOYSA-N 394.500 -0.067 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cnn(C(C)(C)C(=O)OC)c2)C1=O 595023652 XNXPCAVGAMRPDS-ZDUSSCGKSA-N 391.428 -0.025 30 20 GBED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[C@@](F)(C#N)C1)CC2 615627835 GXAMZAGTJLDZRM-MRXNPFEDSA-N 380.401 -0.052 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)NCc2ccc(OC)c(OC)c2)CC1 728573619 SJCWHTYQQYXOKG-UHFFFAOYSA-N 388.468 -0.313 30 20 GBED C=C(COC(=O)CNS(=O)(=O)c1ccccc1-c1nn[nH]n1)C(=O)OCC 735402568 XIESZXCKNQCPKT-UHFFFAOYSA-N 395.397 -0.193 30 20 GBED CCNS(=O)(=O)CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758471629 DNBHVSSUAPLEQP-NWDGAFQWSA-N 389.478 -0.016 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2ccc(N3CCCCC3)o2)c(=O)n(C)c1=O 771889196 IVEHCUNHWGCTDS-UHFFFAOYSA-N 395.441 -0.020 30 20 GBED C=CCS(=O)(=O)NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 772721191 GPYAIRMXQAEWGJ-UHFFFAOYSA-N 389.455 -0.103 30 20 GBED CN(CC(=O)NS(=O)(=O)CC1(C#N)CC1)C1=NS(=O)(=O)c2ccccc21 793196616 YMYBQMQGZQFWRE-UHFFFAOYSA-N 396.450 -0.183 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(c2nc(O)n[nH]2)CC1 819579271 CXYXIXGSMBCSKJ-UHFFFAOYSA-N 390.425 -0.045 30 20 GBED C[C@H](CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)S(N)(=O)=O 853990965 YRVTYEURIZZWRU-MXWKQRLJSA-N 375.451 -0.278 30 20 GBED C#CCN1CCN(C(=O)c2cnc(C(=O)N3CCN(CC#C)CC3)cn2)CC1 900690318 QAGHIUWJLOABCE-UHFFFAOYSA-N 380.452 -0.741 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2NC(=O)NC2=O)nc1 998948825 RJHCQFHCLFTRFR-UNQGMJICSA-N 381.392 -0.477 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 999812972 KQTRWYWPBLVZMI-FZKCQIBNSA-N 379.457 -0.070 30 20 GBED C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CC(=O)NC2=O)c1 1000169804 XJKNYVRZLAAHJX-ILXRZTDVSA-N 381.392 -0.524 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1O 1023957945 DIVWMUZDOAJEDR-FPCVCCKLSA-N 375.425 -0.332 30 20 GBED C#Cc1cncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3ccnn3C)C2)c1 1025061298 ZENDIQHOJGPIED-YFHUEUNASA-N 379.420 -0.098 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(Cc2nnnn2C)C[C@@H]1n1ccnn1 1070051556 BFVSWCJSGIGJCI-FQLMCAECSA-N 387.448 -0.676 30 20 GBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1103431707 RDQMBRFMXWSCEC-FPCVCCKLSA-N 393.488 -0.664 30 20 GBED C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@@H](C)C(=O)NC(N)=O)CC1 1110152047 HHCRQSMTLGEXPF-UKMLZYKCSA-N 375.473 -0.364 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn2nc(C)cc2[nH]c1=O 1111142875 XCRMFUBJOLZBHZ-YUELXQCFSA-N 382.424 -0.584 30 20 GBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Cc1ccc(OCC#N)cc1 1116028269 NEHRFRKFWXDKMV-AWEZNQCLSA-N 379.438 -0.107 30 20 GBED C=CCn1cc(CNC(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)nn1 1118169131 APLDTGCQUKQSHO-CYBMUJFWSA-N 396.407 -0.076 30 20 GBED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N(C)Cc1cccc(C#N)c1 1261197031 SOQCIYRNXPVMLH-UHFFFAOYSA-N 381.458 -0.535 30 20 GBED COc1cc(NC(=O)C(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)c(F)cc1C#N 1261824930 OITCLHPBIAHHDY-LLVKDONJSA-N 399.400 -0.348 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@@H]3CCS(=O)(=O)C3)CC2)c1 1322192447 XPKCWCNBGPMSKZ-AWEZNQCLSA-N 391.453 -0.847 30 20 GBED CCN1C[C@H](C)N(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1326597130 PELZVZAQOIHFFD-SAFUZZNQSA-N 377.445 -0.430 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(C(=O)c2ccsc2)CC1 1327402629 HKHHLJNITIXPLE-UHFFFAOYSA-N 399.494 -0.251 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 1338909499 MBLQZCKXQYSGSZ-BKJYESAMSA-N 377.445 -0.247 30 20 GBED C=CCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@](C)(O)COC 1338982649 VDAFLKQCQQFGKT-GOSISDBHSA-N 394.476 -0.108 30 20 GBED N#C[C@@H](C(=O)CCS(=O)(=O)C1CCCC1)C(=O)N1CCS(=O)(=O)CC1 1341787307 OVGHYDMCGCHVAO-ZDUSSCGKSA-N 390.483 -0.300 30 20 GBED C[C@@H](Sc1nnnn1C1CC1)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1342562148 XDFGRSJDQKWZGG-KOLCDFICSA-N 398.470 -0.546 30 20 GBED C=CC1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)CCCOC)CC2)CC1 1344776923 UOFKLCMMDTTZSO-UHFFFAOYSA-N 387.502 -0.079 30 20 GBED C=CCNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1ccc(-c2cnn[nH]2)cn1 1575109132 VKGPQDUGIMRBDP-LLVKDONJSA-N 386.416 -0.414 30 20 GBED CC(C)C#CC(=O)N1C[C@H]2CCN(C(=O)CC(=O)NCc3cnn[nH]3)C[C@H]2C1 1575318981 UXGXGBJRDAXLCC-CABCVRRESA-N 386.456 -0.223 30 20 GBED CN(C[C@H](O)CN(C)c1ccc(C#N)nn1)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1579024591 IUOIAZXHXTUKSJ-LLVKDONJSA-N 382.388 -0.574 30 20 GBED C#CC[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O 1588332052 VDZNJEZVXHOQMO-JSGCOSHPSA-N 397.395 -0.428 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 1588404608 JFXZSIFNKDUCNZ-OLZOCXBDSA-N 385.432 -0.178 30 20 GBED C=CCOCC(=O)NCCN1CCC(N=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1588676405 SZMHIFCVDXTLBV-UHFFFAOYSA-N 387.448 -0.726 30 20 GBED C=CCSCCNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 1602869078 AITUYECTQWXAHO-UHFFFAOYSA-N 393.477 -0.402 30 20 GBED O=C(Nc1cnn(-c2ncccc2-c2nn[nH]n2)c1)N[C@H]1CCCN(O)C1=O 1606946323 QNPXWGKXWMNQOB-NSHDSACASA-N 384.360 -0.051 30 20 GBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1752538434 KYNDKUNDHUOMOM-ZCVDQKGDSA-N 375.469 -0.149 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1779316702 FUNBCLYWBOZARR-LPHOPBHVSA-N 379.457 -0.229 30 20 GBED O=C(C#CC1CC1)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782672948 RZIILZYVMAYHJV-IBGZPJMESA-N 386.408 -0.196 30 20 GBED CC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)ON=C(C)C)[C@H]2C1 1789957188 KSFILYJVAGDVTK-TUUVXOQKSA-N 382.461 -0.097 30 20 GBED CC(=O)O[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)C(C)C 1791076713 FNLISEVXYKJRNO-XSWJXKHESA-N 394.424 -0.358 30 20 GBED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccn1)C2 1797740930 FSXAUEOJXSVJAE-DUHNODEQSA-N 388.472 -0.056 30 20 GBED CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1797756880 PMGDNVIQVRRBNP-DABQJJPHSA-N 381.502 -0.390 30 20 GBED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COC(=O)C(F)(F)F)C2 1801990107 KSFSMGOZYUHQEQ-ILWJIGKKSA-N 376.287 -0.182 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CNC(=N)N)[C@@H]1c1cccnc1 1807053143 XEISGTWYROVNOT-UNEWFSDZSA-N 386.456 -0.391 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)CCn2ccnn2)[C@@H]1c1cccnc1 1813436863 TTWGAFBDFCTPOC-BEFAXECRSA-N 396.407 -0.143 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CCNC(C)=O)C3)C2)C1 1829673512 NHTWMCNJMHSGJK-IBGZPJMESA-N 379.457 -0.065 30 20 GBED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056471 ANRZXWGXRVOANE-KUHUBIRLSA-N 394.472 -0.141 30 20 GBED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835397242 AHEICJUNDFAUPB-XLIONFOSSA-N 395.500 -0.013 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835849850 LLAHFXOHMXDRRE-FZKQIMNGSA-N 392.412 -0.776 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1836508163 NLWZUTSGBIJYCO-ZUZCIYMTSA-N 399.429 -0.294 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4c[nH]c(=O)cn4)CCO3)C2)C1 1838632917 PWPVAHVAJKOILS-IBGZPJMESA-N 388.424 -0.194 30 20 GBED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)CC1 1838773948 FUUFPHYIWQFRFW-MNZLEMJZSA-N 390.436 -0.035 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1840158475 MVBNTXMEPCIVJT-SUMWQHHRSA-N 380.470 -0.206 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1840842819 CDZZZUBXTOIUDY-HNAYVOBHSA-N 377.441 -0.453 30 20 GBED Cc1ccn2c(=O)c(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)cnc2c1 1846195730 XGGZNMGLFCNKDT-UHFFFAOYSA-N 394.387 -0.092 30 20 GBED C=CCCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 66318622 HSEMLWVUHVHSGN-UONOGXRCSA-N 394.515 -0.371 30 20 GBED CN(C)C(=O)[C@H]1CCCN1CCC/N=C(\N)N1CCN(c2ncccn2)CC1 264314347 VSEUYVYFCVDQRY-MRXNPFEDSA-N 388.520 -0.144 30 20 GBED C/N=C(/NCCN1CCOCC1)NCc1ccc(N2CCN(C)CC2)nc1 264993211 RGPLGLGGXGUQDF-UHFFFAOYSA-N 375.521 -0.169 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(C)nn(CC)c2C)CC1 267019944 JNLSUWSACRXLHH-UHFFFAOYSA-N 381.502 -0.034 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCC(=O)N1CCOCC1 268746535 HXBJGZDFSNGIQO-CYBMUJFWSA-N 394.453 -0.410 30 20 GBED CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 286877971 HZYXNOIMOZODQN-OALUTQOASA-N 398.511 -0.415 30 20 GBED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 287176134 DRUGILUZJVOUPA-UHFFFAOYSA-N 381.454 -0.029 30 20 GBED C[C@H](O)CN(C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@H](C)CO 297616390 BRVWCMSTBHJAFZ-KGLIPLIRSA-N 375.429 -0.808 30 20 GBED Cn1ccnc1[C@@H]1N(S(=O)(=O)CCCS(=O)(=O)NCC#N)CC1(C)C 349461938 AIMILOUYCQLXLQ-LBPRGKRZSA-N 389.503 -0.034 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nnc2n1CCOC2 365142589 OAYRZPRGBMQCIH-LLVKDONJSA-N 390.425 -0.337 30 20 GBED CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 410666176 YILYEHNGCYXOLQ-ZIAGYGMSSA-N 386.412 -0.537 30 20 GBED CCN(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@@H]1CCNC1=O 443246856 HYHYSQFVVDFACG-CQSZACIVSA-N 384.371 0.559 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 452064048 DJRAPCAUOMQHCL-AWEZNQCLSA-N 398.489 -0.327 30 20 GBED COCCOCCCNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460616060 VSLPFYRESBLTJY-UHFFFAOYSA-N 386.412 0.555 30 20 GBED COCCCNC(=O)CN(C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 502196612 PCZHNRNOBPURCT-UHFFFAOYSA-N 392.460 -0.412 30 20 GBED C=CCn1c(N)nnc1SCC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 531489520 KDAZESPFONNARF-NSHDSACASA-N 389.503 -0.200 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 537152024 XHYIULGALZYJFA-UHFFFAOYSA-N 398.427 -0.693 30 20 GBED COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1=O 538104639 LODHEICQEGJQSG-LBPRGKRZSA-N 390.400 -0.446 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)C1=O 554056869 LXEFUXWORYJPLZ-IKGGRYGDSA-N 392.500 -0.009 30 20 GBED Cn1cc(N2CC[C@H](NC(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)C2=O)cn1 557367818 FJSDUZQSHFSXLI-ZDUSSCGKSA-N 398.427 0.103 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCc4c[nH]nc4C3)CC2)nc1 558372199 LMHHBWPNMZZQHF-OAHLLOKOSA-N 379.424 -0.001 30 20 GBED CO[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)C[C@H]1O 579250608 ZHWVXCIQEBLFCQ-ZLKJLUDKSA-N 381.410 -0.471 30 20 GBED C[C@H]1CCCN(C(=O)C2CCN(C(=O)Cn3c(=O)[nH]cc(C#N)c3=O)CC2)C1 580893368 WUFLIZBCVJHLHR-ZDUSSCGKSA-N 387.440 -0.095 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCSC2)s1 594637507 ZCSGBLSSPDTLHD-VIFPVBQESA-N 396.541 0.571 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)C[C@@]1(C)CO 595963453 SHVVYULLPCRJIZ-OLZOCXBDSA-N 379.504 -0.368 30 20 GBED CN(C)S(=O)(=O)NCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 597560731 BIFACNXPFBGPTQ-AWEZNQCLSA-N 379.442 -0.829 30 20 GBED C=C[C@H](CO)NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 662167627 CGWCBDZAEAFTET-OAHLLOKOSA-N 383.470 -0.540 30 20 GBED C#CCCN1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 732069032 ZBZALQSSMQHCNF-GOSISDBHSA-N 376.501 -0.133 30 20 GBED COC(=O)C[C@]1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCOC1 766785775 WHXQYPXVMRKSLT-MRXNPFEDSA-N 381.410 -0.437 30 20 GBED COc1ccc2[nH]cc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)c2c1 771897565 GESVQLWMFSEPDL-UHFFFAOYSA-N 391.409 -0.114 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)cc1 774831676 IPKJQEOFCULUNQ-GDBMZVCRSA-N 393.465 -0.036 30 20 GBED C=CCOc1cccnc1C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 778134816 BSUHMQPTKUYMOU-LLVKDONJSA-N 397.409 -0.184 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1 787757611 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BYVBNEWTDPXUQU-APIJFGDWSA-N 375.491 -0.668 30 20 GBED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 1313105303 SOSPTLVUEZVOJP-STQMWFEESA-N 388.428 -0.149 30 20 GBED CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC#Cc2ccccc2)CC1 1322988819 TVYVCHLZTKWJNW-SFHVURJKSA-N 382.464 -0.081 30 20 GBED N#Cc1csc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 1323646776 SRESAFRZDDEYOJ-CYBMUJFWSA-N 396.494 -0.319 30 20 GBED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC(C)(C#N)CC2)CC1 1325289260 HPTORWOHEQSCAT-OAHLLOKOSA-N 375.473 -0.096 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3C[C@@H]4CCCCN4C3=O)CC2)c1 1331767533 QMBYBIWYAAPJLF-HOTGVXAUSA-N 396.451 -0.129 30 20 GBED COCCN(C(=O)C(=O)NCc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 1340455383 XIENPIFVZPVIGX-HNNXBMFYSA-N 379.438 -0.163 30 20 GBED COC(=O)[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1350960331 IRJJXBPPXRBUSF-BZUAXINKSA-N 398.419 -0.157 30 20 GBED Cn1c(=O)[nH]c(N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)c(C#N)c1=O 1472692720 YSNMIHFPCMOVJX-MRXNPFEDSA-N 394.435 -0.127 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[nH]n3)nn2)C1 1573310381 XEXAFCDBVHYRGF-IAGOWNOFSA-N 388.432 -0.569 30 20 GBED C#CCN1CCC(C(=O)NC2CCN(CC(=O)NCc3cnn[nH]3)CC2)CC1 1574967460 SKDSZAJPTJROON-UHFFFAOYSA-N 387.488 -0.653 30 20 GBED CN(C)CCCN(CCC#N)C(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O 1578990982 OQQXCIZBMPCKGN-UHFFFAOYSA-N 389.420 -0.787 30 20 GBED C#CCOCCC(=O)NC[C@H](CO)Nc1nc(Cl)c(-c2nn[nH]n2)s1 1588361392 LPHSGRYBWBDQEA-MRVPVSSYSA-N 385.837 -0.095 30 20 GBED C#Cc1ccccc1CC(=O)NC[C@H](O)CN=c1cc[nH]cc1-c1nn[nH]n1 1588377461 XIKWCRNRKLILNB-OAHLLOKOSA-N 377.408 -0.203 30 20 GBED C#Cc1cncc(C(=O)NC[C@@H]2COCCN2c2nccnc2-c2nn[nH]n2)c1 1588380402 DOSAUHCDHMBLDK-CQSZACIVSA-N 391.395 -0.332 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CCc2cccc(-c3nn[nH]n3)c2)C1=O 1588654681 NFLRUCUPIWXLNF-UHFFFAOYSA-N 397.395 -0.156 30 20 GBED CCOC(=O)c1c(NC(=O)NCC#CCO)c(-c2nn[nH]n2)cn1CCOC 1590772939 GPFSSSBTPHQGCJ-UHFFFAOYSA-N 391.388 -0.392 30 20 GBED N#Cc1cccnc1NCCNC(=O)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 1601128074 GYOGNKHODLBMTP-SFHVURJKSA-N 388.428 -0.064 30 20 GBED Cn1cnnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1729592444 SMNKJAFIRMYDFA-ABAIWWIYSA-N 394.436 -0.201 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)CCC1 1782665703 AVDQSCOAXWPRCH-IBGZPJMESA-N 385.424 -0.233 30 20 GBED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NS(=O)(=O)CC)CCO2 1783903678 XYMBOGNGMXAYCR-QAPCUYQASA-N 399.513 -0.052 30 20 GBED CNC(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)ON=C(C)C)C[C@@H]21 1784411703 OSQBOESCDAHCTO-AJNGGQMLSA-N 382.461 -0.097 30 20 GBED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1 1788646612 ZBKOYTQCCJTSKE-QBYUYEEZSA-N 394.472 -0.834 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2 1793818651 JLOQIHHVEJWRFR-YWVIFJGQSA-N 384.502 -0.234 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COC(=O)C(F)(F)F)C3)CC1 1795411062 NJXREQPAYALJRC-PEGIJTEDSA-N 389.330 -0.015 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 1796029692 HYAADWCZGFNAKW-DABQJJPHSA-N 377.401 -0.483 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(F)(F)C(=O)O 1796348580 KDDOUYLNLPHAJU-NRWUCQMLSA-N 388.367 -0.276 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OCC 1797585107 ZBDKCXMLYDNRNW-SSZWKKLZSA-N 399.444 -0.768 30 20 GBED Cn1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c1Cl 1798347156 KWHFMPGARHHFIF-WDAIWFPHSA-N 380.788 -0.635 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)C(=O)C(=O)O)C2 1798397862 OAMPEPZWQAGOCI-XJFOESAGSA-N 395.456 -0.259 30 20 GBED Cn1nc2c(c1C(=O)N[C@@H]1[C@H]3COC[C@@H]1CN(C(=O)C#CC(=O)O)C3)CCC2 1800049968 XGIRZCBRZKKVKY-DPIQGUFMSA-N 386.408 -0.800 30 20 GBED N#CCC(=O)N1CC[C@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813173096 SBMQWUXFIGJAQC-KUHUBIRLSA-N 381.392 -0.074 30 20 GBED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1831174592 LFHXGXOQGZWMOS-KUHUBIRLSA-N 394.472 -0.093 30 20 GBED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1834675884 JLXGHLDOZRQWPW-DOMZBBRYSA-N 399.561 -0.531 30 20 GBED C#CCCC(=O)N1CCC(N2CCC(NC(=O)CC[C@H](N)C(N)=O)CC2)CC1 1834739162 SOLKSBCXSUXPGZ-KRWDZBQOSA-N 391.516 -0.436 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOC)CCO2)C1 1835235225 KJWZLXPRAZGUCG-LJQANCHMSA-N 398.456 -0.011 30 20 GBED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1837305825 KHHLNZUWMGQJIM-BEFAXECRSA-N 393.488 -0.306 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1839094855 XZBWAAPHMZVCAN-SZLMTNCGSA-N 395.431 -0.341 30 20 GBED CC(C)N1C(=O)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1=O 268921165 QGCIFWYXODVDPO-FZMZJTMJSA-N 392.437 -0.123 30 20 GBED C=CCNC(=O)CNC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 272039082 FXMRJZLSJABDKN-UHFFFAOYSA-N 382.442 -0.268 30 20 GBED Cn1cc(C#N)c(=O)n(CC(Cn2c(=O)c(C#N)cn(C)c2=O)C(C)(C)C)c1=O 273356540 DMWZQWNMYKAHIS-UHFFFAOYSA-N 398.423 -0.487 30 20 GBED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(CC)c(S(N)(=O)=O)c1 293333103 JNLFBPVCNIPOQN-UHFFFAOYSA-N 380.470 -0.094 30 20 GBED CC(C)(O)CN1CCN(/C(O)=N/CCS(=O)(=O)N2CCSCC2)CC1 329901737 HEFDDVHKBFYWGJ-UHFFFAOYSA-N 394.563 -0.333 30 20 GBED C=CCOC[C@@H]1NC(=O)N(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 348388583 MYRMVRXMDVUMSV-ZDUSSCGKSA-N 398.397 -0.004 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N[C@@]2(C#N)CC2(C)C)C[C@H]1O 349518350 GXOAOHPPRYQLQW-YRGRVCCFSA-N 379.504 -0.369 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC(=O)N(C2CC2)C1 448431738 JIOZXYWGRBUOLM-UHFFFAOYSA-N 379.380 0.177 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C1CCN(C)CC1 522058630 GYOYXYYQNZWNPE-UHFFFAOYSA-N 397.460 -0.110 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCS(=O)(=O)C[C@H]3C)CC2)o1 526965404 JWVZANDHTZVAKV-GFCCVEGCSA-N 381.458 -0.378 30 20 GBED C=CCn1cc(CNC(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)nn1 568743375 LWCRFSGSCUFZHI-AWEZNQCLSA-N 385.494 -0.076 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CN(C4CC4)C[C@@H]3C)CC2)c1C#N 578244474 QKHJMQCBWLJLMB-SUMWQHHRSA-N 399.499 -0.152 30 20 GBED Cc1cc(N2CC[C@H](CO)[C@H](O)C2)c(C#N)c(N2CC[C@@H](CO)[C@H](O)C2)n1 596205678 FQIXRCKFWDBJIQ-LTCOOKNTSA-N 376.457 -0.379 30 20 GBED Cc1cc(S(=O)(=O)NCCN2CCN(S(C)(=O)=O)CC2)ccc1C#N 618176557 SACLLSWUFBRSRE-UHFFFAOYSA-N 386.499 -0.278 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(S(C)(=O)=O)n[nH]2)c1 747340509 AGZFBHUADPAJFD-UHFFFAOYSA-N 383.411 -0.628 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2cn3cc(Cl)ccc3n2)c(=O)n(C)c1=O 771897837 SKPCPCOPWNBQRA-UHFFFAOYSA-N 396.816 -0.303 30 20 GBED CS(=O)(=O)N1CCN(CC(=O)[C@@H](C#N)c2nnc3n2CCCCC3)CC1 778612702 ZXOAJMSCTIAXAU-CYBMUJFWSA-N 380.474 -0.242 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2ccc(-c3cc[nH]n3)o2)c(=O)n(C)c1=O 788437058 LUBIJOKYKFPXIH-UHFFFAOYSA-N 378.370 -0.621 30 20 GBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 818150002 MUFZAUIPZZEAEV-CABCVRRESA-N 387.488 -0.190 30 20 GBED C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1CC(=O)N[C@](C)(C#N)C1CC1 820788923 RKFJLEFDDAFAML-KPZWWZAWSA-N 396.459 -0.024 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[nH]n3)cc2)n1 823856119 JPHQXTGZRLZTGT-UHFFFAOYSA-N 395.383 -0.789 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](CC(=O)O)C1 827759921 CSDPZYZYYPRUQG-WCQYABFASA-N 381.410 -0.073 30 20 GBED Cn1cnc2c1c(=O)n(CC(=O)O[C@H](C(=O)O)c1cccc(C#N)c1)c(=O)n2C 833058533 YDECBPMJFYXXRY-AWEZNQCLSA-N 397.347 -0.326 30 20 GBED Cn1nc(Br)c2c(=O)n(CC(=O)N[C@@H]3CNC[C@H]3C#N)cnc21 834493212 BUFDMDGHLCEIQI-HTQZYQBOSA-N 380.206 -0.880 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C)cc1 848942354 IYTSBWDKBGVELR-KBPBESRZSA-N 397.478 -0.022 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnnn2CC)C1 1023607367 CXMBVSIJHKBRCU-XNISGKROSA-N 377.445 -0.029 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cnccc2OC)C[C@H]1O 1025712689 YUPPLZBTSSLVIM-FPCVCCKLSA-N 375.425 -0.088 30 20 GBED Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2N=c2cc[nH]cc2C#N)c1 1052703116 SWVLLUDVYAQUHF-XJIUQZFPSA-N 379.424 -0.363 30 20 GBED C=CCOCC(=O)N1CCN(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1073554450 WXRFAXJAYOULOT-BCDMZGRMSA-N 375.469 -0.033 30 20 GBED CNS(=O)(=O)CCNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1 1117311764 YXNMUIHGXZQLNM-UHFFFAOYSA-N 379.442 -0.869 30 20 GBED C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1118682941 PSKASVLHDZLWQQ-JJLJGCLUSA-N 378.429 -0.362 30 20 GBED CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NCc2ccc(OCC#N)cc2)CC1 1258089551 BSYRXEIHWXOLOU-UHFFFAOYSA-N 387.440 -0.387 30 20 GBED C[C@H](C(=O)Nc1ccccc1C#N)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 1324657198 MVPJHCFRCNSDDM-KBRIMQKVSA-N 392.481 -0.339 30 20 GBED CCn1cc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)nn1 1327342688 YONYFRGXFZHUFC-UHFFFAOYSA-N 385.432 -0.823 30 20 GBED COCCN(CCNC(=O)C(=O)N1CC[C@](O)(CC#N)C1)C(=O)OC(C)(C)C 1329364621 KVJHZNOHEYZTFH-GOSISDBHSA-N 398.460 -0.137 30 20 GBED COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(C3CC3)[C@H](C#N)C1)CC2 1329961889 PMUIBVBXANNJKN-TZMCWYRMSA-N 387.444 -0.946 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)c1 1331947229 WILPDOSKNZBCQR-QGZVFWFLSA-N 393.451 -0.199 30 20 GBED CC(C)(CNC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1)CS(N)(=O)=O 1573900819 IYAATBBAQOAADG-ZDUSSCGKSA-N 391.457 -0.020 30 20 GBED N#CCNC(=O)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1592677940 MDWFREQIWFSGKS-KGLIPLIRSA-N 383.416 -0.487 30 20 GBED C#CCNC(=O)CC(=O)N1CC[C@](C)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1602722457 SDJPTDAZPQPQRO-KRWDZBQOSA-N 384.400 -0.945 30 20 GBED N#CCCOCCOC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1609495332 DLFUGBWWOYRONF-UHFFFAOYSA-N 380.386 -0.382 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nccn4c3)C2)C1 1778015758 BNTSVJUTSVNVOK-LJQANCHMSA-N 382.376 -0.134 30 20 GBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](COC(C)=O)OC(C)=O)C1 1779408449 VOISGYCBHDOJBU-GPMSIDNRSA-N 394.424 -0.372 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)CC3(O)CCC3)C2)C1 1784820849 XNDQVUJAUZOKGG-BBIZLLLXSA-N 391.468 -0.020 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccnn4)[C@H]3C2)c1 1787121310 BQYDLMMWLSPTNW-DZKIICNBSA-N 383.412 -0.229 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCC4)[C@H]2C1 1788415610 KMARRSSZCBWXOM-NOLJZWGESA-N 386.408 -0.489 30 20 GBED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1793261211 CMEJRYDKSZGNSV-JYYAWHABSA-N 380.466 -0.433 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cncn1)C2 1793346467 BARGHXUKIJHROG-NPJQDHAYSA-N 375.429 -0.533 30 20 GBED NC(=O)c1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1794265693 BKMGWLODRAVTLJ-XOIINTDNSA-N 382.420 -0.203 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)C=C 1797940201 SRRDFCGFBSHYAO-SVZOTFJBSA-N 379.457 -0.142 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccnnc2O)C3)c1 1798693745 LVULPDHSPDUYSD-JJLQDPRZSA-N 382.380 -0.101 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)C1 1806002891 IHMKQTHQDYPJOT-JKSUJKDBSA-N 392.500 -0.151 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)[C@@H](N)CN)C2)CC1 1810850457 LEWSXOKZGXGASW-XVWMLYKFSA-N 377.489 -0.638 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)COCCO)[C@@H]1c1cccnc1 1812880638 RNBMUBLDHCKKPI-RDTXWAMCSA-N 375.381 -0.816 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(OC)OC)CCO2)C1 1831028325 GTOQIEAPSYGCCA-KSSFIOAISA-N 384.429 -0.900 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833124476 VWOZCNKPGKRORQ-DYVFJYSZSA-N 380.470 -0.206 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835068128 OPDRUCHOICMSFT-PBHICJAKSA-N 396.536 -0.355 30 20 GBED Cc1ccn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)n1 1840158210 IVIYQYHNMZMDDS-WMLDXEAASA-N 382.486 -0.034 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1840159867 PQOREWUJUDYLSS-JCKWVBRZSA-N 394.497 -0.144 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)CN(C)C)CC2)CC1 91538611 FTBYKXZTIYZPLF-KRWDZBQOSA-N 378.521 -0.615 30 20 GBED Cn1cc(/C=C2/CCC/C(=C\c3cn(C)c(=O)n(C)c3=O)C2=O)c(=O)n(C)c1=O 193101374 DOWSQSVCTQFNAN-QRBCZBMESA-N 398.419 -0.299 30 20 GBED CCN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 288703959 UTTMJOFWLDPHDN-QGZVFWFLSA-N 383.452 -0.061 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(CCN3C(=O)CNC3=O)CC2)cc1 298323793 UOIRFDXAYXOELC-UHFFFAOYSA-N 377.426 -0.584 30 20 GBED CN(C)C(=O)C/N=C(/O)N1CC[C@H](N(C)Cc2cc(O)nc(N(C)C)n2)C1 330456364 XLEGLMFSRGENIG-ZDUSSCGKSA-N 379.465 -0.244 30 20 GBED Cn1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)ccc1=O 349474245 JKNQBEMPXWTLHQ-UHFFFAOYSA-N 388.471 -0.308 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC3(CCOCC3)[C@@H]2C)CC1 410839589 CWBXIGCNSXOBDX-INIZCTEOSA-N 392.500 -0.150 30 20 GBED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cn1 440182037 CVMGMVHALHABPT-ZIAGYGMSSA-N 379.380 -0.186 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)N2CCNCC2)c1 495576677 HUGMVGLJPSFQHN-UHFFFAOYSA-N 380.470 -0.345 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1 545370637 WENSURBUCVCWFZ-ZDUSSCGKSA-N 378.410 -0.473 30 20 GBED CC(=O)c1cccc(S(=O)(=O)NCC(=O)NCCn2cnc(C#N)n2)c1 555099382 FWZZKALMVVRSRX-UHFFFAOYSA-N 376.398 -0.553 30 20 GBED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](CO)O[C@H](C)C2)cc1 571646459 CUUFJEMSWDNTFJ-DYEKYZERSA-N 395.437 -0.081 30 20 GBED N#Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)nc1 578607764 WMOMLVWCLQYCIH-ZDUSSCGKSA-N 395.441 -0.504 30 20 GBED CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N[C@H](CO)CC#CC)c[nH]1 645882155 GGNNTQKYILFXKR-KBPBESRZSA-N 381.454 -0.429 30 20 GBED CC#CC[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 649187523 RLVLSIDFXSQUGG-LBPRGKRZSA-N 387.483 -0.447 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NCCOc2ccccc2)CC1 761036717 HTXIMDOISXODQR-UHFFFAOYSA-N 380.470 -0.733 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCOC 763436061 GNYCFSFKYKCBDR-UHFFFAOYSA-N 390.465 -0.840 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 785663758 YLHAXQBUYZOYAI-KGLIPLIRSA-N 396.444 -0.889 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)OCCCN2C(=O)CNC2=O)c1 795328278 PXXVLZBTJTXUPX-UHFFFAOYSA-N 380.382 -0.678 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)CCO1 810090653 URLIHANSSQFJAH-GHMZBOCLSA-N 384.380 -0.154 30 20 GBED CN1CCN(S(=O)(=O)c2ccc(NN=C3CCN(C(N)=O)CC3)nc2)CC1 812433289 JKTCHTCGAHAAJS-UHFFFAOYSA-N 395.489 -0.040 30 20 GBED C#CC[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O)C(=O)OC 837944538 ALBMBSHGBINEBI-SNPRPXQTSA-N 382.438 -0.296 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 913375714 YXCKUADTFAATSE-GOSISDBHSA-N 387.396 -0.157 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)COC2CCOCC2)C[C@H]1O 1023943009 YWMLWTZYRKCOQY-LHHMISFZSA-N 382.457 -0.149 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1O 1023958864 YQUDXCYOXWRQHC-MIGQKNRLSA-N 375.425 -0.332 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H]2CCS(=O)(=O)N2)n1 1055344617 WTPDILWBAWORNL-SYQHCUMBSA-N 376.442 -0.426 30 20 GBED CS(=O)(=O)CC1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CC1 1110558305 CVJYBGFBNYJIHX-MCIONIFRSA-N 382.486 -0.437 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)CCO1 1116918608 GNMMLCJTTYLLKE-ZDUSSCGKSA-N 392.503 -0.654 30 20 GBED C=CCn1c(-c2c[nH]c3ccnn3c2=O)nnc1N1CCN2CCOC[C@@H]2C1 1121572273 CENJEGOVOOJKNG-ZDUSSCGKSA-N 382.428 -0.012 30 20 GBED C#CCCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3C[C@H]3C(=O)N(C)C)n2)O1 1130805155 VJHQYUWBFUCUAS-BYNSBNAKSA-N 388.472 -0.022 30 20 GBED C#CCOCCNC(=O)C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 1257015442 VTKPSQFWMLEIIU-UHFFFAOYSA-N 386.452 -0.544 30 20 GBED C=CCn1c(Cn2cc(CCO)nn2)nnc1N1CCN(CCOC)CC1 1262996950 RHMDINXAMKTLGN-UHFFFAOYSA-N 376.465 -0.593 30 20 GBED C=C(C)Cn1c([C@H](C)CO)nnc1N1CCN(CC(=O)NCCOC)CC1 1263301108 IDYXOQYGYCKJOC-OAHLLOKOSA-N 380.493 -0.165 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)O)c1 1320742586 TWENQLANPFOXOB-HNNXBMFYSA-N 397.453 -0.334 30 20 GBED N#CCc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 1322266466 FGRJCSNOCPIWAN-UHFFFAOYSA-N 376.438 -0.136 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NC[C@H]1COc2ccccc2C1 1322678452 KIEPCHMXFBVITQ-FKEVTRRJSA-N 398.419 -0.004 30 20 GBED N#Cc1ccccc1N1CCCN(C(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1 1323885876 RWYDRCSSQQRKLA-RDJZCZTQSA-N 399.451 -0.254 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CCNC(=O)[C@@H]1c1c(C)nc2ccccn12 1324239090 PICROYFEXKLNBO-CJNGLKHVSA-N 385.424 -0.041 30 20 GBED C[C@@H]1CCc2nc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)sc2C1 1324258316 JXKXHYXLZMZREZ-SECBINFHSA-N 397.482 -0.022 30 20 GBED C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1325419498 MVNDLNCWWWPUHX-OAHLLOKOSA-N 392.456 -0.917 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1ncnn1-c1ccccc1 1325695873 HCRDEFKQUSNJKF-UHFFFAOYSA-N 377.426 -0.400 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](CO)[C@H](CO)C1 1329494721 NNLKCSQADKJKNB-KBPBESRZSA-N 377.397 -0.419 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC2(CC1)[C@@H](O)C[C@H]2OCC 1329802984 VCXQIWBUWAYEID-UONOGXRCSA-N 388.486 -0.518 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CNC(=O)c2cccc(F)c2)CC1 1336040961 KMQFSFGZGWJMDO-UHFFFAOYSA-N 382.417 -0.833 30 20 GBED N#Cc1cc(F)ccc1N1CCN(C(=O)C(=O)N2CCOC[C@H]2CCO)CC1 1356408329 ITJIQSODTGSPGB-MRXNPFEDSA-N 390.415 -0.044 30 20 GBED CN(C[C@@H](O)CN(C)c1nccnc1C#N)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1579030838 DXLVTPYWBWAXIF-JTQLQIEISA-N 382.388 -0.574 30 20 GBED C=CCOCC(=O)NC[C@]1(O)CCN(c2cc(-c3nn[nH]n3)nc(CC)n2)C1 1588674144 JOJCOOOKMQJOEI-QGZVFWFLSA-N 388.432 -0.521 30 20 GBED C=CCn1cc(C(=O)N2CCC(N=c3cc[nH]c(-c4nn[nH]n4)n3)CC2)nn1 1588711926 YHIXKVKGJZLGAA-UHFFFAOYSA-N 381.404 -0.427 30 20 GBED Cc1c(-c2nn[nH]n2)c(=O)n(CCCOc2cccc(C#N)c2)c(=O)n1CCO 1591793914 OPXGPODGTBUWOI-UHFFFAOYSA-N 397.395 -0.168 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)O)C2)cc1 1602702889 VOKUAXZVNXVFDN-GUYCJALGSA-N 378.406 -0.229 30 20 GBED C#CCN(C(=O)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1)C(C)C 1602714583 VWDROWCCWHGCFU-UHFFFAOYSA-N 382.428 -0.220 30 20 GBED N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 1648500661 MDBZXOFWDMEVEP-MHORFTMASA-N 389.477 -0.036 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778844344 FRPKDVVOCRYEJM-KRWDZBQOSA-N 375.433 -0.301 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)c3ccccc3)C[C@@H]21 1791075909 BWGCRBAGEDAYPQ-IUVQAAGXSA-N 386.404 -0.212 30 20 GBED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]2C1 1791768347 KGORASPCBKQJBE-IHRRRGAJSA-N 385.486 -0.049 30 20 GBED CCN1CCC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)CC1 1792297266 RTTRFYKCPRGOOI-ULQDDVLXSA-N 391.468 -0.214 30 20 GBED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1nc[nH]n1)C2 1793263100 HGGYVAXGGBLVIY-YWVIFJGQSA-N 375.454 -0.100 30 20 GBED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O 1795637684 NPSQIBUUUFUNHO-OPDFLTKYSA-N 388.415 -0.620 30 20 GBED NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797817158 ZPOZNRUEUDLCHH-AACUENJTSA-N 396.444 -0.630 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1nc[nH]n1 1801297441 SBUFIMJSPBDYTQ-XPCVCDNBSA-N 393.469 -0.475 30 20 GBED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CNC(=N)N)sc2C1 1814813888 MTZROVFGHTYTSM-ZJUUUORDSA-N 378.458 -0.424 30 20 GBED N#CC1(C(=O)N[C@@H]2CCc3nc(NC(=O)CC[C@@H](N)C(N)=O)sc3C2)CC1 1815056021 IOZPRXSRLOCUOR-NXEZZACHSA-N 390.469 -0.048 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819662464 JJQOYQYUZVFILC-UWVGGRQHSA-N 389.437 -0.031 30 20 GBED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2C[C@H](O)CN2)n[nH]1 1820753583 IZGGWROEEZISLJ-DRZSPHRISA-N 375.385 -0.787 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1829960173 PQAPKNRWBPSMGI-UZLBHIALSA-N 391.468 -0.228 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1831402495 IVCYUPJCHCTYDD-HLIPFELVSA-N 394.468 -0.092 30 20 GBED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)Cn3cnnn3)CC2)CC1 1833426413 RAVNDNGFYJQWED-UHFFFAOYSA-N 385.472 -0.342 30 20 GBED Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)nc1 1840041432 MBDDFDMEFJDWCE-LJQANCHMSA-N 387.392 -0.452 30 20 GBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)N2CCN(C)CC2)C1 1845096827 SLLOENLXVJWEQM-DLBZAZTESA-N 376.501 -0.136 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)C(F)(F)F)C1 1846398397 DQKNPBQTWBBJCT-NSHDSACASA-N 375.347 -0.093 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@@H]2NC(=O)NC2=O)c1 1848129018 LWRPMSOSZOKSKS-KKUMJFAQSA-N 381.392 -0.028 30 20 GBED C/N=C(/NCCS(=O)(=O)N1CCSCC1)N1CCC(C(=O)OC)CC1 262818645 XLMICJKHHDWCDL-UHFFFAOYSA-N 392.547 -0.175 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@@H]2C(=O)NCC2CC2)C1=O 264193600 SBYASMWRAHNLOT-LLVKDONJSA-N 380.426 -0.609 30 20 GBED COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(F)cc1C#N 274917439 LZXZHPTUUIVQID-LLVKDONJSA-N 376.387 -0.342 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 281828058 VDBFMAKQPRZUTR-CYBMUJFWSA-N 384.462 -0.388 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(CC#C)CC#N)cc1 290173987 QAROITOHUIOWFM-UHFFFAOYSA-N 390.446 -0.018 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(CC(F)(F)F)CC2)C1=O 297787369 JGZRNNUWJMVCPA-LBPRGKRZSA-N 376.379 -0.062 30 20 GBED C[C@H](O)CN1CCN(/C(O)=N/CCS(=O)(=O)N2CCSCC2)[C@H](C)C1 329458521 RDOGVNVCVYJTFW-KGLIPLIRSA-N 394.563 -0.334 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCc2c1cnn2C 349562555 FLOPVVSICKPVSV-ZDUSSCGKSA-N 389.503 -0.108 30 20 GBED CC1(C)CN(S(=O)(=O)CCCCS(=O)(=O)NC2(C#N)CC2)C[C@H]1O 349601381 DXUSVUDIAQMKII-GFCCVEGCSA-N 379.504 -0.225 30 20 GBED COc1ccc(OC)c(CN(CCO)S(=O)(=O)N2CCO[C@@H](C#N)C2)c1 410124656 KZFWAVMPUQDBIU-HNNXBMFYSA-N 385.442 -0.033 30 20 GBED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN(CC(N)=O)C(=O)C2)c1 411644011 PZNNLKAHKRRCOB-UHFFFAOYSA-N 395.322 -0.746 30 20 GBED COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)cc1C#N 419833835 WLZZCJOTXMTZHN-ZDUSSCGKSA-N 376.344 -0.084 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1 421247170 FZUWOEAZDZFXFR-AWEZNQCLSA-N 398.423 0.384 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccnc1C#N 428416048 CDIYMFMIICUNEL-LBPRGKRZSA-N 382.398 -0.978 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C 437507199 KVEIXIPHTMWOSG-CZUORRHYSA-N 375.491 -0.082 30 20 GBED CC1(O)CN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC#N)CC#N)cc2)C1 516194780 VXGCLMWKMIJYRY-UHFFFAOYSA-N 384.439 -0.520 30 20 GBED CN1CCC(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 559389911 NTTKHSGSMNJSOQ-KRWDZBQOSA-N 383.452 -0.014 30 20 GBED CC(=O)NCCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)C(=O)O 568762134 YACLOIOHMQJFJZ-LLVKDONJSA-N 396.425 -0.726 30 20 GBED CS(=O)(=O)N1CCc2c(NC(=O)C(=O)N3CC[C@](O)(CC#N)C3)cccc21 592300200 YVPNAGXCMWWAHF-QGZVFWFLSA-N 392.437 -0.176 30 20 GBED CCN(CCCNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)S(C)(=O)=O 598972169 NAYDHNXUDZDBED-UHFFFAOYSA-N 398.445 -0.942 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1C[C@@H](O)COc1ccccc1C#N 599366617 QSGZVQNSPQGXSB-CVEARBPZSA-N 391.424 -0.322 30 20 GBED C=CCN(CC=C)C(=O)[C@H](C)n1cc(CNC(=O)CN2CCCNCC2)nn1 640918765 DQQSODAXYQIRQT-INIZCTEOSA-N 389.504 -0.049 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)N2CCN(Cc3ccco3)CC2)CC1 728570733 LQYQOSVQALKTAN-UHFFFAOYSA-N 387.484 -0.709 30 20 GBED C#CCN1CCC(C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 742236135 GDOXIFZARCEBHS-UHFFFAOYSA-N 380.470 -0.006 30 20 GBED Cc1nc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cn1C 750621279 SWRCRSMLRWHQAV-BZNIZROVSA-N 399.473 -0.007 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)NCc2ccc(F)cc2)CC1 761023217 FMVJMXVZFFDVOG-CQSZACIVSA-N 382.461 -0.084 30 20 GBED CN1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761036696 KTPQTVKOZRLZGI-UHFFFAOYSA-N 391.403 -0.053 30 20 GBED Cn1cc(S(=O)(=O)NN=C2CCCc3c(O)cccc32)c(=O)n(C)c1=O 771897842 SNWYZFPRCCIXBV-UHFFFAOYSA-N 378.410 -0.192 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc(OC)n2)c1=O 790430119 SXYIJRYPWAWENW-UHFFFAOYSA-N 382.445 -0.026 30 20 GBED COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 807777488 NITYRGHMLRYMTO-CABCVRRESA-N 391.428 -0.582 30 20 GBED C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C)c1-c1nn[nH]n1 823844708 HCOSBBDDFBXZNW-GFCCVEGCSA-N 395.466 -0.014 30 20 GBED C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN(CC#N)CC(=O)O)C1=O 828087549 BEQRMWSLJUTCOU-GOSISDBHSA-N 387.396 -0.129 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cncc(N3CCOCC3)c2)CC1 831564865 JEWCKJKZJBTPEW-UHFFFAOYSA-N 393.469 -0.856 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)nn(CC(F)F)c2C)CC1 831568708 PSEBJKPWHUBXPA-UHFFFAOYSA-N 389.428 -0.010 30 20 GBED C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2ccccc2C#N)CC1 839527534 LNNCWUMDJFHONB-UHFFFAOYSA-N 375.454 -0.028 30 20 GBED COc1ccc(CNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)cc1C#N 842179140 AXAMNPFIIUCRJB-MRXNPFEDSA-N 399.451 -0.394 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2F)c(=O)n1CCOC 845361683 BBOAJOTXSVMCIK-UHFFFAOYSA-N 391.424 -0.047 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2COc3ccccc32)CC1 894902259 XTGNOUSFXOVJAS-CQSZACIVSA-N 378.454 -0.043 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nnn(C(C)(C)C)n2)C[C@H]1OC 946820428 WEDNNBJQWSSWBA-YIYPIFLZSA-N 392.460 -0.025 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cn(C)nc2C)C[C@@H]1O 964615012 BGWMVKBPRGXMPZ-NCOADZHNSA-N 376.457 -0.060 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 994075358 FEOGYSIYGZAYPC-JEWRLFTDSA-N 392.500 -0.390 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CS(C)(=O)=O)CC1 1003362606 BWTQBDWXCFAPEY-OAGGEKHMSA-N 381.498 -0.376 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cncc(C(N)=O)c2)C1 1023830103 SUUGSJZRWGCVGH-JJXSEGSLSA-N 388.424 -0.537 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)C[C@H]1O 1023942508 ZWQBLXKUTBUHEO-XZDPQHSOSA-N 388.424 -0.537 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)Nc2cnccn2)C[C@H]1O 1077821912 NHGCGDCOCQUROS-CFAJVAMVSA-N 375.429 -0.442 30 20 GBED O=C1CN(c2ccnc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)c2)CCN1 1320750601 NYDHKGKXEJDUOD-FBMGVBCBSA-N 384.396 -0.726 30 20 GBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1 1321663807 ZXAYZFTYCJVBFR-CYBMUJFWSA-N 396.421 -0.294 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCn2c(=O)oc3ccccc32)CC1 1322555945 SJTZNOSJPKAWJQ-UHFFFAOYSA-N 398.419 -0.301 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)C1 1340760531 UOASNPCZPPESIH-MRXNPFEDSA-N 382.417 -0.314 30 20 GBED C#CCNCC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1343058448 JMDQECRENMQKLR-UHFFFAOYSA-N 380.426 -0.130 30 20 GBED C#CCO[C@H](C)C(=O)N[C@H]1CCN(CC(=O)NCc2cnn[nH]2)CC1(C)C 1575012610 DOASCOGEOHPUSK-HIFRSBDPSA-N 376.461 -0.324 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 1588351584 ZVAURFNQDNHICX-KGLIPLIRSA-N 381.444 -0.161 30 20 GBED C#CCN1CCC(C(=O)NC[C@@H](C)NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1588351724 HBWLFZBZWIGVJV-GFCCVEGCSA-N 384.444 -0.226 30 20 GBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353133 HRZJSRLGGCKICW-CHWSQXEVSA-N 384.444 -0.226 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1588358207 VHPJNRDLPFJSOK-DGCLKSJQSA-N 387.400 -0.810 30 20 GBED C#CCOCCC(=O)N(C)C[C@H](O)CN(C)c1cc(C)ncc1-c1nn[nH]n1 1588360110 IMEDWRNMDBSPQL-CQSZACIVSA-N 387.444 -0.134 30 20 GBED C=CCOCCCC(=O)NC[C@@H]1CN(c2cncc(-c3nn[nH]n3)n2)CCO1 1588682215 KEWCQEIFNCXQAU-CYBMUJFWSA-N 388.432 -0.039 30 20 GBED C=CCOCCNC(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 1588682545 HOOHFYRDKVQPGK-UHFFFAOYSA-N 386.416 -0.771 30 20 GBED C[C@@]1(CNC(=O)CSCC#N)CN(c2cnc(-c3nn[nH]n3)cn2)CCO1 1603802441 LUXPHQXYQDGFAW-OAHLLOKOSA-N 389.445 -0.375 30 20 GBED CCCNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1745783175 PGRKPRRIBVFSDG-CHWSQXEVSA-N 375.433 -0.126 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c1 1780330753 HBTQGMQJSHPESJ-GOSISDBHSA-N 387.396 -0.218 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)O)C1 1781985919 OCNVDSZBAGMMGD-NHQFCNANSA-N 379.457 -0.261 30 20 GBED Cn1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(C(F)F)n1 1783561952 SAASPFSWXATPFV-KRWDZBQOSA-N 396.350 -0.111 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783983413 MFSWYJDEQYESRQ-OAHLLOKOSA-N 375.347 -0.092 30 20 GBED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785363029 DXJGBQFQNAWCLK-KRWDZBQOSA-N 383.470 -0.055 30 20 GBED CCc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)co1 1791077278 UAGAOUHKFPHKRZ-OBJOEFQTSA-N 375.381 -0.082 30 20 GBED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)S)[C@H]2C1 1791262231 XRXUQJLVQWTKHU-PSWFKFNGSA-N 387.502 -0.565 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCCn3ccnc3)[C@H]2C1 1791566419 DNJNXCVRVHUFFK-JYJNAYRXSA-N 388.424 -0.269 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C2 1797710820 XJZJYRWDHDNEQI-GZFHQYITSA-N 381.473 -0.326 30 20 GBED CC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797816415 JYXQJRNDQJJAQS-SLPLAMDNSA-N 396.444 -0.759 30 20 GBED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1799681752 KRESJTLNFROFFH-LMWOUKEDSA-N 396.444 -0.277 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCS1(=O)=O 1800389965 OQAQWTFELVQWRB-RBGFHDKUSA-N 398.481 -0.809 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@](C)(O)CC(=O)O 1801002663 GLYXWOKLGIKUCM-HAZWZUGHSA-N 398.456 -0.217 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)Cn2nccn2)[C@@H]1c1cccnc1 1808961485 QYUMEEOKGWOREV-KDOFPFPSSA-N 382.380 -0.533 30 20 GBED C#CC(=O)N1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1811188406 GVQUCPYJNKJXFA-SUMWQHHRSA-N 378.392 -0.077 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1830060575 POTUTLDMLDKCPG-KRWDZBQOSA-N 376.417 -0.716 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=CCCS1)CCO2 1831559967 BTUFJHDNQKGRAH-KRWDZBQOSA-N 380.422 -0.448 30 20 GBED COCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1834970021 CNPSTPHOYJHDEG-SFHVURJKSA-N 382.461 -0.629 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(F)(F)F)CCO2 1835328868 BPKSAKWZEHWUPZ-HNNXBMFYSA-N 392.330 -0.127 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835356871 AAGDPNFGJFEUAV-SUMWQHHRSA-N 381.433 -0.807 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSC(=N)N)CCO2 1835515081 CPTREHGCFOOOIK-QGZVFWFLSA-N 382.486 -0.127 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)NC(C)=O)CCO3)C1 1839875737 UTVGXSQARCARTQ-KUHUBIRLSA-N 379.457 -0.066 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839883141 QOFQAAHDSOQTCN-SFHVURJKSA-N 399.513 -0.112 30 20 GBED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CN)C2)C1 1840818865 CACZAHQVEAFOFI-IBGZPJMESA-N 388.424 -0.648 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1840843577 VIZAVXYMDVOSJL-HNAYVOBHSA-N 377.441 -0.523 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)CC)C2 1841053037 QDSHJTPAZHGUPU-DANTVBBOSA-N 376.457 -0.037 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)n1)C2 1841054289 IUZAJVRLDASPLW-PLNGDYQASA-N 387.396 -0.437 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)CC[C@H](N)C(N)=O)C1 1842946699 YGDFSIBIZZNLSY-ZDUSSCGKSA-N 380.445 -0.708 30 20 GBED O=C([C@@H](O)N1CCOCC1)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259356 HYQBZLTVXWCIMB-UOBPLZBXSA-N 393.488 -0.688 30 20 GBED COC(=O)CN(CC(=O)OC)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 263922029 PNVABPPDEBUPOI-UHFFFAOYSA-N 397.409 -0.333 30 20 GBED COC(=O)[C@@H]1COCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 268925023 RFJROPHYZWYULT-RISCZKNCSA-N 381.410 -0.375 30 20 GBED C=CCS(=O)(=O)CCNC(=O)NCCc1ccc(S(N)(=O)=O)cc1 272800764 CEYKCTBCCBQGFA-UHFFFAOYSA-N 375.472 -0.224 30 20 GBED N#CCCCOc1cccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1 275879720 FWSUHKSQZAMDMD-CQSZACIVSA-N 399.407 -0.523 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC(C)(CO)CO 276075794 DCOABJDCJRKXRX-UHFFFAOYSA-N 379.413 -0.029 30 20 GBED C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 297053214 XLKJRASZPWMVKW-UHFFFAOYSA-N 396.517 -0.300 30 20 GBED COC[C@H]1CN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C[C@H](C)O1 298186728 VWHDFSRUDJKIOD-GOEBONIOSA-N 387.440 -0.136 30 20 GBED CN1CCO[C@H](C/N=C(/O)N2CCN(S(=O)(=O)c3cccnc3)CC2)C1 329126525 YNRWEKGHERBATQ-CQSZACIVSA-N 383.474 -0.368 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(/C(O)=N/[C@H](C)[C@H](C)N2CCOCC2)CC1 330650043 WZHKCWBJJKYOTH-CABCVRRESA-N 383.493 -0.322 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](N2CC=CC2)C1 349481003 YOZWLRVBFKHASM-HUUCEWRRSA-N 390.531 -0.174 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 349521544 TZYZXUSWCYXWDP-NSHDSACASA-N 388.475 -0.155 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCS(=O)(=O)CC3)n2)c(F)c1 364686362 LFHRIDFGSMNERC-UHFFFAOYSA-N 391.384 0.079 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCC(F)(F)CN)C2=O)cc1 418942218 APAZMNWCGVTENY-CYBMUJFWSA-N 379.367 -0.514 30 20 GBED C=CCC[C@@H](NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)OCC 456627016 MIRBCPJYQDCWKV-GFCCVEGCSA-N 391.428 -0.162 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C 480245103 AYNLIRAPYIOQAY-UHFFFAOYSA-N 388.405 -0.379 30 20 GBED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2csc(C)n2)CC1 488974136 MVOWDAGIRWVGCW-UHFFFAOYSA-N 387.487 -0.230 30 20 GBED COC(=O)C1(O)CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 564514103 PVLMUOBVCPPVOL-UHFFFAOYSA-N 381.410 -0.637 30 20 GBED CNC(=O)[C@H](CCSC)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 564536904 MUBWKTADMCANBM-ZDUSSCGKSA-N 384.483 -0.180 30 20 GBED Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(CC(N)=O)c1=O 679753262 LGTDENWZHSBCNP-UHFFFAOYSA-N 385.449 -0.609 30 20 GBED CN(C)S(=O)(=O)c1cccc(NC(=O)Cn2ccc(C=NO)nc2=O)c1 736302205 HXZJQHMGTLKEJT-UHFFFAOYSA-N 379.398 -0.060 30 20 GBED N#Cc1ccc([C@@H](C(=O)O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 739105301 JWOHNKHBLGNDNI-INIZCTEOSA-N 386.408 -0.313 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H]2CNC[C@@H]2C#N)c1 834504380 APOYWMKTYQVIMV-JSGCOSHPSA-N 381.458 -0.893 30 20 GBED C[C@H](CC(=O)N1CC(N2CC[C@@H](O)C2)C1)/N=C1/NS(=O)(=O)c2ccccc21 843996917 LXXPODPXORZJAX-TZMCWYRMSA-N 392.481 -0.219 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 844200770 FTZDQAFRLVXJHV-OAHLLOKOSA-N 381.414 -0.446 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 850710380 BSLCEZZMSSPFBD-HNNXBMFYSA-N 378.473 -0.704 30 20 GBED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](O)[C@@H](O)C1 862581548 SNYSJCABAZPDEU-RDBSUJKOSA-N 381.454 -0.152 30 20 GBED CNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918245112 KSGOIEJPERPPKW-DEDYPNTBSA-N 395.441 -0.700 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H]1C 989042696 ILCAQSNKZYOYKI-MQYQWHSLSA-N 378.429 -0.423 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nnc(O)nc1O 998808279 DLMOHQSQMQQGQX-GCHJQGSQSA-N 375.385 -0.264 30 20 GBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@]2(C)C1 1101305527 NZMJJQHFMQVECZ-DICRZQGBSA-N 390.484 -0.671 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)N3CCCCC3)CC2)CC1 1117281208 LJWZSVXXVJAGGL-UHFFFAOYSA-N 390.488 -0.159 30 20 GBED CC(C)OC[C@H](CO)N(C)C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1261353796 FIEBJPPCDXRZRW-INIZCTEOSA-N 389.456 -0.154 30 20 GBED COC(=O)[C@@H](O)CCNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1305992710 SGUOSDRZATVTDR-JQWIXIFHSA-N 383.426 -0.456 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccn(Cc2ccccn2)n1 1320012652 CVDAKSNCXHVCRO-UHFFFAOYSA-N 377.426 -0.018 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCC(C(=O)NCCOC)CC2)CC1 1322544278 RRIIXZRDMNEAQY-UHFFFAOYSA-N 380.489 -0.246 30 20 GBED C#CCOCCNC(=O)C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 1323699241 KCMAFPQONHGNGT-QGZVFWFLSA-N 387.436 -0.022 30 20 GBED O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@@H](N1CCNCC1)C(F)(F)F 1328593725 NIMFEWQCXJFMAD-XROPSADXSA-N 389.378 -0.145 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 1328670406 PWVXWDVJJPSEOT-AWEZNQCLSA-N 386.518 -0.365 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 1330772418 AYGMYPWNKVPVAO-DZGCQCFKSA-N 385.486 -0.280 30 20 GBED COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(CCC#N)CC1 1331111113 OWCKVISWLJGCKT-UHFFFAOYSA-N 381.458 -0.188 30 20 GBED N#Cc1ccc(N2C[C@H](C(=O)N3CCN(S(N)(=O)=O)CC3)CC2=O)cc1 1333558373 XKAUXWVVNBHRET-CYBMUJFWSA-N 377.426 -0.741 30 20 GBED Cc1[nH]c(C#N)cc1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1544484199 RMOKKDKCMRDSRJ-CYBMUJFWSA-N 393.469 -0.744 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C3(C(=O)O)CCS(=O)(=O)CC3)CC2)nc1 1574488557 SBLPSYIVXIOIQV-UHFFFAOYSA-N 392.437 -0.119 30 20 GBED C=CCNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)Cc2ccccc2-c2cnn[nH]2)C1 1575104763 WAHHBPVMGSGBGG-XWIAVFTESA-N 398.467 -0.134 30 20 GBED N#CCSCC(=O)NCCN1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 1581858516 JPQBQHKXQIPZGS-UHFFFAOYSA-N 387.473 -0.243 30 20 GBED C=CCNC(=O)CNC[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCO1 1588659511 NSHGWPSCMFBCNI-CYBMUJFWSA-N 388.432 -0.682 30 20 GBED C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CCN(C)C(C)(C)C1 1588709522 ULVZGGBNGMYHHV-UHFFFAOYSA-N 384.452 -0.186 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2cncc(-c3nn[nH]n3)n2)nn1 1588713710 QPJUFGBIGDYXNJ-QWRGUYRKSA-N 379.388 -0.463 30 20 GBED N#CCSCC(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 1592679508 SKWIEFQCEBOUFB-UHFFFAOYSA-N 388.461 -0.848 30 20 GBED N#CCSCC(=O)N1C[C@H]2C(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 1592680482 OZWLGIPNCZGQRH-QWRGUYRKSA-N 386.441 -0.114 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2snc(Cl)c2-c2nn[nH]n2)CC1 1602724506 GGRNPHSIBKTBGQ-UHFFFAOYSA-N 388.866 -0.434 30 20 GBED C=CCN(C)C(=O)C(=O)N1CCN(c2snc(C)c2-c2nn[nH]n2)CC1 1609055869 BGVLGGILIJYKMH-UHFFFAOYSA-N 376.446 -0.075 30 20 GBED C=CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](n3cc(C(=O)O)nn3)C2)C1 1609407256 WLUOPZKLDJQTFR-CHWSQXEVSA-N 377.401 -0.057 30 20 GBED CCCNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1745783176 PGRKPRRIBVFSDG-OLZOCXBDSA-N 375.433 -0.126 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)C[C@@H]21 1784483484 ZJQWJWIWYPMDLF-LEOABGAYSA-N 377.441 -0.860 30 20 GBED C[C@@H](Oc1cccnc1)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1784548540 USXUMHNBEUBXPM-KUHUBIRLSA-N 387.392 -0.233 30 20 GBED CCc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)nn1C 1789068897 BPTQSEUPDKCHCW-NOLJZWGESA-N 388.424 -0.336 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCCn3ccnc3)C[C@@H]21 1791078082 UGLULVQYLWIZQK-JYJNAYRXSA-N 388.424 -0.269 30 20 GBED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]32)CCC1 1792138960 HPVIHUASUDMLMX-XQLPTFJDSA-N 391.472 -0.747 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1800453347 FLLTXWQOZCOOJJ-YWVIFJGQSA-N 388.449 -0.886 30 20 GBED O=C(O)C#CC(=O)N1CCC2(CCCN(C(=O)c3cnc(O)nc3O)C2)CC1 1810872201 BLKBEQMRFVLCBC-UHFFFAOYSA-N 388.380 -0.179 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc(O)nn2)[C@H]1c1cccnc1 1812876790 XEMWRLSVDPEKRN-ACJLOTCBSA-N 395.375 -0.015 30 20 GBED N#CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](O)N2CCOCC2)n[nH]1 1819444145 RMLKLOFRYOHMMO-GUYCJALGSA-N 376.417 -0.034 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1840163331 RIUYDFKIMRXHFM-IGCXYCKISA-N 385.486 -0.618 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1840165876 MMPAUKIDQNKMPQ-CJNGLKHVSA-N 383.474 -0.557 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840228013 DPMDZCJZLRBAIN-KBXCAEBGSA-N 378.429 -0.727 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)NC(=O)NCC)c1 16557987 LZEDYPKCJHCPOZ-NSHDSACASA-N 381.410 -0.011 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cc(C(N)=O)n(C)c1 268223189 JSNQLQMBBSNAKU-NSHDSACASA-N 389.441 -0.315 30 20 GBED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c(F)c1 283109738 AZBZZWIQJPPZQQ-SNVBAGLBSA-N 376.319 -0.946 30 20 GBED N#Cc1cccc(CS(=O)(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 298863932 RYROUCJANVAVAL-UHFFFAOYSA-N 376.438 -0.189 30 20 GBED N#Cc1ccccc1CN1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 331997358 XOSZYWDVHXQORP-QGZVFWFLSA-N 376.482 -0.021 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](O)C12CCCC2 349461965 ANOBRXWIFVKNTJ-CYBMUJFWSA-N 379.504 -0.129 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 349480486 XVYMHRPEYRBIAL-GZBLMMOJSA-N 391.515 -0.011 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]1c1nncn1C 349495651 MJGVDYQGLAAREG-LBPRGKRZSA-N 390.491 -0.543 30 20 GBED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NC[C@@H](O)CN2CCOCC2)c1 365123454 HJPAWSGGEOKYKD-MSOLQXFVSA-N 386.452 -0.141 30 20 GBED C=CCN1CCC(NC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 369054085 XWLLTCGCIKVEMY-UHFFFAOYSA-N 391.476 -0.691 30 20 GBED Cn1c(=O)c(C(=O)CN2CCO[C@H](C#N)C2)c(N)n(Cc2ccccc2)c1=O 436120916 BIPUHWUBJFHOKT-CQSZACIVSA-N 383.408 -0.415 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCn4ncnc4C3)C2=O)cc1 580855221 KVASNXFXYCSWTL-HNNXBMFYSA-N 393.407 -0.591 30 20 GBED Cn1ncc2c(=O)n(CC(=O)Nc3ccc(C#N)c(-c4nn[nH]n4)c3)cnc21 737627099 IUELSNOCMXWNDZ-UHFFFAOYSA-N 376.340 -0.180 30 20 GBED N#CCN(C(=O)COC(=O)Cn1cc(S(N)(=O)=O)cn1)c1ccccc1 748425379 BRDPWFOHOWHFBZ-UHFFFAOYSA-N 377.382 -0.370 30 20 GBED N#Cc1cccc(OCC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 750646846 LKQANUMLWCPZBQ-JKSUJKDBSA-N 379.438 -0.761 30 20 GBED COCCN1C[C@H](C(=O)NS(=O)(=O)c2ccc(C#N)cc2OC)CC1=O 766977240 KTCSRXIRHGCHNB-GFCCVEGCSA-N 381.410 -0.133 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2c(c1)OCO2 771893225 YAJCNXXOJBKDAI-UHFFFAOYSA-N 380.382 -0.485 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCn1cc(C(=O)OC)nn1 793103799 GCGZAZUMHWKJKD-UHFFFAOYSA-N 389.343 -0.029 30 20 GBED C#CCC[C@H](O)CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 799074302 FRIOPYZZCCSFRM-AWEZNQCLSA-N 379.438 -0.689 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)nc1 804058795 WZMGZPUXLCXZPY-IAGOWNOFSA-N 398.467 -0.419 30 20 GBED C#C[C@@H](Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)[C@H]1CCCO1 804621994 NEZIRYPMVDBLLF-MGHJIYOTSA-N 375.385 -0.970 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCc1ccc(OCCO)c(OC)c1)[C@@H]1CCCO1 809313871 WGYXXXKOLWNZEN-CABCVRRESA-N 376.409 -0.021 30 20 GBED CON=CC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 809702282 FCEFVELXTCPMSR-UHFFFAOYSA-N 390.462 -0.288 30 20 GBED COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C2 820058294 FTLRRELCONVLEA-FQUUOJAGSA-N 395.437 -0.405 30 20 GBED C#CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cn1 834606302 HFOXXJHEHCOIRD-UHFFFAOYSA-N 391.453 -0.194 30 20 GBED Cc1c(Br)c(C)n(NC(=O)CN2CCN(C)C(=O)C2)c(=O)c1C#N 848376269 PJQLTWOTWIKQLF-UHFFFAOYSA-N 396.245 -0.057 30 20 GBED COC(=O)C1(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 848682293 OYDNCMDFKAOANT-UHFFFAOYSA-N 380.378 -0.098 30 20 GBED C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)[C@@H]1CCCO1 848942211 AOQZRUFTUBOFQA-GJZGRUSLSA-N 383.451 -0.052 30 20 GBED C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1nc2ncccn2n1 848961500 ZBDLOWOXSIGHGI-NSHDSACASA-N 386.459 -0.461 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCCN2CC#C)CCO1 871462830 VRUACUVITRHQDP-QYZOEREBSA-N 386.496 -0.475 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(CC(=O)NC)c2)cc1 918353432 LYCVKWSVZFRVRX-UHFFFAOYSA-N 375.410 -0.207 30 20 GBED C=CCn1cc(C(=O)N2CCO[C@@H](CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1 944791677 HBZYNNRYQKTXLS-CTASWTNQSA-N 375.429 -0.011 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCO[C@H]3C(=C)C)C[C@H]2O)nn1 1023771106 MFBSSEASAUQZSA-XNISGKROSA-N 375.429 -0.253 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C)c(C(N)=O)cn2)C[C@H]1O 1025711497 WKNVCKBGULSDIY-MPESAESLSA-N 388.424 -0.618 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@H](C)CN2CCOCC2)CC1 1117173928 PXRJVBYFSUWGDY-HNNXBMFYSA-N 378.473 -0.941 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@H](CC)S(=O)(=O)[C@H](C)C2)C1=O 1117902767 TVXWMFPMUZNISU-RDBSUJKOSA-N 385.486 -0.344 30 20 GBED CCn1cc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nn1 1261708053 ZJSDJGVKFPMAQA-INIZCTEOSA-N 395.423 -0.297 30 20 GBED C=CCn1c([C@@H]2CCNC(=O)C2)nnc1N1CCN(CC(=O)NCC)CC1 1262970430 JFTINXRVCXLUKI-CQSZACIVSA-N 375.477 -0.284 30 20 GBED Cn1cc([C@@H]2CN(CC(=O)NCCC#N)CCN2CC(=O)NCCC#N)cn1 1320043139 ISRZCUIFAVLVRM-INIZCTEOSA-N 386.460 -0.861 30 20 GBED COC[C@H](C#N)OC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 1323742622 AEITZMQDXQCRFV-JTQLQIEISA-N 375.428 -0.256 30 20 GBED C[C@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C[C@@H](C)O1 1326535069 ZMCPSWOYFUABKN-CYJAXWMASA-N 378.473 -0.036 30 20 GBED CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)C(=O)N2CCC(CC#N)CC2)C1=O 1327242314 JAZBPMRXEWCSCC-SCLBCKFNSA-N 375.429 -0.025 30 20 GBED CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)NCCc2ccc(C#N)cc2)C1 1327986211 IFCCIYNYSHJYCI-HNNXBMFYSA-N 378.454 -0.243 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)CC1 1329457665 KCVAJSJNBJRTJF-HNNXBMFYSA-N 399.517 -0.131 30 20 GBED C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1CCN(CCC#N)CC1 1333039618 XEDLYUJYGYRTPT-HNNXBMFYSA-N 393.513 -0.088 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCN1Cc2ccccc2OCC1=O)[C@H]1CCCO1 1333063385 CERCWAMPAZRMRK-NVXWUHKLSA-N 385.420 -0.179 30 20 GBED CN(C)S(=O)(=O)N1CCN(c2nnc(-c3ncccc3CC#N)n2C)CC1 1345714250 PHFQVQMCFRBMQA-UHFFFAOYSA-N 390.473 -0.128 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC(C(=O)NCCCOC)CC1)[C@H]1CCCO1 1347038702 ITFSOWWMCGVTCF-JKSUJKDBSA-N 379.457 -0.325 30 20 GBED C#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 1354070900 PMXKHWILIOPGDI-UHFFFAOYSA-N 382.420 -0.100 30 20 GBED C=C[C@@H](CC)CC(=O)N[C@@]1(CO)CCCN(CC(=O)NCc2cnn[nH]2)C1 1575071920 CMVGNXGOSQRTJK-KSSFIOAISA-N 378.477 -0.034 30 20 GBED C=CCOCC(=O)N1CCOC2(CCN(CC(=O)NCc3cnn[nH]3)CC2)C1 1575110614 VILFBXREFAFHHS-UHFFFAOYSA-N 392.460 -0.683 30 20 GBED CCN(CCC#N)C(=O)CN1CC[C@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1577909374 OFVGOOPBKHNHFC-LBPRGKRZSA-N 385.432 -0.239 30 20 GBED C=CCNC(=O)CN1CCO[C@@](C)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588658958 GBWCANMGIRHVQR-KRWDZBQOSA-N 388.432 -0.682 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCC(O)(CNc2cncc(-c3nn[nH]n3)n2)CC1 1602724513 GKNHGOMTXKXPDF-LBPRGKRZSA-N 386.416 -0.540 30 20 GBED C=CCCO[C@@H](C)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1OC 1602840740 DLPKPYJSAMJHQR-YNEHKIRRSA-N 388.432 -0.042 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCCN(CC(=O)O)C1=O 1603470763 OBJVVVIIPOSIKU-QWHCGFSZSA-N 386.412 -0.291 30 20 GBED CN1CCN(c2ncccc2CNC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1626060235 PFEJEDWBHLCMDC-UHFFFAOYSA-N 383.412 -0.716 30 20 GBED C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1741130142 VLHLZEMMOJOHKG-BLLLJJGKSA-N 393.473 -0.176 30 20 GBED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)N1CCN(C)CC1 1781093308 BXNJTSXIXANZAZ-VQIMIIECSA-N 377.489 -0.244 30 20 GBED C=C(C(=O)N1CC[C@@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1)C(F)(F)F 1783202026 BZZHZHONIWLKJW-XHDPSFHLSA-N 393.362 -0.003 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(F)(F)C(=O)O)[C@H]2C1 1787436026 OHHMVJKCRRHTLK-DCAQKATOSA-N 388.323 -0.836 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(=O)OC)CC1)C2 1793347869 LJXKWZIYVPHKGK-XQLPTFJDSA-N 378.425 -0.433 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)Cc1ccccc1 1800636957 FPZRURXEYFGKCQ-RCJHGTSTSA-N 386.404 -0.732 30 20 GBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCN(C)CC1)C2 1800984270 MQXBBOJIEGZOJF-MPTYRVRUSA-N 384.546 -0.468 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1810247739 ADKVDXVWWMRLFA-QZWWFDLISA-N 389.500 -0.054 30 20 GBED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCOCC2)[nH]n1 1822200016 ARTPSIQFTLNAEO-CQSZACIVSA-N 389.412 -0.178 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1831396032 HILVFHXQORNASD-SCLBCKFNSA-N 392.412 -0.776 30 20 GBED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)n(C)n1 1833449571 XUDQCKUIMOARHU-SJCJKPOMSA-N 398.485 -0.183 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccs1)CCO2 1834437914 SINUVKPBXYKIIH-MRXNPFEDSA-N 379.394 -0.699 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1835357222 LFCKGWGJWWFGOU-KRWDZBQOSA-N 391.384 -0.738 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1nc(N)n[nH]1)CCO2 1837277183 FFEPCZKTEWTWLV-KRWDZBQOSA-N 378.433 -0.648 30 20 GBED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)no1 1838129235 NQBDLOBWRRRCFU-GOSISDBHSA-N 391.380 -0.605 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839882870 BOCDIIHWNYTXPM-HNAYVOBHSA-N 395.456 -0.993 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1840161629 WGBGFWQLVWGOQR-ZBEGNZNMSA-N 398.489 -0.906 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1840169468 GQJCAERVVZKQOW-LJQANCHMSA-N 379.457 -0.228 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1 1840841781 VHMJHAAMOGSETJ-GOSISDBHSA-N 376.413 -0.210 30 20 GBED N#Cc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@@H](O)N2CCOCC2)C3)cc1 1841099522 JJKCGKNUYLNGLR-LJQANCHMSA-N 398.463 -0.045 30 20 GBED O=C1NC(=O)[C@H](CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=N/N2CCCCC2)N1 1848132437 YNJLQIHCTUVAMA-AWORNYGISA-N 390.444 -0.742 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 18021823 NOPRBTBJELOGTN-UHFFFAOYSA-N 394.409 -0.378 30 20 GBED C/N=C(/NCC1CCN(S(C)(=O)=O)CC1)NCC(C)(C)N1CCOCC1 261666514 OOLYISDVOVQQIW-UHFFFAOYSA-N 389.566 -0.066 30 20 GBED C=C[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 290608161 NRKDCSIMSWJZHP-OAHLLOKOSA-N 395.481 -0.037 30 20 GBED COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 293110776 STQFKNDWVKMHRT-UHFFFAOYSA-N 397.395 -0.239 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)CC1 298494464 FKTIBHVVYRDVLO-AWEZNQCLSA-N 390.400 -0.452 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)c2c(N)n(CC(C)C)c(O)nc2=O)c1=O 298622767 ZEOYIDYZBQZWSG-UHFFFAOYSA-N 388.384 -0.715 30 20 GBED CN1CN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CCCCC2)CC1=O 349456900 FDSGOJUZJQDGIR-UHFFFAOYSA-N 392.503 -0.416 30 20 GBED C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1ccc(C#N)cn1 349460138 IEGLAHBSLWABSF-DGCLKSJQSA-N 388.471 -0.130 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@H]([C@H]2CCOC2)C1 349505945 ULQTYTYNVSUFKB-IHRRRGAJSA-N 379.504 -0.104 30 20 GBED N#C[C@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 366010157 XQHRQMCBVAUTRO-AAEUAGOBSA-N 378.410 -0.562 30 20 GBED C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC(=O)N1C 374470951 HQHCESMMNROFFJ-LLVKDONJSA-N 384.371 0.511 30 20 GBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CCC#N)CCN1CCOCC1 446122002 KBLDGYPGZKLDIP-AWEZNQCLSA-N 398.489 -0.839 30 20 GBED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2CC)c1=O 512757147 FDZCCPIOQDFEDI-UHFFFAOYSA-N 399.476 -0.326 30 20 GBED COC(=O)C1(O)CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 539213523 QYXIJAQBHJEHBX-UHFFFAOYSA-N 377.401 -0.025 30 20 GBED CC(C)(C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 565231169 APSIJZCLBOKTTK-UHFFFAOYSA-N 386.455 -0.612 30 20 GBED C[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)CN1CCN(C)CC1 581222204 SPIKOMINYZIQFV-HNNXBMFYSA-N 393.513 -0.164 30 20 GBED Cc1cc(N2CCN3C(=O)NC[C@@H]3C2)c(C#N)c(N2CCN3C(=O)NC[C@@H]3C2)n1 596159637 QKAZRQCROMMMRX-ZIAGYGMSSA-N 396.455 -0.311 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)cc1 598174875 HYDFQFOYWDOERY-DZGCQCFKSA-N 376.438 -0.036 30 20 GBED N#C[C@]1(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCSC1 603885882 MNXCJTUVJSBTQH-MRXNPFEDSA-N 394.478 -0.064 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)COC2CN(C(=O)OC(C)(C)C)C2)CC1 748538835 YCDSMBXMZYZPHC-UHFFFAOYSA-N 394.472 -0.484 30 20 GBED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2occc2C)c1=O 758056895 BSCBCYYWRBZDQM-UHFFFAOYSA-N 383.429 -0.194 30 20 GBED Cn1cc(S(=O)(=O)NN=C2CCOc3ccc(F)cc32)c(=O)n(C)c1=O 771896571 CQTMKTRPHNFEJR-UHFFFAOYSA-N 382.373 -0.312 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCCCNC(N)=O)CC2)o1 785563294 MZCJDKOKJAVMID-UHFFFAOYSA-N 392.416 -0.115 30 20 GBED N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)N1CCN(Cc2ccsc2)CC1 826382881 YXCSKVCDJGVHFY-UHFFFAOYSA-N 398.456 -0.077 30 20 GBED C#C[C@@H](C)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N=c2nc[nH]n2C)cc1 848552575 DOKYNODXYWDZAH-LLVKDONJSA-N 383.455 -0.320 30 20 GBED C#CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC(=O)OC)cc1 848941220 JQBWLNKZOTZYTA-UHFFFAOYSA-N 399.450 -0.372 30 20 GBED C#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N1CCCn2ncnc21 848958513 QKSZPECKUYJEHN-UHFFFAOYSA-N 387.487 -0.365 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)N=c1cc[nH]cc1)[C@H]1CCCO1 848964909 ZEDPUDNIVWAWIG-LSDHHAIUSA-N 387.483 -0.265 30 20 GBED CN1CCN(c2ccc(CNS(=O)(=O)N3CCO[C@H](C#N)C3)cc2)CC1 882662529 ITHUQUDUADZMJY-QGZVFWFLSA-N 379.486 -0.003 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc3n(n2)CCCO3)C1 1024894907 URBZMXGWJXZNLH-NGFQHRJXSA-N 376.413 -0.442 30 20 GBED O=C(C#CC1CC1)NC1(CO)CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1080854373 NMVAFLYHLGIAPC-XYJFISCASA-N 376.453 -0.079 30 20 GBED Cc1nn(CCS(C)(=O)=O)c(C)c1C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 1116285236 BYVBZBZRVLMJFP-SREVYHEPSA-N 394.453 -0.162 30 20 GBED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n(Cc2ccon2)c1=O 1116369197 TVEKXOYHNWBQOT-UHFFFAOYSA-N 384.421 -0.588 30 20 GBED CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3cc(C)n(CCC#N)n3)CCN2C1=O 1116438791 PBMKRBJUZIJLFQ-GFCCVEGCSA-N 387.400 -0.461 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)C1 1118158551 WXFTVAPOJXZKMO-HZMBPMFUSA-N 376.335 -0.467 30 20 GBED CN(C)C(=O)N1CCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)CC1 1118178963 HUIHZKPESPPOIE-UHFFFAOYSA-N 399.455 -0.572 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)CCN1C1CC1 1261849631 LKJRXJRNXIAYIG-DLBZAZTESA-N 375.473 -0.492 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)nn1 1326719415 VTYNJYXJBSUXJN-OAHLLOKOSA-N 387.444 -0.214 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC2CCN(S(C)(=O)=O)CC2)n1 1337189524 CSXAPDREORBBHX-UHFFFAOYSA-N 396.473 -0.012 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)cc1 1338725512 FBVOZFOXUNOERJ-UHFFFAOYSA-N 387.396 -0.401 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 1338909500 MBLQZCKXQYSGSZ-HJPHCXOUSA-N 377.445 -0.247 30 20 GBED Cn1c(Cn2cnc(C#N)n2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1344603515 CLVKYHRYLZUQOV-UHFFFAOYSA-N 398.475 -0.539 30 20 GBED COc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](C#N)C3)C2=O)cc1 1346554695 CKOISNGJQICUGP-HOTGVXAUSA-N 386.408 -0.337 30 20 GBED N#C[C@@]1(C(=O)NCCn2cc(-c3nn[nH]n3)c(O)nc2=O)CC2CCC1CC2 1581857209 TUHCRBPHSVYQAQ-IGCAFJPESA-N 384.400 -0.035 30 20 GBED C#CCOCCC(=O)N(C)C[C@H](O)CN(C)c1nc(C)ccc1-c1nn[nH]n1 1588360955 ZCOKOASUDUALOL-AWEZNQCLSA-N 387.444 -0.134 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 1588405639 OUAFFYJDQMGNRY-ZDUSSCGKSA-N 385.432 -0.224 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@H](O)CNCc1ccc(F)c(-c2nn[nH]n2)c1 1588503844 GRINTLCRNYHSGL-PXAZEXFGSA-N 378.408 -0.100 30 20 GBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)C1 1592681308 PYBJZSZYXYUNAT-GXTWGEPZSA-N 395.427 -0.281 30 20 GBED CN(CCO)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1596047973 MESVCYHAKSXHLZ-UHFFFAOYSA-N 394.497 -0.001 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCC[C@@](CO)(Nc2cnc(-c3nn[nH]n3)cn2)C1 1602725555 KVOAAUNYDMHWME-YVEFUNNKSA-N 386.416 -0.540 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2O)cc1 1602739462 LTOKCJXVWFYEPY-HZPDHXFCSA-N 391.391 -0.209 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H](C)CNc1cncc(-c2nn[nH]n2)n1 1602862668 GLSXHPGSCJZYKH-JTQLQIEISA-N 388.436 -0.163 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1 1625896380 KMTNDFGMWZAISN-HUUCEWRRSA-N 377.422 -0.411 30 20 GBED N#Cc1cn(CCC(=O)N2CCC[C@@H](CN3CCOCC3)C2)c(=O)nc1O 1639342278 JDFHVSIUZZCSMT-AWEZNQCLSA-N 375.429 -0.219 30 20 GBED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1 1705747829 WHRDXCYREMNBJN-SNVBAGLBSA-N 397.910 -0.124 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c1 1780329782 BPRSVYLKPDQDMF-KUHUBIRLSA-N 385.424 -0.144 30 20 GBED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781098404 ZHJZIIHENHVIFO-YLJYHZDGSA-N 376.501 -0.134 30 20 GBED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)n1cccc1C=O 1783562684 OBHSDLRJMOTERE-AUUYWEPGSA-N 387.392 -0.221 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1783565393 LJYRTFAMGHVSHN-CQSZACIVSA-N 385.214 -0.168 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CSCC(=O)O)C2)C1 1783951478 BOLATUIZFLAHRN-GUYCJALGSA-N 384.454 -0.328 30 20 GBED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CCC(N)=O)CCO2 1784198107 YMFSNONJNVERDM-HNAYVOBHSA-N 378.473 -0.397 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1793360557 TXCCUNJILMFBCG-WVCIDPQESA-N 379.457 -0.307 30 20 GBED CC(C)(C)n1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)n1 1794421574 OPCYAAKOLZJJLR-FVCICTRLSA-N 388.424 -0.071 30 20 GBED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1 1795388333 YTLZPPJFAXEENS-BASYENTBSA-N 379.457 -0.163 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 1799393864 QKOVKALJZXSRAR-JAAXMTQOSA-N 380.445 -0.345 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc2ncnn2c1 1799854595 PLEXOUGBZXNZBB-QDMKHBRRSA-N 381.392 -0.002 30 20 GBED CC(C)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)C(C)C 1800775854 KWHBWXVSRYOQCT-DACLVMHWSA-N 379.457 -0.313 30 20 GBED C[C@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1801405063 ALGCZSJVXDMDTE-FLTUCWPJSA-N 387.392 -0.474 30 20 GBED N#CCC(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1806281274 ZEQMCGGFMNKWII-SUMWQHHRSA-N 384.396 -0.447 30 20 GBED N#CCCC(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1806862655 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PCVYRSXNBUHSEU-IIDMSEBBSA-N 398.460 -0.622 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCO3)C2)C1 1840040723 VMWUUXGEGXGBBI-KBXCAEBGSA-N 380.397 -0.900 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](c3nnc(S)n3C)C2)C1=O 264715746 FRXQUKNYOGZPFL-SNVBAGLBSA-N 392.441 -0.213 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)COc1ccccc1C#N)C2 276343585 GLWYAJRYMXPHPD-UHFFFAOYSA-N 384.396 -0.574 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1CO 288619785 OEWWPWLOGWFVNM-COXVUDFISA-N 384.436 -0.138 30 20 GBED CN(C)C(=O)C/N=C(/O)N1CC[C@@H](N(C)Cc2cc(O)nc(N(C)C)n2)C1 330456363 XLEGLMFSRGENIG-CYBMUJFWSA-N 379.465 -0.244 30 20 GBED C[C@H]1C(=O)NCCN1S(=O)(=O)CCCCS(=O)(=O)N(C)C(C)(C)C#N 349591050 NAUKRKSFFOHBQA-LBPRGKRZSA-N 394.519 -0.520 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN([C@H]2CCOC2)CC1 366043492 WMCSSXIFTNETKJ-ZDUSSCGKSA-N 378.454 -0.342 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@H]5O)CC2)c1 410745563 HIIFZVCCDBCDTE-DTJSUFBGSA-N 381.436 -0.170 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](N(C)CC(=O)O)[C@H](O)C2)cc1 435698516 RNLMBUJOCWAIQF-LSDHHAIUSA-N 397.453 -0.647 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](C)CN1CCOCC1 460603381 FJWCRBSPVSVMGC-CQSZACIVSA-N 397.439 0.223 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(C#N)cc1 498871117 BCZITQUYGJPAEW-AWEZNQCLSA-N 381.410 -0.373 30 20 GBED CS(=O)(=O)NCC1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 581451993 BVHFHXBZNCJQRL-UHFFFAOYSA-N 386.499 -0.012 30 20 GBED CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 582364633 MZXMRBSGXNBBSL-OAHLLOKOSA-N 393.469 -0.486 30 20 GBED CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C1 583075229 FIOSVHHIZQKPGE-KRWDZBQOSA-N 384.484 -0.431 30 20 GBED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N1CC[C@](O)(CC#N)C1 591957483 DWWVUHMQHABZQP-QGZVFWFLSA-N 396.469 -0.141 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCOC2)c1 594631672 SAJFQXFLOKXSIP-GFCCVEGCSA-N 384.439 -0.208 30 20 GBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC1CCN(CC#N)CC1 610240390 YPYYDTWDWNPFHJ-GFCCVEGCSA-N 382.490 -0.192 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CCO1 619709762 KGCRZCNFHDLYKN-STQMWFEESA-N 379.442 -0.577 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(C(=O)OCC)c2)CC1 728589631 JIJSCWSWRQHJLG-UHFFFAOYSA-N 393.465 -0.081 30 20 GBED CC(=NNCCS(C)(=O)=O)c1ccc(S(=O)(=O)NCC(=O)O)cc1 733204637 XHNOIXCJOAFQJA-UHFFFAOYSA-N 377.444 -0.592 30 20 GBED C[C@H](CC(=O)N[C@@H]1CCS(=O)(=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742488543 DQYCRULOTWEZFD-GHMZBOCLSA-N 385.467 -0.193 30 20 GBED COCCNC(=O)CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742499687 VXSURUVGANUERK-LLVKDONJSA-N 382.442 -0.618 30 20 GBED Cc1c(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cnc2c1c(=O)n(C)c(=O)n2C 748435254 QNOMVHCEZLDMPQ-LJQANCHMSA-N 399.407 -0.094 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)C#Cc1ccc2c(c1)OCO2 773679781 ZZBURKJZAYGLLI-CQSZACIVSA-N 388.376 -0.327 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1CCCO1 809307189 ADESEZVIRMGAMF-CABCVRRESA-N 387.396 -0.065 30 20 GBED C=C[C@@H](O)C(=O)OCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 814550198 QCDUBROBEYILDI-OAHLLOKOSA-N 379.388 -0.002 30 20 GBED CCn1ncn(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1=O 854631092 JWXDNXAJPRFZNS-UHFFFAOYSA-N 378.414 -0.346 30 20 GBED C=C[C@H](O)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 855581039 KYPWZJAFKFRRSU-INIZCTEOSA-N 383.470 -0.190 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cnc(Cl)c(F)c2)CC1 872515939 YJWZHEKKAVYLOP-UHFFFAOYSA-N 396.853 -0.352 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2OCC#C)CC1 893002934 XIPVZGXZMMCQKH-UHFFFAOYSA-N 390.465 -0.007 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nn3c(c2C)OCCC3)C[C@@H]1O 970711813 NLWLYLRVZWYZPP-KBXIAJHMSA-N 390.440 -0.133 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2nnc(O)nc2O)C1 981809425 URNGTDOXKHSHQI-QCNOEVLYSA-N 377.401 -0.111 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cnn(C)c2C)C[C@H]1O 1025710259 GFHIKXKKZWMAAU-VQHPVUNQSA-N 376.457 -0.060 30 20 GBED C[C@@H]1CCO[C@@H]1C(=O)N1CCN(c2cnc(C#N)cn2)[C@H]2CS(=O)(=O)C[C@H]21 1054787903 FWWUMGMKPXDPNS-UJDVCPFMSA-N 391.453 -0.413 30 20 GBED Cn1c(=O)ccn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nn2)c1=O 1055235605 VFQLDOPMESTPNP-RDBSUJKOSA-N 381.396 -0.865 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@H]2O)O1 1077669595 AUNXMFRCHMDGFN-TVFCKZIOSA-N 386.452 -0.145 30 20 GBED Cn1c(CN2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2ccc(C#N)[nH]2)cc(=O)n(C)c1=O 1095329390 JUYWXOXXVLMCPS-KCXAZCMYSA-N 382.424 -0.181 30 20 GBED COc1ccccc1CONC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1117359592 MRWZWYAHAZLVFN-NXVVXOECSA-N 388.380 -0.114 30 20 GBED N#CC[C@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 1118675330 SYADVZAMWNXMPH-CYBMUJFWSA-N 388.515 -0.367 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2C[C@@H](CO)C[C@H](OCCOC)C2)CC1 1120456367 ZNYBCRKHJNOXFI-HOTGVXAUSA-N 384.473 -0.212 30 20 GBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@H](C)C1 1208051809 UVSCMMCEBJUZLW-TVFCKZIOSA-N 392.500 -0.948 30 20 GBED C=CCn1c(COC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1321217005 ILOYEVLCSSWZBE-UHFFFAOYSA-N 376.421 -0.923 30 20 GBED CN1Cc2ccccc2[C@H](NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1323940267 QUUVUSRYXSGXKQ-ZDBRSUKYSA-N 397.435 -0.068 30 20 GBED Cn1cnc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 1329421782 YRBNMKLNEKYBAU-AWEZNQCLSA-N 381.396 -0.385 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 1330495943 PBJMFSQQTAZGCC-CQSZACIVSA-N 391.428 -0.274 30 20 GBED COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)C1 1330541217 KCGVBEGWXVTSIQ-OAHLLOKOSA-N 390.362 -0.002 30 20 GBED CN(C)CCN(C)CCCN(C)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1331989609 RSLFQOSWSPAHQA-KRWDZBQOSA-N 378.521 -0.473 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N2CCC(C)(C#N)CC2)CC1 1348536563 SLWQABDYYHRNSD-UHFFFAOYSA-N 399.517 -0.131 30 20 GBED C[C@@H]1CN=C(N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)S1 1465133723 SVXDGNFYQWMJKN-LLVKDONJSA-N 376.442 -0.154 30 20 GBED N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2COCCO2)CCO1 1521122723 XRMXSZLLGBKVGB-UONOGXRCSA-N 376.417 -0.342 30 20 GBED C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCNC)CC1 1574706580 FOEQIKSWCWFEOA-UHFFFAOYSA-N 375.477 -0.399 30 20 GBED COCCN(CCNC(=O)c1c[nH]c(C#N)c1)c1nccnc1-c1nn[nH]n1 1579800823 TUSIYJDXGFAOLT-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED Cc1nc(N2C[C@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)ccc1C#N 1581483830 URHAWHWJANGDIV-KGLIPLIRSA-N 379.384 -0.251 30 20 GBED N#Cc1cc(C(=O)N[C@H]2[C@@H]3CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C[C@@H]32)c[nH]1 1581864975 YOAKSNPIPXWIAX-IMRBUKKESA-N 377.368 -0.105 30 20 GBED C#CCOCCC(=O)N1C[C@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@@]2(C)C1 1588359131 HUWHKJZUGVMPLH-SCLBCKFNSA-N 382.428 -0.019 30 20 GBED C=CCNC(=O)CN1CC2(C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CO2)C1 1588659148 ILISQAXJDXVKTB-GFCCVEGCSA-N 386.416 -0.930 30 20 GBED C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CC[C@@H]2OCC[C@@H]2C1 1588709465 SADSAAGFWKADLY-NEPJUHHUSA-N 383.420 -0.101 30 20 GBED C=CCCO[C@@H](C)C(=O)NC[C@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCO1 1602841471 YGQRTMYOPPXRLS-STQMWFEESA-N 388.432 -0.041 30 20 GBED N#Cc1sccc1N1CCN(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC1 1606399190 PWYIPSLIRUNOPH-UHFFFAOYSA-N 399.444 -0.077 30 20 GBED O=C(N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1)c1ccc(-c2nn[nH]n2)[nH]1 1606640596 PHJOIKSVLTVLEY-GOSISDBHSA-N 383.412 -0.309 30 20 GBED N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2cc[nH]n2)CCO1 1770748038 LRRYGKLEHRBBAL-OLZOCXBDSA-N 386.416 -0.336 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1778968279 OKPGAFXJNWXPMW-NJSLBKSFSA-N 381.473 -0.099 30 20 GBED Cn1nncc1C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134653 MDMQNCJUFFKBHQ-KDCXGNEQSA-N 386.412 -0.029 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccc(O)nn4)C3)C2)CC1 1782672698 HVPVIBPFIKGAJI-GOSISDBHSA-N 387.396 -0.305 30 20 GBED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783155971 AQFNASAXDQXHQX-DNVCBOLYSA-N 379.457 -0.065 30 20 GBED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](O)NC(=O)OCC)[C@H]3C2)C1 1788469595 ORGLSZJUVCVVAT-NZUILWFCSA-N 395.456 -0.003 30 20 GBED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1793380018 JEOSSSZXMMNUPN-WTNWGCMGSA-N 398.485 -0.872 30 20 GBED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1793383667 YNDYKFIYKNTWSC-OGMFBOKVSA-N 386.518 -0.877 30 20 GBED CC(=O)N(C)[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1796454640 NCSWXWWLIWBGCX-FIUQPQMISA-N 387.440 -0.044 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ccncc12 1797062140 DXVYBXSHIINBKP-DPIQGUFMSA-N 383.364 -0.980 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)[nH]1)C2 1797712070 PELGPDXSIPHWQK-ZMJPVWNMSA-N 378.429 -0.108 30 20 GBED N#CCCC(=O)NC[C@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1806863259 NSQPSEBHFIFHMR-VKJFTORMSA-N 386.456 -0.016 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2 1833877383 AMDBTUUAALDUDR-QGZVFWFLSA-N 395.485 -0.196 30 20 GBED COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)cn1 1835354054 KRQIRKUXTWYYTH-GOSISDBHSA-N 389.412 -0.141 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1835357143 ICGACRXRVVPSOW-OAHLLOKOSA-N 389.355 -0.143 30 20 GBED CC[C@@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838736028 FQSWLFCLUACKFL-BEFAXECRSA-N 389.456 -0.046 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCCOC3)CCO2)C1 1840871987 FCCSSKAPFJAALR-UWVAXJGDSA-N 394.468 -0.092 30 20 GBED COc1cc(/C=C/C(=O)N2CCN(S(N)(=O)=O)CC2)ccc1OCC#N 264725854 YPRFYZQMMQDEOJ-HWKANZROSA-N 380.426 -0.042 30 20 GBED COC(=O)[C@H]1COCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 268925025 RFJROPHYZWYULT-SMDDNHRTSA-N 381.410 -0.375 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 268928263 WOQVCFCGBUFLPT-LBPRGKRZSA-N 398.489 -0.565 30 20 GBED CCOC(=O)CO/N=C(/C(=O)Nc1cnn(CC(=O)NC)c1)c1cc[nH]n1 276622483 RFLOUYBNFJVTHV-KGENOOAVSA-N 377.361 -0.725 30 20 GBED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)NCCn2cnc(C#N)n2)C1 286722231 GKVYSPHZFGHCSP-ZDUSSCGKSA-N 391.432 -0.407 30 20 GBED C#CCN(C)C(=O)C(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 298558189 DDDMBDOMFAPNRF-AWEZNQCLSA-N 394.472 -0.043 30 20 GBED C[C@](O)(CC(=O)N1CCN(C/C(O)=N/[C@@H]2CCS(=O)(=O)C2)CC1)C1CC1 328773669 KBSFNTIUZSRNPV-PBHICJAKSA-N 387.502 -0.175 30 20 GBED CN1CCN(C)[C@H](C/N=C(/O)N2CCCC[C@@H]2CCNS(C)(=O)=O)C1 329395799 XEFBULRGCSXFLV-HUUCEWRRSA-N 375.539 -0.060 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(/C(O)=N/[C@@H]1CCN3CCCC[C@H]13)C2 329817380 WPJUVQWMXLOHAP-ZIAGYGMSSA-N 391.476 -0.511 30 20 GBED CCN([C@H]1CCNC1=O)S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 349451402 NELRXTUPEMGBRX-NSHDSACASA-N 386.455 -0.612 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](O)C1 349535419 VXBYAHGMHPVQEL-NEPJUHHUSA-N 383.517 -0.956 30 20 GBED CCOCCCN(C[C@@H](C)C(=O)OC)S(=O)(=O)N1CCO[C@@H](C#N)C1 410161960 NMTBGXQUXAJWIT-KGLIPLIRSA-N 377.463 -0.007 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCCCN2CCNCC2)CCN1Cc1ccccc1 419876450 VQKUTPNYDSJXMB-IBGZPJMESA-N 398.511 -0.366 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(C)C(=O)[C@@H]1C 440276170 ZLDVDFLITGXMKZ-LBPRGKRZSA-N 381.396 0.075 30 20 GBED CCCCN(CCO)C(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 459826908 XCMWVOVSOXMXPE-UHFFFAOYSA-N 376.461 -0.130 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCCN1C(=O)CNC1=O 462107015 YKIIJNOLZUNTAZ-UHFFFAOYSA-N 382.384 0.511 30 20 GBED COC(=O)CN(CC#N)C(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1 523128754 NRQVQTDSNUSDTF-UHFFFAOYSA-N 399.425 -0.103 30 20 GBED CNS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 559362911 JDKDRBJMKVYWDO-UHFFFAOYSA-N 376.435 -0.096 30 20 GBED C[C@H]1C[C@H](O)CN1S(=O)(=O)c1cccc(S(=O)(=O)N(CC#N)CC#N)c1 563429784 CIRODSONLTUDPT-STQMWFEESA-N 398.466 -0.132 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](C(=O)O)C(C)C)CC2)c1C#N 594543835 HZHKYHQDQQNZMF-CQSZACIVSA-N 390.444 -0.278 30 20 GBED COc1cc([C@@H](C#N)NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc(OC)c1OC 597039669 NCWDORRICCPONR-BRXULGCHSA-N 378.381 -0.194 30 20 GBED C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601467543 WSYPMQBUYYYTQR-INIZCTEOSA-N 377.489 -0.244 30 20 GBED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccsc2)c(=O)n1CC(N)=O 608911973 XVSJJJALXZDXKM-UHFFFAOYSA-N 388.474 -0.418 30 20 GBED CN1CCN(C(=O)CN(C)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 610761512 HKONAEJCGFENEB-UHFFFAOYSA-N 393.469 -0.931 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 646954795 ADDODAHSVOSNGF-GFCCVEGCSA-N 397.453 -0.226 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccsc2C(=O)OC)CC1 728589401 FFWPAOSDSOAYNY-UHFFFAOYSA-N 385.467 -0.410 30 20 GBED C#Cc1cccc(NC(=O)CNC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)c1 750669775 GZYJYFNZOYHSPK-UHFFFAOYSA-N 389.437 -0.257 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)Cc2ccc(OC)cc2)CC1 761025488 URUIBVQVMVMJBQ-UHFFFAOYSA-N 394.497 -0.261 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COCc2ccc(OC)cc2)CC1 761031441 RVLBKLSRGKYHFJ-QGZVFWFLSA-N 397.497 -0.342 30 20 GBED N#CC1(CS(=O)(=O)NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CC1 793201613 OJZBPODWWZABBO-ZDUSSCGKSA-N 393.400 -0.005 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(CC(=O)OC)c2)CC1 810045979 BJXMTWBWLFUMBR-UHFFFAOYSA-N 393.465 -0.542 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC3(CC2)COC(=O)N3)cc1 811016515 QXUHJKCEOGJDFZ-UHFFFAOYSA-N 378.410 -0.062 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Cn2nc(C(F)(F)F)cc2C)CC1 831575157 ZCIYEVRPIRUWRK-UHFFFAOYSA-N 393.391 -0.178 30 20 GBED CCCCCCCCNC(=O)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 842220700 GVWUINWQEZMPOI-UHFFFAOYSA-N 388.534 -0.091 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](O)C[C@H](C(=O)OC)C2)c1 844109768 HUSBFEHPIWJWGO-KBPBESRZSA-N 380.422 -0.406 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)C[C@@H]2CCC(F)(F)C2)CC1 872514888 CIIDDPBUUJRCMP-GFCCVEGCSA-N 385.458 -0.163 30 20 GBED CC[C@]1(C)NC(=O)N(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O 920523929 PYUQSPXOIOJGKS-HNNXBMFYSA-N 379.398 -0.412 30 20 GBED C#CCNC(=O)CN1CCN(CCOCCN2C(=O)c3ccccc3C2=O)CC1 929510870 LABYMDFYJGKVPL-UHFFFAOYSA-N 398.463 -0.334 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@H](OC)C1 943059341 XLOHMWIYBSHRNZ-JSHWQEIDSA-N 391.424 -0.070 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@@H]1O 964615283 MCHDEYXPUFSRHI-MQYQWHSLSA-N 377.397 -0.339 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[nH]3)C[C@@H]21 1083085436 RGITYNVUVPWMDC-CBBWQLFWSA-N 377.445 -0.499 30 20 GBED C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCN(C(C)=O)CC1 1109072229 AKCJRNZHSQVAGT-IKGGRYGDSA-N 378.473 -0.399 30 20 GBED COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)NCc2cccc(OCC#N)c2)C1 1118150357 BNVSETSNLSTQHU-KBPBESRZSA-N 375.381 -0.412 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3CC[C@@](O)(CC#N)C3)CC2)c1C#N 1118190636 ZHEUQSURXVHZMP-KRWDZBQOSA-N 388.453 -0.151 30 20 GBED C#Cc1cccc(CNC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1 1118624289 KFNGKXXZFTZSOS-UHFFFAOYSA-N 378.454 -0.765 30 20 GBED N#CCCCCNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 1322762645 OUAZAZMQSGWEIX-UHFFFAOYSA-N 385.424 -0.315 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CCS(=O)(=O)CC2)CC1 1324830459 MZADOZRIPISOIG-UHFFFAOYSA-N 376.438 -0.536 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2ncnn2-c2ccccc2)CC1 1325814516 JUFQPUBOIFLVTN-UHFFFAOYSA-N 394.435 -0.129 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)C(=O)NCCNC(=O)C3CC3)CC2)nc1 1325957974 ZMSWXIAUPFUIDY-UHFFFAOYSA-N 384.440 -0.319 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C 1327247720 KRFCHDOREZSVCY-UONOGXRCSA-N 384.477 -0.029 30 20 GBED COC(=O)C1(C#N)CCN(C(=O)C(=O)N2CCC(N3CCOC3=O)CC2)CC1 1327444481 RILKCFKMRKAMAX-UHFFFAOYSA-N 392.412 -0.265 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CC(=O)N(Cc3ccccc3)C2)CC1 1331249055 FNNNBSRMOVBKHB-UHFFFAOYSA-N 396.447 -0.197 30 20 GBED CN(C)CC1(CNC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCCC1 1342100615 SEVQWFQXILGONP-NXVVXOECSA-N 391.472 -0.133 30 20 GBED C#CC1CCN(C(=O)C(=O)N2CCC(C(=O)NCC(=O)OCC)CC2)CC1 1345973369 SNRRXKDDBHZTGC-UHFFFAOYSA-N 377.441 -0.224 30 20 GBED N#Cc1ccc(C(=O)NC[C@@H]2COCCN2c2cnc(-c3nn[nH]n3)cn2)[nH]1 1571152259 GJZSJTRFXIGQHS-LLVKDONJSA-N 380.372 -0.508 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1c1nc(C)ccc1-c1nn[nH]n1 1573286580 FJUUUPKUBBLJCI-KBPBESRZSA-N 385.428 -0.070 30 20 GBED C[C@H](C#N)C(=O)N1CC2(CC[C@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)O2)C1 1573561715 MGUOTKCZWNAJTG-GHMZBOCLSA-N 384.400 -0.156 30 20 GBED C=C[C@](C)(O)CC(=O)NC1(CNC(=O)CC(=O)NCc2cnn[nH]2)CCCC1 1575071975 DTPJUOJVXPFYBJ-KRWDZBQOSA-N 392.460 -0.317 30 20 GBED C=CCn1cc(C(=O)N[C@H](C)C2CN([C@H](C)C(=O)NCc3cnn[nH]3)C2)nn1 1575112196 QPEORDDIHFQQNF-VXGBXAGGSA-N 387.448 -0.663 30 20 GBED Cc1nsc(N2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c1-c1nn[nH]n1 1581682603 VIVADYGPJOGAAZ-MNOVXSKESA-N 385.413 -0.189 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CNCc1ccc(F)c(-c2nn[nH]n2)c1 1588503847 GRINTLCRNYHSGL-YVEFUNNKSA-N 378.408 -0.100 30 20 GBED C=CCCn1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)nn1 1588620752 GDPIPSUHUFSYFT-NSHDSACASA-N 381.404 -0.167 30 20 GBED C[C@H](C#N)CN(C)C(=O)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 1588930701 HJBZHWXYFSYVSB-GFCCVEGCSA-N 383.416 -0.472 30 20 GBED CCN(C[C@@H](C)C#N)C(=O)Cn1c(=O)c(-c2nn[nH]n2)c(C)n(C2CC2)c1=O 1590682669 NXZNTUHRENFVCV-JTQLQIEISA-N 386.416 -0.158 30 20 GBED CN(C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(=O)CSCC#N 1591046481 SMCGVXKRBOPRCM-SNVBAGLBSA-N 378.418 -0.999 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cn2cncn2)C(=O)O)c1 1602905078 SUFDHEDWXFNTCI-ZDUSSCGKSA-N 379.398 -0.374 30 20 GBED COC(=O)[C@@H]1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)[C@H](C(=O)O)C1 1606404070 ROKDTGAFSKLGSL-XWXLAHMZSA-N 379.369 -0.232 30 20 GBED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2 1780734503 QCLAJATXCKZQRQ-FZKQIMNGSA-N 384.429 -0.680 30 20 GBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1781692526 VWUPZNKOUUBWAC-YLJYHZDGSA-N 388.512 -0.087 30 20 GBED Cc1ncc(CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)s1 1783567262 LJKCUVLGNDAWDS-KRWDZBQOSA-N 377.422 -0.088 30 20 GBED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)n3[nH]nnc3n1)CCO2 1783907382 XLWRLHWFQSUHPN-GOSISDBHSA-N 399.411 -0.940 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784455470 WWNAPWSBOCMJJN-KXBFYZLASA-N 388.424 -0.276 30 20 GBED CN1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)C1 1786860364 ZBGSZQUTNCHKFG-XIRDDKMYSA-N 391.516 -0.190 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)[C@H]2C1 1787500604 OKVLRPWWFUJKMU-CUOUOBHDSA-N 378.454 -0.598 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OC)cn1 1794948665 XSFWUGVYYOGRPD-VWPFQQQWSA-N 388.424 -0.273 30 20 GBED Cc1nc(N)sc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1795668942 KBNOJVLYQDGQRL-DDFAGTSDSA-N 378.410 -0.675 30 20 GBED COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c(O)c1 1798835609 PKPLCEGOURWRRK-KSPBDQMDSA-N 388.376 -0.308 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C(\C)NC(C)=O 1800170505 HYBCKVDIVVAGCI-LRIGPNIBSA-N 377.441 -0.346 30 20 GBED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)CNC(=N)N)CC2)CC1 1833146403 GIYXOZMDQYKSIF-UHFFFAOYSA-N 377.493 -0.409 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(O)nn4)C3)C2)CC1 1835341311 WNIOSKZXUVKAOB-SFHVURJKSA-N 387.396 -0.444 30 20 GBED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)COCCO)CCO2)C1 1839195563 YKTKAGKMKGPLOL-INIZCTEOSA-N 392.399 -0.337 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1840840488 UWQKQVBSSNXFOD-GOSISDBHSA-N 376.413 -0.391 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1840842451 HDIBXOANILXDFE-BEFAXECRSA-N 394.472 -0.436 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC(=O)NCc2ccco2)c1=O 25521735 HFBOLXYOPQEVTB-UHFFFAOYSA-N 389.368 -0.837 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)C1=O 266045584 UUTQKMPYVCVHCU-STQMWFEESA-N 379.413 -0.258 30 20 GBED CCCCn1c(N)c(N(CC)C(=O)CN2CCOC[C@@H]2C#N)c(O)nc1=O 266850573 CNPUCMGRNYSPDN-LBPRGKRZSA-N 378.433 -0.092 30 20 GBED CNS(=O)(=O)C1CCN(/C(O)=N/[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 329814992 UWFBNJZQFICVDC-CYBMUJFWSA-N 398.489 -0.239 30 20 GBED CC(=O)N1CCN(/C(O)=N/CCS(=O)(=O)NC[C@@H]2CCCCO2)[C@@H](C)C1 330037048 CZYKXPMYIHPLSF-ZFWWWQNUSA-N 390.506 -0.059 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCc2c[nH]nc2C1 349622191 VHHQPBCVQPIELR-YPMHNXCESA-N 389.503 -0.250 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 349632208 YWCHVVNKJPETRP-KBUPBQIOSA-N 391.515 -0.009 30 20 GBED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NC[C@H]3CNC(=O)C3)CC2)cc1 422505701 UJOBJVBFUTYFAV-QGZVFWFLSA-N 383.452 -0.155 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O 425826596 PHVMPIHBIBSBSI-GFCCVEGCSA-N 388.380 -0.214 30 20 GBED CN1CCC[C@@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1=O 498827858 KIJOZWLQRGSJED-DLBZAZTESA-N 383.452 -0.040 30 20 GBED C=CCN(C(=O)CSCC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 516800385 KUVCVVDLAVYRMA-ZDUSSCGKSA-N 376.500 -0.220 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1 568531365 BURXJABJLGMHRO-TUKIKUTGSA-N 385.467 -0.120 30 20 GBED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(N)=O 578956591 OCLUNDGYNRRLMK-SNVBAGLBSA-N 384.417 -0.022 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(c3nc(N)n[nH]3)CC2)cc1 597663960 QEJOFNKSRZOKCX-UHFFFAOYSA-N 389.441 -0.057 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(O[C@H]3CCOC3)CC2)c1=O 748270632 SRTKASUCGWTONF-INIZCTEOSA-N 392.456 -0.229 30 20 GBED CCOC(=O)CN(C)C(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 782047600 DTEOJPXYYMFGGN-UHFFFAOYSA-N 397.409 -0.710 30 20 GBED C#C[C@H](NC(=O)C(=O)N1C[C@H](C(=O)NCCOC)CC[C@H]1C)[C@H]1CCCO1 809305270 APSNHZKGIGASPP-LVQVYYBASA-N 379.457 -0.327 30 20 GBED CNS(=O)(=O)c1csc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[nH]2)c1 821637677 PAWNRCVPURWWTL-UHFFFAOYSA-N 379.387 -0.317 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(c3ccccc3)CNC(=O)C2)CC1 831574917 SLYMFTWCEHSVPR-GOSISDBHSA-N 390.465 -0.944 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cncc(OC(C)C)c2)CC1 858942148 RYXVQDDNBRTATA-UHFFFAOYSA-N 380.470 -0.076 30 20 GBED CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NS(=O)(=O)c1cncc(C#N)c1 860785231 QAMHXQIVKIUOII-UHFFFAOYSA-N 395.441 -0.432 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)c3ccc(=O)n(C)n3)C[C@@H]21 960979359 YWLVYHDCQLRRPT-SYAUCNOPSA-N 388.424 -0.577 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H](OCC)[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)cn1 983121641 NIDNHBJQGKALBA-MXASKKJJSA-N 384.436 -0.222 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1cnc(C(N)=O)n1 1003162178 XJOCELHUUYAQNK-POQQGIQPSA-N 388.428 -0.784 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)o2)C1 1024876028 WIOYOWAMAIBXDS-LPWJVIDDSA-N 377.397 -0.339 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1nc[nH]n1 1111261614 YJPXXDLTVCFGDU-LOWDOPEQSA-N 375.433 -0.531 30 20 GBED N#Cc1cccnc1OC1CCC(NC(=O)C(=O)NC[C@@H]2COCCN2)CC1 1118925734 WMHSJXHLLVWUJB-HWOWSKLDSA-N 387.440 -0.136 30 20 GBED N#CC1(c2ccccn2)CCN(C(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1 1261163544 SASJABYGORZQEX-KGLIPLIRSA-N 385.424 -0.386 30 20 GBED N#Cc1ccc(OC[C@H](O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1 1321596858 SELRFSOKDHOIHK-CYBMUJFWSA-N 393.421 -0.203 30 20 GBED N#Cc1ccc(OC[C@@H](O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1 1321596864 SELRFSOKDHOIHK-ZDUSSCGKSA-N 393.421 -0.203 30 20 GBED C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)CCO2 1322696324 VSIARWYVIVXGLY-CBIKCGGVSA-N 392.412 -0.965 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(Cc2cscn2)CC1 1323998098 UQQXKYIQISEEGT-UHFFFAOYSA-N 386.499 -0.496 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2ccc(NC(C)=O)nc2)CC1 1329398061 PKVJARYUKJPOPG-UHFFFAOYSA-N 385.424 -0.356 30 20 GBED N#Cc1cccc(CN2CCC(NC(=O)C(=O)N3CC[C@H](NC(N)=O)C3)CC2)c1 1329867972 QRYJQOYKYBJFTO-KRWDZBQOSA-N 398.467 -0.092 30 20 GBED N#C[C@H](C(=O)NC1CCCC1)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1343981929 BCMUDZBHJRCHDN-UBHSHLNASA-N 381.454 -0.210 30 20 GBED N#Cc1cn(CC(=O)N(CCN2CCOCC2)[C@@H]2CCSC2)c(=O)nc1O 1556834458 KYRZVVCXFNXHGY-CQSZACIVSA-N 393.469 -0.513 30 20 GBED C#CCNC(=O)CC(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573286333 ZASRQTQZIWXDEO-GFCCVEGCSA-N 384.400 -0.993 30 20 GBED C#Cc1cncc(C(=O)NCC2(O)CN(C(=O)CCOCc3cnn[nH]3)C2)c1 1575032831 OGMHUGJGKNRZQF-UHFFFAOYSA-N 384.396 -0.909 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)NCc1ccc(OC)c(-c2nn[nH]n2)c1 1588346691 TVSULPCEBAFVBY-UHFFFAOYSA-N 386.412 -0.010 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@H]1CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)CC2 1588354657 UOAGXKINELZRDO-KBPBESRZSA-N 382.428 -0.377 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 1588356769 ZYSSWDVMVXCIEB-DGCLKSJQSA-N 376.392 -0.389 30 20 GBED C#CCOCCC(=O)NC[C@]1(C)CN(c2nccnc2-c2nn[nH]n2)CCO1 1588361093 DMKOLQAQJFCMJD-QGZVFWFLSA-N 386.416 -0.592 30 20 GBED C#CC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)O 1588405328 GBHJZLZMYDKBHE-SYQHCUMBSA-N 384.454 -0.311 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@H](S(N)(=O)=O)C1 1592666506 ZKQFHCOLJQGWPT-OLZOCXBDSA-N 375.414 -0.562 30 20 GBED CO[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1605147120 FUIVBCYVCKESLQ-ZIAGYGMSSA-N 395.383 -0.336 30 20 GBED C=CCSCCNC(=O)C(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 1609059188 WLWHJABGDVMLNL-UHFFFAOYSA-N 376.446 -0.175 30 20 GBED Cn1ncc(C(=O)O)c1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 1610614135 FAZAHVDUQMGNJL-UHFFFAOYSA-N 378.389 -0.869 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1778966920 IAMCKVLIHVXFSJ-SCLBCKFNSA-N 377.445 -0.168 30 20 GBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(=O)c2cnccn2)C1 1779473623 JFNGLMCVCWLPLA-YYFZDKIDSA-N 399.451 -0.258 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(CO)on2)C1 1780219565 QPGCYEZZAJPECY-RDTXWAMCSA-N 391.380 -0.618 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1781390638 MPKGAUXOVDCUFW-XJKSGUPXSA-N 389.474 -0.338 30 20 GBED CN1CCC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)CC1 1782009744 XBZDIISOJABNEJ-OXQOHEQNSA-N 391.468 -0.070 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=S)NCC)C2)C1 1782640781 VTMYSFNXXWHAKY-KSSFIOAISA-N 396.513 -0.661 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784388587 YWRAZMYVGCJAAM-CXAGYDPISA-N 393.469 -0.235 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784601563 OILVAFBGRONSRI-DEYYWGMASA-N 392.460 -0.363 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)C(C)C 1793070302 KCSHRAYJUJFMCJ-DWSOTWMNSA-N 379.457 -0.549 30 20 GBED C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797740401 HGTTZDLWRGCTGA-BNJZYBFZSA-N 393.488 -0.441 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2 1799393282 WXRBXEWFTOLGEU-JFILPPLUSA-N 391.428 -0.226 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ncccc2[nH]1 1799895815 ZNXCZSVAPGGCTB-KSPBDQMDSA-N 382.376 -0.146 30 20 GBED Cn1nncc1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812875049 QOBUKHADIZANMD-GUYCJALGSA-N 382.380 -0.382 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CN)sc2C1 1817071260 JJDSLNLZAKWDSV-QWRGUYRKSA-N 395.485 -0.150 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4ncnn4C)CCO3)C2)C1 1833837734 LANFZSFMWWYTRH-GOSISDBHSA-N 375.429 -0.149 30 20 GBED C[C@@H](CS(C)(=O)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834756217 UZVRETVKQVKLKE-BBRMVZONSA-N 387.458 -0.963 30 20 GBED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834761051 QFWUCNANGDKYIX-KBXCAEBGSA-N 380.445 -0.339 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835426870 LFFIDINLPAVYMO-CXAGYDPISA-N 387.502 -0.515 30 20 GBED CC[S@@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1837239228 TVQSBYLHGCKPKV-XRHLQHRESA-N 397.497 -0.095 30 20 GBED C#CC(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1837918250 KQFWTYGFZLRPNG-UHFFFAOYSA-N 398.423 -0.337 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1839808916 KWTYIHLBRWJEEW-SFHVURJKSA-N 395.362 -0.053 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1840841674 NXRVKYAQMCPJNB-LJQANCHMSA-N 389.408 -0.024 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 55820089 XOQCDFGNQTVWJX-UHFFFAOYSA-N 396.407 -0.012 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CC)c(S(N)(=O)=O)c2)C1=O 264257308 OPTZFXAFQNMQQD-UHFFFAOYSA-N 394.409 -0.188 30 20 GBED O=C(C#Cc1ccc2c(c1)OCO2)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 268583097 TVGCTDXEXWVPFD-INIZCTEOSA-N 385.420 -0.184 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)CC1 268663505 IXHJJXVZRLURML-GOSISDBHSA-N 393.513 -0.299 30 20 GBED COC[C@@](C)(C#N)NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 269565790 GVRDZDYDDXNJAZ-BDJLRTHQSA-N 380.426 -0.268 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)C1=O 281449610 MYEAMXOGLCMXTQ-HNNXBMFYSA-N 398.423 -0.245 30 20 GBED CCCCn1c(=O)/c(=C/c2ccnn2C)s/c1=C(/C#N)C(=O)NCCOC 298289828 HBNQFZMNWTYTKS-OWMWEOKGSA-N 389.481 -0.291 30 20 GBED CO[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@H]2C#N)C1 349499175 DAHLTFGCFNGIMF-CHWSQXEVSA-N 397.544 -0.302 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCc2c1cnn2C 349565241 JBBSEMVZOOORAQ-WCQYABFASA-N 389.503 -0.062 30 20 GBED CC(C)(O)CNS(=O)(=O)CCCS(=O)(=O)Nc1ccc(C#N)cn1 349571170 FVJORJZTJUBUBO-UHFFFAOYSA-N 376.460 -0.225 30 20 GBED COc1ccc(CN2CC[C@@H](NS(=O)(=O)N3CCO[C@H](C#N)C3)C2=O)cc1 410125374 ZIDCTNFPTFMDMO-HZPDHXFCSA-N 394.453 -0.145 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCCC[C@H]3[C@@H](C)N)CC2)c1C#N 423697705 NJDYESJSFCVVQP-CJNGLKHVSA-N 387.488 -0.023 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(N)(=O)=O)o1 465266704 OCXKBQNEVRZWNK-JTQLQIEISA-N 376.398 -0.060 30 20 GBED C=CCNC(=O)CNC(=O)[C@@H]1CC(=O)C[C@H](C)[C@H]1C(=O)NCC(=O)NCC=C 468406799 BGOSMZZJMZLACB-DXCKQFNASA-N 392.456 -0.945 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(N3CCCCC3=O)CC2)C1=O 478363003 QXUAADOCQZVPIQ-UHFFFAOYSA-N 376.413 -0.033 30 20 GBED C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 484410249 MUGJSTPWDLYCEQ-IUODEOHRSA-N 384.396 -0.255 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1=O 520445906 UJFFRMXWFRSPMM-MCIONIFRSA-N 383.470 -0.733 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN(CCC)CC2)CC1 550495325 RKVWMPPBBRHVBY-UHFFFAOYSA-N 379.505 -0.577 30 20 GBED CC(C)Cn1c(N)c(C(=O)CN2CCN(C(=O)CC#N)CC2)c(O)nc1=O 572254506 QOXHZANYYMFJSQ-UHFFFAOYSA-N 376.417 -0.572 30 20 GBED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCn3c(O)nnc3C2)n1 582271671 IQXZPDIQCKBCMT-UHFFFAOYSA-N 379.340 -0.583 30 20 GBED N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)c(F)c1 591388843 JNLIOZYLMZKESP-OAHLLOKOSA-N 387.415 -0.264 30 20 GBED C[C@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)Nc1ncc(C#N)s1 594637552 UZZQUWHGVOGVNT-SECBINFHSA-N 377.473 0.368 30 20 GBED COC(=O)CN(CC#N)C(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1 609992475 DMTDYMQGUBCDDG-NSHDSACASA-N 396.425 -0.163 30 20 GBED CN(C)S(=O)(=O)N1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 611231649 JPDOMDLAPBWVPP-UHFFFAOYSA-N 390.462 -0.049 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CCc2c(C)nc3ncnn3c2C)CC1 729256904 LZBSEJWCFBIQRE-UHFFFAOYSA-N 397.483 -0.043 30 20 GBED C=CCOCC(=O)OCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 729765980 WVFBPRNVFRBVTO-UONOGXRCSA-N 375.443 -0.073 30 20 GBED CCNS(=O)(=O)CCNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 731644321 WBARXZFMDXJNBE-UHFFFAOYSA-N 388.471 -0.534 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)C[C@@H]2CCN(C(C)=O)C2)c1=O 754774277 LLDXTHKAQVITDP-HNNXBMFYSA-N 377.445 -0.699 30 20 GBED C=CCN(CC=C)C(=O)COC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 760935673 FTUDFKOPLBDTPN-UHFFFAOYSA-N 389.412 -0.432 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NC(=O)NCc2ccccc2)CC1 761031277 PQDPLEWUIWROIG-UHFFFAOYSA-N 393.469 -0.902 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2ccc3c(c2)OCO3)CC1 761037152 LWACTDHSGITZOI-UHFFFAOYSA-N 394.453 -0.883 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2cc(F)c(F)cc2F)c(=O)n(C)c1=O 771889294 ANHZCXZKSRVOHO-UHFFFAOYSA-N 376.316 -0.186 30 20 GBED Cn1c(=O)ccn(CC(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)c1=O 787065019 OQBBENICIZRJQL-CYBMUJFWSA-N 385.336 -0.520 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(C)(C)COC)CC2)c1=O 819894297 SKHIAIXOPDUZCP-UHFFFAOYSA-N 393.488 -0.456 30 20 GBED C=CCS(=O)(=O)CCNS(=O)(=O)c1cccc(F)c1-c1nn[nH]n1 823931825 GNJGSHMEOMWKMJ-UHFFFAOYSA-N 375.407 -0.115 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)CN2CCc3ccccc3C2=O)CC1 831574693 MSNJUXBFKXCEOB-UHFFFAOYSA-N 390.465 -0.703 30 20 GBED COc1ccc(CNC(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)cc1C#N 842179136 AXAMNPFIIUCRJB-INIZCTEOSA-N 399.451 -0.394 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)O)CC2=O)CC1)[C@H]1CCCO1 846334187 YFBCTKNGSCBSOH-AEGPPILISA-N 391.424 -0.793 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCc2c[nH]nc2C1 848958902 LRLMZKMNPVTPKM-UHFFFAOYSA-N 385.471 -0.724 30 20 GBED C#CCN(CC#CC)S(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 848960587 KTZWOTRDAJNTSZ-UHFFFAOYSA-N 397.482 -0.288 30 20 GBED C#CC[C@H](CO)NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 854546403 DVKCIHNMDGBSBF-MRXNPFEDSA-N 379.482 -0.053 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)C[C@H]2COc3ccccc3O2)CC1 881859724 BBNJZWSCQRDJSF-OAHLLOKOSA-N 393.465 -0.477 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 959693080 AWRWNNJUXPIAGW-OEUWWYETSA-N 392.456 -0.175 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C 994641561 FTNOUJYVPKZAFK-FPCVCCKLSA-N 391.472 -0.226 30 20 GBED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2cnc(C(N)=O)n2)[nH]1 997030039 QMJCKYDKXOGZJV-WXHSDQCUSA-N 382.384 -0.861 30 20 GBED C#CCN1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@@H]2COCCO2)CC1 1001452701 WTWUVLHSZZHALU-BDXSIMOUSA-N 375.469 -0.005 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1COC2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2 1068820767 DKIZCITVXRFCKG-TUVASFSCSA-N 375.425 -0.821 30 20 GBED N#CCNC(=O)CN1CC(OC2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 1105724774 RVIMHIBEJQNHOZ-OIISXLGYSA-N 376.457 -0.115 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1CC2(C1)CS(=O)(=O)C2 1110715088 OOBYWSDFRDCLDI-MCIONIFRSA-N 380.470 -0.828 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 1117338721 TZJAMRDIYWTSAC-SQNIBIBYSA-N 394.516 -0.394 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@]23CCC[C@H]2OCC3)C1 1194625289 KGMVPYIUVGGQCM-MMQJMDILSA-N 380.445 -0.881 30 20 GBED C=CCS(=O)(=O)CCNC(=O)CCc1c(C)nc(N2CCOCC2)nc1O 1320292336 PNGRQCNTHMPKTK-UHFFFAOYSA-N 398.485 -0.023 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCCNC(=O)C2CC2)CCN1Cc1ccccc1 1322524914 OBHJLQXUBKIUDW-QGZVFWFLSA-N 383.452 -0.135 30 20 GBED C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1323034946 OHRZPZSWCMBORW-LBPRGKRZSA-N 379.442 -0.849 30 20 GBED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NCCN1C(=O)CNC1=O 1323483911 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380.412 -0.122 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)NCCn3cc(C(=O)O)nn3)CC2)c1C#N 1600772849 YYBXTQSPCKTOSU-UHFFFAOYSA-N 387.404 -0.578 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 1602882512 LOEAWFXKNQCZCO-XYPYZODXSA-N 382.388 -0.337 30 20 GBED CN(C[C@H](O)CN(C)c1ccnc(C#N)n1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1604720531 TUAUPFNRPBJOSJ-LLVKDONJSA-N 382.388 -0.574 30 20 GBED N#CCNC(=O)CNS(=O)(=O)c1ccc(Br)cc1CC(=O)O 1608187756 DRKSHAZLJHYPHP-UHFFFAOYSA-N 390.215 -0.006 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2ccc(-c3nn[nH]n3)cc2)C1=O 1609057455 UGMVHROYKPNQNL-UHFFFAOYSA-N 383.368 -0.198 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](C(=O)O)C3)C2=O)cc1 1610627587 CBOXBNYZMBRYCZ-HUUCEWRRSA-N 384.392 -0.292 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCC1 1751235594 NMDYNQDGARVLJP-VXGBXAGGSA-N 384.462 -0.468 30 20 GBED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778358802 MVCFTSSDIOEHDS-LJQANCHMSA-N 378.473 -0.444 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010008 DVSIPQMTCQJZTE-VEVIJQCQSA-N 394.428 -0.965 30 20 GBED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nc(N)n[nH]1)C2 1792632413 VTASUHSABXHKJC-GNXNZQSNSA-N 375.433 -0.541 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnc1 1794868291 PSMKNZLPOMRHHN-SCAQPMJSSA-N 388.472 -0.245 30 20 GBED CN1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)CC1 1797233858 JRSOJVKKRBKCMR-SCAQPMJSSA-N 377.489 -0.627 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCOCC2)C3)c1 1798694068 XCRKDXVLOBKVFX-JLVBRIDZSA-N 387.440 -0.578 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2 1799307059 ZDPFJBFEJSLCGH-VWPFQQQWSA-N 393.440 -0.779 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCC1)CCO2 1829867579 WKQVEHGUGMFBID-FQEVSTJZSA-N 375.469 -0.048 30 20 GBED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(C)C)CCO2 1834937121 TUZHPUDGMWVUSG-LJQANCHMSA-N 383.489 -0.013 30 20 GBED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1837641053 DQSOGEXFFKTPJB-MAUKXSAKSA-N 390.444 -0.326 30 20 GBED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)n1ccnn1 1839705452 HPENPIQZLUCUPT-HNAYVOBHSA-N 387.440 -0.291 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1840479869 JHLNKINWHIXZAD-HUBLWGQQSA-N 384.462 -0.991 30 20 GBED O=C(C#CC1(O)CCCCC1)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846460385 IBBOTBBOVJJJFQ-UHFFFAOYSA-N 399.447 -0.187 30 20 GBED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)NCCC#N)[C@@H](C)O)cc1C 9083980 OJCUCXWTNROSFE-CZUORRHYSA-N 397.453 -0.096 30 20 GBED CO/N=C/c1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 264210148 SRKYPUIXQJQTCC-DTEALPLXSA-N 381.454 -0.106 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)C1=O 265495339 WTLLYMIYAIWDGL-UHFFFAOYSA-N 399.407 -0.589 30 20 GBED CC(C)NS(=O)(=O)CCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 299331799 CNNMVFMKHQVRSE-UHFFFAOYSA-N 387.483 -0.083 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(/C(O)=N/[C@@H]3CSC3(C)C)CC2)CC1 328758855 WHMQPVVCCTWIEV-CYBMUJFWSA-N 391.563 -0.096 30 20 GBED CN(C1(CO)CC1)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 349482710 PVNBCSQSMZIDNA-LBPRGKRZSA-N 397.544 -0.566 30 20 GBED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CSCC#N)CC2)C[C@@H](C)O1 408044308 UJGUYZDTNOREOJ-BETUJISGSA-N 376.504 -0.259 30 20 GBED COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 468664939 DQIQFOIZBMDUDK-AWEZNQCLSA-N 393.421 -0.122 30 20 GBED N#C[C@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 471245766 WSCIQSHYDJDDMB-AWEZNQCLSA-N 396.444 -0.117 30 20 GBED C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 490773981 UMBMCFNUOCNUML-CQSZACIVSA-N 397.439 -0.027 30 20 GBED N#Cc1ccc(NCC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 502715457 JDAMRFNLPXBNAX-HOTGVXAUSA-N 378.454 -0.416 30 20 GBED C=CCN(CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 533065225 GHKXFWABNYLETD-UONOGXRCSA-N 378.516 -0.303 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1C1CC1 549934770 GHHXDUNMEYSDJR-UHFFFAOYSA-N 387.465 -0.273 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC2(C(N)=O)CCOCC2)cc1 568920267 YSGHSDHIZRBIKX-UHFFFAOYSA-N 380.426 -0.765 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)CCC(C)(C)C#N 580637595 BOVDCQCYPVQTDO-GFCCVEGCSA-N 375.447 -0.364 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 598025897 CXZWTTHZDVWTFJ-KGLIPLIRSA-N 386.451 -0.599 30 20 GBED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CC(N)=O 608912098 OLZBSJGWTKDAQE-UHFFFAOYSA-N 384.461 -0.186 30 20 GBED N#C[C@]1(F)CCN(CC(=O)N2CCN(C(=O)CN3CC[C@](F)(C#N)C3)CC2)C1 615646760 QRWZNIALTOEHRS-HDICACEKSA-N 394.426 -0.468 30 20 GBED COCC[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(N)=O 775975681 JRGIKRCTIWGZAF-LBPRGKRZSA-N 382.442 -0.488 30 20 GBED Cn1cc(S(=O)(=O)NN=C2COc3cccc(Cl)c32)c(=O)n(C)c1=O 814883439 NPDDCOIYWZSZTA-UHFFFAOYSA-N 384.801 -0.188 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)CC1 831585419 USRNBJULVQFANM-DLBZAZTESA-N 383.470 -0.280 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](O)C2)cc1 848821126 GDWHZWABYRQYRP-ZDUSSCGKSA-N 383.451 -0.411 30 20 GBED CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCCNC(=O)C1 848959364 HEDUHXOUWOJQKJ-AWEZNQCLSA-N 392.503 -0.860 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN(CC(=C)C)CC2)CC1 892850011 CXKAJMXEASLROG-UHFFFAOYSA-N 383.518 -0.178 30 20 GBED C=CCn1cc(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)nn1 950053432 WKFJLXDPNNQLFD-KNCOVGOOSA-N 375.429 -0.154 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2ccncn2)C1 990933558 CIOKHHWGXUWQTJ-OJLVUWQFSA-N 383.412 -0.159 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ncn(C)c1=O 1003090627 XDUXZCZWFIIZOV-NMNMXBMNSA-N 389.456 -0.189 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)Cc1ccc(S(=O)(=O)CCO)cc1 1116838308 CYKIWYJAXMTICM-LBPRGKRZSA-N 398.437 -0.061 30 20 GBED COC(=O)C[C@@H](C)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1137250626 ZTFQHGMOISTXFT-GFCCVEGCSA-N 377.401 -0.694 30 20 GBED N#CCNC(=O)CN1CC=C(CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1160754438 KBPGZWMVLFMLPQ-XYJFISCASA-N 376.457 -0.184 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 1220377678 JXRHIKGVWKJEQF-ANQUJSFKSA-N 388.472 -0.553 30 20 GBED CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1293113846 PCGHPEBQWBHMMC-PBHICJAKSA-N 394.501 -0.433 30 20 GBED N#CCSCC(=O)NCCC(=O)N1CCN(C(=O)CSCC#N)CC1 1319902599 CJDLGPYNCYEDON-UHFFFAOYSA-N 383.499 -0.323 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CN(C)CCN1C 1320045469 REWAEOQFYMRANL-OAHLLOKOSA-N 389.456 -0.116 30 20 GBED N#Cc1ccc(N2C[C@@H](C(=O)NCC3(O)CCS(=O)(=O)CC3)CC2=O)cc1 1324976785 NZJCCCZIKGMJTJ-AWEZNQCLSA-N 391.449 -0.033 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O 1329268105 XOAMWJKIQXEQSJ-OAHLLOKOSA-N 393.465 -0.066 30 20 GBED C=CCn1c([C@@H]2CC=NO2)nnc1N1CCN(CC(=O)NCCOC)CC1 1351818361 GISZNLGOGIKZHE-AWEZNQCLSA-N 377.449 -0.204 30 20 GBED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCN(C)C1 1541803579 JPEQSMOHODSKKH-JKIFEVAISA-N 396.517 -0.015 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@@H]2O)cc1 1573290282 ISKXKXHXSSDTHQ-CABCVRRESA-N 376.380 -0.383 30 20 GBED C=C(Br)CN1CC(O)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573291863 KWXFHUJAWSEMNE-UHFFFAOYSA-N 382.222 -0.120 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN[C@H]3CS(=O)(=O)C[C@H]32)c(Cl)c1 1580072412 RAKMBQOYJLKASS-NWDGAFQWSA-N 375.859 -0.029 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@H]2OC)nc1 1588370311 ZGBNWISNSQRYTB-HUUCEWRRSA-N 391.395 -0.333 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(CC(=O)O)cc2)CC1 1588485411 NOJSQLBHHQALIQ-UHFFFAOYSA-N 380.426 -0.069 30 20 GBED C=CCn1cc(C(=O)N(C)CCN(C)c2nc(C)cc(-c3nn[nH]n3)n2)nn1 1588711578 SGZKRXBUNLXXLW-UHFFFAOYSA-N 383.420 -0.049 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CC(O)(CC#N)C1 1603675062 DENCWJHUTDFZSF-JTQLQIEISA-N 391.413 -0.980 30 20 GBED COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NC1CCN(CC#N)CC1 1605246470 FRCHTYOTDILKBC-UHFFFAOYSA-N 384.400 -0.082 30 20 GBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780937089 DROZVAYJFRRGAU-GOSISDBHSA-N 388.449 -0.645 30 20 GBED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781422370 YKFGVDRMGAZLKR-AGKWGAAGSA-N 389.460 -0.420 30 20 GBED C#CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782753729 NGLKJYRYIJGBMX-IBGZPJMESA-N 393.440 -0.447 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)C[C@@H]21 1788575817 HPKKYXLNNXHHMD-QRJUGERDSA-N 393.484 -0.325 30 20 GBED CN1CCC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)C1 1791079002 ROAWEEBBIBWUQS-VGWMRTNUSA-N 377.441 -0.604 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CC(O)C1 1792888599 RARWVDOXWZLFMS-BVTILMFLSA-N 377.441 -0.795 30 20 GBED N[C@@H](Cc1cccnc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793259124 KUBMAIFQLKEOPR-DMUMMCEESA-N 382.464 -0.046 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)n(C)n1)C2 1793344605 JJCYAZCQPORAAM-ZJOBFFGXSA-N 390.440 -0.330 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1O 1794356214 OWLOZTMVUTYMDS-ZJOBFFGXSA-N 389.408 -0.673 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccc2nc[nH]c12 1796241454 UQNXXVDJPMVNIZ-QHBPRCKVSA-N 383.364 -0.751 30 20 GBED N#CC1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CC[C@@H](N)C(N)=O)CC3)CC1 1814468524 YPXVUHYKVYWTIM-NXEZZACHSA-N 390.469 -0.048 30 20 GBED Cn1ncnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830054313 LLZNKMQVFZZMKG-KRWDZBQOSA-N 376.417 -0.565 30 20 GBED Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)no1 1832930723 NUPFVCGPOBWQCP-MEDUHNTESA-N 384.458 -0.305 30 20 GBED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=N)N)CC2)CC1 1833464402 GVODBRYJQAEOPY-AWEZNQCLSA-N 392.504 -0.921 30 20 GBED Cn1ncnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1833844452 VSZKEXHGLCWOMS-SFHVURJKSA-N 399.411 -0.601 30 20 GBED Cn1cccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1833912407 YOSKJKBHKKETNM-GOSISDBHSA-N 375.381 -0.817 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1835713454 XVHFTYYRYREGEZ-DLBZAZTESA-N 395.548 -0.583 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836165875 FVRUMPWOYIFFHL-VQIMIIECSA-N 390.440 -0.622 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836844120 ASHMSMFLBYSGBF-SFHVURJKSA-N 384.396 -0.287 30 20 GBED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1837641419 NYPMHBPXKUZPTK-YOEHRIQHSA-N 376.417 -0.716 30 20 GBED Cc1nc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)o1 1838007703 PLIMZCJGKYVBEP-SFHVURJKSA-N 391.380 -0.551 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839719273 NSKULKCLDFBKLW-GOSISDBHSA-N 375.429 -0.042 30 20 GBED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C(F)(F)F 1840044264 ARQQFRURQZUVLH-HNNXBMFYSA-N 390.314 -0.351 30 20 GBED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840159048 VSWYJDPDOBNKQZ-SSDWJNDTSA-N 386.470 -0.120 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 10453570 KCWOYESFNSWYAJ-CQSZACIVSA-N 397.478 -0.174 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1=O 45555839 QCGBKNPZFCOVPD-UHFFFAOYSA-N 387.352 -0.401 30 20 GBED C/N=C(/NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1CCc2nc(C)nn2C1 261708837 VCGZMVLMKWVJLY-CQSZACIVSA-N 383.522 -0.262 30 20 GBED N#C[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)N2CCO[C@H](C#N)C2)CCO1 266295782 BRXJKMZWFLCIAH-NXEZZACHSA-N 378.282 -0.241 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCc1cnn(CCOC)c1)c1cc[nH]n1 282841213 RIDZNJIVOQMMHC-RCCKNPSSSA-N 378.389 -0.147 30 20 GBED COC(=O)c1cn(CC/N=C2/NC[C@H]3CN(C(=O)OC(C)(C)C)CCN23)nn1 283986505 LSTAWAUVCKSLSW-LBPRGKRZSA-N 393.448 -0.055 30 20 GBED Cn1c(N)c(C(=O)CN2CCN(Cc3ccc(C#N)cc3)CC2)c(=O)n(C)c1=O 298761774 YKKRCOIWIGEJSI-UHFFFAOYSA-N 396.451 -0.462 30 20 GBED CC(C)N1CC[C@H](N/C(O)=N/CCS(=O)(=O)N2CCSCC2)C1=O 329690915 BSPOWOGYYKHMPE-LBPRGKRZSA-N 378.520 -0.122 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 349516506 DGABOXVNHITQJN-NSHDSACASA-N 388.475 -0.013 30 20 GBED C[C@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 349576190 QSGCPIPXJXPAQW-NEPJUHHUSA-N 380.517 -0.274 30 20 GBED CC#CCN(C)S(=O)(=O)CCCCS(=O)(=O)N=c1nc(C)[nH]n1C 349605871 IBWKFEHNTGTOTD-UHFFFAOYSA-N 377.492 -0.648 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)C1=O 366745040 QUSIMGFLNVOYKA-OCCSQVGLSA-N 388.424 -0.035 30 20 GBED COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 371533333 GGEYQFYTGSEOBQ-AAEUAGOBSA-N 395.437 -0.096 30 20 GBED CNC(=O)N[C@H]1CCN(C(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 410659488 DCOAKKQVVXGILY-AWEZNQCLSA-N 385.428 -0.868 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCC(=O)N(C)C1=O 425097001 XVJVGZQZGYXNOZ-ZWNOBZJWSA-N 378.410 -0.511 30 20 GBED Cn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(C#N)o2)c1=O 440379069 XSQJYDHQVWOARJ-ZDUSSCGKSA-N 384.417 -0.290 30 20 GBED C=CCOCCCC(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 463691712 YXQDBOFXTIOOLB-OAHLLOKOSA-N 387.502 -0.583 30 20 GBED N#CC1(NS(=O)(=O)c2cccc(S(=O)(=O)NC[C@@H](O)C(F)F)c2)CC1 567915940 COSJKEZBAFVFII-LLVKDONJSA-N 395.409 -0.075 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(C(C)(C)C(=O)OC)c2)C1=O 595023651 XNXPCAVGAMRPDS-CYBMUJFWSA-N 391.428 -0.025 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CC[C@@H](O)C1 600070591 NBHKGHDWLHPQAA-CQSZACIVSA-N 376.413 -0.295 30 20 GBED CC(C)[C@H](CNC(=O)C(=O)N1CCN(CCC#N)CC1)N1CCN(C)CC1 602230419 MLICOKSQHHUVSB-KRWDZBQOSA-N 378.521 -0.568 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)N(CC)C[C@H](C)C#N)CC1 800000384 CSWHSLVUQWKWCZ-CQSZACIVSA-N 395.551 -0.083 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 857706184 UVQSXIZSNIXGMB-NSHDSACASA-N 384.410 -0.337 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(C)cc2=O)C[C@@H]1O 964490577 WGBAMISYGFRTFT-DHXZDTOLSA-N 389.452 -0.024 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C[C@@H]2NC(=O)NC2=O)nc1 1003669527 VMYULUPPYJKOIW-RZFFKMDDSA-N 381.392 -0.477 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)o2)C1 1023531217 GKHVDMUNKHITQT-VLXAULBPSA-N 379.413 -0.349 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(CCOC)no2)C[C@@H]1O 1083470159 BXXMTKXBMDDCRK-KBXIAJHMSA-N 380.445 -0.099 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccnc2nc(C)nn12 1109971961 QXIZYSYJONABEV-RZFFKMDDSA-N 381.440 -0.094 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 1118478049 SSAKQSMVSJOOOZ-UHFFFAOYSA-N 388.424 -0.319 30 20 GBED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2C[C@@H](CO)[C@H](CO)C2)n1 1118934991 MAZVSRLVWYFYKY-RYUDHWBXSA-N 387.371 -0.119 30 20 GBED C=CCn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@@](C)(O)COC 1121576104 GBXOADXLTXDNNG-SFHVURJKSA-N 380.493 -0.035 30 20 GBED CCS(=O)(=O)N(C)CCCNC(=O)C(=O)Nc1cc(C)nn1CCC#N 1319962138 ZKYPYSREYWCGHG-UHFFFAOYSA-N 384.462 -0.169 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)CCO1 1321577720 IFLMAJZLLZUFKM-SFHVURJKSA-N 385.468 -0.329 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 1322897536 CDXZCGDSUZCYQT-CHWSQXEVSA-N 397.439 -0.735 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 1323026561 LGYDCCLMUAJNFV-UHFFFAOYSA-N 393.465 -0.324 30 20 GBED CCCN1CCC(N(C)C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1323421104 OADHIFIYNVGHMA-WUKNDPDISA-N 391.472 -0.038 30 20 GBED CC(C)N1CCC(N2CCN(C(=O)C(=O)N3CC[C@](O)(CC#N)C3)CC2)CC1 1332371125 BFFAMOFKVZYBSC-HXUWFJFHSA-N 391.516 -0.120 30 20 GBED CNS(=O)(=O)c1ccc(CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 1337846478 NNTVFLDLRBKPJQ-WUKNDPDISA-N 392.437 -0.220 30 20 GBED CN1CCN(C[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)c2ccccc2)CC1 1443159321 KITAQSWLQKGRFP-QGZVFWFLSA-N 396.451 -0.075 30 20 GBED C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1NCC[C@@H]1C 1574614984 PZCIUUQUDYVVOS-KKUMJFAQSA-N 396.517 -0.322 30 20 GBED C#CCN1CCC[C@H]1C(=O)NCCN(C(=O)[C@@H](C)OCc1cnn[nH]1)C1CC1 1574985519 FJPHOXJKYOHRDM-PBHICJAKSA-N 388.472 -0.085 30 20 GBED C#CC1CCN(C(=O)C(=O)N2CCN(c3cnccc3-c3nn[nH]n3)CC2)CC1 1588332141 GTPFKHRFLUBEED-UHFFFAOYSA-N 394.439 -0.218 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 1588352478 LYUQNVJSVLLVSF-KBPBESRZSA-N 381.444 -0.209 30 20 GBED C#CCNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C(C)(C)C1 1588352922 AKGKRWSZIQSVBO-BXUZGUMPSA-N 384.444 -0.227 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1CC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588658561 PVPXPMPRRCQETB-SECBINFHSA-N 387.404 -0.991 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)O)C2)C1 1603130058 QHHRHDLYUWNDGD-JJMZSNKZSA-N 393.487 -0.277 30 20 GBED COC[C@]1(C(=O)O)CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 1604551981 ZIICVLJMALZGGY-INIZCTEOSA-N 397.409 -0.835 30 20 GBED COC(=O)[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C[C@H]1C(=O)O 1606425608 LRHXQYRRXTWSBE-RBSFLKMASA-N 380.445 -0.516 30 20 GBED CNS(=O)(=O)CCn1c(C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1711418662 XJSWROBROIWKNT-UHFFFAOYSA-N 390.473 -0.271 30 20 GBED CN1CC[C@](O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)C1 1729597914 SKPRGKCSRFNIAE-IIYDPXPESA-N 375.433 -0.975 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3c(F)cncc3F)C2)C1 1779732687 QHOYUKLPPNGTKN-QGZVFWFLSA-N 379.319 -0.109 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncccn3)C[C@@H]21 1783530027 ABZHIXWBABMDPI-PVPAMPSESA-N 399.451 -0.072 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)C[C@@H]21 1784504237 FRPRIQDLILUTCL-QMHWVQJVSA-N 379.457 -0.307 30 20 GBED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)S)C[C@@H]21 1788476529 YSMGUCWIOAJVNL-CUOUOBHDSA-N 389.474 -0.651 30 20 GBED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1789958800 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O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1snnc1C1CC1)C2 1800778357 OPGREQFXZBCWGG-GNXNZQSNSA-N 390.421 -0.293 30 20 GBED C[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2 1802288587 ACJVBYPVVYUNMW-DOLQZWNJSA-N 377.430 -0.617 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1831421972 XLRUDRKPDYHRCG-KXBFYZLASA-N 398.456 -0.013 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833840481 WSYHLGDVDJWYGX-KDOFPFPSSA-N 393.444 -0.524 30 20 GBED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cn1 1834524254 HJYQFDDLVKGWHP-KRWDZBQOSA-N 375.385 -0.531 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837799014 MFMWFNKARWXMCH-MRXNPFEDSA-N 379.373 -0.036 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC=CCC1)CCO2 1839129526 ACPJXFVZKMTFAB-KXBFYZLASA-N 376.409 -0.113 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840233557 VGNAYCXIABNIBG-AHIWAGSCSA-N 385.486 -0.713 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)CC)C2)C1 1840840538 DNKBQOOJZDUMDZ-HNAYVOBHSA-N 379.457 -0.229 30 20 GBED N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)CNC(=N)N)C4)c2c1 1845581488 VSMQXPDORPGIOI-UHFFFAOYSA-N 380.412 -0.265 30 20 GBED N#Cc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](O)N2CCOCC2)cc1 1847308471 OZMDUKCLUVVSFY-BJLQDIEVSA-N 398.463 -0.047 30 20 GBED N#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 66497244 OCJCWZCPEAWCNG-UHFFFAOYSA-N 394.453 -0.206 30 20 GBED C/N=C(/NC[C@@H]1CN2CCN1CC2)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 261656036 ADVUUJZUWXPILA-QZTJIDSGSA-N 391.564 -0.810 30 20 GBED COCCN(CC(=O)N(C)C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 268784067 DFHSCVXICPCCAQ-CYBMUJFWSA-N 396.469 -0.212 30 20 GBED C#CCOc1ccccc1NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1 276062395 NNDQEZRLZYEVIR-HNNXBMFYSA-N 375.425 -0.211 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 281827953 UZUYZNSLKUMORE-QWRGUYRKSA-N 381.501 -0.191 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(C(=O)OCC)CC2)C1=O 283505649 PUUQDSLNNXVUDQ-CQSZACIVSA-N 380.445 -0.031 30 20 GBED COC(=O)C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 290267372 BNBPHYJTCNEGCX-ZDUSSCGKSA-N 381.410 -0.373 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)C1=O 297931584 SFVSHPJTIOJALM-LSDHHAIUSA-N 380.489 -0.465 30 20 GBED C[C@H]1[C@@H](C)N(S(=O)(=O)CCCCS(=O)(=O)N(C)CC#N)CCN1C 349620590 PZFXGHIKKJHSIQ-UONOGXRCSA-N 380.536 -0.094 30 20 GBED COCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(CCC#N)CCOC 409530702 RREMNMLSJDBWAV-CQSZACIVSA-N 397.519 -0.381 30 20 GBED C=CCOc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)c1 424439032 MWZCZRLWLWGTDJ-CYBMUJFWSA-N 382.394 -0.100 30 20 GBED CN(CC#N)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 429670639 LEIGRJGZNJEJOY-LBPRGKRZSA-N 396.425 -0.648 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cncnc3N(C)C)CC2)c1C#N 472870124 OPSRHZTZYMIPDK-UHFFFAOYSA-N 397.443 -0.257 30 20 GBED COC(=O)CN(CC#N)C(=O)[C@H]1C[C@H](C)C[C@H]1C(=O)N(CC#N)CC(=O)OC 481799666 XPSGILWFIMXIDZ-ZSOGYDGISA-N 392.412 -0.301 30 20 GBED C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N(C)CCCc1[nH]nc(N)c1C#N 534099497 OWYGOTVFXTZHBM-VXGBXAGGSA-N 382.490 -0.238 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)NCCCN(C)S(C)(=O)=O 534834774 VKDDKSOSNUYIKM-UHFFFAOYSA-N 385.494 -0.874 30 20 GBED COC(=O)CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 544618375 NOARUVVYSGYSJF-UHFFFAOYSA-N 387.439 -0.185 30 20 GBED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCC(=O)NCC#N)CC2)c1 553644733 ALTUFOHAUNFHAV-UHFFFAOYSA-N 393.469 -0.797 30 20 GBED CN(C)CCOCCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 570997135 DCVMKNOETUWYGY-SFHVURJKSA-N 387.484 -0.083 30 20 GBED C#CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 746260412 YUHFXQCGUJBEKZ-UHFFFAOYSA-N 393.465 -0.081 30 20 GBED C#CCN1CCN(C(=O)CN2CCC(C(=O)NCC(=O)OCC)CC2)CC1 749462438 CUUREODLOKEKOL-UHFFFAOYSA-N 378.473 -0.845 30 20 GBED CCOc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1OC 771889517 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388.413 -0.930 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 1588404610 JFXZSIFNKDUCNZ-STQMWFEESA-N 385.432 -0.178 30 20 GBED C=C[C@@](C)(O)CC(=O)N1C[C@H]2[C@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H]2C1 1588500089 QOAWQMRALRKPAW-FEIHFNIMSA-N 385.428 -0.044 30 20 GBED CC(C)(C)C#CC(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1589068814 XHFFATFVURNJCY-UHFFFAOYSA-N 385.428 -0.063 30 20 GBED N#CCSCC(=O)N1C[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2C1 1592678958 ASYKUJSOGKMGAK-TXEJJXNPSA-N 386.441 -0.018 30 20 GBED COC[C@]1(C(=O)O)CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 1593976245 VUGZGSRMOKHOEB-INIZCTEOSA-N 397.409 -0.835 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCO1 1602886369 QPQAHKGGXVEULJ-BZPMIXESSA-N 386.416 -0.431 30 20 GBED C#CCOCCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1 1757002408 MIJXHBMXDSYTGV-MTNOOBJLSA-N 387.436 -0.113 30 20 GBED O=C(C#Cc1ccccc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781045798 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C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)NCC)C2 1793344134 IMMITUZYJQBVKW-NPJQDHAYSA-N 394.472 -0.678 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCC)NC(C)=O)C2 1793349785 JIKORRANVNILKB-FWEDZOCSSA-N 393.484 -0.081 30 20 GBED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)NC(=O)OCC)C2 1793568468 IJCJFHOQIOPXMS-SSZWKKLZSA-N 381.429 -0.273 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(=O)OCCO 1798568108 WPGZRRPIHPEYKR-ZSBFGKGUSA-N 386.404 -0.328 30 20 GBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)nn1 1800208424 JARORBUIRGWDLN-YYHMBLRTSA-N 382.442 -0.531 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nc3ncccc13)C2 1800776131 TXIVTCFGBOAMOD-QHBPRCKVSA-N 383.364 -0.751 30 20 GBED C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800980300 DZIWEQGTSZWVPY-NJMOYASZSA-N 378.516 -0.425 30 20 GBED COC(=O)NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822203576 FDLUJIPPYULYIN-NSHDSACASA-N 377.357 -0.154 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)C1 1829673270 IGTMZEZEVPSQIN-QRWLVFNGSA-N 391.468 -0.065 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1831485666 IFQOZCLXCAXTDS-CXAGYDPISA-N 397.501 -0.161 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1831487812 SCUHGRIOBDPCPH-GDBMZVCRSA-N 398.489 -0.916 30 20 GBED CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1834778163 TYLPRDOYRNJNPC-SSDWJNDTSA-N 386.470 -0.120 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCn4cncn4)C3)C2)CC1 1835347726 DWMDYIMLLDOMIR-SFHVURJKSA-N 388.428 -0.572 30 20 GBED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839212645 FYBOEQWEYYHKPE-JXFKEZNVSA-N 389.452 -0.523 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839235461 WGVVPRPDUVOSQL-RDJZCZTQSA-N 397.501 -0.311 30 20 GBED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839876966 FERDBRDEQZQGKL-FZKQIMNGSA-N 378.429 -0.729 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NC(C)=O)C2)C1 1840840704 IPTIMBCATDSQLN-LJQANCHMSA-N 379.457 -0.229 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1847814093 HDLPNYYQYMBXKQ-JYJNAYRXSA-N 399.513 -0.490 30 20 GBED N#C[C@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)N2CCO[C@@H](C#N)C2)CCO1 266295783 BRXJKMZWFLCIAH-UWVGGRQHSA-N 378.282 -0.241 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1 281557181 LHKGRNATDGEEKA-UHFFFAOYSA-N 378.454 -0.769 30 20 GBED COC(=O)CN(CCN1CCOCC1)CCS(=O)(=O)c1ccc(C#N)cn1 289855179 BIYWGVHLDDFBFZ-UHFFFAOYSA-N 396.469 -0.466 30 20 GBED N#Cc1cncc(S(=O)(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1 290578640 VLRQWSCOPFTFIR-UHFFFAOYSA-N 376.398 -0.191 30 20 GBED O=C(Cn1cc(N=C(O)N2CC[C@H](N3CCOCC3)C2)cn1)N1CCOCC1 330005782 CFQJLISPBTZRQA-INIZCTEOSA-N 392.460 -0.306 30 20 GBED CN(C)S(=O)(=O)c1cccc(/C(O)=N/CC(=O)N2CCOC[C@@H]2C#N)c1 331033219 WNJBYEALMSTDRK-ZDUSSCGKSA-N 380.426 -0.008 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)CC[S@](=O)C1 349456259 IMWRXZQBHOVNFJ-IPQOISQHSA-N 397.544 -0.618 30 20 GBED N#C[C@@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccnnc2)C1 349485723 AZHHAFKUVKWHRP-LBPRGKRZSA-N 377.423 -0.124 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@](C)(C(N)=O)C1 349490912 HGQUKURXUAXEDM-WCQYABFASA-N 380.492 -0.923 30 20 GBED C=C(C)CN(C)C(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 410700472 KGYBJZZYSOWYDK-UHFFFAOYSA-N 388.472 -0.004 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[S@](=O)[C@@H](C)C1 460711423 XUFGQKYKNVTIME-BIXPNRAVSA-N 386.437 0.365 30 20 GBED C=CCN1CC[C@H](N(C)CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1=O 532476176 ILYVEHLIFPWNMS-HOTGVXAUSA-N 398.529 -0.964 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)OCC)C2CCOCC2)C1=O 534019194 JNBKKXKJLNCCKW-ZDUSSCGKSA-N 381.385 -0.562 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCN3CCNC(=O)C3)C2=O)cc1 542834427 LSHXKJLJFUUQRR-MRXNPFEDSA-N 384.440 -0.215 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC3[C@H]4CNC[C@H]34)CC2)cc1 591361410 BCJSHLQQVOQOPM-GJZGRUSLSA-N 375.454 -0.208 30 20 GBED N#CCN1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 594294779 XGKDVJXNABMXPG-HOCLYGCPSA-N 396.444 -0.383 30 20 GBED CN(CCN1CCOCC1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 727106398 WVPCITWACBAJGF-UHFFFAOYSA-N 380.470 -0.094 30 20 GBED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)CC1 735380151 CWZLYULVJWNESU-UHFFFAOYSA-N 375.414 -0.588 30 20 GBED C[C@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(CN2CCOC[C@@H]2C#N)C1=O 736224670 UQISNXYQAXNMIR-SUMWQHHRSA-N 382.384 -0.184 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CC1 747993398 JXWSUOIQLUDUMT-UHFFFAOYSA-N 396.403 -0.161 30 20 GBED COC(=O)C[C@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 752748962 NRIMLSITTRXFMM-LBPRGKRZSA-N 395.437 -0.094 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2nc3ccccc3n2C)c(=O)n(C)c1=O 755806110 XUNIBMGRHUAABE-UHFFFAOYSA-N 376.398 -0.717 30 20 GBED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 783494619 FUIDIORLZDZUDS-CHWSQXEVSA-N 376.417 -0.265 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](O)Cc2cccc(OC)c2)CC1 831568721 QAMKCLDXTWVVMJ-MRXNPFEDSA-N 381.454 -0.790 30 20 GBED C[C@@H](CC(=O)NCC(=O)N1CCNCC1)/N=C1/NS(=O)(=O)c2ccccc21 832409333 GRCIFJCOZCMLLR-LBPRGKRZSA-N 393.469 -0.948 30 20 GBED C#CC[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C(=O)OC 841540621 NIMJODVPTWDLRB-AWEZNQCLSA-N 386.451 -0.030 30 20 GBED CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NS(=O)(=O)CC(N)=O 847678911 JJMNOYHFUKBUDI-SNVBAGLBSA-N 376.435 -0.105 30 20 GBED C#CC1(O)CN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 890519683 QWDDKRVARPCSEG-JSGCOSHPSA-N 384.841 -0.330 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1OC 946819101 YSAYNDJLQKKKQJ-WCXIOVBPSA-N 381.473 -0.358 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@H]1OC 946819560 CWHAHMLUYWWMKJ-APIJFGDWSA-N 386.412 -0.329 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCn2ccccc2=O)C[C@@H]1O 964615125 HSZJZDNJLOADBA-NCOADZHNSA-N 389.452 -0.093 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2c(C)nnn2CC)C1 965822418 FKDZOWBNFJVTQZ-KBXIAJHMSA-N 377.445 -0.111 30 20 GBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@@H]1O 969418988 VCCQQXHNOGCTKV-XDNAFOTISA-N 383.448 -0.200 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)Cn3c(O)nnc3O)[C@H]2C1 976047402 RGAPRLDVUOORIY-CRWXNKLISA-N 391.428 -0.270 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2CCOCC2=O)[C@@H]1C 988305417 SHQYUAGROHYKHT-WCVJEAGWSA-N 379.457 -0.068 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C2CC(=O)NC(=O)C2)nc1 1004120078 GMDRNDFHESADOK-BMFZPTHFSA-N 380.404 -0.023 30 20 GBED O=C(Cn1ncn2nccc2c1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 1006537140 LIHXLRANSOICST-KFWWJZLASA-N 380.408 -0.448 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 1024643848 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CHELNTZKOXPSTL-OAHLLOKOSA-N 399.407 -0.704 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@]2(CN)C1 1328814335 RBEDXPIRUUKFKS-AVYPCKFXSA-N 397.483 -0.027 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1339920856 NQCBVBFBBKCTCU-CYBMUJFWSA-N 378.520 -0.483 30 20 GBED CCN(C(=O)Cn1c(=O)c(C#N)c(C)n(C2CC2)c1=O)[C@@H]1CCS(=O)(=O)C1 1459218686 PMCFXBCLBWVNLR-CYBMUJFWSA-N 394.453 -0.439 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CNc1cc(-c2nn[nH]n2)nc(CC)n1 1573310189 UPDYCCPYTLRDOA-MGPLVRAMSA-N 376.421 -0.565 30 20 GBED C#CCN1CCN(c2nnc([C@@H]3COCCN3)n2C[C@@H]2COCCO2)CC1 1574707492 UFTZNWGCLVCMPT-CVEARBPZSA-N 376.461 -0.890 30 20 GBED N#Cc1ccc(N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H](O)C2)nc1 1581871313 POONGCXHAYVIEE-GXTWGEPZSA-N 379.384 -0.169 30 20 GBED N#Cc1nc(N2CCN(c3ccc(C(N)=O)cn3)CC2)cnc1-c1nn[nH]n1 1581879319 GHKBDUQTJDZZRH-UHFFFAOYSA-N 377.372 -0.651 30 20 GBED C#CCN1CCC(C(=O)N[C@H]2CCN(c3nccnc3-c3nn[nH]n3)C2)CC1 1588352269 XNJNCIGQISHYBD-AWEZNQCLSA-N 381.444 -0.303 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[nH]n3)s2)C[C@H]1O 1588357024 IPNFHDWMRMFRRX-IWSPIJDZSA-N 397.848 -0.319 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588505301 PCFSKFQYXQFHAU-DLBZAZTESA-N 389.416 -0.785 30 20 GBED C=CCCO[C@@H](C)C(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[nH]n2)cn1 1588608752 PSKKCHNIEISKGJ-QWHCGFSZSA-N 388.432 -0.041 30 20 GBED C=CCn1cc(C(=O)N(CCO)CCNc2ccc(-c3nn[nH]n3)cn2)nn1 1588711642 VCAVRWDMITXFCA-UHFFFAOYSA-N 384.404 -0.414 30 20 GBED N#C[C@]1(NC(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CCSC1 1592670778 NXCRYFRRSCESTA-CQSZACIVSA-N 393.454 -0.340 30 20 GBED N#CCNC(=O)CN1[C@H]2CCC[C@H]1CN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 1592678444 XFSVRXBDUQJHGD-STQMWFEESA-N 383.416 -0.487 30 20 GBED CON(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC(=O)O)cc1 1599316874 YAVQPWVMPZWCIK-UHFFFAOYSA-N 377.400 -0.533 30 20 GBED C#CCN(CC(=O)O)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1602695675 PLPODENMEOTCGU-UHFFFAOYSA-N 395.437 -0.334 30 20 GBED N#CCSCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O 1606350958 IKTCSAFWHIVMRM-GHMZBOCLSA-N 379.471 -0.154 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CNC(=O)c2cccs2)C1 1757213412 XCMKQFJVUGCLFE-MQYQWHSLSA-N 393.465 -0.243 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CC[C@H](N)C(N)=O)CCO3)C2)cc1 1780696541 YLTYHHLUVRATAQ-OXJNMPFZSA-N 399.451 -0.405 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2ncc[nH]2)C1 1782413623 XIOHMQXCDRGFBV-AUUYWEPGSA-N 388.424 -0.056 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncc(Cl)cn3)[C@H]2C1 1785821953 ZVJFDUZXIBFYKF-DRZSPHRISA-N 392.799 -0.189 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(C)n3)C[C@@H]21 1788571236 CUCSOWLWLZRHHE-AJNGGQMLSA-N 391.472 -0.019 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)C(C)C)C2 1792484342 DQQUGXOHTLOATM-DWSOTWMNSA-N 379.457 -0.549 30 20 GBED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2 1795275092 SDPONUCFICBLMG-CLWJZODNSA-N 381.432 -0.094 30 20 GBED CC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797809997 JVCRHXVRKYODRW-LUVCIMKASA-N 383.445 -0.124 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(C)=O 1800512279 ZYLRUMHBNUZTEU-XOIINTDNSA-N 381.429 -0.779 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]nc3ccncc13)C2 1800776072 QYNAELOOUBAKCD-CULMDFNYSA-N 383.364 -0.751 30 20 GBED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@](C)(O)CC(=O)O 1801002293 ZMSNIQYFBWJPHB-TYYYEBLRSA-N 381.429 -0.258 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CNC(=N)N)[C@@H]1c1cccnc1 1803543931 OTKDMPUVERSHNI-UKPHBRMFSA-N 386.456 -0.391 30 20 GBED C[C@H](CS(C)(=O)=O)C(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1806048385 WGNRCQHIZBDAAX-CQSZACIVSA-N 398.481 -0.014 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1831435531 UGRCNRISMJFUSH-IIDMSEBBSA-N 383.445 -0.832 30 20 GBED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835258240 MVHUSEWBGIUJNK-PBHICJAKSA-N 388.486 -0.300 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835999764 NRXPZIBNWLGFSD-KDOFPFPSSA-N 395.481 -0.377 30 20 GBED CCC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839830644 XYYGFUDWCWOAJE-FUNKKEAFSA-N 394.472 -0.106 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]3C3CC3)C2)C1 1840040343 VPMSJZPVUHBTSL-ZRGWGRIASA-N 376.409 -0.423 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840156933 YLLHFAFIJFMCTR-SYCBYCMTSA-N 397.497 -0.381 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840449414 LFVQFHJYECVQIJ-XJKSGUPXSA-N 383.474 -0.557 30 20 GBED O=C(C/N=C/c1ccco1)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842874184 JWMWQZJXOATZCO-REZTVBANSA-N 398.356 -0.373 30 20 GBED O=C1CC[C@H](C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@H]3CCCCO3)C2)N1 1844299946 BIDVNGIRTQTSMX-PPWBVHDNSA-N 378.429 -0.003 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O 1848129687 HGAGDBONRIBVFX-AGIUHOORSA-N 390.444 -0.932 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 68328062 FPXYWPBDQBSKQE-OAGGEKHMSA-N 396.513 -0.286 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(C(=O)CCOC)CC2)C1=O 268976759 HEPAFIIBHSCXOX-UHFFFAOYSA-N 380.401 -0.893 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2COC3(CCOCC3)O2)cc1 290315656 DLSPDRJOXHKGFV-AWEZNQCLSA-N 395.437 -0.125 30 20 GBED C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCS(=O)(=O)C1 290434691 NHTMCXQRTRCJRB-GFCCVEGCSA-N 385.467 -0.270 30 20 GBED CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 293486340 SIZWICQRDMRTGC-IAGOWNOFSA-N 392.481 -0.148 30 20 GBED Cn1nccc1/C=c1\s/c(=C(\C#N)C(=O)NC[C@@H]2CCCO2)n(C2CC2)c1=O 298285028 FNXVYMYKXWNSIZ-CTPBBBROSA-N 399.476 -0.224 30 20 GBED N#C[C@@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(O)nn2)C1 349485750 BCOALHGAOGDQLM-LBPRGKRZSA-N 393.422 -0.419 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)CC1(C)C 349494009 BYFJQBQEIXQUIK-UHFFFAOYSA-N 380.536 -0.092 30 20 GBED CC(C)(O)CNS(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 349569012 AUDZPUDZDQEMIJ-NSHDSACASA-N 385.533 -0.662 30 20 GBED C[C@@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)Nc1ccc(=O)n(C)c1 349571673 FYPLNLPPJOAKFB-NSHDSACASA-N 376.460 -0.404 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCCC[C@@H]1NS(C)(=O)=O 409501179 LHETXBOOAWUNAM-STQMWFEESA-N 382.508 -0.457 30 20 GBED N#Cc1cccnc1N1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)CC1 410746589 JKPFKRODSNRKBD-SIRPWMCASA-N 381.436 -0.170 30 20 GBED C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 442529983 SXKWDCCIZSFALR-BBRMVZONSA-N 398.423 0.135 30 20 GBED CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C1 459917977 RDSGNZCLMGNDQT-OAHLLOKOSA-N 384.440 -0.263 30 20 GBED C[C@H](C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1)c1cccc(C#N)c1 462037714 JQMDZYPISDZYMI-IAOVAPTHSA-N 377.466 -0.036 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1 470245648 BKKHKUBTJQDXFN-JSGCOSHPSA-N 380.426 -0.359 30 20 GBED CN(CCC#N)S(=O)(=O)NCCN(C1CC1)S(=O)(=O)N(C)CCC#N 503223359 ZLSVZXNQDGSZIZ-UHFFFAOYSA-N 392.507 -0.779 30 20 GBED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)N(C)[C@H](C)CC#N 509269179 JNAMWMNGKOJTMX-CQSZACIVSA-N 375.495 -0.812 30 20 GBED C=CCNC(=O)CNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 538594581 DDENVKQDENHTEP-UHFFFAOYSA-N 382.442 -0.797 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCn3ccnc3C)CC2)c1C#N 557248610 DJPKEQYUSZIMBT-UHFFFAOYSA-N 384.444 -0.430 30 20 GBED C[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)CN1CCOCC1 574088962 GETNLVFQHYSAMP-AWEZNQCLSA-N 380.470 -0.079 30 20 GBED Cn1nnc2cc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)ccc21 592287392 GSKIDGVMNQRYPQ-UHFFFAOYSA-N 385.428 -0.019 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)CC1 728570645 JCBXWCFCBLAPSD-UHFFFAOYSA-N 397.523 -0.302 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 728608904 WQIQZTFBXHUVDR-UHFFFAOYSA-N 386.408 -0.961 30 20 GBED N#C[C@H](C(=O)COc1cccc([N+](=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 732910193 LDLUDRIFDIUTBN-CYBMUJFWSA-N 381.366 -0.061 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 758057989 IVTVDQNNCMSKJW-UHFFFAOYSA-N 396.428 -0.561 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC(=O)N(Cc3ccccc3)C2)c1=O 763312663 OWHJOUJBNHGPSU-UHFFFAOYSA-N 397.435 -0.197 30 20 GBED C=CCS(=O)(=O)CCNC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 783011519 LKMKOPUOYNJIKY-IGQOVBAYSA-N 381.454 -0.307 30 20 GBED Cc1c(C(=O)NS(=O)(=O)CC2(C#N)CC2)cnc2c1c(=O)n(C)c(=O)n2C 793194250 HFGAZUYPMCGWIR-UHFFFAOYSA-N 391.409 -0.696 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(CS(C)(=O)=O)CC2)c1=O 793729613 WLTJSAOLQKEHMW-UHFFFAOYSA-N 398.485 -0.742 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 800001965 ULWNHXUMGABYDS-CYBMUJFWSA-N 381.524 -0.473 30 20 GBED N#Cc1ccc(NCCNC(=O)C(=O)NCCc2cccc(C(N)=O)c2)nc1 804272074 GZYYVBVQMXIDBV-UHFFFAOYSA-N 380.408 -0.061 30 20 GBED CC(C)(C)OC(=O)NCC(=O)NCC(=O)NS(=O)(=O)c1cncc(C#N)c1 813983516 BDBRYOSYSBRZQU-UHFFFAOYSA-N 397.413 -0.601 30 20 GBED C#CCN=c1nc(N2CC[C@](O)(CC#N)C2)[nH]c(N2CC[C@@](O)(CC#N)C2)n1 826623589 GNFBTSVTIIXWQX-HDICACEKSA-N 382.428 -0.952 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](O)Cc2ccccc2Cl)CC1 831568395 HOCVLUVRPSMXHC-OAHLLOKOSA-N 385.873 -0.145 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCC[C@]12CCOC2=O 848958047 SHHCCKXZXWRAGW-GXTWGEPZSA-N 393.487 -0.339 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 875022985 SXPUXPBFIPWHDW-QGZVFWFLSA-N 387.484 -0.006 30 20 GBED COCC(=O)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 916690450 SDEGNONBCLSZIE-UHFFFAOYSA-N 394.453 -0.568 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C2CCN(C(C)=O)CC2)C1 962941663 BZXCNPKSVRAYBU-NCOADZHNSA-N 379.457 -0.476 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@@H]1O 964170991 NWMYZXSSPKNROB-DFGXFYAUSA-N 391.472 -0.193 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2nnc3c2CCCC3)C1 970678546 NWXGEJDCZCOBGM-IRWJRLHMSA-N 389.456 -0.564 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 975880961 XWOVIBJPVRARJP-XGUBFFRZSA-N 390.440 -0.421 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H]1CC 985232687 FQJMKSMKCGCCPS-QXSJWSMHSA-N 378.473 -0.495 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1CC 985521123 GSQLOHYISITOOY-RQJABVFESA-N 378.429 -0.375 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 1021942892 VDVYHFICJNJKLG-GGXPGOJBSA-N 391.468 -0.114 30 20 GBED C[C@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCNS(=O)(=O)c1cnn(C)c1 1109088980 VYYZZHRDPZOEPX-UXOAXIEHSA-N 380.474 -0.420 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 1109150991 NZYMUQCWNKKXGN-FZKCQIBNSA-N 375.473 -0.004 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(C)(C)C(N)=O 1109424968 BYFHTFDSILGRLD-RNJOBUHISA-N 379.461 -0.380 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@H]2[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)[C@H]2C1 1114587244 JGCNXSRAIPLAPS-WQAPVAGSSA-N 376.457 -0.140 30 20 GBED C[C@H](C[S@](C)=O)NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1117570751 GHLODOBTJAUXIQ-RYZVSIALSA-N 377.470 -0.079 30 20 GBED N#C[C@@H](C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)N1CCCC1 1122706588 AVLFFKIRUQUJFD-RYUDHWBXSA-N 380.426 -0.517 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N(CC)CCC#N)C[C@H]1O 1193075312 COUCVBYUVSSFRU-VQHPVUNQSA-N 378.473 -0.109 30 20 GBED C=C(Br)CNC(=O)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O 1261151136 MQUFKZTWHGJNBG-LKFCYVNXSA-N 387.234 -0.152 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1322966557 HJQIOBKDPWDCHX-ZIAGYGMSSA-N 383.445 -0.107 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 1327556907 TXHMGQDWJKCIKS-SFHVURJKSA-N 380.514 -0.472 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)n1 1328709245 XLWYZSCVGMSVJB-LLVKDONJSA-N 382.446 -0.402 30 20 GBED N#CCSCC(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1337406347 AWIOFEJVXCENDD-GFCCVEGCSA-N 375.472 -0.882 30 20 GBED CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCc1ccc(C#N)c(Cl)c1 1343838238 JCHHWDCUJRWPJM-HNNXBMFYSA-N 394.859 -0.021 30 20 GBED C#CCCCn1c([C@@H]2COCCN2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1574582765 QMFXELPHVLQCEU-GJZGRUSLSA-N 396.517 -0.130 30 20 GBED C#Cc1ccc(C(=O)NCCCN(C)C(=O)CC(=O)NCc2cnn[nH]2)cn1 1575022155 NIVRSRMATZQXMC-UHFFFAOYSA-N 383.412 -0.534 30 20 GBED C#Cc1cncc(C(=O)N[C@H]2CC(=O)N(C3CN(CCc4cnn[nH]4)C3)C2)c1 1575032820 NVLFPDQYRNINMK-INIZCTEOSA-N 379.424 -0.561 30 20 GBED CS(=O)(=O)C[C@H](O)CNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1580159336 YLHDJDYNNQIYQP-CHWSQXEVSA-N 378.414 -0.929 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccnc(-c2nn[nH]n2)c1 1582110240 AZNVAXWNZWEUFA-UHFFFAOYSA-N 398.408 -0.383 30 20 GBED C#C[C@H](C)N(C)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1C[C@H]1CCOC1 1588326687 RXOUCUBOJDICOT-NWDGAFQWSA-N 383.420 -0.408 30 20 GBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588353411 QSPRRTINWWOCCP-RWMBFGLXSA-N 382.428 -0.379 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2OC)cn1 1588370005 HYIVLTDZGVZZQS-HUUCEWRRSA-N 391.395 -0.333 30 20 GBED C=C[C@](C)(O)CC(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 1588504347 KFMGCGGXDAQDAM-KRWDZBQOSA-N 387.448 -0.778 30 20 GBED C=CCn1cc(C(=O)NC[C@H](O)CNc2snc(C)c2-c2nn[nH]n2)nn1 1588712650 AUCHTFKKMVDONJ-VIFPVBQESA-N 390.433 -0.388 30 20 GBED CC(C)(C)n1cc(-c2nn[nH]n2)c(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)n1 1589249261 MFRVYXZLKZBQPE-MRXNPFEDSA-N 387.404 -0.366 30 20 GBED COc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)ccc1-c1nn[nH]n1 1591511211 MIWUEJNZDQPZNB-UHFFFAOYSA-N 394.351 -0.294 30 20 GBED N#CCSCC(=O)N1CCO[C@H](CNc2ccc(-c3nn[nH]n3)nn2)C1 1592680721 YAWQNHYRVFMTKY-SNVBAGLBSA-N 375.418 -0.447 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](O)[C@@H]3C(=O)O)CC2)o1 1610551687 RQMNEDMMXUYQON-DZGCQCFKSA-N 377.401 -0.587 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)COCc2nccn2C)C1 1757184814 ZDSAUHQPAZFHQY-KRXQYRFLSA-N 392.456 -0.394 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1780432375 QRIVAINFOVMWOI-LIRRHRJNSA-N 390.440 -0.090 30 20 GBED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781044080 VSXPSRRSNOCTDL-DCWBZCDFSA-N 393.488 -0.989 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781111737 PGTZTJZZWHPOFP-MAUKXSAKSA-N 396.557 -0.085 30 20 GBED N#CCc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)cc1 1781792268 ZVZGORCUAJXCNZ-WFXMLNOXSA-N 398.463 -0.081 30 20 GBED NC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1785628976 GQNSUXBXUIKWNB-HQVSJVNPSA-N 397.432 -0.986 30 20 GBED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=N)N)C[C@@H]21 1789954809 BFBUGKQOIOWLBL-RFGFWPKPSA-N 382.465 -0.750 30 20 GBED C[C@@H](Cn1ccnc1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791631215 WZCNFQDXRIDSSK-VGWMRTNUSA-N 388.424 -0.413 30 20 GBED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1)n1cnnn1 1792142228 OOZCYTHXRVGAIK-QPSCCSFWSA-N 387.444 -0.092 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccn1)C2 1792488535 HRTBXKHYTAAZMZ-KQLJBOCNSA-N 387.440 -0.669 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1ccnn1)C2 1793346539 FJGUMZGARKWPNQ-MPTYRVRUSA-N 375.429 -0.704 30 20 GBED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2C[C@H](O)CN2)n[nH]1 1820753584 IZGGWROEEZISLJ-WCFLWFBJSA-N 375.385 -0.787 30 20 GBED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1831174590 LFHXGXOQGZWMOS-AUUYWEPGSA-N 394.472 -0.093 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834760910 MSKFWBIXGOFXQD-CLBJDOSESA-N 394.428 -0.115 30 20 GBED COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1835239912 ISAWBRNESFSWSQ-GOSISDBHSA-N 383.445 -0.344 30 20 GBED C[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1836759885 DJSVNCFJOJHYNF-VCBZYWHSSA-N 378.425 -0.033 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC=CO1)CCO2 1837418802 KKSKJKAMTVYTKA-RDTXWAMCSA-N 378.381 -0.777 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cccn3)nc1)CCO2 1838120483 ZABCVGCVYONQAE-FQEVSTJZSA-N 395.419 -0.030 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)c1 1838736216 RDBGZODTZCECDH-KRWDZBQOSA-N 385.384 -0.612 30 20 GBED C#CCCCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044138 MYGLIKZDGFJTIW-IBGZPJMESA-N 376.409 -0.276 30 20 GBED COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1840322683 RACNDVFKOBKWNM-IAQYHMDHSA-N 375.447 -0.883 30 20 GBED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843084211 UYAHNNPJRKGRJB-RIEVCORGSA-N 377.405 -0.595 30 20 GBED N#Cc1cccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 14101416 UNFYZVKSCDNICD-UHFFFAOYSA-N 378.454 -0.277 30 20 GBED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN3CCO[C@@H](C#N)C3)C2=O)cc1 269399185 CGAFULXTYOOTHB-KBXCAEBGSA-N 387.396 -0.282 30 20 GBED C=C[C@@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 292652795 LCBKJUVWVLVSHD-LOWVWBTDSA-N 385.398 -0.618 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 293105759 WVTARKJARSYOIC-GFCCVEGCSA-N 390.487 -0.019 30 20 GBED Cc1ccn(C)c(=O)c1N=C(O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 329862109 QUFXSPRCWCHMBH-UHFFFAOYSA-N 399.473 -0.566 30 20 GBED O=C([C@@H]1CCCN1C1CC1)N1CCN(C/C(O)=N/[C@H]2CCS(=O)(=O)C2)CC1 330287705 BIZWVFMFZLPRJW-HOCLYGCPSA-N 398.529 -0.099 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)C1=O 366745041 QUSIMGFLNVOYKA-TZMCWYRMSA-N 388.424 -0.035 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)CCO1 410132826 YLRKMQRHINMHQU-HNNXBMFYSA-N 382.417 -0.061 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)CCO1 410134317 HYWDGUYYMMSLAP-INIZCTEOSA-N 399.517 -0.478 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCO[C@@H](CN)C3)C2=O)cc1 418899216 BQEAZEWMUZFOMN-HOTGVXAUSA-N 385.424 -0.644 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](O)[C@H](OC)C2)cc1 453974028 YUBYPKWVIHIDHJ-HUUCEWRRSA-N 397.453 -0.350 30 20 GBED CNC(=O)N[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 466396151 NXBUDYFFVROBBE-AAEUAGOBSA-N 379.442 -0.245 30 20 GBED N#CCN1CCN(C(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 468786935 BPJWGYIUTDGQTI-OAHLLOKOSA-N 383.408 -0.416 30 20 GBED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1cc(C(N)=O)no1 483197656 XOADUCOODWPARI-UHFFFAOYSA-N 398.423 -0.148 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)C1=O 512550804 MQZOCDCULXMNNK-OAHLLOKOSA-N 398.419 -0.031 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)c1 518204735 LWBFUWZXTWEUCK-CYBMUJFWSA-N 387.483 -0.085 30 20 GBED Cc1cc(NC(=O)C(=O)NCC(=O)NCC#N)nn1-c1ccc(F)cc1F 563836823 QTQSMMCVRPRIIT-UHFFFAOYSA-N 376.323 0.153 30 20 GBED CC[C@](COC)(NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 565023803 DUKIXJQLKPGZFO-MRXNPFEDSA-N 383.426 -0.079 30 20 GBED Cn1cnc(CNS(=O)(=O)c2ccc(S(=O)(=O)NC(C)(C)C#N)cc2)n1 580903396 SXHWGWLOSQWUJY-UHFFFAOYSA-N 398.470 -0.126 30 20 GBED CN1CCN(C(=O)C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)[C@@H](CN)C1 593782643 QGSFSSQLYIBLMY-IBGZPJMESA-N 398.511 -0.260 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)c1 617871157 DWPFGNVADNWOFZ-UONOGXRCSA-N 388.467 -0.307 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O 619711609 VNIJAGRHMSKGDT-IUODEOHRSA-N 387.462 -0.597 30 20 GBED C[C@@H](NC(=O)c1cccs1)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732909981 IGMOMZJFMGNDSB-MNOVXSKESA-N 383.451 -0.168 30 20 GBED Cn1c(=O)c2cc(C(=O)O[C@@H](C(N)=O)c3ccc(C#N)cc3)n(C)c2n(C)c1=O 734577306 DLFVIQHJNUQODT-CQSZACIVSA-N 395.375 -0.169 30 20 GBED C#CCN(CC(=O)NCc1cccc(-c2nn[nH]n2)c1)[C@H]1CCS(=O)(=O)C1 735374296 HJSWIWRQTSSMIM-HNNXBMFYSA-N 388.453 -0.395 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)Oc2ccccc2-c2nn[nH]n2)CC1 735380179 DOYQNWGUJACOKJ-AWEZNQCLSA-N 397.439 -0.472 30 20 GBED C[C@H](CC(=O)NCCNS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 742515001 FPICPDXGEWBTKV-SNVBAGLBSA-N 388.471 -0.831 30 20 GBED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 746437132 TYIHPVUJWFVVIW-AWEZNQCLSA-N 387.444 -0.500 30 20 GBED COC(=O)[C@]1(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCOC1 755736664 KCVSFDBPMSZHHL-GTNSWQLSSA-N 395.437 -0.048 30 20 GBED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2CC)c1=O 758051772 XXTFBDDOQBYXJL-UHFFFAOYSA-N 397.460 -0.879 30 20 GBED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccccn2)c1=O 758054302 KRZJHIJMZBLVRK-CYBMUJFWSA-N 382.445 -0.408 30 20 GBED CCOc1cccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1O 771899059 XQAVEIAEXZVTBR-UHFFFAOYSA-N 382.398 -0.499 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](N3CCOCC3)C[C@H]2C)c1=O 795687522 CPOWWYWRTNZLFQ-HZPDHXFCSA-N 391.472 -0.704 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCOC2)cc1 848941847 LTLDIFXHIGHNAZ-CYBMUJFWSA-N 383.451 -0.099 30 20 GBED C#CCNS(=O)(=O)CCCS(=O)(=O)N1c2ncccc2NC(=O)[C@H]1C 848966895 GRKLCMUDOZADCT-LLVKDONJSA-N 386.455 -0.499 30 20 GBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1cc(C2CCOCC2)[nH]n1 848967354 YMIWNSWYZKGFOX-UHFFFAOYSA-N 390.487 -0.012 30 20 GBED C[C@@H](CC(=O)NCCN1CC[C@@H](O)C1)/N=C1/NS(=O)(=O)c2ccccc21 863322529 WTZWSBZSHYLMDU-QWHCGFSZSA-N 380.470 -0.314 30 20 GBED C=C(C)CN(CC)C(=O)COC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914653363 JYUHQUNUBOFJCB-UONOGXRCSA-N 386.470 -0.010 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccncc3)C[C@@H]2O)nn1 963317381 JZTPFQJBGJCSLL-HWMZRRJGSA-N 382.424 -0.036 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2nnnc2C(C)C)C1 964081759 SVRSRRRZWLHFTP-FQLMCAECSA-N 392.460 -0.534 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)nc2OC)C1 969507630 XKVYJMDZNDFQGK-RZFFKMDDSA-N 378.429 -0.289 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@H]1O 1025712147 GCQRCAIGMSDZGF-GBOPCIDUSA-N 376.413 -0.694 30 20 GBED Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1N=c1cc[nH]cc1C#N 1052750237 JZJBNAZHLQKELK-HLPPOEQASA-N 379.424 -0.363 30 20 GBED C#CCN1CCN([C@H]2CCCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)C(=O)C1 1071268975 GUNAJVQTEKNKQW-LSTDLKDCSA-N 375.469 -0.194 30 20 GBED Cc1cc(C#N)nc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CCCS(N)(=O)=O)n1 1092908881 OWXKTLIONKBYCO-RDBSUJKOSA-N 378.458 -0.049 30 20 GBED CC(=O)N1CCC(NC(=O)CN2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@@H](C)C#N)CC1 1110395794 FDHJTNOYSMUUCV-DXEWXGHRSA-N 375.473 -0.005 30 20 GBED N#CCCN(CC1CC1)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1116727521 WAIIQTWLNYLPFI-UHFFFAOYSA-N 388.428 -0.167 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 1118247968 TYFNFPRKIOSSFJ-LJQANCHMSA-N 398.423 -0.051 30 20 GBED C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1nnnn1C1CC1 1261924640 BCYFNATYFHYEFB-LBPRGKRZSA-N 395.427 -0.199 30 20 GBED C#CCN1CCC[C@H](NC(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)C1 1262041189 PFMXNQHOZMGRJE-MSOLQXFVSA-N 393.532 -0.048 30 20 GBED N#Cc1cccc([C@H]2CN(C(=O)C(=O)NCCN3C(=O)CCC3=O)CCO2)c1 1324615691 RRFAAIKFCOFQFV-OAHLLOKOSA-N 384.392 -0.277 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@H]3CC[C@@H](C(N)=O)C3)CC2)cc1 1325963050 HTPWCNQUEMANKN-SJORKVTESA-N 383.452 -0.027 30 20 GBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCc2ccc(OCC#N)cc2)C1 1326082961 CPYIFDWHEJWQKK-KGLIPLIRSA-N 375.381 -0.412 30 20 GBED CN1CCC[C@@H]2CN(C(=O)C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC[C@@H]21 1326596380 JTHQVDWTUVWSEV-OVZRNVPMSA-N 389.456 -0.428 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCC(=O)N3CCCC3)C2=O)cc1 1329419024 OYRPONUAZRILNN-MRXNPFEDSA-N 397.435 -0.092 30 20 GBED C=CCN(C(=O)C(=O)NC[C@@H](N1CCNCC1)C(F)(F)F)[C@@H](C)COC 1330527212 DWYCNZLCFPOSTD-QWHCGFSZSA-N 380.411 -0.012 30 20 GBED CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C(=O)N1CCN(C3CC3)[C@@H](C#N)C1)CC2 1332019453 PBFOVUQINLWDJR-YESZJQIVSA-N 390.484 -0.036 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2Cc2ccccc2F)CC1 1336966561 CXLRKIMCMGJIBF-UHFFFAOYSA-N 379.421 -0.550 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2[nH]nc(C(F)(F)F)c2C)CC1 1347278120 ALTQRTFWURTDBS-UHFFFAOYSA-N 379.364 -0.038 30 20 GBED C#CCNC(=O)[C@@H](C)N(C)C[C@H](C)NC(=O)C1CCN(Cc2cnn[nH]2)CC1 1574986182 UNUQJNJXECYJMO-LSDHHAIUSA-N 389.504 -0.409 30 20 GBED C[C@H](C(=O)NCc1cnn[nH]1)N1CCO[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 1575228808 YXLFHDHDIZZMLI-RISCZKNCSA-N 386.416 -0.860 30 20 GBED C[C@@H](OCc1cnn[nH]1)C(=O)NC[C@@H](O)CNCc1ccc(C#N)cc1F 1575851465 ADTFODLJIIRQAP-ABAIWWIYSA-N 376.392 -0.013 30 20 GBED C#CCN(C(=O)c1cnn[nH]1)C1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 1588348883 RPUSQEULUULZDV-UHFFFAOYSA-N 379.388 -0.481 30 20 GBED C#CCNC(=O)[C@H](C)NC[C@@](C)(NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 1588353337 OJBVENBPDIFWTJ-BBATYDOGSA-N 384.444 -0.179 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2[nH]c3ccccc3c2-c2nn[nH]n2)CC1 1588354395 LSKNSEWIOCWQMQ-UHFFFAOYSA-N 392.423 -0.145 30 20 GBED COc1ccccc1C[C@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)O 1599707585 OZXGFHGBYKDLJC-KGLIPLIRSA-N 383.426 -0.003 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nn[nH]n3)C2)nn1 1602882255 DYUSPBQQNBOFFH-LLVKDONJSA-N 381.404 -0.167 30 20 GBED CN1CCN(CCC(C)(C)NC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1633213249 QCIYIZLZYJRSLN-UHFFFAOYSA-N 376.461 -0.257 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781419168 FLBVOPIZIHFHRL-GOSISDBHSA-N 389.460 -0.610 30 20 GBED N#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(CCO)CCO)C1 1781837135 VZDNGCGODZMSCH-VQIMIIECSA-N 396.488 -0.909 30 20 GBED CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1782644286 SXJOSVDICOCRLO-KRWDZBQOSA-N 379.486 -0.396 30 20 GBED CC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1792863559 QUALGMBIEWVAMH-LUVCIMKASA-N 383.445 -0.124 30 20 GBED C[C@@H](Oc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800781065 GLRCKFYJBMAIJH-ZUMXRPEOSA-N 387.392 -0.474 30 20 GBED CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800981590 XTPMTQHCXDEJGR-NJMOYASZSA-N 393.531 -0.778 30 20 GBED O=C(O)C#CC(=O)N1CCC2(CCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)CC1 1804982352 VAWGEPNIYVZULZ-CQSZACIVSA-N 375.425 -0.168 30 20 GBED CS(=O)(=O)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1814327522 GTRRRANJIWYBJI-QMMMGPOBSA-N 385.423 -0.812 30 20 GBED CS(=O)(=O)CC(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825664626 NINQWADYPYGFAH-QMMMGPOBSA-N 385.423 -0.812 30 20 GBED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833469285 PDVPKBGILNIWSM-OAHLLOKOSA-N 389.452 -0.316 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCOCC3)CCO2)C1 1835188003 QORUGABDSXKMNW-OXQOHEQNSA-N 394.468 -0.092 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)NCC)CCO2 1837386162 MQZNCRJQZQLNOD-HNAYVOBHSA-N 394.472 -0.436 30 20 GBED C[C@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837442142 QBNMPBWGNIQJNY-CNZVFRIRSA-N 395.504 -0.491 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(O)c3ccn(C)c13)CCO2 1838440338 ZXXKYIJWAOIRLF-FQEVSTJZSA-N 398.419 -0.018 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc(O)nn1)CCO2 1839649650 AKTGDDDLDGRLEY-GOSISDBHSA-N 389.412 -0.515 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1839844474 KLWSMZNSWVPBTA-IUVQAAGXSA-N 381.473 -0.622 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](Cn3ccnn3)C2)c1=O 154998565 XKUQTZVWHRCNSL-OAHLLOKOSA-N 387.444 -0.495 30 20 GBED C[C@H](O)C(=O)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 270899414 ZJRKQHJOZQDNMR-ZDUSSCGKSA-N 379.438 -0.475 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Cc1cccc(OCC#N)c1)C2 276467995 WXVOMDVKLGLHJV-UHFFFAOYSA-N 398.423 -0.380 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 286629738 MIGWOYJJQFYSQW-MRXNPFEDSA-N 388.472 -0.202 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCc1ccccc1S(N)(=O)=O 287501214 RTYNBARKHYCOIB-UHFFFAOYSA-N 376.460 -0.470 30 20 GBED CNC(=O)CCN(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 288619779 OERMLAXMFQQABY-HNNXBMFYSA-N 385.424 -0.630 30 20 GBED Cn1c(NCC(=O)N2CCN(c3ccccc3)CC2)c(C#N)c(=O)n(C)c1=O 299341859 MQBMTDWEZAIIFD-UHFFFAOYSA-N 382.424 -0.284 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N(C)C[C@@H](C)O)ccc1C#N 349483242 QFYRHOLXNFYVGN-LLVKDONJSA-N 390.487 0.036 30 20 GBED CC(=O)N1CCCN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)CC1 349540150 RZGMZDUGZAHDRY-LBPRGKRZSA-N 380.492 -0.908 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H]3C[C@H](N(C)C)CC[C@H]32)C1=O 366429044 MVVMQKMQQDCMDS-MGPQQGTHSA-N 378.429 -0.327 30 20 GBED CCCCn1c(N)c(N(CC)C(=O)CN2CCO[C@H](C#N)C2)c(O)nc1=O 436133781 SAROSJPPJRHNHO-GFCCVEGCSA-N 378.433 -0.092 30 20 GBED CCS(=O)(=O)N1CC(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 438920965 VWATUUZVBURDHB-UHFFFAOYSA-N 399.494 -0.129 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1C[C@H](O)COc1ccc(C#N)cc1 497574746 KZKBOLACALQRLY-DOTOQJQBSA-N 391.424 -0.322 30 20 GBED Cn1cc(C#N)c(=O)n(CC(=O)NCc2ccccc2CN2CCOCC2)c1=O 497946574 QVGSJIOLFQJBQD-UHFFFAOYSA-N 397.435 -0.433 30 20 GBED COc1ccc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cn1 555797945 LOKFFHFUBVKWNZ-UHFFFAOYSA-N 397.439 -0.031 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CC(O)(CC#N)C2)cc1 565227595 BHFBGMZTNYAMKQ-UHFFFAOYSA-N 384.439 -0.520 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3COCCN3)CC2)c(Cl)c1 599962559 RZZWODWJTDXMDS-CQSZACIVSA-N 391.859 -0.035 30 20 GBED CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 600047773 LXTRYNVQMYJCCO-UHFFFAOYSA-N 389.387 -0.167 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCc1cc(S(N)(=O)=O)ccc1F 619710097 DPROALSTTHZYKA-UHFFFAOYSA-N 394.450 -0.330 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)N[C@@H](Cc2ccccc2)C(C)=O)CC1 728573444 WHFUPZQREKCVED-IBGZPJMESA-N 384.480 -0.330 30 20 GBED C=C(Br)CN1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 749322638 BOXIAPCLBGJZBA-LBPRGKRZSA-N 380.308 -0.184 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 755787480 VSNBKMNHWFCKDX-UHFFFAOYSA-N 389.441 -0.248 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 757604083 LBYYIOMZSNTURH-JQWIXIFHSA-N 387.400 -0.054 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2nnnn2Cc2ccccc2)CC1 761031127 OGTNSJUGFNLBEV-UHFFFAOYSA-N 375.458 -0.693 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(n3cc(C(=O)O)nn3)C2)cc1 780313569 WEEOBNIPKRKLGW-UHFFFAOYSA-N 389.393 -0.415 30 20 GBED COC(=O)C[C@@H]1COCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 813664942 CKTXBAVDQZJMRQ-GFCCVEGCSA-N 395.437 -0.094 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cn(C)nc2C(F)(F)F)CC1 815010503 ZETHZTJTMNYXED-UHFFFAOYSA-N 393.391 -0.505 30 20 GBED COC(=O)CN(CC(=O)O)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 831164369 LTFGBKPYPLJDCC-JTQLQIEISA-N 383.382 -0.689 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CCC(N)=O)cc1 848943485 GUBQIGAWIACXTD-UHFFFAOYSA-N 398.466 -0.670 30 20 GBED C#CCN(CC#CC)S(=O)(=O)CCCS(=O)(=O)N1CCn2nccc21 848960536 HGEWHTNOIIWWQQ-UHFFFAOYSA-N 384.483 -0.289 30 20 GBED C#C[C@@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)Nc1nc(C)n(C)n1 848969607 USSLAMWFXZGEHM-LLVKDONJSA-N 377.492 -0.071 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@H](O)COc2ccccc2C#N)CC1 859215382 FHMLLNCWRPOADE-INIZCTEOSA-N 378.454 -0.617 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 875121221 QXANMVGTYBUHLZ-YJBOKZPZSA-N 383.514 -0.145 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cn2cncn2)[C@H](OC)C1 946849267 LCVNVOLKGISJFD-HWMZRRJGSA-N 377.445 -0.009 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn(CCN(C)C)c2)C1 964349851 VOGFZODGGWOYSL-NCOADZHNSA-N 391.472 -0.663 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2ccc(O)nc2)C1 968975630 XMKMXWXGVZULJH-WCVJEAGWSA-N 375.425 -0.001 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2OCC)nc1 983325403 NVOKQTORAFICHA-PNBKFKSVSA-N 384.436 -0.222 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2CC(=O)NC2=O)nc1 999326866 PWAJPSXZIWBUQI-SNPRPXQTSA-N 381.392 -0.524 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc3c(c2)nnn3C)C1 1024717910 QFMGMXJRNUMILC-NGFQHRJXSA-N 386.412 -0.744 30 20 GBED CN(CCNS(C)(=O)=O)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 1116059824 RFZFQMVWWPEVAR-MRXNPFEDSA-N 379.442 -0.236 30 20 GBED Cc1cc(N2CC[C@@H](NC(=O)CCN/C(O)=C3\N=CC=CC3=O)C2=O)n(C)n1 1116184265 IMRIQDJBJNIJMR-QIVXWBPLSA-N 386.412 -0.133 30 20 GBED COC(=O)C[C@H]1CN(C(=O)C(=O)NCc2cccc(OCC#N)c2)CCO1 1117383011 LQFPLJAWQQZMAV-HNNXBMFYSA-N 375.381 -0.004 30 20 GBED N#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 1129112767 LNSKFUHVHRESFY-AIANPOQGSA-N 387.444 -0.926 30 20 GBED N#Cc1cn(CCNC(=O)Cn2cc(C(F)(F)F)ccc2=O)c(=O)nc1O 1148393225 STNZDJPRHHLXMJ-UHFFFAOYSA-N 383.286 -0.183 30 20 GBED C#CC1CCN(C(=O)C(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)CC1 1261485396 ZFVSMDHXPPQDPY-MRXNPFEDSA-N 392.500 -0.456 30 20 GBED C=CCn1c(C2CCN(CCO)CC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1262966353 INHXEYNQQLBASJ-OAHLLOKOSA-N 378.477 -0.413 30 20 GBED N#CCc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1318951073 IOLGQHPPHHWSPU-ZDUSSCGKSA-N 385.467 -0.276 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 1323191502 BJERHHNEHWMFFX-HOCLYGCPSA-N 397.483 -0.014 30 20 GBED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NCCN1C(=O)CNC1=O 1323483912 ZRRDAKPYCGSIKT-HUUCEWRRSA-N 383.408 -0.047 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 1324202043 DGKPJTNPQZYVIO-CQSZACIVSA-N 384.477 -0.028 30 20 GBED C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C(=O)N1CCO[C@@H](C#N)C1 1326809165 GFZIGFHXILFBPF-OUAUKWLOSA-N 376.335 -0.205 30 20 GBED C=C(C)Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@@]1(O)CCOC1 1343231801 YRNQHXZHWJNBIG-GOSISDBHSA-N 378.477 -0.328 30 20 GBED Cc1cc(C#N)c(=O)n(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 1345931177 QIBQLURPDZCBSN-HNNXBMFYSA-N 378.454 -0.640 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 1346212801 SVUNZHXBKAAZMK-OAHLLOKOSA-N 393.465 -0.145 30 20 GBED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1O 1573309351 HIXQPZLKOQWJMG-PBFPGSCMSA-N 388.432 -0.449 30 20 GBED C[C@H](NC(=O)C#CC1CC1)[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1575247025 HRTIXBCOLRDXHS-XHDPSFHLSA-N 383.412 -0.046 30 20 GBED COC(=O)[C@H](Cn1cncn1)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1579436515 JPSSTRBXIKRERJ-KBPBESRZSA-N 395.383 -0.502 30 20 GBED N#Cc1nccc(N2CCOC[C@H]2CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 1581884816 CHBNNHCIHPONEF-SNVBAGLBSA-N 380.372 -0.508 30 20 GBED C#CC[C@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588331629 QHPGLGXIWQMJKT-CMPLNLGQSA-N 378.414 -0.966 30 20 GBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@]2(C)C1 1588353367 POCVQAVIZKUOPX-QUJCMNEKSA-N 396.455 -0.273 30 20 GBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC[C@H]21 1588354746 XXUDWWDRLGWRMC-IUODEOHRSA-N 382.428 -0.519 30 20 GBED C=CCC[C@@H](NC(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O)C(=O)OCC 1588579457 MTZORLIFVBXOPL-SNVBAGLBSA-N 377.361 -0.857 30 20 GBED CCc1nc(NC[C@@H](O)CNC(=O)CSCC#N)cc(-c2nn[nH]n2)n1 1590917569 SCHHZYLLIRATAR-SECBINFHSA-N 377.434 -0.635 30 20 GBED CS(=O)(=O)NCCCNC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1591677225 GPGOVJRXWSNIAN-ZDUSSCGKSA-N 377.430 -0.396 30 20 GBED N#Cc1ccc2c(c1)C[C@H](NC(=O)Cn1cc(-c3nn[nH]n3)c(O)nc1=O)C2 1592697671 MQPDBPJYPUDXKR-GFCCVEGCSA-N 378.352 -0.716 30 20 GBED O=C(N[C@H]1CCN(O)C1=O)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2F)C1 1592988559 LKLNXAJVUSUMQW-JQWIXIFHSA-N 375.364 -0.062 30 20 GBED C#C[C@@H]1COCCN1CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O 1602697598 YFPMRRKSXLFIPS-RDTXWAMCSA-N 381.396 -0.075 30 20 GBED C[C@H](C(=O)N1CCN(c2cnccc2-c2nn[nH]n2)CC1)n1cnc(C#N)n1 1603003458 PGOVWAJJEONRSC-LLVKDONJSA-N 379.388 -0.365 30 20 GBED CC(C)(C(=O)O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1603259687 JJTRGAKXCFGIGG-UHFFFAOYSA-N 394.453 -0.156 30 20 GBED C[C@H](CC(=O)N1C[C@H](O)C[C@H]1C(=O)O)/N=C1/NS(=O)(=O)c2ccccc21 1604070481 YZZRPLXPFRBPCE-FOGDFJRCSA-N 381.410 -0.450 30 20 GBED N#C[C@@]12CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)C[C@H]1CS(=O)(=O)C2 1606354329 FXLZZHJXHFBFOT-FZMZJTMJSA-N 394.438 -0.574 30 20 GBED N#Cc1cnc(N2CCO[C@@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cn1 1606390058 KQUYZFOXIBKTJV-NSHDSACASA-N 380.372 -0.508 30 20 GBED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H](O)C[C@@H]2C(=O)O)CC1 1608173072 AZSILEWCJRSEIV-BFHYXJOUSA-N 378.454 -0.023 30 20 GBED Cc1cc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)S)C3)C2)no1 1783893644 OVARLLBGJPVFFJ-YVEFUNNKSA-N 396.469 -0.139 30 20 GBED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2 1783915315 ACPSUPLVBZLZCL-CRAIPNDOSA-N 382.413 -0.113 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCOC3)C2)C1 1784714521 RJMBLSDLIAXWIZ-UYOUTQTKSA-N 377.441 -0.289 30 20 GBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCNC3=O)CCO2 1785421261 YLAHWRDDUASZIO-IBGZPJMESA-N 385.424 -0.517 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]2C1 1786645319 YCGNKOKFNGLTPK-QPSCCSFWSA-N 388.486 -0.398 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCC(=O)N4)[C@H]3C2)c1 1786675856 HOVCZUOZZJCXHC-AYDFFVQHSA-N 385.424 -0.242 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 1788573431 QYHXOPRNFLQGMN-QXKUPLGCSA-N 393.484 -0.182 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21 1788575818 HPKKYXLNNXHHMD-QXKUPLGCSA-N 393.484 -0.325 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccn3n1)C2 1793343325 RYJNDYMDGOSENW-XQLPTFJDSA-N 398.423 -0.634 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccncc1=O)C2 1793361271 LQQMLEKOEVLVGY-ZXFNITATSA-N 390.440 -0.576 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnnc1 1794669482 GNKNWAUPFPUDLN-MUJYYYPQSA-N 386.456 -0.038 30 20 GBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(N2CCN(C)CC2)CC1 1799195864 IBWSOAAFIWZJOQ-IZZQQSIFSA-N 388.512 -0.231 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CCNC(=O)C2)[C@H]1c1cccnc1 1813137344 WWNAGYBNOFAPJJ-ZXYWRSMDSA-N 398.419 -0.298 30 20 GBED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1825015657 VFVPFMWYSAGZTE-MRVPVSSYSA-N 383.393 -0.267 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)[nH]3)C2)C1 1831388490 YYIGYWIGDFXBNE-AUUYWEPGSA-N 390.440 -0.174 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1831433998 PJARXWOASNOJMN-BEFAXECRSA-N 397.472 -0.440 30 20 GBED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 1831670137 NUJJUEYALVUURO-LSDHHAIUSA-N 375.425 -0.027 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833877863 RVHXJHLQNAZCBB-RDTXWAMCSA-N 393.444 -0.524 30 20 GBED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)nn1C 1834765971 PAOJYJKJBQJCFW-KRWDZBQOSA-N 377.401 -0.588 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1840843293 HBNMUKRJPMEKKQ-IBGZPJMESA-N 390.440 -0.088 30 20 GBED N#CC1(C(=O)N2CCCC23CN(C(=O)CN2CCS(=O)(=O)CC2)C3)CC1 1842807187 UMMHSKPKFJOKNH-UHFFFAOYSA-N 380.470 -0.776 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2 1845187470 IUBKUXACOUXMPI-UHFFFAOYSA-N 392.412 -0.749 30 20 GBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1ccc3c(c1)NC(=O)CO3)C2 1846195808 GGJKGOSUFWQOKP-UHFFFAOYSA-N 383.360 -0.078 30 20 GBED C[C@H](C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)n1cnnn1 1846646237 DRNPNNZUZFLCAO-SFCGCRHKSA-N 391.432 -0.034 30 20 GBED C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 22816073 WGTZSMFSYIGKFH-GFCCVEGCSA-N 391.428 -0.210 30 20 GBED COC(=O)[C@@H](c1cccc(C#N)c1)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 276388788 JDMAVHXHUQFKPV-QGZVFWFLSA-N 398.423 -0.265 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCCCN1CCN(C)CC1)c1cc[nH]n1 276501444 HWVJDOKSMLSFIF-LTGZKZEYSA-N 380.449 -0.553 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(/C(O)=N/CC3=CCCOC3)CC2)CC1 329713683 RVYZSKUSTBASIR-UHFFFAOYSA-N 387.506 -0.643 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N=c1nc[nH]n1C 349474465 VLUZMLKPJYXYLE-LLVKDONJSA-N 398.470 -0.182 30 20 GBED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCn2cnnc2C1 349513047 WLQUILFAROOEJD-GFCCVEGCSA-N 390.491 -0.719 30 20 GBED C=C(C)CS(=O)(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 408401408 BXCSPCRXIJOFGL-OKILXGFUSA-N 381.520 -0.136 30 20 GBED COc1ccnc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)n1 425901918 UGJBFQPTSKJGEF-UHFFFAOYSA-N 381.396 -0.283 30 20 GBED C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 484410251 MUGJSTPWDLYCEQ-SWLSCSKDSA-N 384.396 -0.255 30 20 GBED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)cc1 523082900 GWJGVIOKWCPVRL-UHFFFAOYSA-N 397.457 -0.012 30 20 GBED COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C#N)cc1OC 563633262 HBNJIFNXABOCGH-ZDUSSCGKSA-N 388.380 -0.214 30 20 GBED CCN([C@H]1CCNC1=O)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 566486134 BVVIFLVDODEALY-ZDUSSCGKSA-N 386.455 -0.612 30 20 GBED CC(C)(C)NC(=O)CNC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 581440379 FKGQFYJRLNMFQV-UHFFFAOYSA-N 389.456 -0.417 30 20 GBED COc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC(CC#N)C2)ncn1 595965156 NOCJQZDHSRRQPR-UHFFFAOYSA-N 389.459 -0.208 30 20 GBED N#CC1(NS(=O)(=O)c2ccccc2S(=O)(=O)N[C@H]2C[C@H](C(N)=O)C2)CC1 600761846 SFAQEWSKVRGNAG-XYPYZODXSA-N 398.466 -0.437 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)C2CCN(c3cnccn3)CC2)CC1 733364240 BVQZYRVQEJFAGK-UHFFFAOYSA-N 384.484 -0.023 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 738294225 ADUVKRKVCFIVFL-SQFISAMPSA-N 389.397 -0.329 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 757604085 LBYYIOMZSNTURH-PWSUYJOCSA-N 387.400 -0.054 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1)[C@@H]1CCCO1 773795339 NSDUTNDSYZNISX-GJZGRUSLSA-N 384.392 -0.026 30 20 GBED C#CCCCS(=O)(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 804941090 MAACSNWDQMPEFU-INIZCTEOSA-N 392.543 -0.059 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 814110652 ZENBQRYWLWEQQN-QLPKVWCKSA-N 390.484 -0.007 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCOC[C@H]1C#N 820438046 GWUBWMAEDQLLMX-CMPLNLGQSA-N 391.413 -0.716 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](NS(=O)(=O)C2CC2)C(C)C)CC1 826549575 JKRBYKGNUSEDCE-QGZVFWFLSA-N 398.529 -0.624 30 20 GBED C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 848506277 AKMBVQYRPAHIAE-OUAUKWLOSA-N 384.380 -0.013 30 20 GBED C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1nc2n(n1)CCCC2 848965666 UOECSOPKVNKNLU-LLVKDONJSA-N 375.476 -0.313 30 20 GBED CN1CC(=O)Nc2cc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cnc21 863935182 VBRHGTQDRSAAGD-UHFFFAOYSA-N 381.352 -0.699 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](OC)C1 946798112 ZIUUALGSMPBEDY-QPKOPYBWSA-N 376.413 -0.340 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c(C)nnn2CC)C[C@@H]1O 964489938 OJPOKAKURWAEBI-FQLMCAECSA-N 377.445 -0.111 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2ccnc(OC)c2)C[C@H]1O 1025711539 YZZJHYYOMOTIOH-FPCVCCKLSA-N 375.425 -0.088 30 20 GBED N#Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)sc1Cl 1041346612 GLXBXLOMDSDBIF-DOLQZWNJSA-N 385.833 -0.633 30 20 GBED C=CCN1CC[C@@H](N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CC2CS(=O)(=O)C2)C1=O 1097377109 RSUVDVBWGIILFY-LVQVYYBASA-N 381.498 -0.071 30 20 GBED N#CCOc1cccc(CNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 1323494987 OJRZHRDERRXDTN-UHFFFAOYSA-N 399.451 -0.372 30 20 GBED CNS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1324544814 ICSULEUXUQVQMW-UHFFFAOYSA-N 397.432 -0.989 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)C1 1326049895 XYFBGHTWNBMSJQ-BFUOFWGJSA-N 384.392 -0.293 30 20 GBED CCOC1CC(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)(N2CCOCC2)C1 1329365199 OWSAJZSRPALTAP-PPSBMQLTSA-N 394.472 -0.750 30 20 GBED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2CC[C@](F)(C#N)C2)CC1 1344758206 QVZFQDHGQVGSNJ-KSSFIOAISA-N 397.451 -0.864 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)CC1 1346153514 UYTAANBLEVSEQU-HOTGVXAUSA-N 380.489 -0.105 30 20 GBED CCS(=O)(=O)N1CCC([C@H](C)N(C)c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1472798723 VCLUCVWJDKZXHR-NSHDSACASA-N 383.474 -0.168 30 20 GBED N#Cc1cc(-c2nn[nH]n2)c(SCC(=O)[C@@H]2CCS(=O)(=O)C2)nc1N 1571148419 ZBQKUHPLKYRQSI-SSDOTTSWSA-N 379.427 -0.189 30 20 GBED N#CCNC(=O)CNC[C@H]1CCCN(C(=O)c2ccc(-c3cnn[nH]3)nc2)C1 1577706660 OLCPDCJXWDWAFO-CYBMUJFWSA-N 382.428 -0.052 30 20 GBED O=C(CC(=O)N1CC[C@H]2[C@H]1CCCN2C(=O)C#CC1CC1)NCc1cnn[nH]1 1577766456 RTDQQNCXQOTGHD-CVEARBPZSA-N 384.440 -0.184 30 20 GBED N#Cc1ccc(CCC(=O)NCCn2cc(-c3nn[nH]n3)c(O)nc2=O)cc1 1581869108 IXIQEPTYXZXMSB-UHFFFAOYSA-N 380.368 -0.250 30 20 GBED C=C(C)C[C@@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588406506 VIQXBBWIBZOGPW-AAEUAGOBSA-N 394.457 -0.023 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588504909 MTKVMGFXKOWEGY-BDJLRTHQSA-N 377.405 -0.929 30 20 GBED C=CCC1(C(=O)NC[C@H](CO)Nc2cncc(-c3nn[nH]n3)n2)CCOCC1 1588552973 HMQRCEHPKRWEDZ-GFCCVEGCSA-N 388.432 -0.081 30 20 GBED C[C@H](Nc1nccnc1-c1nn[nH]n1)[C@@H]1CN(C(=O)CSCC#N)CCO1 1603687670 NRMBKGLADIGVSG-QWRGUYRKSA-N 389.445 -0.059 30 20 GBED C#CCNC(=O)[C@@H](C)N1CCC(CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1755178869 ULVWFQFSSSWRHN-JHMPBIJASA-N 375.469 -0.509 30 20 GBED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2 1779440307 VAHSGVIWSPDRMC-ZUJLDJOKSA-N 379.413 -0.477 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)ccn3C)C2)C1 1780101200 BCQSYTSDEHJOSN-QRWLVFNGSA-N 387.436 -0.133 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 1783488718 SUBSSTCOCQHSNC-OHLRXGENSA-N 377.441 -0.146 30 20 GBED CC(C)(C)OC(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557801 LQWBTVQVPFNRHT-SFHVURJKSA-N 380.397 -0.364 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)N(C)C)C[C@@H]21 1784493803 HABGZIIHKXGISK-VGWMRTNUSA-N 396.488 -0.172 30 20 GBED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)n1cnnn1 1784598228 QORVOEVSLNFZFM-YVEFUNNKSA-N 384.400 -0.422 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(C)=O)[C@H]2C1 1790865204 RLYNMHZIDNRTBP-WLGNDBIMSA-N 379.457 -0.471 30 20 GBED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](NC)C(=O)O)C[C@@H]21 1791268553 HEJZUYDRFUUDEY-JONQDZQNSA-N 379.457 -0.168 30 20 GBED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O 1795361464 SLGRSOBRSZNMEL-PTEHBNRSSA-N 380.413 -0.168 30 20 GBED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(O)O)CCO3)c1 1830403427 SCGQEABSCBVQTR-GOSISDBHSA-N 393.371 -0.922 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COCCOC)CCO2 1835248555 QSSNPQJGBQWWIH-IBGZPJMESA-N 382.457 -0.091 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1836297979 OWXVJXMXGVYGGR-RDTXWAMCSA-N 393.444 -0.226 30 20 GBED COCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441727 BCGSFLKPTNYYLD-PYJSORCASA-N 382.461 -0.439 30 20 GBED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(C)=O)CCO2 1839857139 RAHHUUMDTJZDSF-IBGZPJMESA-N 397.472 -0.438 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4[C@H]5COC[C@H]54)CCO3)C2)CC1 1840607157 BUWKFXCHSCJBEF-HRLGVUPISA-N 375.425 -0.361 30 20 GBED C[C@@H](C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1)n1cnnn1 1844303433 ZHWWZMIJULUQDZ-DZTSLHCYSA-N 391.432 -0.034 30 20 GBED Cn1cc(C#N)c(=O)n(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c1=O 11460733 KYGWUHOAQALQSE-CQSZACIVSA-N 394.453 -0.623 30 20 GBED N/C(=N/CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCN(c2ncccn2)CC1 262747799 AXNPJJACMHUDAY-YHUYYLMFSA-N 395.467 -0.280 30 20 GBED CNS(=O)(=O)CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 277220907 NGSULQJMXWZIDX-AWEZNQCLSA-N 379.442 -0.492 30 20 GBED C#Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 298929652 HVJMBWIYGUGERY-UHFFFAOYSA-N 384.436 -0.391 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(n3cc([C@@H](C)O)nn3)C2)cc1 364437074 YXHGFHGIHXGUCT-GFCCVEGCSA-N 389.437 -0.060 30 20 GBED N#C[C@@H]1N(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CCC[C@]12CCCCO2 365097052 CSCPCTUNXNYZQF-JKIFEVAISA-N 398.485 -0.073 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CC)[C@@H](c3ncc[nH]3)C2)C1=O 410882535 IWDOAJYDGIVLEE-HUUCEWRRSA-N 388.472 -0.140 30 20 GBED C=CCn1cc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)nn1 425263692 MDENHQLPINKAQL-UHFFFAOYSA-N 377.474 0.407 30 20 GBED COCCNCCCNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 442182639 QUGITGSFQGIKNI-UHFFFAOYSA-N 385.428 0.128 30 20 GBED C[C@@H]1C[C@H](O)CN1S(=O)(=O)c1cccc(S(=O)(=O)N(CC#N)CC#N)c1 563429782 CIRODSONLTUDPT-OLZOCXBDSA-N 398.466 -0.132 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@H](C)[C@H](CO)C3)CC2)c1C#N 598682348 CMHQBAYKXLGPOK-ZFWWWQNUSA-N 388.472 -0.274 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 646952013 WFJJSUQMZOVVQW-CYBMUJFWSA-N 397.453 -0.226 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)CC1 728534532 MAOOILBBXDPZBY-UHFFFAOYSA-N 393.447 -0.150 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCS(=O)(=O)NCC1CCC1 732463258 LXFVGAGRCAUQEU-CCEZHUSRSA-N 399.473 -0.469 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](Cc2ccccc2)n2nnnc2C)CC1 735655645 UVURNAVRILYVPN-GOSISDBHSA-N 395.467 -0.341 30 20 GBED C#Cc1cccc(NC(=O)CN(C)C(=O)CNS(=O)(=O)c2cn(C)cn2)c1 756032592 GLSYXQOYJJNZAQ-UHFFFAOYSA-N 389.437 -0.223 30 20 GBED C=CCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 772718864 ZFLXMHNUUFHSLA-UHFFFAOYSA-N 377.444 -0.708 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 787777484 LEPJVOAPBLJYRC-UHFFFAOYSA-N 384.318 -0.328 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)[C@H]1CCCO1 809312839 QAQBSARFZQNVAJ-IAGOWNOFSA-N 390.484 -0.704 30 20 GBED COC(=O)C[C@H]1COCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 813664943 CKTXBAVDQZJMRQ-LBPRGKRZSA-N 395.437 -0.094 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc(-c3nn[nH]n3)ccc2OC)c1=O 819759345 UZHZCQADDDJCDF-UHFFFAOYSA-N 397.395 -0.219 30 20 GBED Cn1cnc(S(=O)(=O)NCC(=O)O[C@@H](C(=O)O)c2cccc(C#N)c2)c1 833057590 GIKXUDKYFUZVJC-CQSZACIVSA-N 378.366 -0.061 30 20 GBED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)[C@@H]1CCS(=O)(=O)N1 845373129 NJTZIUUVZIGCPI-ZDUSSCGKSA-N 389.393 -0.083 30 20 GBED C#CC1(O)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 934441787 UMRDYNLGACIJAU-UHFFFAOYSA-N 381.429 -0.662 30 20 GBED C#CCN1CCC(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H](C)C2)CC1 940265593 KVGYKPOFFWYSOF-MXASKKJJSA-N 390.484 -0.672 30 20 GBED C=CCn1cc(C(=O)N(C)[C@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@@H]2O)nn1 958849489 SPADJZFMUXPASQ-WOOFSFRISA-N 375.429 -0.325 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](C)C1 959681405 WJOGALYRSBTVFL-FPCVCCKLSA-N 378.473 -0.685 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)CN3CCCC3=O)C[C@@H]21 960981245 OFVDOMREPASCOU-FXUDXRNXSA-N 377.441 -0.362 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@@H]2O)nn1 964301027 YRTATVMFMGRNBD-PYIKXHKCSA-N 387.440 -0.421 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2c(O)nnc2O)[C@H]1CC 985224306 MXOGERFZPNCPAI-XQHKEYJVSA-N 379.417 -0.224 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2cn(C)cn2)C1 990845145 BEODEDSHPXPWSU-VDERGJSUSA-N 385.428 -0.215 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1O 1023960449 MCHDEYXPUFSRHI-SYQHCUMBSA-N 377.397 -0.339 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(CCNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1055646432 UGXHKSMPKKPGFZ-WCVJEAGWSA-N 378.473 -0.604 30 20 GBED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(C#N)n1 1093055963 BEFNQGXKZDZRRB-LPWJVIDDSA-N 378.458 -0.098 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1101981691 NVTOHYLRVXEQOI-KBUPBQIOSA-N 393.488 -0.403 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(C)nn1 1109229424 TUXSTCDEOYBVSY-OPDFLTKYSA-N 375.433 -0.450 30 20 GBED C[C@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ncn(C)n1 1117489768 ZVERNXGLZISPQC-SWLSCSKDSA-N 395.423 -0.219 30 20 GBED C=C(Br)CNC(=O)C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O 1261151139 MQUFKZTWHGJNBG-YMTOWFKASA-N 387.234 -0.152 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC2CN(C(=O)OC(C)(C)C)C2)CC1 1322568988 KREFKILQESXELV-UHFFFAOYSA-N 392.456 -0.290 30 20 GBED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1323685916 ONSUUXWGZDDFLA-HNNXBMFYSA-N 378.454 -0.086 30 20 GBED CS(=O)(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1323919177 MROUNPJJKHFNCM-UHFFFAOYSA-N 385.467 -0.128 30 20 GBED C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)C(=O)N(C)C 1326779641 XEXBSPKLZMGYFA-QWRGUYRKSA-N 380.426 -0.096 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O 1329182094 GKIHYEQIOVAERK-ZDUSSCGKSA-N 375.516 -0.211 30 20 GBED CN1C[C@H](C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c2ccccc2C1=O 1341806205 XSKFIGHVHDPGKF-GJZGRUSLSA-N 389.433 -0.178 30 20 GBED C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 1353383927 JVBOLTYORPNATO-QGZVFWFLSA-N 377.489 -0.730 30 20 GBED N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1555994850 ZWEMZUDZQBJZJW-JHJVBQTASA-N 394.457 -0.607 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4cnn[nH]4)cn3)C[C@@H]2O)c1 1577712387 LDWOAMFSPIPGFO-CVEARBPZSA-N 392.379 -0.318 30 20 GBED N#Cc1nccc(N2CC[C@H](NC(=O)c3cncc(-c4cnn[nH]4)c3)[C@@H](O)C2)n1 1577719028 FZIWVXJLGGPBMR-ZFWWWQNUSA-N 391.395 -0.102 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC2(C[C@H](O)CNC2=O)C1 1581855823 NYMARMDKJCVFOY-KGLIPLIRSA-N 381.396 -0.742 30 20 GBED N#Cc1ccc(NC[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCO2)nn1 1581873663 LAJRTKQFXCRCKZ-NSHDSACASA-N 380.372 -0.190 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2Cl)C[C@@H]1O 1588358713 ZWEQQRFFAZFSMB-WQAKAFBOSA-N 391.819 -0.381 30 20 GBED C#CCOCCC(=O)N[C@]1(CO)CCCN(c2nccnc2-c2nn[nH]n2)C1 1588359639 VILCLLJCOSUMOX-QGZVFWFLSA-N 386.416 -0.856 30 20 GBED C#CCN(CC(=O)O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 1602688383 LRNXLBOMTNPYPU-UHFFFAOYSA-N 395.441 -0.285 30 20 GBED C=C(CCC(=O)O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 1602778163 LJEBPPWFPULBBQ-OKILXGFUSA-N 389.474 -0.094 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1=O 1602862156 FBAQZUIBXBORBT-AWEZNQCLSA-N 383.412 -0.158 30 20 GBED Cc1nc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)ccc1C#N 1606056780 YGIBCHYAOUGTOU-ZIAGYGMSSA-N 379.384 -0.251 30 20 GBED N#Cc1ccc(OCC(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)cc1Br 1630581327 RVYAHEFNEWTZOW-QWRGUYRKSA-N 395.213 -0.255 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)Cc1cnc[nH]1 1643132688 JOASKQRHSNEQBH-LBPRGKRZSA-N 377.426 -0.442 30 20 GBED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1750077400 VEPVHNFEHJACSQ-IOASZLSFSA-N 383.474 -0.073 30 20 GBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cncc(S(C)(=O)=O)c1)CCO2 1783047873 KTZGOOMYELCYSS-QGZVFWFLSA-N 377.422 -0.438 30 20 GBED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CC(=O)NC4=O)[C@H]3C2)C1 1785025908 JIMPVTICIUGZGD-QEJZJMRPSA-N 390.440 -0.516 30 20 GBED CC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)ON=C(C)C)[C@H]2C1 1789957187 KSFILYJVAGDVTK-OEAJRASXSA-N 382.461 -0.097 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(N)=O)[C@H]2C1 1790850942 DFPCYKRDYYSCCR-KKUMJFAQSA-N 393.488 -0.487 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793260179 FJIZRPCJCMDXAE-XRGAULLZSA-N 379.413 -0.946 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)NC(=O)OCC)C2 1793357958 HZRNYTIRFSANGK-JHZZJYKESA-N 399.444 -0.768 30 20 GBED Cc1cn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)c(=O)nc1O 1795424041 ZOFIRJSZPCUTRA-YWVIFJGQSA-N 389.412 -0.849 30 20 GBED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2)N1CCN(C)CC1 1799179355 KGIUIPHCGOUAKI-WCXIOVBPSA-N 391.516 -0.238 30 20 GBED CC(C)(C)n1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)n1 1800773544 OGDSNJDUWNDUMB-FVCICTRLSA-N 388.424 -0.071 30 20 GBED Cc1nc2ccccn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778125 BSBCSHHODBQNMO-ZSBFGKGUSA-N 396.403 -0.066 30 20 GBED NC(=O)CC[C@H](N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200675 QMIWVEYVTWAJJW-CMPLNLGQSA-N 390.400 -0.917 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1831434005 PJARXWOASNOJMN-KXBFYZLASA-N 397.472 -0.440 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1832458334 MHRAUGAIIOHHDW-QGZVFWFLSA-N 395.485 -0.346 30 20 GBED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835575485 RUCZTRRIROXYFO-KXBFYZLASA-N 393.488 -0.306 30 20 GBED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2 1839165879 YETVGASQPHPGHC-LPHOPBHVSA-N 379.457 -0.229 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1840158374 KUXFMDMYTCHOHS-ACJLOTCBSA-N 395.481 -0.226 30 20 GBED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 255153275 JDHKEXXFVLTGRI-UHFFFAOYSA-N 384.465 -0.024 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H](O)CN2CCOCC2)c1 267553775 BWIRQOYSLYPHHG-MRXNPFEDSA-N 395.481 -0.637 30 20 GBED C=C[C@@H](CO)NC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)OC 290185694 ZOKXJQVFNXNCLR-LBPRGKRZSA-N 377.397 -0.089 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(=O)N(C)C1 349444081 CENVPJZFHZHIOQ-LLVKDONJSA-N 386.455 -0.361 30 20 GBED CC1(C)CNC(=O)CN1S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 349479781 JTKZCTZGXQJBLX-UHFFFAOYSA-N 386.455 -0.612 30 20 GBED CN(CC(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)Nc1ncn(C)n1 349486123 AHPWYCLIXQQAIC-UHFFFAOYSA-N 378.480 -0.242 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C#N)C(C)(C)C)CC(=O)N1 349498948 JSUDGTYOCRKFGP-NEPJUHHUSA-N 394.519 -0.616 30 20 GBED CC(C)(C)n1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)n1 349506379 TWTRTIFFNCLAQD-UHFFFAOYSA-N 390.491 -0.050 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nn(C)cc2C#N)CC1 349533315 DAFHNLJLDXMWFO-UHFFFAOYSA-N 390.491 -0.999 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC)C1 372151841 ZZZSMBOXPSVESQ-GFCCVEGCSA-N 383.401 -0.074 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H](N)[C@H]4C3)CC2)c1C#N 423450081 SHJOEQINAXLFDL-BHYGNILZSA-N 399.499 -0.165 30 20 GBED N#CCCCS(=O)(=O)NCCN1CCN(S(=O)(=O)CCCC#N)CC1 428098079 GZWFSIKDJSVVQH-UHFFFAOYSA-N 391.519 -0.539 30 20 GBED C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 554649063 AOIOXONMXCRQQY-AWEZNQCLSA-N 384.444 -0.527 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)C)cc1 579978766 DBNPYHKCZJVIBQ-QWRGUYRKSA-N 388.471 -0.368 30 20 GBED CCN1CCN(C(=O)CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 592948540 BFMBLGNDHROECB-UHFFFAOYSA-N 393.469 -0.883 30 20 GBED CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)C(=O)O 594537812 HZUQBYXHNWUKOL-QWHCGFSZSA-N 388.428 -0.142 30 20 GBED Cc1ccc(C(=O)NC2CCN(CC(N)=O)CC2)cc1S(=O)(=O)NCC#N 726883980 QPBCCBDFADTVSC-UHFFFAOYSA-N 393.469 -0.524 30 20 GBED Cc1ccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)s1 727164459 PFUVPJDCQRFDDU-UHFFFAOYSA-N 394.503 -0.144 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CC1 728533461 JUFNGGZZQBPJBW-HNNXBMFYSA-N 396.451 -0.782 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)OCCn2cnc([N+](=O)[O-])n2)cc1 749078580 AOZKYPPDUXCPCT-UHFFFAOYSA-N 379.354 -0.045 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)O)ccc2F)CC1 825687468 LJKATWZLPHRKRC-UHFFFAOYSA-N 392.387 -0.091 30 20 GBED Cn1nncc1CNS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 848942464 LREYJLRWFZCMAK-UHFFFAOYSA-N 396.454 -0.372 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ccon1)[C@H]1CCCO1 848963271 OGADQEHBNBBLCI-NWDGAFQWSA-N 377.444 -0.093 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cnc(Cl)c(C)c2)CC1 872515269 KMRSVAYQKVOFPW-UHFFFAOYSA-N 392.890 -0.183 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@@H]1O 964610800 QNMOPBVIHKRGQR-WCVJEAGWSA-N 379.457 -0.332 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1c(O)nnc1O 1000566501 HRCOYPONYHPXNF-BNDIWNMDSA-N 377.401 -0.472 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C(=O)NC)nc2)C1 1024801146 TWOSJFJNVAYLNW-MIGQKNRLSA-N 388.424 -0.666 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(OC)nc(OC)c2)C[C@H]1O 1025709578 QOXYXRGQJJDQGX-TUVASFSCSA-N 391.424 -0.009 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nnnc2C(C)C)C[C@H]1O 1025711134 GRVCBZXIDWXPTA-SYQHCUMBSA-N 378.433 -0.925 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCCCOC)C[C@@H]1O 1220512775 FQKWHGGGTGMOOB-DFGXFYAUSA-N 383.489 -0.328 30 20 GBED CCN1C(=O)[C@@H]2CN(C(=O)C(=O)NCC3CCC(C#N)CC3)CCN2C1=O 1324401589 ZSEATKAGWGYNQV-RUXDESIVSA-N 375.429 -0.073 30 20 GBED CN1CCN(CC2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)CC1 1325089865 SVUFDHYYSWRBBV-UHFFFAOYSA-N 391.497 -0.569 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1)[C@H]1CCCO1 1325472957 DGIOTMIOAOXBLR-UKRRQHHQSA-N 389.412 -0.475 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(OCCN(C)C)CC1 1325698053 RJTPTIJMFFROHZ-UHFFFAOYSA-N 375.491 -0.727 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1328163473 BBDCDAXKVLVYJW-LSDHHAIUSA-N 393.421 -0.924 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3[C@H]4CC[C@H]3CC(=O)NC4)CC2)c1C#N 1335085772 NQXIKAJCSQYMQX-KBPBESRZSA-N 399.455 -0.872 30 20 GBED CN(CC1(N(C)C)CCC1)C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1342096321 IKJTYPPFKXKXAG-PFONDFGASA-N 377.445 -0.428 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCC(C(=O)N3CCOCC3)CC2)CC1 1346152568 LZPUFHMTWLYAHT-UHFFFAOYSA-N 392.500 -0.150 30 20 GBED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C(=O)N2CCC[C@](C)(C#N)C2)C1=O 1347029226 VYQHKDZGMLAITB-PJSAGSTRSA-N 375.429 -0.025 30 20 GBED C=CCn1cc(C(=O)N2CCC[C@H]2CN=c2cc[nH]c(-c3nn[nH]n3)n2)nn1 1573348195 NVKNKBGODZAASM-NSHDSACASA-N 381.404 -0.427 30 20 GBED C=CCC[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588577309 GBIHAALIXGZPSL-LBPRGKRZSA-N 380.430 -0.412 30 20 GBED C=CCOCC(=O)N1CCC(O)(CN=c2cc(C)[nH]cc2-c2nn[nH]n2)CC1 1588667037 QCNAHYZODLPUCS-UHFFFAOYSA-N 387.444 -0.040 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC(O)(CC#N)C1 1589972984 CUJYVBKIWXJENR-SNVBAGLBSA-N 391.413 -0.980 30 20 GBED CN(CCOCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1nccnc1C#N 1591110217 CBOUCMAMOGUAGQ-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED N#Cc1cc(F)cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)O)c1 1601089467 KKOISSBPCNSFCP-LLVKDONJSA-N 376.387 -0.040 30 20 GBED CO[C@]1(C(=O)O)CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 1606696889 PBZKTEGBPZVMDI-BDJLRTHQSA-N 381.410 -0.073 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)CC(N)=O)CCO2)C1 1778968273 OKPGAFXJNWXPMW-BIENJYKASA-N 381.473 -0.099 30 20 GBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)c2cc(C)on2)C1 1779434527 AIRPUTFTQKNIMP-DNVCBOLYSA-N 388.424 -0.140 30 20 GBED CC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1783139862 FWYRKPKTPPXXFN-KDCXGNEQSA-N 376.413 -0.336 30 20 GBED CN(C)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)nc1 1783557419 LPENMVJDSYJLDZ-LJQANCHMSA-N 386.408 -0.321 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3cccn3cn1)CCO2 1783561929 QOSSICCFIKKVSV-LJQANCHMSA-N 382.376 -0.134 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1783565434 UEAOPMDJMNPYDV-GOSISDBHSA-N 383.364 -0.739 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1783924291 OZKUVIRUGSQBQP-QZTJIDSGSA-N 381.429 -0.018 30 20 GBED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](NC)C(=O)O)[C@H]2C1 1786899424 CPDJFBLDLLEOFF-VGWMRTNUSA-N 379.457 -0.168 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C[C@@H]21 1790792270 GACYLDILMAZBAB-MPGHIAIKSA-N 396.447 -0.047 30 20 GBED C[C@@](O)(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)C(F)(F)F 1791072698 VSUXROBLLNVRTR-USXUVBGUSA-N 392.330 -0.633 30 20 GBED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1791267359 UNSJOVFNEDFRFB-AJNGGQMLSA-N 390.440 -0.632 30 20 GBED NC(=O)CC[C@H](N)C(=O)NC1(c2ccc(NC(=O)C#CC(=O)O)cc2)CCC1 1791444570 IKZWNGZXFBVNNQ-AWEZNQCLSA-N 386.408 -0.199 30 20 GBED C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1792922847 RZHFSRUQZYCGNX-DFGXFYAUSA-N 392.500 -0.063 30 20 GBED COC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)C1 1792972821 UGMNBAJUBOLXOV-XKSGDERDSA-N 392.408 -0.747 30 20 GBED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)[C@@H](N)CN)c2c1 1796782987 JUUNQTHGKBHINA-XFMPKHEZSA-N 381.440 -0.028 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)N1CCOCC1 1798484733 JXFUUFKBNHZCNJ-RNGZQALNSA-N 379.457 -0.687 30 20 GBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1800982329 BTVUITSPOYFGQE-DYNIEEOBSA-N 383.430 -0.301 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncnn4C)C3)C2)C1 1829665171 UNNCNWTUHWKIGX-SFHVURJKSA-N 375.429 -0.149 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4nccn4)C3)C2)C1 1829670540 BAIKTZMPUXRMSL-SFHVURJKSA-N 375.429 -0.299 30 20 GBED Cn1nccc1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1834214433 FWJNCNRZZRVHHY-UHFFFAOYSA-N 387.440 -0.307 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839625180 HAVDHBUPHAYZKR-SFHVURJKSA-N 387.371 -0.428 30 20 GBED CCS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840157355 MANVOOXNLJURJP-IUODEOHRSA-N 394.515 -0.804 30 20 GBED CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840161139 FLKITSVKCAHOLL-MLTMRYFHSA-N 392.543 -0.080 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc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c1ccc2c(c1)N(C(=O)C(=O)NC[C@H]1CCC[C@]13NC(=O)NC3=O)CC2 433631793 HKZRCUVNBFIQHK-YJYMSZOUSA-N 381.392 -0.058 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(O)CCN(C)CC1 482518999 LMXVXYVHJPDADN-CYBMUJFWSA-N 380.470 -0.202 30 20 GBED CCN1CCN(CCCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 518842830 HTVDDHSIULKVFZ-UHFFFAOYSA-N 393.513 -0.020 30 20 GBED Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCCC2)n(CC(N)=O)c1=O 532620035 GHVQOAQSTPJVCW-UHFFFAOYSA-N 399.476 -0.219 30 20 GBED C[C@@H](CCN1CCN(C)CC1)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 571815799 UIDUEZYXZPMHMZ-HNNXBMFYSA-N 393.513 -0.021 30 20 GBED COC1(CO)CCN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 594533571 OONPRBKFMFAGIU-UHFFFAOYSA-N 387.440 -0.398 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 646955357 XFBINYBLXOXIAD-HNNXBMFYSA-N 386.452 -0.097 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@H](CN3CCCC3=O)C2)C1=O 658675886 CPYHWVSHUGBMCJ-HUUCEWRRSA-N 376.457 -0.297 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)OCCCN2C(=O)CNC2=O)cc1 733418706 XKFUEVRGGQXKKT-UHFFFAOYSA-N 394.409 -0.023 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745483001 PTNHVMHHUZMCPA-RDPWRUBZSA-N 377.397 -0.254 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2cnc3ccc(Cl)cn23)c(=O)n(C)c1=O 771889933 CKAHWQHYWZWEMS-UHFFFAOYSA-N 396.816 -0.303 30 20 GBED CC(C)[C@@H](CNC(=O)C(=O)NCCNc1ncccc1C#N)N1CCOCC1 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384.392 -0.103 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 957045834 UJUIQYPENFRMPQ-OEUWWYETSA-N 392.456 -0.175 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@@H]1O 964490588 WTAYVZYSPHDQMG-DNMXQMFDSA-N 389.456 -0.175 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CCO2)C1 965488875 JFNONTNVGHHOBD-CBBWQLFWSA-N 393.440 -0.950 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)Cn3c(O)nnc3O)C[C@]2(C)C1 993201228 DBAGDIPVYUXICF-CVXDAYKESA-N 391.428 -0.413 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)c[nH]c2CC(N)=O)C1 1025763921 KQLUECKFSHLKCI-NGFQHRJXSA-N 390.440 -0.756 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CO)(NC(=O)[C@H]2OCCO[C@H]2C)CC1 1080901942 YXXDFOLLAKKZEU-FZKCQIBNSA-N 382.457 -0.149 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2nnc3n2CCOC3)C[C@@H]1O 1083470822 PLAHKIYKDPJZCR-KBXIAJHMSA-N 377.445 -0.549 30 20 GBED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2)CC1 1117191709 NNUCABYJEWNWKC-QGZVFWFLSA-N 383.452 -0.061 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCCNC(=O)c2cc[nH]n2)CC1 1261180419 CPMKAHQRVGEVEI-UHFFFAOYSA-N 395.423 -0.524 30 20 GBED COc1ccc(OC)c2c1CN(C(=O)C(=O)N1CCO[C@@H](C#N)C1)C[C@H]2O 1261304177 KKFVWGKBXLDASV-WCQYABFASA-N 375.381 -0.170 30 20 GBED CC(C)OC[C@@H](CO)N(C)C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1325456837 BYUXGAPJRUCUIL-MRXNPFEDSA-N 389.456 -0.154 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc3c(c2)C(=O)NCC3)C1=O 1327420819 SYCQCPYIILTRMI-MRXNPFEDSA-N 384.436 -0.166 30 20 GBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCN(c2snc(C)c2C#N)CC1 1328784326 BYTOWYNPCCWCTO-CHWSQXEVSA-N 393.469 -0.420 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC1CCN(c2nccs2)CC1 1341032481 UBWRYHSRZFOBST-UHFFFAOYSA-N 386.499 -0.055 30 20 GBED COC(=O)C1(C#N)CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 1467993149 XWEFLABTGAEFCI-HNNXBMFYSA-N 392.456 -0.528 30 20 GBED C[C@H](C#N)C(=O)N1CCC[C@@H](N(CCO)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573568173 YWSQFODWHJWELH-DGCLKSJQSA-N 386.416 -0.220 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC(=O)N1 1574967881 YVSWEHUSOSZROW-CYBMUJFWSA-N 397.443 -0.563 30 20 GBED N#Cc1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)cn3)C[C@@H]2O)c[nH]1 1581865471 KHTONRLXOYGUPM-KBPBESRZSA-N 379.384 -0.169 30 20 GBED C#CCOCCC(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588362290 YVNJPNRRTAYQDS-LBPRGKRZSA-N 387.400 -0.808 30 20 GBED C=CCOCC(=O)N[C@@H](C)[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1588672138 SEYNZZTWZOFABK-SMDDNHRTSA-N 389.416 -0.257 30 20 GBED CN(C)[S@](C)(=O)=NC(=O)CSc1nc(N)c(-c2nn[nH]n2)cc1C#N 1591024897 KLKZWFZUBJEAAL-RUZDIDTESA-N 381.447 -0.091 30 20 GBED CN(C[C@@H](O)CNC(=O)CSCC#N)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1591046466 QNQZDPRSVXHDMO-JTQLQIEISA-N 378.418 -0.999 30 20 GBED N#CCNC(=O)CN1[C@H]2CCC[C@H]1CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 1592677380 CUKAOUZTUMWOOS-STQMWFEESA-N 383.416 -0.487 30 20 GBED C#CCC[C@@H](O)CNC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1602703078 LMELLHHRWNFCCZ-GFCCVEGCSA-N 378.414 -0.965 30 20 GBED C=CCn1cc(C(=O)N2CC[C@H]3CN(c4cnc(-c5nn[nH]n5)cn4)C[C@H]32)nn1 1602882288 GZNKWWLWKNNSPY-SMDDNHRTSA-N 393.415 -0.215 30 20 GBED N#Cc1cn(CC(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)c(=O)nc1O 1624598857 WJCRKVQFFQRFOJ-CQSZACIVSA-N 381.392 -0.015 30 20 GBED CN(CCS(N)(=O)=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1634187881 ITCSSCWZJPAWIP-CQSZACIVSA-N 379.442 -0.016 30 20 GBED N#CCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)cc1 1781045504 RGRHXMALSAWFHI-BBTUJRGHSA-N 398.463 -0.081 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(N)=O)C1 1783280611 DNXKEISWHZVLTI-HBUWYVDXSA-N 380.445 -0.793 30 20 GBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1cnccn1)CCO2 1785423876 GJHXPUGNTUBLLJ-MGPUTAFESA-N 399.451 -0.162 30 20 GBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1785424692 HTVXLQKDMLTBDO-YLJYHZDGSA-N 376.501 -0.134 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnn1C 1794228433 BMBTUXMSDPKKLQ-GUIRCDHDSA-N 378.433 -0.181 30 20 GBED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(=O)n3[nH]cnc3n2)C1 1795726717 AXRMWEFISPLYSY-YWVIFJGQSA-N 398.423 -0.413 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC)nn1 1798368296 QVAMLPRNXMHCDJ-ZJOBFFGXSA-N 388.424 -0.273 30 20 GBED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2)C(F)(F)F 1800548484 IAEQXZLFUYKDKG-NOHGZBONSA-N 392.378 -0.713 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)[C@@H]1c1cccnc1 1812882311 KOJXRYHPQOUBOX-ZUEVXXBESA-N 398.419 -0.298 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1831484833 GMZJJSJXMYOSIQ-WMLDXEAASA-N 397.501 -0.161 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1831499913 VYYJGFKDBNCELA-YJBOKZPZSA-N 385.530 -0.041 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csnn3)CCO2)C1 1831743059 DYXZLFIMOJOZBO-GUYCJALGSA-N 394.453 -0.354 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn(C)c1=O)CCO2 1831895931 ZFXWBVRPNFVFBS-HXUWFJFHSA-N 387.436 -0.131 30 20 GBED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1832290312 YVERAZKOZNTJPG-IBGZPJMESA-N 392.456 -0.385 30 20 GBED COCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838735193 YUNYMFBWOVWPFH-GOSISDBHSA-N 376.413 -0.007 30 20 GBED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1)C(F)(F)F 1839860967 XYGSFVQVGIEESW-HNNXBMFYSA-N 393.362 -0.303 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O 1848067606 MNJANJIIYIKQCK-RWMBFGLXSA-N 378.429 -0.687 30 20 GBED C/N=C(/NCCNS(C)(=O)=O)N1CCS(=O)(=O)C2(CCCCC2)C1 262766559 GETVUDKGMKMHMR-UHFFFAOYSA-N 380.536 -0.456 30 20 GBED CC(C)CCNC(=O)C1CCN(C(=O)Cn2c(=O)c(C#N)cn(C)c2=O)CC1 270542657 CPHTTXMLSMAGJU-UHFFFAOYSA-N 389.456 -0.180 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCCn1c(C)nnc1S)c1cc[nH]n1 276511487 BHKIOMUXQQKSFB-UDWIEESQSA-N 381.418 -0.301 30 20 GBED COc1ccc(N2CCN(C(=O)Cn3c(=O)c(C#N)cn(C)c3=O)CC2)cc1 294981925 PGFVKRZSPMNESU-UHFFFAOYSA-N 383.408 -0.224 30 20 GBED CCN(CCOCCO)C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 297963164 VJUJEUYSRBYBBP-UHFFFAOYSA-N 375.429 -0.541 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)NC)CC2)cc1 299210645 NNIOBAYMROXGNX-UHFFFAOYSA-N 380.470 -0.345 30 20 GBED CCNS(=O)(=O)[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 330637267 GAEDNEPKRBNSBP-CVEARBPZSA-N 385.534 -0.308 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CC(=O)N[C@H](C)C1 349479231 IUJRNWWSQGXWFH-WDEREUQCSA-N 386.455 -0.614 30 20 GBED N#CCCn1ccc(NC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1 368017597 FQLFNPRTWRGGIO-AWEZNQCLSA-N 396.473 0.455 30 20 GBED C=CCCCN(C)C(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 410493862 WXPXMXKZVVVERJ-MRXNPFEDSA-N 380.489 -0.198 30 20 GBED COCCCNC(=O)[C@H](C)N1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1 438309143 XPFFUMXDHXPGKF-HNNXBMFYSA-N 391.476 0.487 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1cc(C#N)ccc1C 498878021 WTTZHNVUQNNYCJ-CQSZACIVSA-N 395.437 -0.065 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@H]2COCCN2)CC1 529376365 UQKCQXMUDYEOMR-OAHLLOKOSA-N 393.469 -0.437 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCn1cccnc1=O 593897066 NDPJWEBJFXWQLB-ZDUSSCGKSA-N 389.437 -0.012 30 20 GBED COC1(CO)CCN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 594545400 OJBDLLBGDVZNJX-OAHLLOKOSA-N 388.424 -0.067 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)CC2)nc1 595266548 UFKKAIGSUCOMIM-JKSUJKDBSA-N 383.456 -0.125 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 619711160 KSXHVXAUJGIQAT-TZMCWYRMSA-N 384.462 -0.390 30 20 GBED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nn[nH]n1 732158131 UCWXUTGNFBCWET-NSHDSACASA-N 377.430 -0.031 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(CS(N)(=O)=O)c2)CC1 733149898 XBWRPRDWUULBNW-UHFFFAOYSA-N 392.481 -0.628 30 20 GBED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(CC#N)CC(=O)O 738062178 RSXSQAIWTJXFJP-UHFFFAOYSA-N 397.409 -0.234 30 20 GBED Cc1ccc(C(=O)N(CCN(C)C)CC(=O)O)cc1S(=O)(=O)NCC#N 740107170 YYSIZXMLFXYQQA-UHFFFAOYSA-N 382.442 -0.115 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 761024886 REIJEWAYVGKHOH-HNNXBMFYSA-N 380.474 -0.999 30 20 GBED CCS(=O)(=O)N[C@@H](CCSC)C(=O)OCCn1ncc(C#N)c1N 771598541 CKBVEGLTSFLGSY-NSHDSACASA-N 375.476 -0.059 30 20 GBED C#CCn1ccc(CN(CCOC)C(=O)NCCCN(C)S(C)(=O)=O)n1 788876036 VEEMSEZWRDMZID-UHFFFAOYSA-N 385.490 -0.044 30 20 GBED C#CCNC(=O)CN1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 819701857 OLNWUGXXXNHHCC-UHFFFAOYSA-N 385.388 -0.569 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)ccc3F)CC2)CC1 821546188 ATTCWUDHWNXHNF-UHFFFAOYSA-N 395.460 -0.053 30 20 GBED C#CCNC(=O)CN1CCN(C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 846798060 XRAGCCAIUQSNFY-IBGZPJMESA-N 380.489 -0.275 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H](O)C2)cc1 848529107 SUJPVOYWTFKNED-CJNGLKHVSA-N 397.478 -0.165 30 20 GBED Cn1c(=O)ccn(CC(=O)[C@H](C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1=O 916964119 ADKRQTLQNCXKBE-LBPRGKRZSA-N 384.348 -0.334 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)c(C)cc2=O)C1 966773929 SLEKCLOGOPKPGJ-WCZJQEMASA-N 389.452 -0.024 30 20 GBED C#Cc1ccccc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1025063105 XGHBEQGWGJMHCG-WXRGLTTHSA-N 398.459 -0.050 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC(=O)NC)CC1 1070379543 PSFPIEZCIPXUEL-JEWRLFTDSA-N 392.500 -0.201 30 20 GBED C#CCO[C@@H](C)C(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1074654616 UPLDWBOVMCHWPS-NEXGVSGLSA-N 376.453 -0.082 30 20 GBED C=CCNC(=O)NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1C 1106669929 OKNWVXNIDURQKX-APIJFGDWSA-N 393.488 -0.416 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(-c2cccnc2)nn1 1109378308 REVLGBNJXMKYSC-KMFMINBZSA-N 379.424 -0.253 30 20 GBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCC(=O)NC1=O 1111241912 IHALUNVTKCLPES-SYQHCUMBSA-N 377.445 -0.660 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCNC(=O)[C@H]1CCCO1 1111509233 ZACICOOTLYAQCW-LVQVYYBASA-N 378.473 -0.305 30 20 GBED CC(=O)NCCCc1nn(C)c(NS(=O)(=O)[C@@H](C)C(=O)N(C)C)c1C#N 1257206977 MUUKZVGBFLBZMD-JTQLQIEISA-N 384.462 -0.421 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@H]2CCOC[C@H]2OCCOC)n1 1325213594 MGSUTIBOQRVWLG-DLBZAZTESA-N 392.456 -0.199 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)nn1 1326701949 MYWKAKPZOZWIDD-CYBMUJFWSA-N 397.439 -0.426 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC([C@H](O)c3ccnn3C)CC2)C1=O 1334842465 XTZOCFAOOSOLFB-HNNXBMFYSA-N 389.412 -0.331 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1342099742 PUANZMFKWIGHNY-WJDABAKZSA-N 376.413 -0.274 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)CCO1 1344755992 IQWZEXRDFRQCJB-INIZCTEOSA-N 391.472 -0.670 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCN(CC(C)C)C(=O)[C@H]2C)CC1 1344840360 UDDSECZDLGJMNZ-OAHLLOKOSA-N 390.484 -0.310 30 20 GBED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCN(C)C1 1508412359 PVIQKKRPHRDUJC-XJKCOSOUSA-N 399.521 -0.449 30 20 GBED C[C@H](C#N)C(=O)N1CCC(N(CCO)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1573565988 YSGXDNPOZHGVHX-LLVKDONJSA-N 386.416 -0.220 30 20 GBED CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1579859869 WGZQQDGQRIZVDZ-CHWSQXEVSA-N 380.372 -0.510 30 20 GBED Cc1c(C#N)c(=O)n(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)c(=O)n1C 1580526176 KJOKNQPPWYZMEN-UHFFFAOYSA-N 380.368 -0.776 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)CCO2)c1 1581862902 QAYNSBASVYXFKL-LLVKDONJSA-N 380.372 -0.508 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)CNc1cccc(F)c1-c1nn[nH]n1 1588351189 IMWJJIFZQWTFPS-WFASDCNBSA-N 387.419 -0.008 30 20 GBED C#CCNC(=O)CN1C[C@H]2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]1C2 1588354534 PCTCMYZNMMVEAU-IACUBPJLSA-N 382.428 -0.473 30 20 GBED C#CCN(CC(=O)O)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1588399390 JTGINHWUABNETJ-HZSPNIEDSA-N 384.454 -0.358 30 20 GBED N#C[C@@]12CN(C(=O)COc3ccccc3-c3nn[nH]n3)C[C@H]1CS(=O)(=O)C2 1592681450 VVQLQJKXLGCKSU-ZBEGNZNMSA-N 388.409 -0.358 30 20 GBED C#CC[C@H](NC(=O)c1cccc(C(=O)N[C@@H](CC#C)C(=O)OC)c1N)C(=O)O 1602692963 AEDUAOKLIOWGJP-KBPBESRZSA-N 385.376 -0.230 30 20 GBED C=CCOC[C@@H](NC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21)C(=O)O 1602909431 WKKUBAFRUFXDKV-CYBMUJFWSA-N 375.381 -0.045 30 20 GBED N#Cc1ncn(CCNC(=O)N2CC[C@H](Oc3ccc(-c4nn[nH]n4)cn3)C2)n1 1606398692 SIZMVFDUSDZHKS-LBPRGKRZSA-N 395.387 -0.412 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CC[C@](F)(C#N)C1 1609125792 QBCJKYGNBOBMED-BMIGLBTASA-N 393.404 -0.002 30 20 GBED COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1749844975 PHMGIGUILSYQDX-QWHCGFSZSA-N 386.478 -0.147 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnc(O)nc2O)CCO3)c1 1780334604 LZRSMTQIUOPMOY-GOSISDBHSA-N 398.379 -0.155 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1781396944 WFXWUQRZUDXAMK-LLDVTBCESA-N 382.461 -0.660 30 20 GBED N#CCCC(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782673181 MHXPMCNRKUHXRI-KRWDZBQOSA-N 375.385 -0.305 30 20 GBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1c(=O)n(C)c3ccccc31)CCO2 1783050668 ZEANUBFIBUZCNK-HXUWFJFHSA-N 382.420 -0.197 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)CCC(N)=O)C2)C1 1783152929 XLVYVRUOBVPWID-GOSISDBHSA-N 379.461 -0.636 30 20 GBED CC(C)(C)OC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1783401906 XNPXRCYBEQTGER-SFHVURJKSA-N 395.412 -0.571 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1783566987 ORPZPHFSRSLDGN-INIZCTEOSA-N 378.772 -0.339 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)CC)C[C@@H]21 1784477493 DZQOUHCZOQFGPZ-WOYTXXSLSA-N 393.484 -0.081 30 20 GBED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCNC4=N)[C@H]3C2)CCC1 1786844766 RHNWEEXUOUWURI-KKUMJFAQSA-N 388.472 -0.500 30 20 GBED CCOC(=O)C1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CC1 1791077582 LANSFLSFNXLRKH-IHRRRGAJSA-N 392.408 -0.603 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)N1CCOCC1)C2 1793822183 GGPIDZUTKALKHR-FSDCSDTHSA-N 399.513 -0.854 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(C)=O)C2 1797709504 KHMCUOKUZBMIGH-JYYAWHABSA-N 381.473 -0.325 30 20 GBED COC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)ON=C(C)C 1799396282 PWTGGRDYMXPYRQ-XPCVCDNBSA-N 384.433 -0.267 30 20 GBED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OCC)C2 1800490144 LLKUQQNTVDGTCL-SSZWKKLZSA-N 383.445 -0.147 30 20 GBED CCN1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CC1 1800778746 OPIAZCNIWPLGME-JLVBRIDZSA-N 377.441 -0.604 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1cnnn1 1801435248 PAEQZSZRPNKJKA-ZQNQSHIBSA-N 378.433 -0.585 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822607526 MBESWJVAUKOKGF-NMKXLXIOSA-N 392.481 -0.184 30 20 GBED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2CCC(=O)N2)CC1 1826665659 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30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1839810347 SBIDGUOUPGTVRA-FQEVSTJZSA-N 383.404 -0.116 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1839838064 GVHMZTCARNJSRU-DNVCBOLYSA-N 396.488 -0.074 30 20 GBED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1839887115 VKNAKGHZTMLOBH-INIZCTEOSA-N 389.399 -0.210 30 20 GBED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1)C(F)(F)F 1839894007 CZAXQOMKXWKSMW-OAHLLOKOSA-N 396.362 -0.430 30 20 GBED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c[nH]1 1840042928 WVNSRRPSHACSDJ-SFHVURJKSA-N 375.381 -0.519 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1840170713 VQKBNJSEVSDAIG-QAPCUYQASA-N 390.444 -0.506 30 20 GBED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840295537 UVAHCOKHYOKJOO-IBGZPJMESA-N 376.409 -0.276 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1840409374 ZHVGAOQDOYUOGT-GOSISDBHSA-N 389.412 -0.384 30 20 GBED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3CC(=O)NC3=O)C2)cc1 1841892265 PPPVJIUMPXGGSQ-UHFFFAOYSA-N 381.392 -0.073 30 20 GBED O=C(C/N=C/c1ccco1)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844296075 HZSFCUGYINHHPH-MLHZQLSASA-N 390.440 -0.448 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3nn(C)c(=O)cc3C2)cc1 266672512 JRSNXRXISLZBHQ-UHFFFAOYSA-N 386.433 -0.110 30 20 GBED C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 271855932 NBHNCZKWUMFJDG-NSHDSACASA-N 376.417 -0.500 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O 281755810 JQFCWNUETCOLDM-ZDUSSCGKSA-N 384.462 -0.470 30 20 GBED N#C[C@@H]1COCCN1S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O 289088176 IBTHHJSQPCXYHN-CYBMUJFWSA-N 393.421 -0.147 30 20 GBED COC[C@H]1CN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C[C@@H](C)O1 298186727 VWHDFSRUDJKIOD-GDBMZVCRSA-N 387.440 -0.136 30 20 GBED CC(=O)N1CCN(C(=O)CC/N=C(/O)N[C@H](C)[C@@H](C)N2CCOCC2)CC1 329209605 CFRRAHXGOZIYRU-HUUCEWRRSA-N 383.493 -0.320 30 20 GBED CC(=O)N1CCN(C(=O)CC/N=C(/O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)CC1 330089285 VTAKCAAHZPJGQO-CYBMUJFWSA-N 376.417 -0.200 30 20 GBED CNS(=O)(=O)CC/N=C(/O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 331265201 PHZZSALEMKGQLZ-CYBMUJFWSA-N 375.495 -0.922 30 20 GBED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 367165675 PAICTROFDIGTAB-UONOGXRCSA-N 396.535 -0.162 30 20 GBED Cc1nn(C)c(N2CCN(CC(=O)NCC(=O)NC(C)(C)C)CC2)c1C#N 472150721 FJSDCAFCMWXKAK-UHFFFAOYSA-N 375.477 -0.247 30 20 GBED CN(CCC#N)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 472756964 ULQWHXRQCZOSDT-CQSZACIVSA-N 381.458 -0.731 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)Cn3ccnc3S(C)(=O)=O)CC2)o1 476478521 BDCAOUKSDZPFNH-UHFFFAOYSA-N 378.414 -0.197 30 20 GBED CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3(C#N)CC3)cc2)CC1 517041619 WFGHRCKFYUUABD-UHFFFAOYSA-N 384.483 -0.043 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)O1 527842335 JNFRYAWTKZEWAH-OLZOCXBDSA-N 390.400 -0.977 30 20 GBED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)c1 572735880 GVKKXTAZHYVRCM-APVVIDPYSA-N 397.478 -0.122 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NC2(C(N)=O)CC2)cc1 573386954 VVCUCLNNVJWZCH-JTQLQIEISA-N 386.455 -0.437 30 20 GBED CC(=O)N1CC(NS(=O)(=O)c2ccccc2S(=O)(=O)N[C@@H](C)C#N)C1 575072686 HXFQDABWLKMRKA-JTQLQIEISA-N 386.455 -0.614 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1nc2n(c1=O)CCCC2 593091515 LPAPDQZYGSCFPX-CYBMUJFWSA-N 382.428 -0.220 30 20 GBED Cc1nc(=NS(=O)(=O)c2ccc(S(=O)(=O)NC[C@@H](C)C#N)cc2)n(C)[nH]1 594629632 KVKORKTVLUJYNV-JTQLQIEISA-N 398.470 -0.216 30 20 GBED N#C[C@@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 597744310 QZNNYSAPFRTNDN-NEPJUHHUSA-N 382.398 -0.004 30 20 GBED CC(=O)NC[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCO1 609794062 VRJLAVZWULIZMC-HNNXBMFYSA-N 394.453 -0.458 30 20 GBED CNS(=O)(=O)Cc1ccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1 619706586 VVSFZTIRULWMFA-CQSZACIVSA-N 388.471 -0.705 30 20 GBED CCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)cn1 732565112 XDJQZQAEGNQFPJ-UHFFFAOYSA-N 387.465 -0.270 30 20 GBED CCN1CCN(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(=O)C1=O 756889938 GYXLXZHRGCVTJS-CHWSQXEVSA-N 393.444 -0.448 30 20 GBED C#CCNC(=O)CN1CCN(c2ncnc3ccc(S(C)(=O)=O)cc23)CC1 764815978 HGCDZOFOCHICQC-UHFFFAOYSA-N 387.465 -0.095 30 20 GBED C#CCNC(=O)c1ccc(N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)nc1 819701444 HOYVUNQHDLVPMZ-UHFFFAOYSA-N 380.416 -0.001 30 20 GBED N#C[C@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CCN1Cc1ccccc1 822806703 RSHPYCXTMMQRJY-AWEZNQCLSA-N 378.400 -0.305 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2c2ncccn2)CC1 831556484 OVCWNXIKLRGCHB-CQSZACIVSA-N 378.458 -0.943 30 20 GBED CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@]1(C)CCOC1=O 848963625 XHPGMIYUMCTXKT-ZIAGYGMSSA-N 393.487 -0.387 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N 850606111 PPWXYIQIVMUZTC-ZKYQVNSYSA-N 381.410 -0.156 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C)c(C(=O)OC)o2)CC1 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OCDIMTICFVNOSR-BUHFOSPRSA-N 377.788 -0.006 30 20 GBED COC(=O)[C@H]1CN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CCO1 1325708446 VPPKNMRPYGPWSJ-ZIAGYGMSSA-N 388.380 -0.667 30 20 GBED COC(=O)COc1ccc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 1515068633 XRGAKXOZGBOSLL-CQSZACIVSA-N 394.405 -0.182 30 20 GBED C=CCn1c([C@H]2CC(=O)N(C)C2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1519552206 SDNJIECYAYOKKO-STQMWFEESA-N 382.490 -0.072 30 20 GBED N#CCSCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1577710129 QDNVUKPTGXJYAY-OCCSQVGLSA-N 377.474 -0.257 30 20 GBED N#Cc1cc(C(=O)NC[C@H]2CN(c3cncc(-c4nn[nH]n4)n3)CCO2)c[nH]1 1581865671 NEMHWCLJQKSIML-LBPRGKRZSA-N 380.372 -0.508 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2cc(C(=O)O)c(C)o2)CC1 1588479558 TWSMCOCRCMTCQV-UHFFFAOYSA-N 375.381 -0.110 30 20 GBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@H]1O 1588611047 PRKSHPQLFQSBIR-MRVWCRGKSA-N 388.432 -0.388 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1602867150 XAFANWYXUWSAPX-PIGZYNQJSA-N 389.416 -0.521 30 20 GBED C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(=O)O)C1 1602901333 FRRFWRCMDNOOSK-LBPRGKRZSA-N 376.417 -0.273 30 20 GBED C[S@](=O)CCN1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)O)CC1 1607385100 NBVOLFRIMJQSMM-DEOSSOPVSA-N 385.467 -0.059 30 20 GBED C#CCSCCNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 1609021729 ZNXSHYZOPZJXQO-UHFFFAOYSA-N 391.461 -0.954 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1778963981 CTVVUYHUBRCYRB-IFXJQAMLSA-N 396.488 -0.339 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1783566596 FGJLHTYGSKXDDY-MRXNPFEDSA-N 378.772 -0.339 30 20 GBED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](COC)NC(C)=O)CCO2 1783906661 FHEAVTJNJREPPM-QFBILLFUSA-N 379.457 -0.229 30 20 GBED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21)c1cnc(O)nc1O 1787428225 NLAWMIMSSZTKFM-QEJZJMRPSA-N 386.408 -0.106 30 20 GBED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC=O)C[C@@H]21 1789892109 KBKNJYRQYHKKBP-UGUYLWEFSA-N 395.456 -0.390 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]2C1 1791261879 ICHUMVYQNIVDMJ-FGPLHTHASA-N 389.474 -0.651 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(C)=O)[nH]n1)C2 1793342692 ZJRZAHATRZCZIN-ZJOBFFGXSA-N 388.424 -0.146 30 20 GBED Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)S)c(=O)[nH]c1C 1800982534 LSLFTIPTSOUBLY-RVMXOQNASA-N 380.470 -0.092 30 20 GBED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@](C)(O)CC(=O)O 1801002287 ZMSNIQYFBWJPHB-ABXQLRGKSA-N 381.429 -0.258 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=COCC3)C2)C1 1831402816 SBYHOMPKZNHHGD-HNAYVOBHSA-N 378.425 -0.215 30 20 GBED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)n(C)n1 1833449572 XUDQCKUIMOARHU-SJKOYZFVSA-N 398.485 -0.183 30 20 GBED COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1834850952 WUYKLVJCEWDUGJ-SFHVURJKSA-N 379.413 -0.300 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836347854 RLODBFUSWLRSBE-SUMWQHHRSA-N 379.417 -0.534 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCC(=O)N4)C3)C2)CCC1 1840812987 WWFHNMBMPKUBDL-KUHUBIRLSA-N 390.440 -0.585 30 20 GBED CC/N=C(/NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)N1CC[C@@]2(CCOC2)C1 261948763 GRGVDFKVDSRIPN-RHSMWYFYSA-N 386.518 -0.242 30 20 GBED C/N=C(/NC[C@@H]1CN(C)CCN1C)N1CCN(CC(=O)N2CCCCC2)CC1 262776528 KEDCQIGNLQIYEN-GOSISDBHSA-N 393.580 -0.562 30 20 GBED N#Cc1cccc(-n2ccc(C(=O)N3CCN(C(=O)Cn4cnnn4)CC3)n2)c1 281567763 KEQOQRPUXYAKJN-UHFFFAOYSA-N 391.395 -0.285 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC2(OCCO)CCOCC2)cc1 291583731 PBNSZZXLNARKGH-UHFFFAOYSA-N 397.453 -0.489 30 20 GBED N#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@](F)(C#N)C1 349494571 LBPBBWNWDJFNRW-CYBMUJFWSA-N 378.451 -0.038 30 20 GBED C[C@@H](O)C(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 498786819 ZNLGZTNSMGSQKI-CYBMUJFWSA-N 394.453 -0.770 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)C2=O)cc1 546851720 ZZEKFCGTRVVATK-HUUCEWRRSA-N 396.407 -0.001 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@@H](O)[C@H]32)CC1 550657807 TZWQYOLEFKEYHU-FPTNSQMJSA-N 388.512 -0.261 30 20 GBED C[C@@H](O)CCNS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 565227731 CWZUPYMUAGNYKR-GFCCVEGCSA-N 386.455 -0.226 30 20 GBED C[C@H](C(=O)N1CCOCC1)N1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 566245447 KFWMFLOTRJGWCY-OAHLLOKOSA-N 383.456 -0.034 30 20 GBED CNCCCc1[nH]nc(NC(=O)CNS(=O)(=O)c2cccnc2)c1C#N 567402174 FXDQBHXVVFTEFC-UHFFFAOYSA-N 377.430 -0.255 30 20 GBED CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCNCC(=O)NCC#N 569716648 RJLQYDJGIXGPMV-UHFFFAOYSA-N 387.483 -0.127 30 20 GBED C[C@@H]1OCC[C@]1(O)CNS(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 570985549 JBYDTRDXHQJMMP-FZMZJTMJSA-N 389.455 -0.693 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCO)CCOCCO 600116234 MGTOUDZBQAMNDE-ZDUSSCGKSA-N 385.442 -0.945 30 20 GBED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCN(CCC#N)CC1 602244912 XNAYNUFDIMYEAU-INIZCTEOSA-N 392.504 -0.897 30 20 GBED CCn1c(N)c(C(=O)CN2CCN(c3ncccc3C#N)CC2)c(O)nc1=O 684616841 NBLSMJMOCJDUDK-UHFFFAOYSA-N 383.412 -0.177 30 20 GBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 756743897 ADSISFQMAZZEBU-RYUDHWBXSA-N 385.446 -0.362 30 20 GBED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2c(C)cnn2C)c1=O 795197688 QBYNYNKCPYJCHR-CYBMUJFWSA-N 399.476 -0.761 30 20 GBED C#CCN(C)CCCNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 815861604 PQNPTMXMTAQWAF-UHFFFAOYSA-N 376.461 -0.775 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)NCc1cccnc1N1CCN(C)CC1 875136026 CTWZSIKYCHNHQF-QGZVFWFLSA-N 387.484 -0.006 30 20 GBED C#CCN1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)CC1 886352080 UKEUMCJNUUNODC-INIZCTEOSA-N 380.489 -0.323 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](C)C1 949431409 BDPYBIRNINNBRK-OLMMMNRUSA-N 392.500 -0.247 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)cn2C)C[C@@H]1O 970702730 ZSWISDHYFMWEGH-UXOAXIEHSA-N 376.413 -0.983 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O 1117587495 VRGLQBWPJZYFOZ-SNVBAGLBSA-N 399.391 -0.675 30 20 GBED COc1c(F)cc(CC(=O)N[C@H]2CCCN(O)C2=O)cc1S(N)(=O)=O 1118377697 CZTXFBJEKMSPGC-JTQLQIEISA-N 375.378 -0.479 30 20 GBED CN1CCN(c2cc(CNC(=O)Cn3cc(C#N)c(O)nc3=O)ccn2)CC1 1136248597 UFPIVUODPZLNME-UHFFFAOYSA-N 383.412 -0.716 30 20 GBED C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 1171943272 PGRWXDKEJUXOIR-UGFHNGPFSA-N 375.404 -0.021 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC[C@@H](C)O1 1218651211 WIQXLBFFPGQQQP-LXTVHRRPSA-N 380.445 -0.523 30 20 GBED C#CCN1CCN(C(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)CC1 1252557832 DFHOGGGHYVKNPF-CYBMUJFWSA-N 398.510 -0.084 30 20 GBED C#CCOCCNC(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 1260309440 LULYVQRMKBVJEC-UHFFFAOYSA-N 385.364 -0.817 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)[C@@H]1CCCO1 1261154914 VRVUQXWVXRWVLP-YCPHGPKFSA-N 382.424 -0.318 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 1322480079 XFDIFOKNIUKCLU-HNNXBMFYSA-N 393.465 -0.145 30 20 GBED C=C(C)COCCNC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 1324309146 PRUUDXJZKOSDFR-UHFFFAOYSA-N 387.444 -0.279 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)CC1 1324765725 ICBDDRHQBDVFAE-SFHVURJKSA-N 377.445 -0.666 30 20 GBED CC(C)[C@@H](C#N)N1CCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1325168609 PQRXMOGTTIWDBF-UONOGXRCSA-N 385.490 -0.835 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)CC1 1331986047 JOONAAUPWVATSD-UHFFFAOYSA-N 376.461 -0.596 30 20 GBED N#CCOc1ccccc1C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 1343449226 UUTAELLGDGCORV-CABCVRRESA-N 379.438 -0.495 30 20 GBED COC(=O)CCN1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@@H](C)C1 1546252110 RHAVDKJRGZPHSL-LBPRGKRZSA-N 377.401 -0.694 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](N[C@H](C)C(=O)NCc2cnn[nH]2)C1 1574985891 OLWPXJVASMNRMN-AIANPOQGSA-N 387.488 -0.609 30 20 GBED N#CCNC(=O)CNC(=O)N1CCN(c2ccc(F)cc2-c2nn[nH]n2)CC1 1581857576 DKHBXKSFSMOTOS-UHFFFAOYSA-N 387.379 -0.523 30 20 GBED C#C[C@H]1COCCN1C(=O)C(=O)N(C)C[C@@H](O)c1cccc(-c2nn[nH]n2)c1 1588331236 PSUZLTJYWFOCGE-LSDHHAIUSA-N 384.396 -0.781 30 20 GBED C[C@H](NCC(=O)NCC#N)[C@@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1589959067 SLJQKKGPXITMRS-FZMZJTMJSA-N 385.432 -0.193 30 20 GBED C#CCOCCC(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 1602726280 CVUQEYAIUTWERE-KGLIPLIRSA-N 382.428 -0.019 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)O)CC1 1609159046 UGRMRKMHDCMXMD-UHFFFAOYSA-N 383.426 -0.350 30 20 GBED CC[S@](=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1617443300 LHYUPUWBGFWWFH-NRRJATNASA-N 380.474 -0.102 30 20 GBED N#Cc1cn(CCC(=O)N2CCC[C@@H](NC3CCOCC3)C2)c(=O)nc1O 1633458874 VGLYZWIQZONCJV-OAHLLOKOSA-N 375.429 -0.030 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1778967684 IEBOYIKKJOXOKN-LIRRHRJNSA-N 395.456 -0.158 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3cccnn3c1)CCO2 1783565536 MWUCAFICUIDBBK-IBGZPJMESA-N 382.376 -0.134 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COCCO)[C@H]3C2)c1 1789917383 KQLDGMOAOGPRFG-DZKIICNBSA-N 376.413 -0.511 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cnnn3)[C@H]2C1 1791682901 PEWGEDHZOUKUEY-QXKUPLGCSA-N 392.460 -0.195 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792632367 SMZUKWWAJDRELU-RNJOBUHISA-N 382.417 -0.810 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C)nc1OC 1794577819 CGBFKHOPYXICAV-AYDFFVQHSA-N 390.440 -0.330 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3ccnn3c1)C2 1800779652 RQYNQWIZVSBFIB-ZSBFGKGUSA-N 382.376 -0.375 30 20 GBED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)[nH]n1 1822202575 WKHZCDGOYCPIIL-WCFLWFBJSA-N 375.385 -0.787 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1829768561 AXUTXNILHFVKDG-SZLMTNCGSA-N 395.431 -0.341 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1831393033 JGGACBCDQFLBMS-BEFAXECRSA-N 390.440 -0.553 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1831426922 MGVNLKVIYXRPQK-OAFZBRQQSA-N 382.457 -0.195 30 20 GBED C[C@@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1)n1cnnn1 1832291380 YURBQMSYYVWNFD-DZGCQCFKSA-N 388.428 -0.058 30 20 GBED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(N)=O)CC2)CC1 1833468434 JMMAPSUHYBKALP-CQSZACIVSA-N 393.488 -0.735 30 20 GBED C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1837641417 NYPMHBPXKUZPTK-RHSMWYFYSA-N 376.417 -0.716 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837798887 HFBTYRJGFGRPJX-BONVTDFDSA-N 399.429 -0.294 30 20 GBED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1839682452 WMTUUZZMLJGLMP-CXAGYDPISA-N 383.401 -0.082 30 20 GBED Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1839717158 VMLYINXMOLUAPZ-GUYCJALGSA-N 382.486 -0.034 30 20 GBED CCNS(=O)(=O)[C@@H]1CCN(/C(=N/C2CCOCC2)NCC(=O)N(C)C)C1 262314164 QHHHTHFCCBFHLT-CQSZACIVSA-N 389.522 -0.787 30 20 GBED N#CCOc1ccc(/C=C/C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 263917876 YEWUIMSJWHMMJG-ZZXKWVIFSA-N 381.396 -0.040 30 20 GBED COC(=O)[C@H](c1cccc(C#N)c1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 270842017 GDDLDIDPWUNCMG-IKGGRYGDSA-N 393.465 -0.452 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 281374525 LFLDWOUQEYDEMV-WFASDCNBSA-N 375.429 -0.079 30 20 GBED CO/N=C/C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 289427097 KCCUOSGDFOHGPV-XNTDXEJSSA-N 393.443 -0.461 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(=O)N(C)C1 349444082 CENVPJZFHZHIOQ-NSHDSACASA-N 386.455 -0.361 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CC(=O)N(C2CC2)C1 349455946 RJCOIZCTUDNISF-NSHDSACASA-N 398.466 -0.170 30 20 GBED CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 349463122 JBIMIBBQHQABNP-RRFJBIMHSA-N 392.547 -0.094 30 20 GBED N#Cc1cccc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@H](CO)C2)n1 349528578 ULJVMLHCFIZKCB-LBPRGKRZSA-N 388.471 -0.271 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NCC(C)(C)O)ncc1C#N 349579651 YVSFQOPZDNSKEI-UHFFFAOYSA-N 390.487 0.084 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 349599041 APAUWENOHZUQMZ-MELADBBJSA-N 379.504 -0.416 30 20 GBED Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 366561971 UWBRCPRTJVQUQV-UHFFFAOYSA-N 386.397 -0.211 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(NS(C)(=O)=O)cc2)C1=O 521440712 PYXPYDBGJCIZEA-UHFFFAOYSA-N 380.382 -0.027 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2NS(C)(=O)=O)C1=O 521471894 CDUPTVMNICBEHC-UHFFFAOYSA-N 380.382 -0.027 30 20 GBED C[C@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2nn(C)cc2C#N)cc1 563821878 YHSUXACVQXFALH-JTQLQIEISA-N 399.454 -0.248 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ncn(C)n2)cc1 565229093 OWNMMHKVSWOCNV-LLVKDONJSA-N 398.470 -0.174 30 20 GBED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@H]3C(=O)NC(=O)[C@H]3C2)CC1 590758630 HIQYCHJWANIPQM-IXDOHACOSA-N 399.426 -0.261 30 20 GBED Cn1c(=O)nc(O)c2nc(CCC(=O)NCCNc3ccc(C#N)cn3)[nH]c21 746233129 PJUOOGMKTYHBHC-UHFFFAOYSA-N 382.384 -0.210 30 20 GBED C=CCN(CC=C)C(=O)COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 753644966 HTGFONQLHIIQNP-CYBMUJFWSA-N 397.453 -0.104 30 20 GBED CCNS(=O)(=O)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 765474845 HHJAWWJBOUEUHU-LLVKDONJSA-N 388.471 -0.719 30 20 GBED Cn1c(=O)c2ccc(C(=O)NS(=O)(=O)CC3(C#N)CCC3)nc2n(C)c1=O 771072832 AEGQRPSQEVEEMV-UHFFFAOYSA-N 391.409 -0.614 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2c(Cl)nc3ccccn23)c(=O)n(C)c1=O 771888541 DMCSYQPIXOTUBB-UHFFFAOYSA-N 396.816 -0.303 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)c1cnn(C)n1 792034597 LJOXEIQASJMODW-JTQLQIEISA-N 377.382 -0.220 30 20 GBED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(O)C2=O)cc1 816757412 RMZNRHUUOXEUQF-ZDUSSCGKSA-N 383.426 -0.342 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nn[nH]n3)o2)c(=O)n1CC 819750600 GXDFZJUALJRVMS-UHFFFAOYSA-N 397.420 -0.492 30 20 GBED COc1ccc(CNC(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)cc1C#N 829351486 MQRJUEDTUUMICY-OCCSQVGLSA-N 381.410 -0.889 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 854879750 VMOMGXMNZDXRPD-GPPDRHIASA-N 394.428 -0.001 30 20 GBED N#CCSCC(=O)OCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 915388033 KASVJYMNRXFBSW-CHWSQXEVSA-N 390.483 -0.019 30 20 GBED CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CC(=O)N(C)C 918729993 MQVGSDLMJWREFJ-UHFFFAOYSA-N 387.465 -0.540 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccc(C(N)=O)cn2)[C@H](OC)C1 942546088 ULZJIMKYCHVLLE-DMRZNYOFSA-N 388.424 -0.273 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnc3ccccc3n2)C1 1024704601 ILQQENBZEWWXMV-MPESAESLSA-N 383.408 -0.083 30 20 GBED N#Cc1cncc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C2CC3(C2)NC(=O)NC3=O)n1 1055053694 PDBATCVWPBUQSW-DAVLUUJKSA-N 381.396 -0.438 30 20 GBED Cc1nc(N2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)ccc1C#N 1090561404 YOTJQICTRZMNHF-FPCVCCKLSA-N 387.440 -0.260 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CNCc2cc(=O)n(C)c(=O)n2C)C1 1094057467 MEAULFMDWSQAHS-SRABZTEZSA-N 390.484 -0.141 30 20 GBED C[C@H]1CC(=O)N[C@@H](C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](C(F)(F)F)C2)C1 1112103361 BPNAWJXTODJNMI-DDHJBXDOSA-N 389.378 -0.480 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@@]2(CCN(C)C2)C1 1117967588 ABYKAHNKAWWAEL-FOIQADDNSA-N 397.483 -0.060 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3nc(C4CC4)no3)CC2)c1C#N 1257482415 DCBNNIIQRSHJFF-UHFFFAOYSA-N 398.427 -0.174 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCc2ccc(S(C)(=O)=O)s2)nn1 1261446849 KKBYCMVNAYURFG-UHFFFAOYSA-N 383.455 -0.138 30 20 GBED C#CCCCNC(=O)C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1322980965 LADOMGRBBRNHSX-UHFFFAOYSA-N 385.486 -0.395 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 1323261610 MLJALJWQCILWFA-UHFFFAOYSA-N 391.375 -0.029 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H](CNC(=O)CCC)C1 1323725194 AYVCSJCDPJHIJW-AWEZNQCLSA-N 387.502 -0.142 30 20 GBED N#Cc1ccc(CNC(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1 1323968751 OCQQQYXDNIOMAI-SFHVURJKSA-N 385.468 -0.303 30 20 GBED CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N1CCC(C#N)(C(=O)OC)CC1 1325032313 XHZXMYBJRVOJDX-CYBMUJFWSA-N 378.429 -0.239 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(C(=O)CC(C)C)CC2)C1=O 1325368050 BCMAOYJVWJRAHI-OAHLLOKOSA-N 378.473 -0.051 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)C1 1332375894 GMTZOMVZTLENQZ-LJQANCHMSA-N 384.436 -0.091 30 20 GBED CS(=O)(=O)C[C@@H]1CCN(CC#CCN2CC[C@@H](CS(C)(=O)=O)C2)C1 1347538227 LQWQRKBZICHRKO-HZPDHXFCSA-N 376.544 -0.277 30 20 GBED C=CCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1C1(CO)CCOCC1 1351583978 DBKMKNZYFJCYDH-UHFFFAOYSA-N 392.504 -0.285 30 20 GBED C=CCn1c([C@H](O)COC)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1352171413 LVNYVBDOTUCPLN-DZGCQCFKSA-N 378.477 -0.067 30 20 GBED C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 1573285408 HMHCUUHOVGCQMU-GFCCVEGCSA-N 382.428 -0.519 30 20 GBED C#CCOCCC(=O)NC[C@H](O)CNc1nc(Cl)c(-c2nn[nH]n2)s1 1573287077 LOCNMJBMFDARAT-QMMMGPOBSA-N 385.837 -0.095 30 20 GBED C=CCn1cc(C(=O)NC[C@@H](C)N(C)C(=O)[C@@H](C)OCc2cnn[nH]2)nn1 1575112748 XCJHPRYSOQBISI-VXGBXAGGSA-N 376.421 -0.236 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC2(C[C@@H](O)CNC2=O)C1 1581855824 NYMARMDKJCVFOY-UONOGXRCSA-N 381.396 -0.742 30 20 GBED C#CCN(C(=O)Cn1cccn1)C1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 1588348151 JNTVDBYQJPDFNP-UHFFFAOYSA-N 392.427 -0.016 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cnc(-c3nn[nH]n3)cn2)C1 1588350983 BTUOIYUMHJVFNN-ZFWWWQNUSA-N 381.444 -0.161 30 20 GBED C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C(=O)O 1588413623 DEXLHVNXDKIHOY-CQSZACIVSA-N 396.421 -0.078 30 20 GBED C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@H]1CN(C(=O)C#CC2CC2)CCO1 1589943790 XDPJNIBPGXFRSG-IAQYHMDHSA-N 383.412 -0.046 30 20 GBED CN(CCOCCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1ccnc(C#N)n1 1591110276 FQDYPVULCYIRQC-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED C=C[C@@](C)(CCOC)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O 1602794887 OJRDJMDTFTZDCH-PEBVRCNWSA-N 388.432 -0.449 30 20 GBED C=CCOCCCNC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1602869336 CDLMRBFEMUPDPN-UHFFFAOYSA-N 380.430 -0.146 30 20 GBED CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1c[nH]c(C#N)c1 1604720311 POTFWGOXAJUXKN-LBPRGKRZSA-N 382.388 -0.574 30 20 GBED Cn1c(=O)[nH]c(N2CCC(c3ccc(C#N)cn3)CC2)c(-c2nn[nH]n2)c1=O 1606202528 QFHAPGFRFMTORJ-UHFFFAOYSA-N 379.384 -0.096 30 20 GBED CC(C)(CNS(=O)(=O)N1CCO[C@@H](C#N)C1)[C@@H]1COCC12OCCO2 1663801326 MCFPGGXEAXZVLA-STQMWFEESA-N 375.447 -0.539 30 20 GBED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)n1ccnn1 1781552058 GXRSHDQDAFPEEH-HBUWYVDXSA-N 389.412 -0.559 30 20 GBED CCOc1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cn1 1783558553 ZNXZMUDGDZJRDB-SFHVURJKSA-N 388.380 -0.593 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCN1CCCCC1)CCO2 1783561126 FMCBNXZTWJGHJS-LJQANCHMSA-N 377.441 -0.220 30 20 GBED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2 1795275506 GETHRWVOIXVHIY-XEMDLRDOSA-N 379.420 -0.081 30 20 GBED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N1)C(F)(F)F 1795391656 NXLREWKABMUTFX-LSCVPOLPSA-N 375.347 -0.027 30 20 GBED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1830708918 PYPWYLUVSZNZRI-SPYBWZPUSA-N 393.440 -0.054 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1831390977 BVXMDIWTUYNMHS-BEFAXECRSA-N 375.425 -0.215 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1831485911 OAFADFVRFHUZAD-CXAGYDPISA-N 397.501 -0.161 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1835354715 XPOCACMYBALFDX-LJQANCHMSA-N 394.472 -0.531 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1839838063 GVHMZTCARNJSRU-BEFAXECRSA-N 396.488 -0.074 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1840167470 RFBZTBVADIBJJJ-KRWDZBQOSA-N 382.486 -0.127 30 20 GBED Cc1nn2cc(CC(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)nc2s1 1841787123 DVDHQOZWMHPKJV-UHFFFAOYSA-N 387.421 -0.067 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CNC(=S)NCC)C1 1845758437 WUETYYFCUZMUJY-SREVYHEPSA-N 393.513 -0.468 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N(CC(=O)OC)CC(=O)OC)cc1 68360231 VPJNKQMCIGHXQK-UHFFFAOYSA-N 384.410 -0.061 30 20 GBED N#Cc1cccnc1NCCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 108396938 BWAAYKZRLLRGIM-UHFFFAOYSA-N 386.393 -0.127 30 20 GBED C/N=C(/NCC(=O)NCC(F)(F)F)N1CCN(C(=O)[C@@H]2CCCO2)CC1 262522822 FOMNBYKGCPJFQR-NSHDSACASA-N 379.383 -0.437 30 20 GBED CC(C)NS(=O)(=O)CCNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 268190486 SDMFTRXBUIZGOU-ZDUSSCGKSA-N 395.489 -0.104 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCN(C)S(=O)(=O)CC 284286924 UDCCDECNDXRKKQ-KBPBESRZSA-N 375.491 -0.128 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C 284713625 ZOUPGXYBURWBHV-CZUORRHYSA-N 398.489 -0.222 30 20 GBED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 289882462 ARODIKCFGWDXOM-UHFFFAOYSA-N 391.403 -0.457 30 20 GBED C=C[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 290131710 HLMMHZJRTFYPND-LBPRGKRZSA-N 376.456 -0.467 30 20 GBED C[C@H](/N=C(/O)N1CCN(C(=O)Cn2cnnn2)CC1)C(=O)N1CCCC[C@@H]1C 329574067 JOMOTRSVPYZXGY-KBPBESRZSA-N 392.464 -0.479 30 20 GBED CN([C@@H]1COC[C@H]1O)S(=O)(=O)CCCS(=O)(=O)N[C@@]1(C#N)CC1(C)C 349453731 AIMJSRXIEFTOQP-YRGRVCCFSA-N 395.503 -0.991 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)C(C)(C)C1=O 349458061 KZUFSVBMUHICNZ-LBPRGKRZSA-N 394.519 -0.520 30 20 GBED C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)CCCCS(=O)(=O)N(C)CC#N 349622320 QYQQTJUAOKMZRB-VJBOLBCHSA-N 399.560 -0.277 30 20 GBED C[C@H](CN)N(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 423718792 LQKAMJJWFAGWSF-CYBMUJFWSA-N 393.469 -0.803 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O 440964043 USHFGSQDRIELDN-UONOGXRCSA-N 395.423 0.546 30 20 GBED C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 442529992 SXKWDCCIZSFALR-XJKSGUPXSA-N 398.423 0.135 30 20 GBED COC(=O)CN(CC(=O)OC)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 481494062 OQBBDJXFJVPTAU-LLVKDONJSA-N 397.409 -0.600 30 20 GBED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccnn2C)c1=O 502019391 VYHXERSREQNHIN-GFCCVEGCSA-N 387.465 -0.517 30 20 GBED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(N)=O 530653432 WXAZPTOWQYFOPB-UHFFFAOYSA-N 399.457 -0.890 30 20 GBED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1cccnc1C#N 545349466 ONUWKVMZVCUYKU-UHFFFAOYSA-N 381.458 -0.636 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2C(N)=O)cc1 565227607 BVRMSYZXNWTCTF-OLZOCXBDSA-N 386.455 -0.579 30 20 GBED N#CCNC(=O)CNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 578993721 YOMVSVXPVCHWMK-CYBMUJFWSA-N 380.426 -0.487 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)c1 657100624 STFAYIOFUQOZST-KGLIPLIRSA-N 388.467 -0.307 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 658916502 RZDNPNRQKHXEQK-CQSZACIVSA-N 390.440 -0.316 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)C1=O 672640238 UMHKEKUNHNXMNF-DOTOQJQBSA-N 391.516 -0.484 30 20 GBED Cc1ccc(F)c2c1C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)N2 771890822 HZBUDDSGOYFXKD-UHFFFAOYSA-N 395.372 -0.834 30 20 GBED N#Cc1ccc(NCC(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 778104222 GEPKRCPVSJJZHV-CYBMUJFWSA-N 394.409 -0.474 30 20 GBED CC(C)[C@H](CNC(=O)C(=O)NCCNc1ncccc1C#N)N1CCOCC1 786447756 OXANXDZKNBIPJI-INIZCTEOSA-N 388.472 -0.046 30 20 GBED CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 787789732 FWOJRSDANUSLMB-CYBMUJFWSA-N 379.442 -0.483 30 20 GBED C=CCN1CC[C@H](N(C)Cn2c(=O)n(CC=C)c(=O)n(CC=C)c2=O)C1=O 799144524 ZXSKYYKCSFFSDE-AWEZNQCLSA-N 375.429 -0.780 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCC(=O)NC)cc1 848942398 KUSFUXLNGLPHCG-UHFFFAOYSA-N 398.466 -0.752 30 20 GBED CCOC(=O)CON=C(C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)c1cc[nH]n1 861716518 VTOAFLICYIMHGA-QWHCGFSZSA-N 379.417 -0.639 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccc(C)cc2=O)C[C@@H]1O 964615167 JQJATQNNINVWJF-NCOADZHNSA-N 389.452 -0.174 30 20 GBED C=C1CC(C)(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@H]2O)C1 1025542159 LKZXRELNXFUEML-APIJFGDWSA-N 379.457 -0.334 30 20 GBED Cn1c(=O)ccn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cnc(C#N)cn2)c1=O 1055235267 OPGSLKSCKVTXSZ-RDBSUJKOSA-N 381.396 -0.865 30 20 GBED C#CCOCCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C[C@H]2C1 1055337665 DFXZAINDFZWEMZ-CNMWIUBYSA-N 376.453 -0.005 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCc2nnnn2C)[C@H](c2cnn(C)c2)C1 1086997862 DYWAOLNFIBNRHZ-QXSJWSMHSA-N 386.460 -0.381 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 1116617110 ILPWCUXMXAPJGI-ZDUSSCGKSA-N 397.453 -0.037 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)nn1 1118178671 SZOMQCAIRGWAKZ-HZPDHXFCSA-N 387.444 -0.072 30 20 GBED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(C)C2=O)cc1 1118245997 OOUJPLRNWDZCHB-RISCZKNCSA-N 392.437 0.000 30 20 GBED Cn1nccc1[C@H](O)C1CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1118824097 WQMCMSNIEMZTGQ-CRAIPNDOSA-N 375.429 -0.431 30 20 GBED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1258047659 OEITYDDWTODNPL-CYBMUJFWSA-N 384.440 -0.273 30 20 GBED CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)Cn2cnc(C#N)n2)CC1 1319253107 SHSPDSXJWPXIEJ-UHFFFAOYSA-N 394.379 -0.035 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C 1321852262 LDROLSXDTPTOEP-CHWSQXEVSA-N 375.491 -0.082 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 1323030458 UIPZQAQIGMKSGJ-UHFFFAOYSA-N 375.400 -0.195 30 20 GBED N#C[C@@H]1CNC[C@@H]1NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 1332517436 RDEDCGAOFXYARF-RISCZKNCSA-N 379.442 -0.988 30 20 GBED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1cnn(CC#N)c1 1334476382 QOJPFGKCZQQAMA-AWEZNQCLSA-N 375.433 -0.596 30 20 GBED C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)C(=O)N1c1cnn(C)c1 1340170797 MHJBKMBLWTZRLC-YPMHNXCESA-N 384.400 -0.221 30 20 GBED C#C[C@@H](NC(=O)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)[C@@H]1CCCO1 1346939975 UNSLQODATQTFSC-CABCVRRESA-N 383.470 -0.644 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 1347037646 AQZNCUPLMSQFJT-CQSZACIVSA-N 391.490 -0.797 30 20 GBED N#Cc1nc(=NC[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCO2)cc[nH]1 1571154116 YNVDFPVBRDYUFB-NSHDSACASA-N 380.372 -0.769 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@]1(O)CCN(c2cncc(-c3nn[nH]n3)n2)C1 1573351301 PVHVVCFUPDTONY-ZUCKAHLUSA-N 386.416 -0.695 30 20 GBED CC#CCN(Cc1cnn[nH]1)c1nnc(-c2cnn(C)c2)n1Cc1nnn(C)n1 1575117910 GRHJSTVMCBFDHO-UHFFFAOYSA-N 393.419 -0.602 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@@]1(O)CCS(=O)(=O)C1 1581855520 DGEXDEACQYFQKZ-CJNGLKHVSA-N 390.425 -0.785 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2Cc3ccc(-c4nn[nH]n4)cc3C2)CCO1 1581857287 WRTKRAAXGGXAEW-ZIAGYGMSSA-N 375.414 -0.607 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(C)[C@@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588351936 AOIUJEPRDHAJKH-WFASDCNBSA-N 384.444 -0.131 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](OC)C1 1588356644 YXPLHWAHTRFTHZ-LERXQTSPSA-N 387.400 -0.811 30 20 GBED C=CCCO[C@H](C)C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 1588608820 QVRGXEHHJACPPP-SJKOYZFVSA-N 388.432 -0.305 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)N1CC(=O)N[C@H](C)C1 1588635831 XXEGFZNZVIFBGS-GFCCVEGCSA-N 383.412 -0.272 30 20 GBED N#C[C@]12CN(S(=O)(=O)c3ccccc3-c3nn[nH]n3)C[C@H]1CS(=O)(=O)C2 1592681239 NCYWKCREIYFOQE-IINYFYTJSA-N 394.438 -0.574 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H]3CC[C@H]2[C@@H](C(=O)O)C3)c1=O 1609470290 NDGVBCIFXAJVLQ-IHRRRGAJSA-N 376.413 -0.314 30 20 GBED CC(=O)Nc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)o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c1ccco1 1797837387 SNCQYAQRGAGUAE-IAILGRRXSA-N 393.440 -0.049 30 20 GBED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3CCC(=O)N3)sc2C1 1814061612 KLVIPGUGMXCXAN-WPRPVWTQSA-N 376.394 -0.578 30 20 GBED CN1C(=O)CC[C@H]1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1823053859 CQCVKAWYDYZXGW-KOLCDFICSA-N 390.421 -0.236 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCO3)C2)C1 1831402461 ZYAHFBZHBGYMPW-JTDSTZFVSA-N 380.441 -0.340 30 20 GBED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)N1C[C@H]2C[C@@H]2C1 1834761348 ZANLBCNYBLFLKS-NNFUDEMPSA-N 376.457 -0.303 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccc1F)CCO2 1836319429 GHDODKNTUAPUSZ-GOSISDBHSA-N 391.355 -0.621 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3nnc(C)s3)C2)C1 1839806818 DJBFFGBOBNEBOW-QGZVFWFLSA-N 378.454 -0.131 30 20 GBED CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839882723 VLJIELXXJFHDNU-IBGZPJMESA-N 377.441 -0.618 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1840158610 NWYMFOXCRAPCKE-MEDUHNTESA-N 382.442 -0.430 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1840172198 YPNHJOLWZVWQDU-GOSISDBHSA-N 378.429 -0.373 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1840203725 PYTHXOQAMGJGDL-OAHLLOKOSA-N 393.362 -0.303 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)CCC1 1840814773 WXMPEZBOJPQOMC-SFHVURJKSA-N 389.412 -0.121 30 20 GBED Cn1cc(S(=O)(=O)N2CCN(c3ccccc3C#N)CC2)c(=O)n(C)c1=O 263643161 ALBVPYXBZBIVBM-UHFFFAOYSA-N 389.437 -0.533 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCN1CCNC(=O)C1 270945511 DANJNRXWEGJBEX-CYBMUJFWSA-N 393.469 -0.837 30 20 GBED COc1ncncc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 272848938 HLGMETBAMVVGME-NSHDSACASA-N 382.384 -0.177 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 281827948 UZUYZNSLKUMORE-GHMZBOCLSA-N 381.501 -0.191 30 20 GBED COCCN1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1=O 282441982 LAXQJVVTZOUQBK-LBPRGKRZSA-N 380.426 -0.500 30 20 GBED CN1CCN(C)[C@H](C/N=C(/O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)C1 329227714 IHAQAFJWNOXCEQ-LSDHHAIUSA-N 375.539 -0.250 30 20 GBED CC1(C)CCN(S(=O)(=O)CCCS(=O)(=O)NCC#N)CC[S@@]1=O 349457226 DXTPSBQMAFMOMU-NRFANRHFSA-N 385.533 -0.618 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[S@@](=O)CC[C@@H]1C 349461535 QVPWVOFIXNMGHK-XMHCIUCPSA-N 399.560 -0.276 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nnc2n1CCOC2 365142237 GBTNTJYFZHJDJZ-NSHDSACASA-N 390.425 -0.337 30 20 GBED COCCn1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cn1 446530001 GHHRFSQNSSXEBO-UHFFFAOYSA-N 378.433 -0.458 30 20 GBED C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 554649064 AOIOXONMXCRQQY-CQSZACIVSA-N 384.444 -0.527 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)COC)cc1 555317311 PTIHEODARREKPZ-CYBMUJFWSA-N 385.442 -0.445 30 20 GBED N#CCNC(=O)CNC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 557721276 SUQIGSCABMVKAP-UHFFFAOYSA-N 396.425 -0.728 30 20 GBED N#Cc1ccc(OC[C@H](O)CNCCNS(=O)(=O)Cc2ccon2)cc1 562989964 UOBZYEVAKHUFKE-OAHLLOKOSA-N 380.426 -0.005 30 20 GBED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(c2cnccc2C#N)CC1 578593675 GWKRRHXBCXWVMP-GFCCVEGCSA-N 397.439 -0.674 30 20 GBED N#Cc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)O)cc1Br 579191010 FWMCNLCPSAYLQU-SECBINFHSA-N 376.188 -0.072 30 20 GBED CCc1nsc(N2CCN(C(=O)C(=O)N3CCN(CCC#N)CC3)CC2)n1 601467460 UVHODIYQCXKLDW-UHFFFAOYSA-N 391.501 -0.193 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)NC3CC(NS(C)(=O)=O)C3)CC2)c1C#N 619762722 JGJAVCAUNMBKFO-UHFFFAOYSA-N 395.489 -0.488 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745480246 DBJXUOJYGZSFGG-GVFGIDLGSA-N 379.369 -0.908 30 20 GBED COCCNC(=O)CN1CCN(C(=O)NCCNc2ncccc2C#N)CC1 745774217 FFLJVLAAOOUXKV-UHFFFAOYSA-N 389.460 -0.545 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCCc2ccc(S(N)(=O)=O)cc2)C1=O 767622380 PTODXEPMJPCHJE-UHFFFAOYSA-N 395.393 -0.604 30 20 GBED N#CCOc1ccc(CC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 787997403 FBUWTTMHCOLBMT-IAGOWNOFSA-N 393.465 -0.566 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CNC3(CO)COC(C)(C)OC3)CC2)o1 812837327 DPGVYBYNMBLTSN-UHFFFAOYSA-N 393.444 -0.393 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)n1ncc(-c2nn[nH]n2)c1N 820452134 ZYSVVPPGTKBERA-MRVPVSSYSA-N 387.385 -0.476 30 20 GBED Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3CCO[C@H](C#N)C3)CC2)o1 822422679 BSNNAAUDCOOWSX-GFCCVEGCSA-N 387.404 -0.964 30 20 GBED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCCN(O)C2=O)C1 848138309 OMJLMFZRYLNZOV-STQMWFEESA-N 399.473 -0.076 30 20 GBED CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCC2(C1)OCCO2 848959623 NKPHPMBFFCQRCD-ZDUSSCGKSA-N 395.503 -0.281 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1nonc1C)[C@@H]1CCCO1 848963408 QQRNKUSVNVBHEO-RYUDHWBXSA-N 392.459 -0.390 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCC2(C1)OCCO2 848969750 YYUBTQITCQEFLB-CYBMUJFWSA-N 395.503 -0.281 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCC(c2nc(N)n[nH]2)CC1)c1cc[nH]n1 854505345 SEJKSSWYQMXJSC-UHFFFAOYSA-N 390.404 -0.200 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCCN2C2CC2)CC1 894455353 ILBLLWNIRKMHPY-INIZCTEOSA-N 383.518 -0.202 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)c(C)cc2=O)C1 966773271 QPVSSUFQGRVXJC-DHXZDTOLSA-N 389.452 -0.024 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnc3c2ncn3C)C[C@@H]1O 970706493 BPCDGTJJDRFMJZ-RZFFKMDDSA-N 385.424 -0.139 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)Cn2ccc(O)nc2=O)C1 982155908 TVLWFBJPGGXMIV-YJNKXOJESA-N 390.440 -0.059 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@H](c2cnn(C)c2)C1 982330967 UUVGPEHHQRHHCA-JONQDZQNSA-N 389.456 -0.313 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1c(O)nnc1O 1003082486 YQUFQQGIWHFUKT-JYKNGBAOSA-N 391.428 -0.081 30 20 GBED C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1024917544 RQWFQJBJGCZHKQ-YDWBTVLJSA-N 387.480 -0.557 30 20 GBED CN(C)S(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ncccc1C#N 1092918296 URQXHODXJNUXLG-RDBSUJKOSA-N 378.458 -0.425 30 20 GBED C=CCN(CC=C)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CN(C)C(=O)N1 1110897740 UZWCAOKKTFJYAD-FPCVCCKLSA-N 375.473 -0.068 30 20 GBED N#Cc1ccccc1CSCCNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 1116975515 OVDPYYRQRRRTDA-AWEZNQCLSA-N 396.494 -0.203 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)N3CCCCC3)CC2)C1 1118182940 BWPPIWRGVKMHSX-GOSISDBHSA-N 377.445 -0.386 30 20 GBED C=CCN(C(=O)C(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1)[C@@H](C)COC 1118467844 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20 GBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cc1 1588364459 GDWLEUNMDDAJOQ-HZPDHXFCSA-N 391.391 -0.209 30 20 GBED C#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cc1 1588368269 SDKKRAYXLXBFMP-AWEZNQCLSA-N 379.380 -0.303 30 20 GBED C#CCN(CC(=O)O)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1588410509 WJHFMJBDQDSQET-BWBHSNQOSA-N 386.426 -0.385 30 20 GBED CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](Cn2cncn2)C(=O)O)c1 1588932221 MDHVXSJOJLJBNO-CQSZACIVSA-N 376.394 -0.042 30 20 GBED CON=CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 1591467595 RGTHVHYPSUZGTF-UHFFFAOYSA-N 379.402 -0.668 30 20 GBED N#CC1(NC(=O)Cn2cc(CN3CCOCC3)cc(-c3nn[nH]n3)c2=O)CCC1 1592670817 QROVKWGIRNALDB-UHFFFAOYSA-N 398.427 -0.577 30 20 GBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 1602722301 LESVWKNPVIFEEM-TYNCELHUSA-N 382.428 -0.521 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H]2C(=O)NCC(=O)O)CC1 1603711656 GUGZMBUUBOVLJB-LSDHHAIUSA-N 379.461 -0.656 30 20 GBED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCS(=O)(=O)NC 1616924957 VLTSJMMIHGNZOB-AWEZNQCLSA-N 397.505 -0.460 30 20 GBED C#CCNC(=O)[C@@H](C)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1752538433 KYNDKUNDHUOMOM-BQULAQKPSA-N 375.469 -0.149 30 20 GBED CC(=NNc1ccc(C(N)=O)nn1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 1776048324 LLMIUZCQNWWYCW-UHFFFAOYSA-N 392.397 -0.226 30 20 GBED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1779070358 WGCYSLJAXOPENN-QAPCUYQASA-N 395.412 -0.385 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1779277987 KWQUREXSWWXUID-QMTMVMCOSA-N 377.441 -0.455 30 20 GBED C[C@H](Nc1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779331888 RWIZLDZNWWRSBM-IFXJQAMLSA-N 386.408 -0.200 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783164452 ZOAMTSUDETWTAK-BIENJYKASA-N 379.457 -0.475 30 20 GBED CC(C)c1nc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)no1 1783557928 STNLRRQVRLKDGD-GOSISDBHSA-N 390.396 -0.347 30 20 GBED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1783887941 YARGWLNSWGPBQU-APPDUMDISA-N 378.454 -0.058 30 20 GBED CC[C@@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1787405629 RPGVPTKOGGKARZ-FQUUOJAGSA-N 379.461 -0.037 30 20 GBED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)NC(=O)OCC)C[C@@H]21 1792172462 KGGCVVNEYUEBLP-RZLSGREXSA-N 381.429 -0.556 30 20 GBED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(O)O)c(O)n1 1792796176 VKBNZBOQRQAYEK-JJLQDPRZSA-N 391.424 -0.580 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1C)C2 1793359084 KUDZINLLFYVFFK-LFYQSXPISA-N 379.457 -0.212 30 20 GBED CC(=O)N(C)[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798693621 WIHQKIATTMCQAU-FIUQPQMISA-N 387.440 -0.044 30 20 GBED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cnnn2)C3)c1 1799799649 GTFHWXKFKVZBJH-ALXJQNPVSA-N 395.423 -0.243 30 20 GBED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CNC(=O)C1)C2)C(F)(F)F 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376.509 -0.720 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)NC)CC1 298130522 KUABRZBEZKNJAM-UHFFFAOYSA-N 398.416 -0.615 30 20 GBED CN1C(=O)[C@@]2(CCN(/C(O)=N/[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)N=C1O 329713854 SCEXAGJTODWJAV-BZNIZROVSA-N 399.473 -0.313 30 20 GBED C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 349466755 REXMYENTWPYQSJ-PWSUYJOCSA-N 391.475 -0.792 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O 349472080 FQXJEWFVKPHOJF-ARFNZGECSA-N 377.488 -0.761 30 20 GBED CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)NCC(=O)NCC#N)C2)CC1 367577299 CFVQNFJXQAXACY-CQSZACIVSA-N 394.476 -0.037 30 20 GBED CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 410155508 ULSGSGHPRRJWBP-CQSZACIVSA-N 396.535 -0.305 30 20 GBED C=CCOc1cccnc1C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 471321275 GRHATDLKHOYBSH-KGLIPLIRSA-N 381.454 -0.438 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)C1=O 479696709 WUUFQEOJHSVFGA-ZDUSSCGKSA-N 393.421 -0.135 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCS1(=O)=O 484105476 FYIPDJUZRSXOTI-RISCZKNCSA-N 385.467 -0.082 30 20 GBED COc1cc([C@@H](C#N)NC(=O)CN2C(=O)C(=O)N(C)C2=O)cc(OC)c1OC 505547832 VLDLDYREBPMYQV-SNVBAGLBSA-N 390.352 -0.186 30 20 GBED COCCN1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1=O 509495122 XNYWSTLLCGONJH-UHFFFAOYSA-N 390.444 -0.706 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)Cn3ccnc3)CC2)c1C#N 514955688 BLIYXUFNQJPZOI-ZDUSSCGKSA-N 384.444 -0.350 30 20 GBED CN1CC[C@@H]2CN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)C[C@@H]21 571893953 BGMHVGGFPCYXFE-OLZOCXBDSA-N 378.520 -0.436 30 20 GBED CN(CCN1CCOCC1)C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 572938409 DHPRUIZHSOZZQW-UHFFFAOYSA-N 386.456 -0.608 30 20 GBED COCCO[C@H]1COCC[C@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 583471990 MDNLWOZMUKYLFO-CVEARBPZSA-N 397.453 -0.227 30 20 GBED CN1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC#N)C3CC3)cc2)CC1=O 594622488 DNDDWZNIGITCLP-UHFFFAOYSA-N 398.466 -0.217 30 20 GBED CC(C)[C@H](C#N)N1CCN([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 599181665 PYKJSJDVDWIDME-OLZOCXBDSA-N 376.461 -0.597 30 20 GBED COc1cc(NC(=O)C(=O)N2CC(OCC(=O)N(C)C)C2)c(F)cc1C#N 599962944 ATBXTKWLMPULPY-UHFFFAOYSA-N 378.360 -0.040 30 20 GBED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 609126749 PUELNHVPCQQJDP-INIZCTEOSA-N 384.440 -0.271 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 728535622 AYNMFVGSRZIXRS-OAGGEKHMSA-N 388.468 -0.556 30 20 GBED CC(=O)NC[C@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 735474817 GLZDSRUZAABMPZ-ZDUSSCGKSA-N 394.453 -0.521 30 20 GBED N#Cc1ccc([C@@H](OC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C(N)=O)cc1 745477965 JXGPGCAYHYXONP-LKAFINOVSA-N 383.360 -0.210 30 20 GBED C#CCN1CCN(C(=O)CN2CCN(c3ncnc4c3cnn4C)CC2)CC1 748815222 MHRNEFRRCMINRY-UHFFFAOYSA-N 382.472 -0.737 30 20 GBED Cn1cc(S(=O)(=O)NN=C2CCN(Cc3ccccc3)C2)c(=O)n(C)c1=O 771889915 MDJKEWBOFFFXBY-UHFFFAOYSA-N 391.453 -0.376 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1)[C@@H]1CCCO1 785641894 CYNHBDFZQGKRRD-HOTGVXAUSA-N 393.465 -0.351 30 20 GBED N#Cc1ccc(C(=O)COC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)cc1 786198388 QVHMRKSCTSCYLZ-UHFFFAOYSA-N 391.361 -0.045 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCS(=O)(=O)CC2CC2)c1 810592625 NSYYLWVOLNFWSL-UHFFFAOYSA-N 385.467 -0.222 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)/C(=C\c2cccs2)NC(C)=O)CC1 831579506 FWEYYDTZISIWDJ-NTCAYCPXSA-N 396.494 -0.163 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@@H]2CN(c3ccccc3)CCO2)CC1 846838207 XMZCYMQOTGDLEF-GOSISDBHSA-N 378.498 -0.023 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H]1CC(C)(C)OC1=O 848956717 AJEYKWYLENDZIG-NWDGAFQWSA-N 395.503 -0.094 30 20 GBED COC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncc(C#N)s2)C1 848961435 WXPLUBCRNRILQI-UHFFFAOYSA-N 380.473 -0.193 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(C3CC3)nn2C)CC1 896745812 VQYFWLSGNYCWJP-UHFFFAOYSA-N 380.474 -0.408 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc(N(C)C)cn2)C1 963807325 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C=CCNC(=O)NC(=O)CNC1CC(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1100520992 HVOBZCUSUAIOGN-NTLYZBQWSA-N 376.457 -0.094 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)NC(=O)CC 1109323980 QSGGPLUCVLTOOS-CRWXNKLISA-N 379.461 -0.366 30 20 GBED N#Cc1cccc(CNC(=O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 1115917849 LJVXYADDTOBFNB-KRWDZBQOSA-N 376.482 -0.021 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)nn1 1118172563 IOLOFQGTEMGLIC-UHFFFAOYSA-N 388.403 -0.306 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(Oc2ncc(C)cn2)CC1 1118404560 CDBMXZCWXGJIBI-UHFFFAOYSA-N 396.469 -0.128 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCCn3cncn3)C2=O)cc1 1119129682 YFRDALIUYLBVGI-MRXNPFEDSA-N 395.423 -0.427 30 20 GBED C=CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]2C1 1189117801 MUZQAOTXVCVUGF-XUWVNRHRSA-N 378.473 -0.543 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCc2cccnc2)C[C@H]1O 1196812786 XCYDSDHXEOLZAC-FAJBIJEISA-N 388.468 -0.160 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Cn2ncn3nccc3c2=O)C1 1321037855 QWYDLYFXLIAONI-NWDGAFQWSA-N 387.400 -0.234 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CCO1 1322535049 ZODQXCTXQIJCIC-MRXNPFEDSA-N 386.408 -0.474 30 20 GBED C[C@H](Sc1nnnn1C1CC1)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1342562156 XDFGRSJDQKWZGG-ONGXEEELSA-N 398.470 -0.546 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](O)CNc1ccc(-c2nn[nH]n2)nc1 1573300928 WLCDTJVWYPLWDG-UKRRQHHQSA-N 388.432 -0.378 30 20 GBED C#CCN(CC#C)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1CCCOCC 1588349712 KZMKMLNSJSYFDL-UHFFFAOYSA-N 395.431 -0.403 30 20 GBED C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588349826 NMGOHWQIEKUBGQ-LBPRGKRZSA-N 381.439 -0.322 30 20 GBED C#CCN1CCC(C(=O)NCCN(CC)c2ccnc(-c3nn[nH]n3)n2)CC1 1588351765 JBMRASKYIXRXFX-UHFFFAOYSA-N 383.460 -0.056 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC2(CC1)NC(=O)NC2=O 1592664545 FNPZKTULLWTXEO-ZDUSSCGKSA-N 394.395 -0.250 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc2c(cc1C(=O)O)OCO2 1609461709 KDLFDTQTXBAGKW-UHFFFAOYSA-N 384.366 -0.231 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3ncccc13)CCO2 1783563094 WBQWUDJADIUWFP-SFHVURJKSA-N 383.364 -0.739 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1784035727 XCOXHXACGDVWBT-CLCXKQKWSA-N 379.457 -0.066 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)S)C[C@@H]21 1788476534 YSMGUCWIOAJVNL-FGPLHTHASA-N 389.474 -0.651 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795630899 ALRRNGCZZTWWHH-OQMKEHIESA-N 384.502 -0.912 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2 1797711995 NGPSGAFEKFLOGU-LMWOUKEDSA-N 390.440 -0.454 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCCS2(=O)=O)CC1 1800391755 FQSYXPCWPYRVJA-CRWXNKLISA-N 381.454 -0.543 30 20 GBED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834675761 WDEYGUGENQNXPY-CQSZACIVSA-N 394.520 -0.368 30 20 GBED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)Cn3cnnn3)CC2)CC1 1834875872 KLNZRACVAALIOY-LBPRGKRZSA-N 381.506 -0.437 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCC4)C3)C2)CC1 1835339982 XZQCRMOPBLVBCL-IBGZPJMESA-N 376.457 -0.158 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CSC(=N)N)CCO3)C2)CCC1 1835517001 PHOAYNCKERFOTH-QGZVFWFLSA-N 395.485 -0.237 30 20 GBED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1837377555 SLFIDIQOFQPQAX-CXAGYDPISA-N 381.433 -0.936 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1837702997 SFLRENSGYDHBEU-IGCXYCKISA-N 385.486 -0.548 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCO2 1839670297 BSNLGIPGECBWEJ-GOSISDBHSA-N 392.412 -0.407 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839883203 VIZJTJJQRFFILK-DNVCBOLYSA-N 397.472 -0.440 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNC(=O)c1ccccc1)CCO2 1840800873 WKKORCACOZKCJH-NRFANRHFSA-N 399.447 -0.104 30 20 GBED CS(=O)(=O)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 48293251 RRCDPMXLRWYWJW-UHFFFAOYSA-N 385.467 -0.423 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccn(CCC(N)=O)n1 268841336 OTLDYEYBPCOCJD-NSHDSACASA-N 390.425 -0.064 30 20 GBED COCCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1=O 271146006 YMAHLQFXTZSESM-CYBMUJFWSA-N 394.453 -0.458 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(C3CCN(C)CC3)CC2)C1=O 299473651 CNFLYBZUCYRPGC-UHFFFAOYSA-N 391.472 -0.362 30 20 GBED CC(C)[C@H](/C(O)=N/CCN1CCS(=O)(=O)CC1)N1CCCS1(=O)=O 329833489 KSLCVISGJCTSFN-CYBMUJFWSA-N 381.520 -0.267 30 20 GBED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)CC2(C#N)CC2)c1 463420537 UPKCVFJVEFIVLE-UHFFFAOYSA-N 386.455 -0.244 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1 470245650 BKKHKUBTJQDXFN-TZMCWYRMSA-N 380.426 -0.359 30 20 GBED Cc1ncc(S(=O)(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C#N 489124878 QVRIUFLKVXGGEY-LBPRGKRZSA-N 386.455 -0.767 30 20 GBED N#Cc1ccc(NCC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 508399994 QLUXHDKPCIKXEK-HOTGVXAUSA-N 378.454 -0.728 30 20 GBED C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)NCCN(C)C 552309304 DCJVDRASVOQHRE-CYBMUJFWSA-N 380.470 -0.344 30 20 GBED C[C@H]1OCC[C@@]1(O)CNS(=O)(=O)c1cccc(S(=O)(=O)NCC#N)c1 578143237 GSZVYNVQAVNSMR-BXUZGUMPSA-N 389.455 -0.693 30 20 GBED CN(C)S(=O)(=O)NCC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 596781611 BOVBEKZSDMBYHA-UHFFFAOYSA-N 382.446 -0.532 30 20 GBED Cn1c(N[C@H]2CCCN(CCN3CCOCC3)C2)c(C#N)c(=O)n(C)c1=O 603424456 WWMIYJQMUFYJAX-AWEZNQCLSA-N 376.461 -0.836 30 20 GBED Cc1cccc(S(=O)(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1C#N 611015896 GWQJUDHRQHHYCM-UHFFFAOYSA-N 386.499 -0.278 30 20 GBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCN1CCN(C)CC1 631781870 WGMAMKXKKCSTLK-HNNXBMFYSA-N 379.548 -0.371 30 20 GBED CC#CC[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 649191146 MEZLFOXLKAFKAJ-AWEZNQCLSA-N 379.438 -0.689 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 756752903 UECZGAIDCMINKN-ZJUUUORDSA-N 387.418 -0.970 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2c(C)nn(C)c2C)c1=O 758039297 BUHIRGGWXCJDGZ-UHFFFAOYSA-N 381.461 -0.301 30 20 GBED C#CCN1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)CC1 779484168 KOEDQLZCWVTSHT-DOTOQJQBSA-N 379.482 -0.200 30 20 GBED N#CCCNC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 782340347 VQZJLJZTKOWJTM-OCCSQVGLSA-N 399.400 -0.477 30 20 GBED C#CCOc1ccc(NC(=O)C(=O)N(CCO)CCN2CCOCC2)cc1 783469313 JFFJCLXHDSSEFO-UHFFFAOYSA-N 375.425 -0.210 30 20 GBED CC(C)C(CS(=O)(=O)N(C)C)=NNC(=S)NCCN1CCOCC1 794868129 GCPQFDGAHDXVDA-UHFFFAOYSA-N 379.552 -0.314 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCCC(=O)N3)CC2)o1 800245428 FRTUAQJPLIHRKD-GFCCVEGCSA-N 375.385 -0.285 30 20 GBED N#CCNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 804820201 BFGJPOZFQRPPEZ-KKTNHOPESA-N 383.408 -0.454 30 20 GBED N#Cc1cncc(S(=O)(=O)NC(=O)CN2CCN(c3ccccn3)CC2)c1 813981247 WHAJKQHKHQTFPZ-UHFFFAOYSA-N 386.437 -0.025 30 20 GBED CC(C)C[C@H](CNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(=O)O 818656876 MEZJTXJPIWWIND-LYZGCBJASA-N 380.401 -0.508 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)CC2)cc1 822825279 AQEYHPOGEXLDDS-UHFFFAOYSA-N 378.400 -0.326 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCC[C@@H]1c1nc(=N)n(C)[nH]1)c1cc[nH]n1 846066879 ICMYMNRLLSKLQO-LLVKDONJSA-N 390.404 -0.402 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)CC3)CC1 848435402 UBRKMHPIQGSHOI-UHFFFAOYSA-N 375.450 -0.129 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCOC(=O)N3)CC2)cc1 858181226 IVEZBZDZAOZOSK-CQSZACIVSA-N 378.410 -0.110 30 20 GBED Cn1c(=O)c2cc(C(=O)OCCOCCOCCC#N)n(C)c2n(C)c1=O 861320214 ZAWFSMOQFGKUBB-UHFFFAOYSA-N 378.385 -0.321 30 20 GBED CCN1CCN(CC(=O)OCC(=O)Nc2oc(C)c(C)c2C#N)C(=O)C1=O 919148223 WZLZSDADSSGDCT-UHFFFAOYSA-N 376.369 -0.059 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H](OC)C2)cn1 946759106 CHTFLBHAGAHPPS-QKPAOTATSA-N 386.408 -0.949 30 20 GBED C=CCCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3C[C@@H](C)CC(=O)N3)C2)nn1 964605534 QQLXOICWIOCPGY-BHPKHCPMSA-N 390.444 -0.930 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1C 988517660 MUNPIWLTYMFTOL-CXTNEJHOSA-N 390.444 -0.536 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CNCC(=O)N2CCNC(=O)C2)C1 1106146816 LPWLOKRZILFKLB-VQHPVUNQSA-N 392.500 -0.390 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CCCC(=O)N1 1109432276 IFOUUKBAYNEAOC-MQYQWHSLSA-N 377.445 -0.612 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc2nnc(O)n2c1 1109834001 FJFLBRQGJHLTSL-RZFFKMDDSA-N 382.424 -0.092 30 20 GBED C=CCCCCCN(C)C(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 1117182299 MMHXUSQQZXRKHS-UHFFFAOYSA-N 375.491 -0.031 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(Cc2ccccn2)CC1 1117585926 APZDBASRXDTUEL-UHFFFAOYSA-N 380.470 -0.557 30 20 GBED CNC(=O)[C@H](O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1117720961 IAMJNVCYEBTRNF-OAHLLOKOSA-N 394.453 -0.818 30 20 GBED C=CCOCCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1261582580 XFPBIZDWOMZAGM-CQSZACIVSA-N 391.490 -0.796 30 20 GBED COCC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1315967621 WPNGIAKZWUXCBP-GUYCJALGSA-N 380.449 -0.067 30 20 GBED CN(CCNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C1CCCC1 1323390359 ZWIAOSMQKNAYBE-NXVVXOECSA-N 377.445 -0.380 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 1323588270 SJFXKGBIIMDEIR-CQSZACIVSA-N 393.465 -0.093 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C 1327247718 KRFCHDOREZSVCY-KBPBESRZSA-N 384.477 -0.029 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H](N)CCO3)C2)nn1 1327404872 BYLKLYLSBILNDE-SQWLQELKSA-N 376.461 -0.175 30 20 GBED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCN3CC[C@H](O)C3)C2=O)cc1 1329626086 KUCVFPLUTPMGPL-HOTGVXAUSA-N 385.424 -0.054 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)[C@@H]1CCCO1 1347565192 IRMNJEHQXIJOFR-AUSJPIAWSA-N 398.419 -0.346 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 1352716874 GOXOJKLBBSNBLD-MRXNPFEDSA-N 379.457 -0.372 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC[C@@H](CCNCC(=O)NCc2cnn[nH]2)C1 1575013855 UYFJIZBQUXYLPB-CABCVRRESA-N 376.461 -0.323 30 20 GBED C=CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)CC(=O)NCc2cnn[nH]2)C[C@H]1O 1575078686 MYXSJRIISFZBSE-UONOGXRCSA-N 392.460 -0.509 30 20 GBED N#Cc1cc(C(=O)N2CCO[C@@H](CNc3nccnc3-c3nn[nH]n3)C2)c[nH]1 1581864313 QPMWLCJTGRTOEP-LBPRGKRZSA-N 380.372 -0.190 30 20 GBED C#CCNC(=O)CN1CCC2(CC1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 1588353977 CKINRHLYZFCGQA-UHFFFAOYSA-N 382.428 -0.518 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2nc(C)cc(-c3nn[nH]n3)n2)C1 1588358203 VGLBSGLLECVNGL-SJCJKPOMSA-N 386.416 -0.939 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O 1588504218 JSGJVOJQDIOOOG-RKVPGOIHSA-N 390.419 -0.006 30 20 GBED C=CCn1c(C[C@H]2SCCNC2=O)nnc1N1C[C@H](C)O[C@H](C(=O)O)C1 1588896357 BMFWKMXQPOTFQS-SDDRHHMPSA-N 381.458 -0.084 30 20 GBED COCCCS(=O)(=O)N1CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1591419268 REKJWAHHWADSLH-UHFFFAOYSA-N 393.433 -0.983 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(NC[C@@H](O)CN(C)C(=O)CSCC#N)n1 1591895822 HYTCDHLRWZNBDO-SNVBAGLBSA-N 377.434 -0.547 30 20 GBED N#Cc1nccc(N2C[C@@H]3C(CNC(=O)c4ccc(-c5nn[nH]n5)[nH]4)[C@H]3C2)n1 1592708805 QOSURQBRBUPSLP-GHMZBOCLSA-N 376.384 -0.031 30 20 GBED Cc1cc(O)nc(N2CCC[C@H](NS(=O)(=O)N3CCO[C@@H](C#N)C3)C2)n1 1671505570 STDJTPOESSLYIZ-STQMWFEESA-N 382.446 -0.482 30 20 GBED C[C@@H]1OCC[C@]1(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1708277735 IHLCXFMIPZJOJH-MRHIQRDNSA-N 376.417 -0.502 30 20 GBED N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCOCC2)CCO1 1750387366 WWEHBAQPHJKFSF-AWEZNQCLSA-N 390.444 -0.216 30 20 GBED CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nnn(C)n1 1767771677 JJYPXQZPJTUESM-UHFFFAOYSA-N 380.416 -0.039 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1 1778000541 QQTXPKTVERLAPI-NRTGNBEESA-N 382.505 -0.641 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[nH]n3)C[C@@H]21 1783529623 UKQFYKPSLKHSEQ-MYVDIJBLSA-N 387.440 -0.139 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(C)=O)C[C@@H]21 1788576407 SEWLKYINDMBNSR-YHUYYLMFSA-N 381.473 -0.325 30 20 GBED COC(=O)C1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)CC1 1790889173 KKGNBTWEJBYFKM-AVGNSLFASA-N 378.381 -0.993 30 20 GBED C[C@](O)(CC(=O)O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1791279735 BKQUYLVKTPLYMC-ZKNHNOBHSA-N 392.452 -0.005 30 20 GBED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 1792171391 WGRMGPKBIKZQHW-JYJNAYRXSA-N 387.436 -0.305 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1794204658 ADYZKIAGRUEWBO-RGDJUOJXSA-N 376.413 -0.739 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H](O)C1)C2 1795598082 CPGVRUQXHSNVMN-PWFLSRTFSA-N 378.473 -0.371 30 20 GBED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nccn1 1799408497 MKMIULFQLVYMBX-JLVBRIDZSA-N 377.445 -0.150 30 20 GBED CN(CC(=O)N1CC[C@@H](CNC(=O)CC#N)[C@H]1c1cccnc1)C(=O)C(=O)O 1806289571 PJQWJTWPFLQAMU-XJKSGUPXSA-N 387.396 -0.456 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CNC(=N)N)[C@H]1c1cccnc1 1807053140 XEISGTWYROVNOT-UKPHBRMFSA-N 386.456 -0.391 30 20 GBED C[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)n1cncn1 1830064296 IJPYVGFOSDRKNB-KBXCAEBGSA-N 390.444 -0.155 30 20 GBED CC(C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1832316842 DIJGHGUTFBJSSN-SFHVURJKSA-N 382.413 -0.654 30 20 GBED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cnsn3)CC2)CC1 1833979948 IWXUADHLGIESDF-UHFFFAOYSA-N 391.453 -0.189 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1834757945 CFDPDZRWAXNNAQ-CQSZACIVSA-N 375.328 -0.534 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)C)CCO2)C1 1835880402 ROQNARYHICAFSW-YLJYHZDGSA-N 395.500 -0.131 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1835994046 QEXLDYKREJFPFJ-OAQYLSRUSA-N 399.447 -0.282 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1839840539 HQPDOEKVBLGLGP-YJBOKZPZSA-N 377.445 -0.053 30 20 GBED NC(=O)[C@H](N)CCC(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1842945563 DWRMLMZCYUJEKX-WKPBUIIDSA-N 395.460 -0.688 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)c1nccnc1C(N)=O)C2 1844237757 LHUCAIYXSKXCJS-GFCCVEGCSA-N 387.440 -0.034 30 20 GBED N#Cc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](N)CCC(N)=O)cc1 1847307856 FRQNZZLXYUUALH-ULQDDVLXSA-N 383.452 -0.105 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3cnccn3)CC2)c1=O 26663953 ILDHAEKEABBEOK-UHFFFAOYSA-N 385.428 -0.887 30 20 GBED COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 274131896 WHHLZBDXXIBORU-LBPRGKRZSA-N 376.387 -0.342 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCC1(OCCO)CCOCC1)c1cc[nH]n1 282257277 WGOVYHNWDFWNPU-RCCKNPSSSA-N 398.416 -0.632 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1=O 289161414 PZUJNFSKVSJIHC-HNNXBMFYSA-N 379.505 -0.626 30 20 GBED CC(C)[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N[C@H](C)C#N)CCN1C 349471075 DFVMHETWDJGRPG-KGLIPLIRSA-N 380.536 -0.190 30 20 GBED CN(C1CC(O)C1)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 349490876 GYTSITMKPGLHLC-OTTFEQOBSA-N 397.544 -0.568 30 20 GBED COC(=O)[C@H]1[C@H](O)CCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 376967617 MHYAUFMAKYEYBT-GDBMZVCRSA-N 391.428 -0.498 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3(O)CCOCC3)CC2)cc1 408309887 OPFHXNMLDZRZAK-UHFFFAOYSA-N 379.438 -0.067 30 20 GBED CN(C)S(=O)(=O)c1ccccc1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 409540259 AAUCPHORUKRLTO-ZDUSSCGKSA-N 388.471 -0.504 30 20 GBED COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1 419826417 NZIMOGMWHASFHX-ZDUSSCGKSA-N 376.344 -0.084 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(OCC(=O)N(C)C)C1 482324517 HWBPNFWHVDTMTL-GFCCVEGCSA-N 394.453 -0.459 30 20 GBED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NCC)CC1 508825233 JFUPGHGUFJXGGG-ZDUSSCGKSA-N 399.521 -0.668 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnccc2=O)CC1 530684343 BGGHEIQBLFDBGV-UHFFFAOYSA-N 387.421 -0.352 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CO)COC)cc1 565229031 JWKDJVGZFZJMEM-RYUDHWBXSA-N 391.471 -0.447 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCC1=NNC(=O)C1 597664201 HOXFYTKSAPMVPE-NSHDSACASA-N 377.426 -0.003 30 20 GBED CN(CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)S(C)(=O)=O 611359128 AXOMMQMHZJRROD-UHFFFAOYSA-N 384.462 -0.154 30 20 GBED COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1CC(=O)NCCC#N 731811056 JNISPYMSNHULFN-UHFFFAOYSA-N 390.381 -0.617 30 20 GBED NC(=O)CCn1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 735451398 JHOBOSFACPOQDC-UHFFFAOYSA-N 376.398 -0.564 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](CN3CCCC3)C2)c1=O 739876506 UGEDMKDTMWPGPR-MRXNPFEDSA-N 375.473 -0.081 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(NN=Cc2cn(C)c(=O)n(C)c2=O)nc1 807182693 INOFCEABFWVKHI-UHFFFAOYSA-N 394.457 -0.045 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(CN(C)C)cc1 814883444 NXLUEYFHQUHIMM-UHFFFAOYSA-N 393.469 -0.152 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCCN1CCNC(=O)C1 823909432 DFIDIRGVCCCERG-UHFFFAOYSA-N 384.444 -0.004 30 20 GBED CCCCN(C(=O)Cn1cnc(-c2nn[nH]n2)c1C#N)[C@@H]1CCS(=O)(=O)C1 825281697 JDSYMVBGFVRCHJ-LLVKDONJSA-N 392.445 -0.249 30 20 GBED C#CCC[C@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc[nH]n2)cc1 848942659 RGVGKSXWXBBEOD-NSHDSACASA-N 399.454 -0.342 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N[C@@]1(C)CCOC1=O 848963326 PIQHXFJWLGVJJN-ZDUSSCGKSA-N 381.476 -0.435 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@](O)(CCCCCC)C(=O)OC)CC1 851872749 LEIGGALJQLDNEH-QGZVFWFLSA-N 389.518 -0.054 30 20 GBED CCOCCCNC(=O)[C@H](C#N)C(=O)CN(C)S(=O)(=O)c1cccnc1 916866884 KUTYGZPEGZBFNE-CQSZACIVSA-N 382.442 -0.046 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2nnc(O)nc2O)[C@H](OC)C1 943808415 XHXGIXFQUAPKGD-WISYIIOYSA-N 393.400 -0.780 30 20 GBED CO[C@@H]1CN(c2ccc(C#N)cn2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1042979152 MXZFVVDVUMUWQQ-LVQVYYBASA-N 387.440 -0.091 30 20 GBED C=CCn1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)nn1 1058225143 UTOLYVVLXAUXQG-OFQRWUPVSA-N 377.445 -0.170 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CC#CCOC)[C@H]2CS(=O)(=O)C[C@H]21 1108482074 QPKHGVLSZUDLGF-TWMKSMIVSA-N 382.482 -0.463 30 20 GBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCn1ncn(C)c1=O 1109555760 FTMUBMHPAYIYEQ-XGUBFFRZSA-N 376.461 -0.616 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CC(=O)N(CCOC)C1 1110615385 QHPXIRGUOIWJPO-JJXSEGSLSA-N 378.473 -0.495 30 20 GBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 1116908649 SOWVVZFSYMWOMO-CQSZACIVSA-N 375.381 -0.582 30 20 GBED CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC2CCN(CC#N)CC2)CC1 1117085978 PATKXYQOGSBQTD-INIZCTEOSA-N 378.521 -0.520 30 20 GBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C(C)C)C[C@@H]1n1ccnn1 1129855717 QDFYSHFFMWGKKB-DFGXFYAUSA-N 390.488 -0.017 30 20 GBED C#CCN1CCC(c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2CC=C)CC1 1262976104 ZKIPCDMENBAQSG-INIZCTEOSA-N 397.483 -0.576 30 20 GBED C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(C)(=O)=O 1288525219 LBFROAZHCUJOGD-RYUDHWBXSA-N 389.503 -0.037 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCO[C@@H](c3cnn(C)c3)C2)C1=O 1326768112 OLPAXBJLNXLDDD-QWHCGFSZSA-N 375.385 -0.267 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2nnn(C(C)(C)C)n2)CC1 1329142115 KJPCMNMMTGPQNW-UHFFFAOYSA-N 375.433 -0.968 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[nH]n3)C[C@@H]2O)c1 1571140063 OKKNCRMTNOSLNZ-JSGCOSHPSA-N 379.384 -0.169 30 20 GBED C#CCNC(=O)CNC[C@H]1CN(C(=O)CCCCc2cnn[nH]2)CCCO1 1575005265 ZAKMIHONLQUUBZ-INIZCTEOSA-N 376.461 -0.526 30 20 GBED N#Cc1ncc(N2CCN(C[C@H]3CCCS3(=O)=O)CC2)nc1-c1nn[nH]n1 1581882427 YGXNCFDMGSVKQY-LLVKDONJSA-N 389.445 -0.772 30 20 GBED C#CCNC(=O)CNC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588354762 YTEZPEUTUMGPIS-SWLSCSKDSA-N 384.444 -0.226 30 20 GBED C[C@@H](C(=O)N1CCN(c2cnccc2-c2nn[nH]n2)CC1)n1cnc(C#N)n1 1603003459 PGOVWAJJEONRSC-NSHDSACASA-N 379.388 -0.365 30 20 GBED CC(C)N(CCCNC(=O)CN1CCC(C#N)(C(=O)O)CC1)S(C)(=O)=O 1603880229 NYUHGQHYYNZNOD-UHFFFAOYSA-N 388.490 -0.147 30 20 GBED Cn1c(C#N)ccc1C(=O)NCCCNC(=O)c1ccc(-c2nn[nH]n2)n1C 1609475638 NADQXXQIERUUBO-UHFFFAOYSA-N 381.400 -0.035 30 20 GBED CCO[C@@H]1C[C@H](O)C12CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)CC2 1628551016 QWJYKVZCGMVJQT-UONOGXRCSA-N 376.413 -0.011 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1781272105 WPVPFUAOYFWTSG-LJQANCHMSA-N 395.456 -0.148 30 20 GBED Cc1nnsc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1787633583 YDYBWWRBXDZOHE-SRVKXCTJSA-N 378.410 -0.472 30 20 GBED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2C1 1788654271 BNSGZFQMVTXNQR-WDHIOAMHSA-N 395.500 -0.171 30 20 GBED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2 1792629014 FVEKLUMZOPIDRI-FVCICTRLSA-N 388.424 -0.559 30 20 GBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1800999539 WNTYDKAPRMEWLW-FVCICTRLSA-N 387.440 -0.204 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnc(O)nc2O)C3)CCC1 1801980479 FBKXAFGJNLKYHP-PTEHBNRSSA-N 387.396 -0.215 30 20 GBED C[C@H](CC(N)=O)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1803672773 VLIICFMPPWYUOQ-RVZJWNSFSA-N 386.408 -0.313 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCOC1=O)CC2 1825661034 FWELVDBEEUTTSZ-SECBINFHSA-N 392.393 -0.405 30 20 GBED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1829782099 LSOAZYILDSKGLO-HNAYVOBHSA-N 382.505 -0.279 30 20 GBED CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1830042891 SILGLEWTEATWCR-SFHVURJKSA-N 393.444 -0.982 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)C1 1831013589 RWXAZPUOJHQLJD-LJQANCHMSA-N 393.440 -0.139 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1831396034 HILVFHXQORNASD-UGSOOPFHSA-N 392.412 -0.776 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1831485263 AHKYTLYLDZLOOO-YEWWUXTCSA-N 399.513 -0.324 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H]1CCCCO1)CCO2 1832349839 CFKZEQRSHQGYPB-HNAYVOBHSA-N 394.424 -0.510 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(OC)OC)C2)C1 1832446503 ACFZWSLHZBJQMD-KRWDZBQOSA-N 388.486 -0.019 30 20 GBED N#CCC(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)CC1 1834397100 YGDOYJLDROGNCJ-AWEZNQCLSA-N 375.473 -0.002 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 1838632454 CCBYSPZUKXLKBJ-IBGZPJMESA-N 386.408 -0.747 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839437304 QEJRNQZYSGVVIJ-FQEVSTJZSA-N 395.419 -0.030 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2 1840183330 YNVIDWLXRPIAOP-RBUKOAKNSA-N 396.440 -0.528 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1 1842944707 MBAQMZDJOHFYKA-CYBMUJFWSA-N 378.477 -0.936 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2ccc(NC(N)=O)cc2)c1=O 26606386 WWUIEEBJXKETLN-UHFFFAOYSA-N 385.380 -0.083 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)N(C)CCc2ccccn2)C1=O 66491106 GCLIBICKHBDYDQ-UHFFFAOYSA-N 387.396 -0.825 30 20 GBED CN(C)C(=O)C/N=C(/NCC(=O)N(C)C)N1CCC[C@@H](C2(C)OCCO2)C1 262269927 GNYVHCVXGGHVNH-CQSZACIVSA-N 383.493 -0.417 30 20 GBED COCc1cccc(/C=c2\s/c(=C(/C#N)C(=O)N3CCOCC3)n(C)c2=O)c1 266464054 HKMUQLQJUVTGQP-FFPQGCKOSA-N 399.472 -0.045 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cn(CC(C)C)cn2)CC1 267227335 FDJXYJBPWTZTPY-UHFFFAOYSA-N 381.502 -0.015 30 20 GBED O=C(CN1CCC[C@@H]1/C(O)=N/C1CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 329007845 NOPKVFCGAOGKQY-JKSUJKDBSA-N 398.529 -0.099 30 20 GBED O=S1(=O)CCC[C@H](N/C(O)=N/CCS(=O)(=O)N2CCSCC2)C1 329804387 ZYXWFRHLMMDXQC-NSHDSACASA-N 385.533 -0.554 30 20 GBED CNC(=O)[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCO1 364675814 MLGWKFBJKMXMHM-LSDHHAIUSA-N 391.497 -0.096 30 20 GBED C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 410153841 GJTLYIYIFZPWHD-AAEUAGOBSA-N 388.471 -0.204 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](OCCN(CC)CC)C2)C1=O 471579843 CNXCEAHRZHUMAZ-CQSZACIVSA-N 380.445 -0.078 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCN2CCC2)cc1 518795942 KIHLUGRUPASAQR-UHFFFAOYSA-N 397.482 -0.292 30 20 GBED C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCCn1cnc(C#N)n1 557662399 BLXVKHVNEJURRX-AWEZNQCLSA-N 384.318 -0.102 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H]3COCCO3)C2=O)cc1 560240880 KVBYYTNLOZEXJU-CVEARBPZSA-N 386.408 -0.299 30 20 GBED CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 589886143 IMHCCZUAPVYIBX-UHFFFAOYSA-N 376.435 -0.190 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)NC[C@H]1C[C@@H](O)C1 600767478 QVRWPVVVMXSRRG-RWMBFGLXSA-N 397.544 -0.662 30 20 GBED CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccc(C#N)s2)CC1 619547230 MUJIZZJRZMQSGL-UHFFFAOYSA-N 378.501 -0.525 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)Cc2csc(-c3nc[nH]n3)n2)CC1 733150470 KKTFCKUUCPGNFO-UHFFFAOYSA-N 387.469 -0.246 30 20 GBED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N(CC#N)CC(=O)O)C1 738822862 GGSIKUPAFOMPQV-GFCCVEGCSA-N 383.430 -0.136 30 20 GBED C#CCN(C)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 760525289 RMDFVLDJGVAJPR-ZDUSSCGKSA-N 395.437 -0.538 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NCCOc2ccc(F)cc2)CC1 761032573 KRGSOIQPDIBUSS-UHFFFAOYSA-N 398.460 -0.594 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N1CCOCC1 766348074 BBGUAJXVSQIIJG-LBPRGKRZSA-N 381.410 -0.373 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)C(=O)N1CCNC1=O 767673989 DCEOSFSCXNVJIO-QWRGUYRKSA-N 394.409 -0.291 30 20 GBED CC1(C)COC(=O)[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 848955525 CQNDBETXSMERSV-GFCCVEGCSA-N 387.439 -0.282 30 20 GBED C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N)CC1 848962630 KGSIFSSVXFOGIU-AWEZNQCLSA-N 376.504 -0.869 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ncccn1)[C@@H]1CCCO1 848963264 OCMKHFIHLKIZEZ-OLZOCXBDSA-N 388.471 -0.291 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 968762815 YFTZHKCQPSUWJT-OJLVUWQFSA-N 388.424 -0.537 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cncn1C 993598256 BJHQTWPTXVOPEQ-LWGWVAHUSA-N 389.456 -0.313 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2C(=O)CNC2=O)nc1 1006466028 NZPRWAGFVTWUME-YUELXQCFSA-N 381.392 -0.524 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2ncnn2)[C@H](C(F)(F)F)C1 1008869317 PSRBWMJTQHWUNF-KKOKHZNYSA-N 388.350 -0.230 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3nnc(O)n3c2)C1 1024594559 ISVJOXJHNDMGSJ-SYQHCUMBSA-N 387.396 -0.673 30 20 GBED C#CCNC(=O)CC(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1074743960 SXNQWFGQCXMLCV-KFWWJZLASA-N 377.441 -0.837 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(Cc2cnon2)[C@H]2CS(=O)(=O)C[C@H]21 1094661994 AESSXIYCUKIHAO-BARDWOONSA-N 382.442 -0.530 30 20 GBED C=C(C)CN(C)C(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1118823154 BQYMVPAKWZDGIO-UHFFFAOYSA-N 383.474 -0.404 30 20 GBED CS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1 1255288366 KQLLUOVGMXLXMY-UHFFFAOYSA-N 384.389 -0.326 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)CCO1 1256936520 FZCFUZAFNSQTSP-QGZVFWFLSA-N 399.451 -0.043 30 20 GBED 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N#Cc1cncc(N2CC[C@](O)(CNC(=O)c3cncc(-c4cnn[nH]4)c3)C2)n1 1577719775 ZNJZEEHKEAUHSV-SFHVURJKSA-N 391.395 -0.100 30 20 GBED COC(=O)[C@@H](Cn1cncn1)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1579436517 JPSSTRBXIKRERJ-UONOGXRCSA-N 395.383 -0.502 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CC(Oc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CCCO1 1588328002 WVCPBVYZCCMQDA-CVEARBPZSA-N 396.407 -0.247 30 20 GBED C#CCOCCC(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]21 1588359617 UDJCOVKTBIAUAW-IUODEOHRSA-N 383.412 -0.092 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2OC)C1=O 1588654623 LJTCFLQQTGXKIZ-UHFFFAOYSA-N 385.340 -0.209 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)nn1 1588712663 BJLSBLXEZDNCPV-GHMZBOCLSA-N 381.404 -0.311 30 20 GBED C#CCNC(=O)CN[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C12CCC2 1602722391 PNIKMGTXRAKYKX-KGLIPLIRSA-N 382.428 -0.425 30 20 GBED N#CCCCNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[nH]n3)cc2)n1 1606347959 GTRBWQJNRTVWOA-UHFFFAOYSA-N 380.372 -0.135 30 20 GBED N#Cc1cn(CC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)c(=O)nc1O 1639507850 SNFALAJHXYWGLM-UHFFFAOYSA-N 395.441 -0.763 30 20 GBED CCO[C@@H]1C[C@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)[C@@]12CCCO2 1686065442 YONOSWHTRMZFSN-AHIWAGSCSA-N 377.401 -0.154 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781105242 ZRFWODATRFGKED-IIDMSEBBSA-N 384.546 -0.230 30 20 GBED CC1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)CC1 1784321315 XETWJKBGKJWYFJ-ULQDDVLXSA-N 391.468 -0.214 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(C)=O)C[C@@H]21 1784483189 OGQAJBQCQTZRSW-KUHBDSFDSA-N 379.457 -0.471 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)C[C@@H]21 1784504234 FRPRIQDLILUTCL-LEOABGAYSA-N 379.457 -0.307 30 20 GBED C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)C2 1793579045 FJZGZFRPBXYBDN-PDWCTOEPSA-N 378.429 -0.186 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(=O)OC(C)(C)C 1796392923 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C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(OC)OC)C2)C1 1831418967 IVQRJJJEIYXNRY-KBXCAEBGSA-N 386.445 -0.347 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833410743 NRJKUCFWQFTOGX-ZBEGNZNMSA-N 384.458 -0.486 30 20 GBED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CC(=O)NC)CC2)CC1 1833465112 LYZOGUADZMQEKW-HNNXBMFYSA-N 392.500 -0.268 30 20 GBED CC[C@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)CC#N)CC2)CC1 1835055515 XRMWBXZKFGDZDE-HNNXBMFYSA-N 378.477 -0.081 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1840844533 ASXFCVDXDXYYSJ-KRWDZBQOSA-N 386.470 -0.709 30 20 GBED O=C(/C=N/N1CCCCC1)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841847876 SCXLBOZHXWJGPH-KEBDBYFISA-N 390.444 -0.787 30 20 GBED N/C(=N/Cc1ccc(S(N)(=O)=O)cc1)N1CCN(c2ncccn2)CC1 263113450 FGWZEFGHCKEQMT-UHFFFAOYSA-N 375.458 -0.239 30 20 GBED Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 265610886 OMSFJWXCPQTTBD-GJZGRUSLSA-N 399.494 -0.357 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1ccccc1OCC#N)C2 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COC(=O)CN(CC#N)S(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC 544615260 KQAZBYWKYZPUOV-UHFFFAOYSA-N 384.366 -0.053 30 20 GBED COCCCn1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)n1 560053153 RRMIZCJZPPQSLJ-UHFFFAOYSA-N 397.439 0.474 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCO[C@@H]3C3CC3)CC2)c1C#N 565627044 SKNAKMOVNVJDNI-HZPDHXFCSA-N 386.456 -0.068 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)c1 657100622 STFAYIOFUQOZST-KBPBESRZSA-N 388.467 -0.307 30 20 GBED C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cn1 728860469 SZSNSKUQVZFNKY-HNNXBMFYSA-N 397.478 -0.662 30 20 GBED CN1CC[C@@](O)(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 762715434 HDSWAHJMICPKQA-QGZVFWFLSA-N 380.470 -0.312 30 20 GBED COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3cccc(OCC#N)c3)C2)nn1 785334877 UTFUAGKMYDWLSN-UHFFFAOYSA-N 384.352 -0.011 30 20 GBED Cn1cc(S(=O)(=O)NN=C2CCO[C@H](C(F)(F)F)C2)c(=O)n(C)c1=O 814883202 DPCMZLQVEAVGSG-VIFPVBQESA-N 384.336 -0.540 30 20 GBED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1CCCN(O)C1=O 848135366 MKWVUXOEFVGYTL-RYUDHWBXSA-N 384.433 -0.002 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@@H]1O 964490593 WXADMPCTXXWXOS-UKMLZYKCSA-N 390.440 -0.052 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C[C@H]2CC(=O)NC2=O)cn1 1003982386 YFDIDENVSSOPNE-XZDPQHSOSA-N 380.404 -0.023 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@H]1O 1023907573 ANPNGTPYELRANC-NHIYQJMISA-N 377.445 -0.204 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1O 1023960355 HBAXFLRIYFKTKX-XOUADPBQSA-N 375.425 -0.332 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1071083417 VKVZGVZQLLISBN-JTOWHCCKSA-N 377.441 -0.715 30 20 GBED CC#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)n1 1130220815 MPNSXJLHHPAABR-FXUDXRNXSA-N 390.488 -0.375 30 20 GBED N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCn2ccnn2)CCO1 1316535353 KWYWDEUUFTZVHO-CQSZACIVSA-N 385.432 -0.075 30 20 GBED Cn1ccnc1[C@@](O)(CCNC(=O)C(=O)N1CCO[C@@H](C#N)C1)C(F)(F)F 1321698617 RJZBVMBUOBRDGG-HZMBPMFUSA-N 389.334 -0.573 30 20 GBED CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)C(=O)N2CCC(C)(C#N)CC2)C1=O 1323798705 JKXRBXMSGQVWKD-KZULUSFZSA-N 375.429 -0.025 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(CC3CCOCC3)CC2)nn1 1325946636 IAKSMKPJNQKGIB-UHFFFAOYSA-N 376.461 -0.349 30 20 GBED CN(C[C@@H]1COCCO1)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1327951791 JANBGLDEJTXRFM-MRXNPFEDSA-N 387.440 -0.088 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C)c3ccccc32)CC1 1330914841 GTZALCPRRJWFCD-HNNXBMFYSA-N 390.465 -0.252 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1346265272 MSMQQYSUGDGQMC-WUKNDPDISA-N 389.456 -0.214 30 20 GBED Cn1cc(C(=O)NCC2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)cn1 1346646616 YBGCEEGXLSECBV-UHFFFAOYSA-N 385.432 -0.265 30 20 GBED C=CCn1c(CN2CCC[C@@H](O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1355968648 MBHZZTWBMLTCBG-LSDHHAIUSA-N 398.533 -0.109 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)CCO1 1475612928 NLPYMHMNDNHIJP-LBPRGKRZSA-N 386.455 -0.839 30 20 GBED N#Cc1ccc(C(=O)N2CCO[C@@H](CNc3cnc(-c4nn[nH]n4)cn3)C2)[nH]1 1571153899 UYGVOCZPXYBVIS-NSHDSACASA-N 380.372 -0.190 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1573286351 ZHUYIHISGWSFRT-WFASDCNBSA-N 382.428 -0.377 30 20 GBED C=CCOCC(=O)N[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2Cl)C[C@@H]1O 1588675533 ISLCGEYBNQJJQZ-NEPJUHHUSA-N 379.808 -0.217 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)NCc1nnn(C)n1 1602853527 CFFZIDUSBRLYEP-UHFFFAOYSA-N 382.388 -0.779 30 20 GBED C=CCn1cc(C(=O)NC[C@H](CO)Nc2snc(C)c2-c2nn[nH]n2)nn1 1602882850 WXHZKGYAEDPFRU-SECBINFHSA-N 390.433 -0.388 30 20 GBED N#CCC1(CNC(=O)C(=O)N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CC1 1606346441 QZEXOJGZOSVAIY-UHFFFAOYSA-N 395.427 -0.280 30 20 GBED N#CCSCC(=O)NCC1(Nc2nccnc2-c2nn[nH]n2)CCOCC1 1606351476 SZXGUGCKXJUKBJ-UHFFFAOYSA-N 389.445 -0.009 30 20 GBED CNS(=O)(=O)N1CCN(S(=O)(=O)c2c(C)cc(F)cc2C#N)CC1 1655313159 MWFWGYCZORTJNC-UHFFFAOYSA-N 376.435 -0.224 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778154706 YYDFWOFQTXPLDV-BEFAXECRSA-N 393.440 -0.303 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1778970397 ZCIDUVFRPVYSAO-DYVFJYSZSA-N 388.486 -0.566 30 20 GBED N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1781649884 GEBRPIKNBQBXER-JJRVBVJISA-N 383.470 -0.009 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1783565710 XXOUBQOFQKTSJS-IBGZPJMESA-N 382.376 -0.134 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnnn3C)[C@H]2C1 1785460156 XGIQZBZRGMONJF-YXWQFLTLSA-N 377.445 -0.001 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCCCC3)C[C@@H]21 1791075891 AIZWDJFDXAVGIY-ULQDDVLXSA-N 391.468 -0.070 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCC)NC(C)=O)C2 1793349786 JIKORRANVNILKB-JFMONLCZSA-N 393.484 -0.081 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1ccnn1 1801390224 CTTPFOWXFGIPDN-MPTYRVRUSA-N 377.445 -0.151 30 20 GBED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801986418 BZJGEVSSWJMBJP-RVMXOQNASA-N 385.442 -0.960 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=COCC3)C2)C1 1831402815 SBYHOMPKZNHHGD-DNVCBOLYSA-N 378.425 -0.215 30 20 GBED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1837376563 CBXSEDUCSXICLD-KBXCAEBGSA-N 395.460 -0.546 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1839224771 OMRPZUFQAUZUBQ-GJYPPUQNSA-N 394.472 -0.228 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1839806469 PVFJVURDSKSMAR-FXAWDEMLSA-N 386.404 -0.084 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1839807893 GIJQDZKKPQQXFH-LJQANCHMSA-N 398.423 -0.556 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1839810923 YDDXOKZZTRTGRH-KUHUBIRLSA-N 395.456 -0.011 30 20 GBED Cc1nccn1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840163479 IDURBIRSRZXRHI-DYVFJYSZSA-N 382.486 -0.034 30 20 GBED O=C1NC(=O)[C@H](CC(=O)N2CCCC23CN(C(=O)C#Cc2ccccc2)C3)N1 1841959387 ORUJSXGCBWGUIO-HNNXBMFYSA-N 380.404 -0.160 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O 1848128518 HBLNPIWBMMSERZ-NDBYEHHHSA-N 379.417 -0.413 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCCN2CCNC(=O)C2)c1 269904903 HUJSZEISRJUNQT-UHFFFAOYSA-N 378.454 -0.850 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)NCCN2CCNC(=O)C2)ccc1F 272635166 BOGWCTJZYZFHDL-UHFFFAOYSA-N 384.433 -0.548 30 20 GBED N#Cc1cc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)ccc1Br 293112882 PQGXEFGZYWYOAY-LLVKDONJSA-N 381.186 -0.028 30 20 GBED CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](O)C(C)(C)C1 349456765 DQKWQEBOBMTUAY-CHWSQXEVSA-N 381.520 -0.027 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)[C@@H](C)C1=O 349475713 NNCOEVRGQFQTKR-RYUDHWBXSA-N 380.492 -0.910 30 20 GBED CC1(C)CNC(=O)CN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)C1CC1 349495233 OIEIPTMWRVZZOE-UHFFFAOYSA-N 392.503 -0.766 30 20 GBED C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)CCCCS(=O)(=O)N(C)CC#N 349622307 QYQQTJUAOKMZRB-GIYNXVAASA-N 399.560 -0.277 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)cc1 370862968 SVFIKZQDMGTPDF-CYBMUJFWSA-N 378.414 -0.122 30 20 GBED C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CCS(=O)(=O)C1 433634031 NUYCMSNJFPUWNQ-LLVKDONJSA-N 381.458 0.341 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCc2cccc(C(=O)NC)c2)C1=O 508032988 OTUWCANQNIHVDL-MRXNPFEDSA-N 386.452 -0.050 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 510258829 QGOXIYLBPZIGEJ-STQMWFEESA-N 382.508 -0.457 30 20 GBED Cn1cc(S(=O)(=O)NCC(=O)NCC#N)cc1C(=O)NCC(F)(F)F 511018120 RKXNETNMHQSFEW-UHFFFAOYSA-N 381.336 -0.765 30 20 GBED NC(=O)CNS(=O)(=O)c1ccc(C(=O)NCC#Cc2cccc(F)c2)o1 513916550 JGRQNGPPAUCWII-UHFFFAOYSA-N 379.369 -0.036 30 20 GBED Cc1ccc(C(=O)NCC(=O)N2CCOCC2)cc1S(=O)(=O)NCC#N 561817701 ZIRHJTVTCMUSTA-UHFFFAOYSA-N 380.426 -0.615 30 20 GBED C[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)S(C)(=O)=O 572069655 PKINKFIQCCHKBT-GFCCVEGCSA-N 379.442 -0.849 30 20 GBED COC[C@H](O)CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 581894672 BLVROUISCBMJLL-LLVKDONJSA-N 377.444 -0.836 30 20 GBED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)N1CC[C@@](O)(CC#N)C1 591957480 DWWVUHMQHABZQP-KRWDZBQOSA-N 396.469 -0.141 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)NCCN2CCNCC2)CC1 595280897 AJFOVSRGIDZBNV-UHFFFAOYSA-N 376.486 -0.710 30 20 GBED Cc1cc(N2CCN3C(=O)NC[C@H]3C2)c(C#N)c(N2CCN3C(=O)NC[C@@H]3C2)n1 596159636 QKAZRQCROMMMRX-UONOGXRCSA-N 396.455 -0.311 30 20 GBED N#Cc1cn(C2CN(C(=O)NCCNC(=O)c3ccccc3)C2)c(=O)nc1O 598962421 GXQPSQKVWCETFT-UHFFFAOYSA-N 382.380 -0.183 30 20 GBED C=C(CNC(=O)C1(C(=O)NC2CC2)CC1)CNC(=O)C1(C(=O)NC2CC2)CC1 620748588 WMQNIYPXHLIGEB-UHFFFAOYSA-N 388.468 -0.107 30 20 GBED C=CCNC(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(-n3cnnn3)cc2)C1=O 750967662 LURIPDIGZGKWGJ-KRWDZBQOSA-N 398.383 -0.559 30 20 GBED Cn1cc(S(=O)(=O)NN=C[C@H]2CCOc3ccccc32)c(=O)n(C)c1=O 771889986 CVFUNASOWPSIHU-LLVKDONJSA-N 378.410 -0.086 30 20 GBED Cc1ccc(C)c2c1NC(=O)C2=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771896493 AMHZQXWZDYFZKW-UHFFFAOYSA-N 391.409 -0.664 30 20 GBED COC(=O)[C@@H](Cn1ccnc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 811216576 NTJYBNODTIGDQS-CQSZACIVSA-N 391.409 -0.609 30 20 GBED C=CCNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 819751126 QQADDHBDIOEVCI-SNVBAGLBSA-N 394.413 -0.621 30 20 GBED N#C[C@H]1CNC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 843461865 XQTXEXFTMGEPSH-CABZTGNLSA-N 387.259 -0.045 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CC2(Cn3cnnn3)CCCCC2)CC1 845433628 WODQEWLNYOESJY-UHFFFAOYSA-N 387.488 -0.093 30 20 GBED O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCN(O)C1=O 848137639 DQDDMPSHIAQRDN-GFCCVEGCSA-N 386.386 -0.240 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N(C)[C@H]1CC(C)(C)OC1=O 848957341 JLRHLEQEWNUHAD-NSHDSACASA-N 381.476 -0.483 30 20 GBED C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)Nc2cccnc21 848965298 NAWBIKYHAOXUSS-NSHDSACASA-N 386.455 -0.499 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 862191959 QVLIQGJWKFGGPW-OAHLLOKOSA-N 377.445 -0.302 30 20 GBED COCCN1C(=O)c2ccc(C(=O)NCC#CCN(C)C)cc2S1(=O)=O 913516887 KOEWHQSRLJEFQT-UHFFFAOYSA-N 379.438 -0.228 30 20 GBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCN(C(=O)OCC)CC1 919945142 HNHDXYJULKYTFI-ZDUSSCGKSA-N 395.503 -0.320 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CCO2)C1 965389264 VDBFFDIZVQFRAT-FPCVCCKLSA-N 391.468 -0.068 30 20 GBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2ncn(C)c2=O)c1 1003784376 KYSRWSDQCNUSPH-OAGGEKHMSA-N 380.408 -0.480 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c(C)nn3cccnc23)C[C@H]1O 1025711078 CVSKLXBYEZAEEW-TUVASFSCSA-N 385.424 -0.070 30 20 GBED C#CCOCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1040529109 VQWMEMVYGPRVCL-BVYOLEPJSA-N 380.441 -0.843 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCn2cncn2)C[C@@H]1n1ccnn1 1070051751 NAMXAYNAEMAKKH-YVSFHVDLSA-N 386.460 -0.108 30 20 GBED C[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CNCC(=O)NCC#N 1106448281 CLYWEOXQALVTPO-TUVASFSCSA-N 379.461 -0.877 30 20 GBED N#CCn1cc(NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cn1 1116857047 DYHOLEBWWDBCSW-ZDUSSCGKSA-N 380.430 -0.628 30 20 GBED C=CCN(CC=C)C(=O)CN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@H](OC)C1 1213442381 OVJFTQFOLRQOKE-YYIAUSFCSA-N 392.500 -0.096 30 20 GBED COC(=O)NC1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 1323106317 RYFZDRASPLDWQI-UHFFFAOYSA-N 386.412 -0.395 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1 1324488328 CFTNIHWORVDUEM-KRWDZBQOSA-N 389.452 -0.534 30 20 GBED CN1C(=O)CC[C@@H](NC(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1=O 1325952117 FTASOEXWBLGEGT-HUUCEWRRSA-N 384.392 -0.278 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@@H]2CCc3nnnn3CC2)CC1 1326459214 MMVIMDMANAOXAU-OAHLLOKOSA-N 394.439 -0.285 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)C1=O 1327163636 CUUNOPAFWMLBPF-JKSUJKDBSA-N 390.484 -0.004 30 20 GBED N#Cc1ccccc1N1CCCN(C(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1335345066 YWNKEQLUZKKKIP-HNNXBMFYSA-N 390.465 -0.100 30 20 GBED C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1)c1cccc(C#N)c1 1338592125 JZRDQTKWSWGEIQ-ZDUSSCGKSA-N 393.469 -0.314 30 20 GBED C=C(C)Cn1c([C@@H]2CNC(=O)C2)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 1341938645 WDBSYFXLLQWRBC-STQMWFEESA-N 382.490 -0.024 30 20 GBED CCN(CC)C(=O)CN1CCN(c2nnc(Cn3cnc(C#N)n3)n2C)CC1 1344884572 BSFWJUHPZQTBSV-UHFFFAOYSA-N 386.464 -0.683 30 20 GBED C#C[C@@H](NC(=O)C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1)[C@H]1CCCO1 1347268982 JCWVARKVYZXBSK-HUUCEWRRSA-N 399.513 -0.008 30 20 GBED C#CCCCC(=O)NCC1(NC(=O)CC(=O)NCc2cnn[nH]2)CCOCC1 1574866418 DVVNMVVJDLWPLA-UHFFFAOYSA-N 390.444 -0.604 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)NC(=O)CC(=O)NCc1cnn[nH]1 1575112080 NONKKEMNIGULHW-YUTCNCBUSA-N 378.433 -0.587 30 20 GBED CO[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 1579859286 IOIZFCKWAMRZKU-CHWSQXEVSA-N 380.372 -0.510 30 20 GBED N#Cc1cnc(N2CCO[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cn1 1581877705 FVOUJUJFLVXQFM-GFCCVEGCSA-N 380.372 -0.508 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 1588357939 QTTXWOXDIXQDMY-YVEFUNNKSA-N 386.416 -0.594 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CCc3cc(-c4nn[nH]n4)ccc32)CCO1 1592672105 XNCCXXNETDNSTF-GXTWGEPZSA-N 375.414 -0.087 30 20 GBED N#CCSCC(=O)NC[C@H]1CN(c2ncc(-c3nn[nH]n3)cc2F)CCO1 1592679700 ZOHHICOXVBFZKD-NSHDSACASA-N 392.420 -0.021 30 20 GBED O=C(C#CC1CC1)NCCN1CCC(N=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1592768438 JZBVFBGAHBLNEO-UHFFFAOYSA-N 381.444 -0.516 30 20 GBED COc1ccccc1C[C@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)O 1599707587 OZXGFHGBYKDLJC-ZIAGYGMSSA-N 383.426 -0.003 30 20 GBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1602868696 UOIINRPQILSJNS-GFCCVEGCSA-N 375.389 -0.645 30 20 GBED CCOC(=O)CON=C(C(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)O)c1cc[nH]n1 1610017353 ANYOIZCOEQCKJJ-ZYHUDNBSSA-N 382.373 -0.216 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](N)CN)C2)c1 1778001241 NCZLACYSCTZGAD-SQGPQFPESA-N 385.468 -0.028 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(=S)NC)C2)C1 1779035657 YOXHJFCPIDIMRD-KDOFPFPSSA-N 396.513 -0.661 30 20 GBED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567458 QBKBOPXPTQLTRP-IBGZPJMESA-N 388.424 -0.503 30 20 GBED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCNC3=O)CCO2 1783904169 QYRJSSJGSXTOHV-HXUWFJFHSA-N 399.451 -0.127 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1784470792 OYIOIQKUAOSCHT-RKVPGOIHSA-N 375.429 -0.293 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)N(C)C)[C@H]2C1 1786741566 TYEBQEYZZIBQME-AJNGGQMLSA-N 381.473 -0.373 30 20 GBED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C3)C1 1792436381 KGSRLKAGVGDCOR-DMRZNYOFSA-N 399.513 -0.130 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)n(C)n1 1794322251 CCBPDLQKEJAKCZ-JFILPPLUSA-N 376.413 -0.633 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(=O)C1)C2 1795602699 YTTJQBCZCKURPO-MIFYACCESA-N 376.457 -0.163 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)N1CCOCC1 1798486082 ZZTAGKBVZLVASB-RPUYLAQPSA-N 381.473 -0.134 30 20 GBED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)C(=O)O)C2 1800493528 ULJCPIPDCDCELD-XPCVCDNBSA-N 381.429 -0.669 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CCCC3)C2 1800775664 AUDRHKQLQGOWIL-DPIQGUFMSA-N 386.408 -0.420 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)C=CC2=O)c1 1801120295 RNVAJBACYDTTSN-IVWMJMPLSA-N 397.391 -0.985 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1810247735 ADKVDXVWWMRLFA-LUKYLMHMSA-N 389.500 -0.054 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)OC)C2)C1 1829773178 CRQBPSYRGBJYHR-RVBASHTNSA-N 395.456 -0.664 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1831402172 PUACCJTZULUSJC-SPYBWZPUSA-N 395.456 -0.994 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1831499911 VYYJGFKDBNCELA-QAPCUYQASA-N 385.530 -0.041 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)COCC)CCO2)C1 1834986794 XQPPAWPVHHUXBT-LJQANCHMSA-N 398.456 -0.011 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cncn1)CCO2 1836139717 SALFCBPADASPDA-SFHVURJKSA-N 375.429 -0.462 30 20 GBED Cc1nccn1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840163478 IDURBIRSRZXRHI-CXAGYDPISA-N 382.486 -0.034 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840564206 MNIONIBYKCTGBZ-FXAWDEMLSA-N 395.500 -0.179 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C(N)=O)CC2)cc1 16775846 KENSETJKFZTLAJ-HNNXBMFYSA-N 391.453 -0.066 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CC(=O)OC)C(=O)OC)c1 56014027 GWSPZLOUDHNXST-CYBMUJFWSA-N 384.410 -0.015 30 20 GBED C=CCCO[C@H](C)C(=O)N1CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C1 262912450 JXQJTHYUNQRGOR-OLZOCXBDSA-N 378.447 -0.459 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](c3nnc(S)n3C)C2)C1=O 264715744 FRXQUKNYOGZPFL-JTQLQIEISA-N 392.441 -0.213 30 20 GBED CCOCCS(=O)(=O)NCC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 268145083 DZNAYAVDTJUVBS-ZDUSSCGKSA-N 396.473 -0.659 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCC(N(C)CCCO)CC1)c1cc[nH]n1 276522760 CVQHMNDXCNQPMJ-HEHNFIMWSA-N 395.460 -0.001 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(CCCO)C2)cc1 295594414 WRYRRFPSPNAWME-OAHLLOKOSA-N 380.470 -0.200 30 20 GBED O=C1CCC(=O)N1CC/N=C(/O)N1CCC(S(=O)(=O)N2CCCC2)CC1 328704356 KNBOCLLGHXZCND-UHFFFAOYSA-N 386.474 -0.061 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 374446318 IMHRZFGUDGYINY-KBPBESRZSA-N 378.520 -0.483 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)CN1C(=O)NC2(CCCC2)C1=O 377482344 VKLOVPLREDSUOP-UHFFFAOYSA-N 377.445 -0.075 30 20 GBED CC(C)(C)c1nc(CN2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)no1 409497031 COPPUSLAFYZXCJ-CYBMUJFWSA-N 398.489 -0.046 30 20 GBED C[C@]1(c2ccc(CNS(=O)(=O)N3CCO[C@H](C#N)C3)cc2)NC(=O)NC1=O 410140524 JBUNTAZHNDUCCT-CZUORRHYSA-N 393.425 -0.700 30 20 GBED CN(CCC#N)S(=O)(=O)N(C)CCCN(C)S(=O)(=O)N(C)CCC#N 486620801 VBAVGYADBQZZFO-UHFFFAOYSA-N 394.523 -0.579 30 20 GBED Cc1ncc(S(=O)(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C#N 489124877 QVRIUFLKVXGGEY-GFCCVEGCSA-N 386.455 -0.767 30 20 GBED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)c1 572735879 GVKKXTAZHYVRCM-AKSBMLQJSA-N 397.478 -0.122 30 20 GBED CCN1C[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)CC1=O 574466043 QZMDKEQGXARVQO-NSHDSACASA-N 386.455 -0.612 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)C1=O 610112288 DCIMWTNZSSGJKV-UHFFFAOYSA-N 393.363 -0.215 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cn(CC(OCC)OCC)nn2)CC1 728530439 FFUYBZPDGJHSQP-UHFFFAOYSA-N 392.460 -0.816 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)NC[C@H]2COc3ccccc3O2)CC1 728572637 MODDJLSMPFNZHL-INIZCTEOSA-N 386.452 -0.690 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)OCCCN2C(=O)CNC2=O)cc1 733377474 BNZDRKJONOAVRR-UHFFFAOYSA-N 380.382 -0.678 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)NC)cs2)CC1 748707499 CACOBWOPSIPNKJ-UHFFFAOYSA-N 384.483 -0.837 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 766799850 PZHJPILWJGHHPY-UHFFFAOYSA-N 394.453 -0.166 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)OCC)CC1)c1cc[nH]n1 789938573 FVVGAKFFZDJPIP-UHFFFAOYSA-N 381.389 -0.006 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)[C@H]1CCCO1 805341698 PEFLMOVEXPINKV-JKSUJKDBSA-N 393.465 -0.004 30 20 GBED C#CCCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 808281752 MVSFRFHYQYMRHS-UHFFFAOYSA-N 386.499 -0.524 30 20 GBED C#CCN1CCN(C(=O)CN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CC1 808766899 UBPSDCYLROQKIB-INIZCTEOSA-N 382.530 -0.442 30 20 GBED CCS(=O)(=O)N1CCC[C@@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)C1 813980319 AKSODNNCLRNJBJ-GFCCVEGCSA-N 386.455 -0.180 30 20 GBED COC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 831065595 DHFGEHPKYGLVAD-SKDRFNHKSA-N 383.382 -0.642 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 854879751 VMOMGXMNZDXRPD-QQOGMKOOSA-N 394.428 -0.001 30 20 GBED COCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 916891797 FKTCOELNOKWCMI-YJYMSZOUSA-N 384.392 -0.149 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C 940379199 DNMNYWVZCYVMFO-SYQHCUMBSA-N 378.429 -0.518 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(=O)n(C)n1 960986611 ZTHVHVOZDYNTCX-SYAUCNOPSA-N 388.424 -0.577 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1O 1023958346 KSRBWYYLTZNUPC-TUVASFSCSA-N 380.445 -0.929 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 1025231658 FSASLJZALPLXJS-SYQHCUMBSA-N 386.412 -0.593 30 20 GBED CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(C#N)n1 1092921599 BEUVOJNUITUQOW-AGIUHOORSA-N 378.458 -0.098 30 20 GBED CC[C@@H]1CCO[C@@H]1C(=O)N1CCN(CC#CCOC)[C@H]2CS(=O)(=O)C[C@H]21 1108476921 YTVMFQKMCZSDEE-TWMKSMIVSA-N 384.498 -0.239 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CN(C)CCO1 1109114085 XMDIKNDVRBYXMZ-CBBWQLFWSA-N 379.461 -0.950 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(-n2cncn2)nc1 1116699857 SWUMILMSVVDWBE-UHFFFAOYSA-N 398.427 -0.325 30 20 GBED COC(=O)[C@H]1CN(C(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CCO1 1117858566 MQRXEMHUTKGVSX-JKSUJKDBSA-N 387.392 -0.141 30 20 GBED CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1118944515 JEDZEBJSYXRUHY-HIFRSBDPSA-N 377.445 -0.078 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)NCCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1163050803 OMJIPLAWHBYXAB-ZQDZILKHSA-N 382.461 -0.466 30 20 GBED C=CCN(CC=C)C(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1189117746 LTSVAEWNSXUZKB-VVLHAWIVSA-N 390.484 -0.247 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1322772443 FAORWFNGQWQMGI-UHFFFAOYSA-N 392.437 -0.740 30 20 GBED CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)NCC(=O)NCC#N)CC1 1323412917 AFHCGKBUFLGXIY-UHFFFAOYSA-N 399.395 -0.376 30 20 GBED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2cn(C)nc2C(F)F)c1=O 1327610351 PGALDUUXANDMOJ-UHFFFAOYSA-N 392.391 -0.304 30 20 GBED CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCO1 1328816758 PFOKQIXPABDRNH-DOJSCEOXSA-N 378.429 -0.051 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 1329716208 PCQKAVSLSHSEAO-ZFWWWQNUSA-N 396.469 -0.427 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3C[C@@H]4CCCCN4C3=O)CC2)c1 1331767536 QMBYBIWYAAPJLF-JKSUJKDBSA-N 396.451 -0.129 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N(C)C[C@@H]1CCCN1C 1348659518 MLYNVRQKANKRSO-GJZGRUSLSA-N 385.472 -0.062 30 20 GBED CN1CCC(N2CCC(NC(=O)C(=O)N3CC[C@@](O)(CC#N)C3)CC2)CC1 1349193689 KTOGPCGTDGAKHQ-IBGZPJMESA-N 377.489 -0.462 30 20 GBED C=CCCn1cc(C(=O)NC[C@H](CO)N=c2cc[nH]cc2-c2nn[nH]n2)nn1 1588620771 GPRNQRIMDHCJLZ-LLVKDONJSA-N 384.404 -0.946 30 20 GBED Cc1ccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1-c1nn[nH]n1 1592113688 YXOCVBTXXODJDS-ZDUSSCGKSA-N 388.409 -0.245 30 20 GBED N#Cc1ccc(N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H](O)C2)cn1 1606368645 ACQPBKDREBXEMT-ZFWWWQNUSA-N 379.384 -0.169 30 20 GBED N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1771537525 PTDRHQXZMJAPNX-WOSRLPQWSA-N 397.457 -0.940 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778743594 URAXLQFIQQQZFN-SFHVURJKSA-N 383.364 -0.739 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2 1779336013 ZGJKIAKOTVMQKI-NRTGNBEESA-N 382.505 -0.641 30 20 GBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(N3CCN(C)CC3)CC2)C1 1780652113 ILYDQNGPWYRVAJ-YLJYHZDGSA-N 388.512 -0.087 30 20 GBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)c1cc(C)on1)C2 1781693207 DHFKHNWFROYRBN-DNVCBOLYSA-N 388.424 -0.140 30 20 GBED C[C@@H](Nc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783562989 UZCXJGOUNDHKGJ-KUHUBIRLSA-N 386.408 -0.200 30 20 GBED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNCP(=O)(O)O)C[C@@H]21 1784382060 UOEFJJRJBYBCQD-KKUMJFAQSA-N 399.384 -0.896 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncnn3C)[C@H]2C1 1785846820 JZWHDUDJDSDWHI-AJNGGQMLSA-N 377.445 -0.001 30 20 GBED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786891643 GSIBLAYRQWCBJK-JONQDZQNSA-N 378.473 -0.638 30 20 GBED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)NS(=O)(=O)CC)C3)C1 1792436382 KGSRLKAGVGDCOR-HNKHHVNMSA-N 399.513 -0.130 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nonc2c1 1796886072 CKOQIVBLMNAAAY-DPIQGUFMSA-N 384.348 -0.486 30 20 GBED Cc1noc(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800773696 QUXGFRRHBRONAA-IVWMJMPLSA-N 375.381 -0.488 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(F)c1)CCO2 1834360470 AQZWMLQEADDFRW-GOSISDBHSA-N 391.355 -0.621 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1835127028 CUHYNHVJJSKTPO-YZVOILCLSA-N 379.457 -0.066 30 20 GBED Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835364411 UZRXGIOFNRYCAZ-LJQANCHMSA-N 388.424 -0.032 30 20 GBED NCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1835547215 ACLNQKGGQBJZGS-WHLIDYPQSA-N 393.465 -0.098 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1836476592 DJWWGEAKRCACNJ-BXWFABGCSA-N 379.457 -0.438 30 20 GBED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1837305828 KHHLNZUWMGQJIM-KXBFYZLASA-N 393.488 -0.306 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2 1839159512 ZMBULWQEXZGHQS-WMLDXEAASA-N 385.486 -0.504 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1840165689 GZLPIZJFWMBNAF-GUYCJALGSA-N 382.486 -0.263 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1840173603 HKLGWRNRUPYZLO-RDTXWAMCSA-N 382.461 -0.274 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840571648 FQJNMQGCTHDNQR-BEFAXECRSA-N 396.488 -0.195 30 20 GBED CC(C)(C#N)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841893175 JIHNVMGCBJHFCK-UHFFFAOYSA-N 382.486 -0.530 30 20 GBED NC(=O)[C@@H](N)CCC(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2 1842946221 UWFFBROGNBVBDK-SLSPDHCBSA-N 375.429 -0.505 30 20 GBED N#CC1(C(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]nnc4n3)C2)CCC1 1843236064 RUGGYNZPQYTYRZ-UHFFFAOYSA-N 382.384 -0.677 30 20 GBED C/N=C(/NCc1noc(C)n1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261690377 FBZIXQMBXYNKJZ-UHFFFAOYSA-N 383.434 -0.411 30 20 GBED C=CCNC(=O)c1ccc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nc1 264844783 HPEFIOWXCXFUCK-UHFFFAOYSA-N 387.440 -0.495 30 20 GBED C[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 276094601 VRVQXFGDGQOUCP-ZDUSSCGKSA-N 393.469 -0.020 30 20 GBED N#Cc1ncccc1S(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 277052702 QIORFROBKKWGKO-GFCCVEGCSA-N 388.471 -0.280 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)C1=O 281388044 OCACRVLHEODIRV-VNQPRFMTSA-N 375.429 -0.436 30 20 GBED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 286215401 XFSRSXLWNNUYSJ-AWEZNQCLSA-N 384.440 -0.271 30 20 GBED CCN(C)C(=O)CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 289163129 UNWMDEPKYBUSTI-HNNXBMFYSA-N 385.424 -0.236 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@]2(CCN(C)C2)C1 349505858 SNPFCSBMJJWWFP-GJZGRUSLSA-N 392.547 -0.092 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)C(=O)[C@@H]1C 349510336 QIFJLTFSECFCRH-RYUDHWBXSA-N 380.492 -0.910 30 20 GBED N#Cc1cccc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[C@H]2O)n1 349534695 IQVZUDOJRGLTLY-CHWSQXEVSA-N 388.471 -0.082 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2C[C@@](C)(O)C2)n1 349538259 FWSRAAOJLHKHHO-BJHJDKERSA-N 391.475 -0.744 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CC[S@](=O)[C@H](C)[C@H]1C 349610409 JOXZYKSCSPXYTR-MZJLLONVSA-N 399.560 -0.231 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(n3cc([C@@H](C)O)nn3)C2)c1 374848102 UULYBQLAILUYSG-GFCCVEGCSA-N 389.437 -0.060 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1 442026246 GAWNBBFRFPGAJC-CYBMUJFWSA-N 385.380 -0.697 30 20 GBED CCN(CCNS(=O)(=O)N(C)CCC#N)S(=O)(=O)N(C)CCC#N 444106040 MZZGHFKVEYGULY-UHFFFAOYSA-N 380.496 -0.922 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC[C@@H]3C[C@H](C)O)CC2)o1 464625681 KNWOVVFCNDEDDL-ZFWWWQNUSA-N 377.445 -0.025 30 20 GBED C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 468976137 NMMISGFWJCGAOM-OAHLLOKOSA-N 398.533 -0.953 30 20 GBED CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)cc1F 511394296 BJNZUQVBYFEHQR-UHFFFAOYSA-N 388.406 -0.361 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(CCO)CCN2CCOCC2)CC1 512411251 WZIAOCPZENOJKH-GOSISDBHSA-N 381.521 -0.695 30 20 GBED Cc1ccc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1S(=O)(=O)NCC#N 517244383 FHVHWGWWVTXXME-UHFFFAOYSA-N 391.409 -0.553 30 20 GBED N#Cc1ccc(S(=O)(=O)CCN2CCN(S(=O)(=O)C3CC3)CC2)nc1 528616892 CRVFAHPZODRLOG-UHFFFAOYSA-N 384.483 -0.163 30 20 GBED C=CC[C@H](CO)CNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 539313094 RXXSOHPKVWCXJF-AWEZNQCLSA-N 390.506 -0.488 30 20 GBED C[C@H](C#N)CNS(=O)(=O)c1cccc(S(=O)(=O)N=c2nc[nH]n2C)c1 547625289 VTLUZLLRKWTPKU-SNVBAGLBSA-N 384.443 -0.524 30 20 GBED COC(=O)[C@@H](CN1CCOCC1)NS(=O)(=O)Cc1cc(C#N)ccc1F 562528306 CBQSKIXIARTXQZ-OAHLLOKOSA-N 385.417 -0.009 30 20 GBED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[C@@](O)(CC#N)C1)CC2 592301646 MNCHHNMAGRLVHM-KRWDZBQOSA-N 392.437 -0.639 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCCN2CCC[C@@H]2C(N)=O)cc1 609352322 VEVDWYQRGYIEAL-MRXNPFEDSA-N 392.481 -0.071 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 646954198 VENGOHFYRNWOMM-CQSZACIVSA-N 388.424 -0.015 30 20 GBED C=CCn1c([C@H]2CCO[C@H]2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 647370577 ZHNLPDWGWJMZGX-KBPBESRZSA-N 387.448 -0.308 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)ccc2C)CC1 728589574 IHHOSBLZDNMQLH-UHFFFAOYSA-N 393.465 -0.163 30 20 GBED COc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1C#N 807212604 HKITZDZIUAWINE-OAHLLOKOSA-N 396.407 -0.162 30 20 GBED COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NCCNc1ccc(C#N)cn1)CC2 809409135 MMHFFTVELBTSCP-CYBMUJFWSA-N 398.427 -0.650 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)OCc2nc(N)nc(N(C)C)n2)cc1 811834374 OVOWSSLGNZAPJT-UHFFFAOYSA-N 390.425 -0.212 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3ccc(-c4nn[nH]n4)cc32)C1=O 823919721 OKANNWIWJKBNOF-UHFFFAOYSA-N 381.352 -0.267 30 20 GBED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](O)[C@@H](O)C1 862581547 SNYSJCABAZPDEU-IHRRRGAJSA-N 381.454 -0.152 30 20 GBED COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 862824702 PDIFJSLTVITCRU-RNZSINEYSA-N 393.396 -0.144 30 20 GBED C#Cc1ccccc1CC(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 964598750 SHTKEHPCKMQHSG-PILAGYSTSA-N 383.448 -0.187 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@@H]1O 970706858 KDTZNLATOQTZCL-OJLVUWQFSA-N 375.429 -0.566 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CC(=O)NC2=O)nc1 998952520 QGIHJIAQIPNKEB-SNPRPXQTSA-N 381.392 -0.524 30 20 GBED NS(=O)(=O)c1n[nH]cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 1005980349 OYPVGAQDQMVSKD-RTXFEEFZSA-N 377.426 -0.668 30 20 GBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C=C)C[C@H]1O 1024921662 KJQAKTUUHINDGB-DZUCGIPZSA-N 385.420 -0.014 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCOCC1 1070132819 UDUJRXXFQRLFIU-KBXIAJHMSA-N 379.457 -0.129 30 20 GBED C#CCSCCNC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 1117142650 HCJVNXOAKRPBLH-UHFFFAOYSA-N 388.493 -0.066 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)CCN3C(C)=O)CC1 1119053754 KAKWMYSHRKQZAX-UHFFFAOYSA-N 390.465 -0.179 30 20 GBED CC(C)(C)N1C[C@H](CNC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1=O 1119084538 WHTBMHYSGYNLQH-DZGCQCFKSA-N 375.473 -0.052 30 20 GBED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 1120386288 CPMYTQRTNUSUSI-INIZCTEOSA-N 392.481 -0.248 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(CCNS(=O)(=O)CC)C[C@@H]21 1218657965 QJLIYWLGFRGFFG-FXUDXRNXSA-N 387.502 -0.572 30 20 GBED CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 1261123714 MJGIYISBFJQYGU-UONOGXRCSA-N 399.455 -0.488 30 20 GBED C#CCNC(=O)C1CCN(c2nnnn2CC(C)(C)N2CCOCC2)CC1 1262391617 RKDLDSCBJDWPJV-UHFFFAOYSA-N 375.477 -0.250 30 20 GBED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1=O 1322266319 ZORQUTCWXLPFBO-GUYCJALGSA-N 390.421 -0.371 30 20 GBED C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 1322948074 ABQVVRRJBBPPND-PMPSAXMXSA-N 398.529 -0.507 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2csc(CS(C)(=O)=O)n2)CC1 1324515406 BILHKZQVKAOOBO-UHFFFAOYSA-N 392.528 -0.727 30 20 GBED COC(=O)NC1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 1325116983 VYHMNWAJGKDKJJ-UHFFFAOYSA-N 389.387 -0.087 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC(C(=O)NCCCOC)CC2)nn1 1326251128 SIQLUKWQRDDYBP-UHFFFAOYSA-N 392.460 -0.528 30 20 GBED C=CCN1C(=O)C(=O)N(Cc2nc(CC3(CS(C)(=O)=O)CC3)no2)C1=O 1330706482 ZBUAIPDBWQQNHZ-UHFFFAOYSA-N 382.398 -0.086 30 20 GBED C=CCn1c(C[C@H](C)O)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1338821616 JQARBLOQDRLJRN-AWEZNQCLSA-N 376.461 -0.342 30 20 GBED C#CCNC(=O)CC(=O)NC[C@H]1CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573285380 GYILSDQNMZHKTM-GFCCVEGCSA-N 384.400 -0.945 30 20 GBED C#CCN1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H](C)OCc3cnn[nH]3)C2)CC1 1574986223 WIHHGSQAIPWKJX-HZPDHXFCSA-N 388.472 -0.274 30 20 GBED CN(C[C@H](O)CN(C)c1nccnc1C#N)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1579032337 XGUHYGRWJJDJMV-LLVKDONJSA-N 382.388 -0.574 30 20 GBED COC(=O)c1cccc(Cn2c(=O)c(-c3nn[nH]n3)c(C)n(C)c2=O)c1C#N 1579487568 OOALSDNFPJJSAU-UHFFFAOYSA-N 381.352 -0.258 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCC1(S(N)(=O)=O)CC1 1581855434 AECDAOUKHPXEST-LBPRGKRZSA-N 375.414 -0.514 30 20 GBED C#C[C@@H]1COCCN1C(=O)C(=O)N1CCO[C@H](c2ccc(-c3nn[nH]n3)cc2)C1 1588330401 BHCXROYXEJXBEH-CVEARBPZSA-N 396.407 -0.373 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@]1(CO)CCCN(c2nccnc2-c2nn[nH]n2)C1 1588355505 IZILNYGJMILDKV-YVEFUNNKSA-N 386.416 -0.858 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588723093 GVVLSUVHKXBCBF-GYSYKLTISA-N 389.416 -0.665 30 20 GBED C[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1CCNCC(=O)NCC#N 1591740556 VWMJZGLBWLJBCW-VXGBXAGGSA-N 385.432 -0.478 30 20 GBED COC(=O)C1CCC(NS(=O)(=O)N2CCO[C@H](C#N)C2)(C(=O)O)CC1 1598788014 VSJBKOPFMMMBLX-IQLKVPPVSA-N 375.403 -0.768 30 20 GBED CC(C)C#CC(=O)N[C@]1(CO)CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1603188812 GLIGYTOIZLDZOQ-GOSISDBHSA-N 385.428 -0.063 30 20 GBED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1783898573 QYDKYVUIPZDIEE-HWPZZCPQSA-N 379.442 -0.663 30 20 GBED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](COC)NC(C)=O)C[C@@H]21 1791268119 PZCXDIPKBZEGJJ-FJIDUMEYSA-N 393.484 -0.079 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cnn(C)c1 1795768984 ZBNAMGZXYWWVBL-VYCZESIESA-N 388.468 -0.019 30 20 GBED CS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797837491 YAIUBBCIDVZDQL-ONPPZIAASA-N 397.453 -0.667 30 20 GBED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1800493653 FGSRLGTVCNSQPX-ZUMXRPEOSA-N 375.425 -0.287 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)N(C)C)CCO2 1830050954 YEEJKAAXZNDRJD-SFHVURJKSA-N 380.445 -0.873 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831023513 MKDRCPPUBCIWHB-LRDDRELGSA-N 387.458 -0.787 30 20 GBED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)n1ccnn1 1831221163 GVEIZULATUOLRE-BEFAXECRSA-N 387.440 -0.291 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1832112160 XZBWAAPHMZVCAN-NUCSDZMGSA-N 395.431 -0.341 30 20 GBED C[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447006 SMWBBYVHLZOTSL-XQGPJPATSA-N 382.461 -0.705 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNC(=S)NC)CCO2 1837469137 LDCPSYKGTYTHHW-SFHVURJKSA-N 396.513 -0.660 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC=O)CCO2)C1 1839163877 KJDCYHSUUORQBF-VCBZYWHSSA-N 397.472 -0.850 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4C=CS[C@@H]43)C2)C1 1840044766 WRBZCYNVKXUUBD-GMLZMKKNSA-N 392.433 -0.594 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1840159659 JTYSQCQJFDTTMB-SUMWQHHRSA-N 382.486 -0.263 30 20 GBED COC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840165881 MNKFBGGZLVEWSD-NHYWBVRUSA-N 375.447 -0.883 30 20 GBED CNC(=S)NCCC(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842920516 VNZRQNWNZOWPRD-UHFFFAOYSA-N 394.545 -0.044 30 20 GBED C/N=C(/NCc1nnc(C)n1C)N1CCN(CC(=O)N2CCCCC2)CC1 262003455 UYSWGCCYQMZUFJ-UHFFFAOYSA-N 376.509 -0.171 30 20 GBED CN(C)C(=O)CN/C(=N/C[C@H]1CCCO1)N1CCN(c2cnn(C)c2)C(=O)C1 262307642 PBMSBEYBVJKQBQ-OAHLLOKOSA-N 391.476 -0.719 30 20 GBED C/N=C(/NCCNC(=O)c1cccnc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 262601189 YPQODSITDOWAJD-MRXNPFEDSA-N 388.472 -0.290 30 20 GBED CS(=O)(=O)N1CCN(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 268298167 LTAYMBRDVINXBJ-UHFFFAOYSA-N 392.485 -0.821 30 20 GBED O=S(=O)(N1CCOCC1)N1CCN(/C(O)=N/[C@H]2CCCOCC2)CC1 329271829 JLHHVWALYOVDOP-AWEZNQCLSA-N 376.479 -0.336 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(/C(O)=N/CC1(C)CCOCC1)C2 329797338 FLULZEMBWWTLHK-UHFFFAOYSA-N 380.449 -0.321 30 20 GBED N#CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 332146745 TXSDCALALPJDKZ-UHFFFAOYSA-N 378.454 -0.011 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H]1CCNC1=O 349462590 YIJTWEJTOWPNOL-WDEREUQCSA-N 386.455 -0.614 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCS[C@@H]2COCC[C@@H]21 349489705 FXDVTQPHHPGIAD-RWMBFGLXSA-N 397.544 -0.256 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCn2cncc2C1 349606046 WOFSPSPJUVVEFO-ZDUSSCGKSA-N 389.503 -0.018 30 20 GBED C[C@@H](CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)S(N)(=O)=O 409622744 PUSCIRHCMWSFCR-FZMZJTMJSA-N 379.442 -0.365 30 20 GBED CNS(=O)(=O)c1cccc([C@H](C)NS(=O)(=O)N2CCO[C@H](C#N)C2)c1 410119136 QOTDPQXDEXXTGC-WCQYABFASA-N 388.471 -0.286 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCCO[C@@H](CN)C2)CCN1Cc1ccccc1 423341474 UNYYUJLRIAAJQZ-ROUUACIJSA-N 385.468 -0.201 30 20 GBED C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCN(C(=O)CN[C@@H]2CCO[C@H]2C=C)CC1 451598980 MNPWCQOORNGRBW-BDXSIMOUSA-N 392.500 -0.477 30 20 GBED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)[C@H](C)C1 509823471 IECSVAQNLHSOJH-GFCCVEGCSA-N 382.446 -0.382 30 20 GBED COC(=O)CN(CC#N)C(=O)c1cccc(C(=O)N(CC#N)CC(=O)OC)c1 525643355 QICOSNWSCBABQI-UHFFFAOYSA-N 386.364 -0.036 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1Cc1ccon1 531684749 FKDZGNBXQFFVRN-UHFFFAOYSA-N 381.417 -0.101 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCc3nnnn3CC2)cc1 563193693 LWSLHIMZSALTPO-LBPRGKRZSA-N 375.414 -0.656 30 20 GBED CNC(=O)CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)C#N)cc1 566749065 VYJBNKHHFNXLTC-LLVKDONJSA-N 388.471 -0.414 30 20 GBED N#Cc1c[nH]c(=O)n(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1=O 592354937 APYTUQJODULMSZ-UHFFFAOYSA-N 381.392 -0.039 30 20 GBED CN(C)CCCN(C)CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 597990544 XYADFWFZZHNWDC-UHFFFAOYSA-N 381.502 -0.164 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)CNc1ccc(C#N)cc1)C2 615810610 ONRZRJHULCATNA-UHFFFAOYSA-N 383.412 -0.541 30 20 GBED N#Cc1ccc([C@@H](OC(=O)C2=NC=CN3CCS(=O)(=O)N=C23)C(N)=O)cc1 734557050 BSXYGNKEKRNSJR-CYBMUJFWSA-N 387.377 -0.402 30 20 GBED N#CC1(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)CCC1 736072158 ZJVFLYOHNASCPS-LBPRGKRZSA-N 375.472 -0.659 30 20 GBED C#CCOCCNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 768428587 BTSBDEDYGRZYRX-UHFFFAOYSA-N 395.437 -0.220 30 20 GBED COc1ccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(O)c1 771889831 KWZUPJHGAUEHJK-UHFFFAOYSA-N 382.398 -0.499 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1cccn(CC(=O)OCC)c1=O)[C@H]1CCCO1 773796161 XUXBBDGQMJMONC-GXTWGEPZSA-N 375.381 -0.353 30 20 GBED N#CC1(NC(=O)COC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CCC1 787000787 QPSVLAZXPULRQB-HNNXBMFYSA-N 392.456 -0.195 30 20 GBED COc1cccc([C@@H](C#N)NC(=O)Cn2cc(S(N)(=O)=O)cn2)c1OC 798324441 VYKMGXIUNAAIGS-GFCCVEGCSA-N 379.398 -0.071 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 799285488 GTJOKDDLWHOAJS-AWEZNQCLSA-N 388.424 -0.015 30 20 GBED C=CCOC[C@@H](NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)C(=O)O 836751177 PPUCFQZGSSXTRQ-GFCCVEGCSA-N 381.410 -0.161 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCC[C@]12CCOC2=O 848958093 UNVZLAJDSIEIEJ-WCQYABFASA-N 379.460 -0.681 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)CC1 866731323 JYIYJYLOGGLCBR-UHFFFAOYSA-N 379.364 -0.516 30 20 GBED C#CCN1CCC[C@H](NC(=O)C(=O)N2C[C@@H](C(=O)NC)Oc3ccccc32)C1 891606793 IWSQBFYLVGVJSB-YOEHRIQHSA-N 384.436 -0.260 30 20 GBED N#CCSCC(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 915388035 KASVJYMNRXFBSW-OLZOCXBDSA-N 390.483 -0.019 30 20 GBED C[C@@H]1CN(C)C[C@H](C(=O)N2CCO[C@@H]3CN(C(=O)c4ccc(C#N)[nH]4)C[C@@H]32)O1 960568065 AIJQJINOUZGMFA-VJUNAUMWSA-N 387.440 -0.343 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)c3cn(CC)nn3)C[C@@H]21 960977915 LZWFZTSNEPJHCM-SYAUCNOPSA-N 375.429 -0.059 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@@H]2C1 986159123 URNXALJMNWTUHO-CLWVCHIJSA-N 382.482 -0.071 30 20 GBED CCO[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CNc1cnc(C#N)cn1 1047944806 DBNQAFIVJLWDAG-FAAHXZRKSA-N 388.428 -0.343 30 20 GBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCc1nncn1C 1109915140 LJNQTLVBUMAFLF-KBXIAJHMSA-N 376.461 -0.256 30 20 GBED COCC(=O)Nc1cccc(CNC(=O)C(=O)NC2CCN(CC#N)CC2)c1 1117025427 AJVLSWPMGSAJOC-UHFFFAOYSA-N 387.440 -0.008 30 20 GBED C[C@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1117332393 MGJIXJVCOMGURG-GFCCVEGCSA-N 396.444 -0.105 30 20 GBED C=C(C)Cn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@]1(C)CNC(=O)C1 1122631404 QLPAHDMIYSTQOU-SFHVURJKSA-N 376.461 -0.073 30 20 GBED C#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 1129313082 WUXPDXLTTHIGQG-DFGXFYAUSA-N 386.456 -0.650 30 20 GBED CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC#CCOC)C[C@H]1O 1193875222 JHWLUIWYNSNHTD-JOCBIADPSA-N 376.457 -0.208 30 20 GBED C=CCNC(=O)NC(=O)CN1CC[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]21 1223505657 MCVPDLSWMMZLSW-MQYQWHSLSA-N 377.445 -0.958 30 20 GBED C#CCN(C(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)C(C)C 1262233082 VCUQYYRGVJXDIJ-UHFFFAOYSA-N 386.456 -0.498 30 20 GBED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(C)(=O)=O)n1 1304763281 PIIGYTPRHDICOB-AWEZNQCLSA-N 393.473 -0.087 30 20 GBED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1319204112 SKJLBQWRXSFECK-IAFNSTAXSA-N 389.456 -0.332 30 20 GBED COC(=O)NC1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1323635058 MJKNJXKUTWKRLL-HNNXBMFYSA-N 399.407 -0.263 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCc2ccc(S(C)(=O)=O)cc2)nn1 1326691487 UWBVXBVUBVBJPQ-UHFFFAOYSA-N 377.426 -0.200 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)CC1 1329712004 FSBWRRILOSRNHH-JKSUJKDBSA-N 389.452 -0.368 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCO1 1330897494 CMEFYBFXSSFDAN-AWEZNQCLSA-N 392.437 -0.730 30 20 GBED C=C(C)Cn1c(Cn2cc(CCO)nn2)nnc1N(C)CCN1CCOCC1 1341724980 KMHBDKDSYYZWNG-UHFFFAOYSA-N 390.492 -0.203 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@@H](CC)C(=O)N2CCOCC2)n1 1342787890 ZNYVHJOUPFGTCA-INIZCTEOSA-N 389.456 -0.382 30 20 GBED C#CCC(C)(C)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C 1355734370 SEXMSHXIBTVWSZ-UHFFFAOYSA-N 388.472 -0.377 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573310110 UGFIQKGBFSAETF-IAGOWNOFSA-N 389.416 -0.785 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)O)C1 1573369304 XSODGLAIFJVKFL-NWDGAFQWSA-N 397.457 -0.607 30 20 GBED C#CCNC(=O)CNC1CCC(N(C)C(=O)CCOCc2cnn[nH]2)CC1 1575004264 CGLPTIHKYRFZMA-UHFFFAOYSA-N 376.461 -0.180 30 20 GBED C=CCCOCC(=O)NC[C@]1(C)CN(c2cncc(-c3nn[nH]n3)n2)CCO1 1588616115 WGMMUMAEYUGFMJ-QGZVFWFLSA-N 388.432 -0.039 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCO1 1588722917 DXISMXUWQFJDEA-UPJWGTAASA-N 386.416 -0.431 30 20 GBED C[C@@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)n1cnc(-c2nn[nH]n2)n1 1609069028 PICIEEQBLCKZSP-NSHDSACASA-N 379.388 -0.365 30 20 GBED N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 1648500660 MDBZXOFWDMEVEP-BSDSXHPESA-N 389.477 -0.036 30 20 GBED C[C@@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066715 CHAHORPOBBFOBS-OXQOHEQNSA-N 391.468 -0.351 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1 1781315299 YREVBZRCCMBZGN-SFHVURJKSA-N 382.461 -0.893 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)OC)C[C@@H]21 1784479803 IREUYTFHXIGQFZ-VGWMRTNUSA-N 380.441 -0.042 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3nc(C)no3)C[C@@H]21 1784480221 RSINBAFNGPUTII-TUUVXOQKSA-N 390.440 -0.061 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncnc1 1794822186 VNKNMHNYZOJRAL-MUJYYYPQSA-N 386.456 -0.038 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796403752 RRQUKTNYVAFVDD-RVMXOQNASA-N 391.384 -0.441 30 20 GBED Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)no1 1797826735 IRDAMVRMVWCQJR-DRXBFXEBSA-N 375.385 -0.784 30 20 GBED CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)N(CC)CC 1800773407 BDFBWGIJKGGWAG-KRXQYRFLSA-N 379.457 -0.216 30 20 GBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1800988369 MFYKWVOBKMWKLR-DGXTUMSLSA-N 384.546 -0.470 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838422652 LXLOVJUNBSODSY-GOSISDBHSA-N 384.396 -0.287 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1838795955 UTKUMDTZONKHLV-HXUWFJFHSA-N 395.419 -0.030 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1840844815 NGIOKDJIMAFVRQ-DNVCBOLYSA-N 377.441 -0.618 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)COc1cccnn1)C2 1841055865 AHUNNLAXKHVBIC-SREVYHEPSA-N 385.424 -0.083 30 20 GBED O=C([C@@H]1C[C@H](O)CN1)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844301792 JAYPRYCNAVEQSJ-RYSHLGEFSA-N 380.445 -0.558 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CC)NC(N)=O 1847261616 WWECIZJKGFWENW-MGFMJIJDSA-N 377.445 -0.507 30 20 GBED CCn1cc(/C=c2/s/c(=C(/C#N)C(=O)NCCCOC)n(C)c2=O)cn1 264791455 ASAQBJYMLSQMQT-IHRRDAEPSA-N 375.454 -0.681 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](C)CN2CCN(CC)CC2)C1=O 264925030 QTZWHLPIQMDHIA-AWEZNQCLSA-N 379.461 -0.647 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(C(N)=O)CCOCC1 268765361 NMKZAOANMIGNNO-LBPRGKRZSA-N 394.453 -0.377 30 20 GBED N#Cc1ccc(CS(=O)(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 298838204 FSBRHDSYQCQSGH-UHFFFAOYSA-N 376.438 -0.189 30 20 GBED C[C@H](C/N=C(/O)N1CCCN(S(C)(=O)=O)CC1)CN1CCN(C)CC1 329806006 NPJNHNRXHAOQEI-OAHLLOKOSA-N 375.539 -0.249 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 349479837 VJUXRMPRVAQTLQ-RMEBNNNOSA-N 391.515 -0.417 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C)[C@H](c3nccn3C)C2)n1 376735653 IENJKORBMDOLQK-AWEZNQCLSA-N 384.444 0.523 30 20 GBED CN(C)C(=O)COc1cccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)c1 409546752 GEWXSPBEBDALRF-HNNXBMFYSA-N 382.442 -0.288 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)O)c(F)c1 548245560 VEPZHYXSNNFHBI-JTQLQIEISA-N 376.387 -0.040 30 20 GBED CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NCCCCC#N)CC1 553253901 IMMLOLHXXCQSCB-UHFFFAOYSA-N 388.490 -0.305 30 20 GBED CS(=O)(=O)NCCc1ccc(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)s1 574572096 WPJLPQSUBQTZKK-UHFFFAOYSA-N 382.423 -0.556 30 20 GBED COC(=O)c1cn(CCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)nn1 579773547 OBMVOBZQNUUGBZ-UHFFFAOYSA-N 392.397 -0.969 30 20 GBED CC(C)N(C[C@H](O)CO)C(=O)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 584118234 OAEFLDPGVIMSGM-OCCSQVGLSA-N 397.453 -0.099 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 658914803 CBOWEGVDPQVQGY-GFCCVEGCSA-N 383.426 -0.691 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1 728533074 UUUSHPGQHFCTQY-UHFFFAOYSA-N 378.454 -0.435 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1 736078640 CSDOIGFKTYNBCF-UHFFFAOYSA-N 379.438 -0.169 30 20 GBED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)O)cc1 739729881 NQEBOLPJJIXMGN-PDGQHHTCSA-N 382.398 -0.361 30 20 GBED Cc1ccc(S(=O)(=O)NCCN2CCN(CC(=O)NCCC#N)CC2)cc1 741791612 UBEMYSQYHGLVPB-UHFFFAOYSA-N 393.513 -0.079 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NC2CC2)cc1 811831653 CFFWAYFYCPJMIN-UHFFFAOYSA-N 379.394 -0.257 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)CC1 823851081 ZDWGMEWOAYVBAP-UHFFFAOYSA-N 379.421 -0.409 30 20 GBED C/N=C(/NCCN1CCOCC1)NCC(=O)NCCc1ccccc1OC 849106192 ADEFHRHKKFAWGX-UHFFFAOYSA-N 377.489 -0.149 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CC1 895617857 WBUJDRXKGREPJH-CVEARBPZSA-N 383.518 -0.202 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nnc3c2CCCC3)C[C@@H]1O 970707851 XAAVWSMFWIIEKN-IRWJRLHMSA-N 389.456 -0.564 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)[C@@H]1C 990124256 KIIVKQWAIWQQQW-KBXIAJHMSA-N 377.445 -0.331 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1cncn1C 993624251 YKGWGMMWNFRGEJ-BHPKHCPMSA-N 385.428 -0.146 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nc(C3CC3)nn2C)C1 1023996819 VVLLEJDAMSIJJP-TUVASFSCSA-N 389.456 -0.486 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccnc3[nH]nnc23)C1 1024890436 ZHTRYTWWCXKELX-JLNYLFASSA-N 386.412 -0.364 30 20 GBED N#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1C(F)(F)F 1112167584 SRSFILPOHYVUMK-WRWGMCAJSA-N 389.378 -0.493 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1 1116656307 CFVXBTXNMLIVKF-UHFFFAOYSA-N 385.424 -0.116 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N(C)CC(=O)N1CCCC1 1118491619 IGEQPRPXNUTFKH-UHFFFAOYSA-N 375.433 -0.665 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@H](OC)C1 1213183390 RNOJZDHHQVXDRA-DEQQHWRFSA-N 394.472 -0.371 30 20 GBED C=CCNC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCN(C)[C@@H]3C)[C@@H]2C1 1221560702 BLWBUGILXHOAAE-KLHDSHLOSA-N 377.489 -0.129 30 20 GBED COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1 1319911632 PDTMXXSQWBKIDU-AWEZNQCLSA-N 377.401 -0.184 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(C3CCOCC3)CC2)CCN1C1CC1 1348537359 YXAMUAYGEXRTBO-QGZVFWFLSA-N 375.473 -0.492 30 20 GBED C=CCn1c([C@H]2CNC(=O)C2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1519549786 CWNBKLRXHUSFQF-CYBMUJFWSA-N 396.455 -0.112 30 20 GBED C#Cc1cncc(C(=O)N2CCO[C@@H](CNc3nccnc3-c3nn[nH]n3)C2)c1 1573292701 ZVMGDSCMJBBELA-AWEZNQCLSA-N 391.395 -0.014 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCC[C@@H](N(CCO)C(=O)CCCc2cnn[nH]2)C1 1575012655 FJVBOKJTZBZLGM-DOTOQJQBSA-N 391.472 -0.022 30 20 GBED C=CCOCC(=O)NCC1[C@H]2CN(C(=O)[C@@H]3CCCN3Cc3cnn[nH]3)C[C@H]12 1575110425 PETZVZKYJDCOTJ-ZACQAIPSSA-N 388.472 -0.208 30 20 GBED CN1CCN(C(=O)CNC(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)CC1 1579375240 SMQBFIPVRSQVFZ-HNNXBMFYSA-N 382.428 -0.561 30 20 GBED C=CCNC(=O)NC(=O)CN(C)[C@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588658242 DAXDZIAXFWRXRO-SNVBAGLBSA-N 389.420 -0.743 30 20 GBED C=CCn1c(S)nc2cc(C(=O)NCC(=O)NCC(=O)O)ccc2c1=O 1588891465 LFTNTBFLQUXKOI-UHFFFAOYSA-N 376.394 -0.198 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)Cn3cnc(-c4nn[nH]n4)n3)C2=O)cc1 1592692984 TTXDQXHYYMMNMU-CYBMUJFWSA-N 392.383 -0.753 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)c1nccnc1-c1nn[nH]n1 1602795898 VXFXVKPHUWOZIU-ZBEGNZNMSA-N 376.421 -0.761 30 20 GBED N#CC1(NC(=O)CCn2cc(-c3nn[nH]n3)c(O)nc2=O)CCSCC1 1606344932 VNXJCUHLAUUVNS-UHFFFAOYSA-N 376.402 -0.575 30 20 GBED N#Cc1cn(CCNC(=O)C2(c3ccc(-c4nn[nH]n4)cc3)CC2)c(=O)nc1O 1606390024 JEDRDVPRMQBCMZ-UHFFFAOYSA-N 392.379 -0.151 30 20 GBED CNC(=O)CN1CCN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)CC1 1609288549 XMYNHNSOJPNOPT-HNNXBMFYSA-N 382.428 -0.561 30 20 GBED COC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1N2C(=O)CCN/C(O)=C1/N=CC=CC1=O 1610164652 PXTYGCXUBNVMRO-VNEIGERZSA-N 391.380 -0.234 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)NC(C)=O)CCO2)C1 1778973324 ISVIWFADYQIQGZ-FRIZHTMISA-N 381.473 -0.086 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3c(F)cncc3F)C2)C1 1779732686 QHOYUKLPPNGTKN-KRWDZBQOSA-N 379.319 -0.109 30 20 GBED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566549 WMNZEAJHCZWHNK-SJKOYZFVSA-N 382.369 -0.534 30 20 GBED Cc1noc(C)c1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1785086693 KNJVKXKHWVAKQG-BPUTZDHNSA-N 389.408 -0.098 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCC(O)CC3)[C@H]2C1 1791410926 XUFLEEHGBGEXHV-NQBOGQKCSA-N 378.425 -0.395 30 20 GBED CNC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1793284921 IWSUFQQIOLBCDM-YLAUDWTASA-N 379.461 -0.816 30 20 GBED N#CCC(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1806286943 DQBOZVCQYPJUDS-APWZRJJASA-N 389.456 -0.712 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)Cn2ccnn2)[C@H]1c1cccnc1 1812879892 VSGFNMKTAGDBJN-KDOFPFPSSA-N 382.380 -0.533 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1831434375 WUEAVTBXMRKZBJ-SPYBWZPUSA-N 395.456 -0.830 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835431662 SEQULTHSMXPNOK-AUUYWEPGSA-N 397.472 -0.896 30 20 GBED COCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835672969 PEAJRJGJWAUFDW-SFHVURJKSA-N 382.461 -0.629 30 20 GBED CCN(CC)CC#C[C@@H](C)OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 121542999 NGKMCFRUAKOXFS-CYBMUJFWSA-N 375.429 -0.289 30 20 GBED CC/N=C(/NCCC(=O)N1CCOCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 262601970 YXSISPCMRMJWNP-MRXNPFEDSA-N 395.504 -0.476 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1 269966231 RFJOBZNJVUUJOY-ZDUSSCGKSA-N 399.494 -0.391 30 20 GBED C[C@@H](/N=C(/O)Nc1cnn(CCN2CCOCC2)c1)C(=O)N1CCOCC1 329961574 OQZSWDAWXRYRNC-CQSZACIVSA-N 380.449 -0.212 30 20 GBED CO[C@@H]1COC[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N 349464884 CUSQCTKLFWFFGR-VXGBXAGGSA-N 389.455 -0.477 30 20 GBED N#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N1CCn2cnnc2C1 349501998 JFBOUPRQJRAEFZ-UHFFFAOYSA-N 388.475 -0.869 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC[C@]1(N2CCOCC2)CCSC1 374445691 BPHLVGNAJLBXKR-OAHLLOKOSA-N 392.547 -0.109 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CC(n3cc(C(N)=O)nn3)C2)c1 378534935 QAIFNLWLJCKTGQ-UHFFFAOYSA-N 390.425 -0.462 30 20 GBED COC(=O)[C@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)Oc1ccc(F)cc1 409505419 AFDQMNSWTYMNRH-KGLIPLIRSA-N 387.389 -0.195 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCN3CCNCC3)C2=O)cc1 418904445 JERCBDHDHDOOOQ-KRWDZBQOSA-N 398.467 -0.809 30 20 GBED CC1(C)CN(C(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C[C@H](CO)O1 422105117 JQMPTTOIOMHADL-LSDHHAIUSA-N 388.424 -0.069 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1 440296378 YDZHJKACAJOZIA-LBPRGKRZSA-N 396.425 -0.589 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)C(=O)N1CCOCC1 481490475 KFZNAWGTNWTRPK-STQMWFEESA-N 394.453 -0.411 30 20 GBED C=CCOC[C@H](NS(=O)(=O)c1cccc(-c2nnnn2C)c1)C(=O)OC 481597670 MJZIBUIWQUTCPA-ZDUSSCGKSA-N 381.414 -0.100 30 20 GBED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CC(O)(CC#N)C3)CC2)c1 506364241 RJJXJOSHJOMBBP-UHFFFAOYSA-N 392.481 -0.066 30 20 GBED CN(CC(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O)S(=O)(=O)c1ccc(C#N)cc1 524276062 PIQIFHUKBXJXHK-CQSZACIVSA-N 390.421 -0.415 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)n1 540231741 IBYFGIBBDOCZAG-UHFFFAOYSA-N 387.444 -0.303 30 20 GBED CN1CN(S(=O)(=O)c2ccc(S(=O)(=O)NC3(C#N)CC3)cc2)CC1=O 573020284 GLGOZDGLLKZKCU-UHFFFAOYSA-N 384.439 -0.559 30 20 GBED CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 588676610 HDLDWEIAJREQIR-UHFFFAOYSA-N 379.442 -0.290 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CCOCCOC)CC1 653430402 CZTWYBMHMJZUJH-SJORKVTESA-N 383.489 -0.109 30 20 GBED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCOCC2)c(F)c1 739949701 ROUFZFIZQDZMST-UHFFFAOYSA-N 377.419 -0.362 30 20 GBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCC(=O)NC1(C#N)CCC1 784230744 QUUGOSWNRUBQMD-LLVKDONJSA-N 397.457 -0.191 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCO[C@@H](C#N)C1 820438232 LEFPKGHDMOBYHX-PWSUYJOCSA-N 391.413 -0.716 30 20 GBED C=CC[C@@H](CO)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 823888040 DDIAYAKFKVNKAE-VXGBXAGGSA-N 394.457 -0.166 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 850726331 GPEFGMRSEZKGCH-UHFFFAOYSA-N 388.424 -0.401 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)C2CCN(C(N)=O)CC2)C1 962944534 XTLNRXAXNOARSG-KBXIAJHMSA-N 380.445 -0.944 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2COCCO2)CC1 1003362825 FZBSMGXSRAIAGP-ZJPYXAASSA-N 375.469 -0.005 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 1024368359 DJOHAUMQRBZPTF-CRNXPOROSA-N 390.440 -0.547 30 20 GBED C#Cc1ccccc1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1024387409 PGGQSIJLIJZIFT-UTRMSSBJSA-N 385.464 -0.383 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn3ccc(C)nc23)C[C@H]1O 1025710468 QPWUXNNCQQHDEN-MIGQKNRLSA-N 385.424 -0.070 30 20 GBED CNC(=O)C1CCN(C(=O)CN2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@@H](C)C#N)CC1 1109090121 GEUKTEVVLJDDHR-UKMLZYKCSA-N 375.473 -0.148 30 20 GBED COCC#CCN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1c1cncn1C 1131070109 FUOFMGAKGIRFBP-YYIAUSFCSA-N 387.484 -0.322 30 20 GBED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N1CCOCC1 1303412568 YVDFGHUDPODDOY-CYBMUJFWSA-N 391.432 -0.996 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)NCCNc2ncccc2C#N)O1 1325559771 VFIZOOXGFHETGM-KGLIPLIRSA-N 388.428 -0.767 30 20 GBED C[C@]1(C#N)CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 1325696882 BIDNPCKQWUPYIK-LJQANCHMSA-N 375.473 -0.095 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](CO)Cc1cnn(C)c1 1557093691 RJBWGTNGUNOVPN-WFASDCNBSA-N 391.453 -0.322 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CC2(CCN(CC(=O)NCc3cnn[nH]3)C2)C1 1574985829 MCQVBHMOGHWDHX-INIZCTEOSA-N 385.472 -0.947 30 20 GBED CCN(CCC#N)C(=O)CN1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1577909432 QPYFXMOPKJHLDN-CYBMUJFWSA-N 385.432 -0.239 30 20 GBED N#C[C@]12CN(C(=O)NCc3ccc(-c4nn[nH]n4)cn3)C[C@H]1CS(=O)(=O)C2 1581860133 LPVBFHKICUGNNC-XHDPSFHLSA-N 388.413 -0.659 30 20 GBED C#CCNC(=O)[C@H](C)N(C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588353289 MYSSKLUWYBBVOX-STQMWFEESA-N 384.444 -0.273 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588354234 JKVAMFDJMLYAEO-WDEREUQCSA-N 386.416 -0.653 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588354411 MGCKILRBOLHABO-CMPLNLGQSA-N 384.400 -0.947 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](O)CN(C)c1cncc(-c2nn[nH]n2)n1 1588718307 HOHOYQOTFQNILZ-BZPMIXESSA-N 388.432 -0.497 30 20 GBED C[C@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@@H]1CCCN(CC(=O)NCC#N)C1 1589941435 STVGSNWRAQUIFD-NWDGAFQWSA-N 385.432 -0.335 30 20 GBED CN(C)C(=O)CN(CC(F)(F)F)C(=O)Cn1cnc(C#N)c1-c1nn[nH]n1 1591000437 CLDRFAPRATYLSC-UHFFFAOYSA-N 385.310 -0.586 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC([C@@H](O)C(=O)O)CC3)CC2)o1 1600682668 VOVOVCBFBVQNRE-MRXNPFEDSA-N 391.428 -0.339 30 20 GBED CN(C)c1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)cc(-c2nn[nH]n2)c1 1604697696 GRPIRDMBOHLKRK-UHFFFAOYSA-N 395.383 -0.503 30 20 GBED CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1604719716 HOIZHYKFJIEDNZ-DLBZAZTESA-N 399.455 -0.300 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ncc[nH]3)CC2)cc1 1660629248 VYPIPUDJKVWSHP-UHFFFAOYSA-N 381.439 -0.023 30 20 GBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2)C1 1781355642 PUJREUSMBOXWRL-KUHUBIRLSA-N 395.456 -0.275 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783751223 AWKLVZNNZFNNHG-JXFKEZNVSA-N 391.468 -0.133 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1800451120 NYGCMEOFAHMVEG-YWVIFJGQSA-N 377.422 -0.679 30 20 GBED Cc1ccc(C(=O)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc1 1800781074 GVOCRRDCSDLPQV-JLVBRIDZSA-N 384.388 -0.145 30 20 GBED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S)N1CCN(C)CC1 1800988377 MFYKWVOBKMWKLR-NPJQDHAYSA-N 384.546 -0.470 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1829768558 AXUTXNILHFVKDG-LWYAVPFISA-N 395.431 -0.341 30 20 GBED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830049525 AEBOVSMGGDYFML-KXBFYZLASA-N 394.472 -0.093 30 20 GBED COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1831443310 VUSHHNNEFGQNIK-INIZCTEOSA-N 385.442 -0.737 30 20 GBED CS(=O)(=O)CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831670162 PDXPFELRLURPLJ-AWEZNQCLSA-N 384.454 -0.261 30 20 GBED CCc1oncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834521948 BXAMVJYMTMXHRX-GOSISDBHSA-N 391.380 -0.605 30 20 GBED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H](COC)NC(C)=O)CC2)CC1 1835844064 DBNINSMJOLPYJO-KRWDZBQOSA-N 378.473 -0.658 30 20 GBED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)nn1C 1840161822 BTNHTENHXBDLCS-SJKOYZFVSA-N 398.485 -0.183 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1840408955 GZMDAHRQGPGEES-QGZVFWFLSA-N 375.385 -0.775 30 20 GBED CN1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)C1 1840816266 UVTWTXWVZHGRBW-LJQANCHMSA-N 376.457 -0.302 30 20 GBED N#C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCO1 266805564 DQMYPOUINTXSRS-DGCLKSJQSA-N 378.410 -0.562 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 267559356 MXEDXBDURJZTRY-UHFFFAOYSA-N 389.387 -0.169 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@](C)(O)Cn2c(C)cccc2=O)CC1 280880771 LVTXTYYSRHPSFL-HXUWFJFHSA-N 388.468 -0.809 30 20 GBED CCCS(=O)(=O)N1CCC(/N=C(/O)CN2CCN(CC)C(=O)C2=O)CC1 328939573 RZHYMFMNBYOKMN-UHFFFAOYSA-N 388.490 -0.162 30 20 GBED COCc1nc2n(n1)C[C@H](N/C(O)=N/[C@H]1CCCN(S(C)(=O)=O)C1)CC2 329792477 AESWVDPGCKSHOO-NWDGAFQWSA-N 386.478 -0.333 30 20 GBED C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1nnn(C)c1C 348391387 TYGAHMCOBPFKOS-NEPJUHHUSA-N 393.491 -0.482 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)NCC2(O)CCC2)c1C#N 349569298 PWGNPPMPRDBZPI-UHFFFAOYSA-N 391.475 -0.444 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C 349583541 XWZJUQYDUZTIPX-JHJVBQTASA-N 379.504 -0.105 30 20 GBED C[C@@H]1CN(c2ccc(CNS(=O)(=O)N3CCO[C@H](C#N)C3)cn2)CCO1 409585042 NTLAAJARKVGAJY-UKRRQHHQSA-N 381.458 -0.135 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@H]1CC(N)=O 457063030 QHFLGLUCKJTEJY-DGCLKSJQSA-N 380.426 -0.672 30 20 GBED C[C@H](O)C(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 498786820 ZNLGZTNSMGSQKI-ZDUSSCGKSA-N 394.453 -0.770 30 20 GBED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOC)C(=O)C1 508938576 KWEHCIXHJUPDOD-LBPRGKRZSA-N 386.478 -0.631 30 20 GBED CN1CCO[C@@H]2CN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)C[C@H]21 532124165 BJUABPMEAWFRSG-HZPDHXFCSA-N 378.454 -0.280 30 20 GBED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 538104924 AURUPHCTDDHEHE-LBPRGKRZSA-N 396.473 -0.012 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)CO)cc1 565230392 YGKPSEXEBCEWGE-VIFPVBQESA-N 383.398 -0.217 30 20 GBED CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](CN)C1 569323432 VBKVMCBUSZVYHN-DLBZAZTESA-N 398.467 -0.729 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@]1(O)CN2CCC1CC2 571775038 PAJNUTDXVBUMQB-UGSOOPFHSA-N 392.481 -0.202 30 20 GBED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1cncc(C#N)c1 574123033 GAOLAVHGERQIMC-UHFFFAOYSA-N 381.458 -0.636 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1C[C@@H](C(N)=O)C1 594633721 COEHRBHDVCUDEZ-GARJFASQSA-N 386.455 -0.581 30 20 GBED N#Cc1ncn(-c2ccccc2NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)n1 597662286 MHEIGGQTYFRPET-NSHDSACASA-N 375.414 -0.007 30 20 GBED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CC(N)=O 608912020 ZVNQQSBHDYVTRZ-UHFFFAOYSA-N 390.490 -0.268 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)Nc2sccc2-c2nn[nH]n2)CC1 735382015 USYGRCFTAHONNW-UHFFFAOYSA-N 388.457 -0.766 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H]2CCN(CC(F)(F)F)C2=O)C1=O 735716321 DKCQEQRAIPVFNY-QMMMGPOBSA-N 377.275 -0.330 30 20 GBED COCCN1C(=O)/C(=C\NN=C2C(=O)N(C)c3ccccc32)C(=O)NC1=S 746962264 UFHNBQVTMUIVNB-OEHQFBPZSA-N 387.421 -0.270 30 20 GBED C[C@H](OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C(=O)NC1(C#N)CCC1 787550971 GARHFEWRNGEHFF-NSHDSACASA-N 378.410 -0.022 30 20 GBED C#CCn1ccc(CN(CC)C(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)n1 790119450 YYXVWPXBNUEUOV-CYBMUJFWSA-N 378.458 -0.035 30 20 GBED N#C[C@@H]1CNC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 843460076 LKMRNWHFEKLFDP-YPMHNXCESA-N 380.426 -0.646 30 20 GBED N#Cc1ccc(N2CCN(C(=O)[C@H](CO)NC(=O)c3cccc(F)n3)CC2)nc1 845264338 CEQYWYAGOVWGEH-HNNXBMFYSA-N 398.398 -0.073 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](CN3CCCC3=O)C2)c1=O 853595590 QSCMGSSNXBIPRK-OAHLLOKOSA-N 389.456 -0.555 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCS(=O)(=O)C[C@H]1C1CC1)c1cc[nH]n1 854812027 XYUGIDJIWRRAPQ-ZDUSSCGKSA-N 398.441 -0.271 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(NS(C)(=O)=O)nc2)CC1 859224440 CIIBTYOJTDTJSO-UHFFFAOYSA-N 393.469 -0.650 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(N(C)C)cn2)C[C@@H]1O 970706667 KSGHOPLFUQEEKO-RZFFKMDDSA-N 375.429 -0.565 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nnc(O)nc2O)c1 1005971428 GTJVMQSJVASTNF-UPJWGTAASA-N 380.364 -0.165 30 20 GBED C=CCCn1cc(C(=O)NCCN(CCO)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)nn1 1058229669 XPWFSOUXGQGZOT-VUBIOHBQSA-N 389.456 -0.172 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(Cc3cc(=O)n(C)c(=O)n3C)C[C@H]21 1076263427 ABNIALVTCRKCCW-SVGFKBNWSA-N 388.468 -0.292 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(=O)NCC1CC1 1111194781 DDVBOKQLSSLCPZ-OAGGEKHMSA-N 375.473 -0.004 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCCN2CCCCCC2=O)CC1 1116990541 DPERZGSYZKBVSE-UHFFFAOYSA-N 390.484 -0.117 30 20 GBED CC#CCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1116991803 GZOJCEQWXMXHEY-UHFFFAOYSA-N 393.465 -0.147 30 20 GBED CS(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccc(C#N)c(Cl)c2)CC1 1117695803 PJEUAKZIADMLAW-UHFFFAOYSA-N 384.845 -0.068 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)[C@H]2OCC[C@H]2CC)[C@H](OC)C1 1212425842 HGCINHICMOTJFW-KQTLUZQSSA-N 382.461 -0.371 30 20 GBED COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)NCCn1cnc(C#N)n1 1309479349 QRIVEFQIVCKEBL-UHFFFAOYSA-N 378.414 -0.161 30 20 GBED C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1=O 1317692208 YPKOUKVAXDCXST-GUYCJALGSA-N 390.421 -0.371 30 20 GBED CN(C)C(=O)CCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1321632172 ZBHGNWYMXUNGAM-HNNXBMFYSA-N 385.424 -0.236 30 20 GBED C#CCOCCNC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1325777461 YMHHNPAGPLAMCB-MRXNPFEDSA-N 386.452 -0.230 30 20 GBED CCOC1CC(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)(N2CCOCC2)C1 1329365201 OWSAJZSRPALTAP-XUJQIHCRSA-N 394.472 -0.750 30 20 GBED C#CCN(C(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1)C(C)C 1336579208 OSDXEDPVIHQGEX-UHFFFAOYSA-N 375.429 -0.064 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCc2ccccc2S(C)(=O)=O)nn1 1345698075 AFBSYMYYWPYNLP-UHFFFAOYSA-N 377.426 -0.200 30 20 GBED C#CCOCCNC(=O)C(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O 1346997317 RFPZUJHCROFGIS-GFCCVEGCSA-N 393.421 -0.478 30 20 GBED N#Cc1ccc(N2CCN(C(=O)c3nc(N)nc(N4CCOCC4)n3)CC2)cn1 1349721390 RUSCNWRXRHAPSV-UHFFFAOYSA-N 395.427 -0.481 30 20 GBED N#Cc1cncc(N2C[C@@H]3C(CNC(=O)c4c[nH]c(-c5nn[nH]n5)c4)[C@H]3C2)n1 1571120733 PCRCGLUAYLONHW-CHWSQXEVSA-N 376.384 -0.031 30 20 GBED C#CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)[C@H](OC)C2CC2)CC1 1575004645 HTMCFDYRHWMJCI-GOSISDBHSA-N 388.472 -0.228 30 20 GBED C=C[C@@](C)(O)CC(=O)N(Cc1cnn[nH]1)C1CCN(C(=O)c2nc[nH]n2)CC1 1575073844 RYGHCGCGDKFTPP-QGZVFWFLSA-N 388.432 -0.117 30 20 GBED C[C@H](C#N)C(=O)N[C@@H](CO)CNC(=O)c1ccc(OCCc2cnn[nH]2)cc1 1575177857 MQANBLYXECCLEG-IUODEOHRSA-N 386.412 -0.207 30 20 GBED N#CCNC(=O)CNC[C@]12CCC[C@H]1CN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 1581858110 QRGGOSNKEJJJEM-UGSOOPFHSA-N 397.443 -0.334 30 20 GBED N#Cc1c[nH]c(C(=O)NCC2[C@@H]3CN(c4cnc(-c5nn[nH]n5)cn4)C[C@@H]23)c1 1581862627 ISBINLZLRKRRNN-RYUDHWBXSA-N 376.384 -0.031 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)cc1 1588351297 NPPFBOQQOVLLFS-IRXDYDNUSA-N 383.456 -0.469 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[nH]n3)nc2)C1 1588355191 FYPAAWBOWOWWNS-UGSOOPFHSA-N 385.428 -0.253 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588356716 FMUVJEPROPBKSE-RYUDHWBXSA-N 387.400 -0.810 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)NCCNc1nc(C)cc(-c2nn[nH]n2)n1 1588658333 GPIXWUTXNUGTRD-UHFFFAOYSA-N 388.436 -0.243 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC(=O)O)c1 1588845431 NXPGHSHNEOAEJF-CQSZACIVSA-N 395.437 -0.044 30 20 GBED CO[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2F)C[C@H]1NC(=O)CSCC#N 1591471257 KNCQGMLMVZKJHC-VXGBXAGGSA-N 392.420 -0.023 30 20 GBED CN1CCC[C@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)C1 1780576770 QXNJZQCMIHJMNU-RZQQEMMASA-N 391.468 -0.070 30 20 GBED CN1CCC[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782013891 WIJGPZQLPITLDK-RZQQEMMASA-N 391.468 -0.070 30 20 GBED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C)C(F)(F)F 1792630598 KGSFIKRXKYRTAG-PTEHBNRSSA-N 392.378 -0.034 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CC(N)=O 1793432960 TZELOIZLQKYHBV-AQDIXCGQSA-N 382.461 -0.112 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnc(O)nc2O)C3)c1 1798693499 GYSATCXOPQMDOY-GNXNZQSNSA-N 398.379 -0.395 30 20 GBED N=C1NCCN1CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1826873193 FAPOSRAQHZCFDL-OAHLLOKOSA-N 389.456 -0.466 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn(C)nc1OC)CCO2 1833866995 GWGANATZNYPEGR-LJQANCHMSA-N 390.440 -0.088 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1834760482 FBHFJOLMNITQQO-SFHVURJKSA-N 389.412 -0.351 30 20 GBED CCS(=O)(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338643 OPPVSKRMTWYHPJ-KRWDZBQOSA-N 399.469 -0.819 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836132169 MTRZIQCZVKDYQT-RDJZCZTQSA-N 397.501 -0.311 30 20 GBED C[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CCCN1 1839120469 GVKIQCRRXKIMNX-WOJBJXKFSA-N 375.469 -0.002 30 20 GBED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839646127 CXCXRXRZHYIIGB-CECLQJIQSA-N 390.440 -0.214 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)NC(C)=O)CCO3)C1 1839875736 UTVGXSQARCARTQ-IFXJQAMLSA-N 379.457 -0.066 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1840174503 HYDWHTREPYYXMN-FXAWDEMLSA-N 394.516 -0.345 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC2CCN(C(C)C)CC2)c1=O 114218091 ISQHZHIHSCRBKX-UHFFFAOYSA-N 391.472 -0.467 30 20 GBED CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 267983775 PINBWTHVNFVWDN-UHFFFAOYSA-N 389.460 -0.252 30 20 GBED C=C(C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 275219405 DBSCRRVMOXCZEK-UHFFFAOYSA-N 380.426 -0.562 30 20 GBED N#Cc1ccc(NCC(=O)N2CCOCC2)nc1NCC(=O)N1CCOCC1 276408066 HEOPVLGHNZJKRG-UHFFFAOYSA-N 388.428 -0.505 30 20 GBED Cc1noc(C)c1S(=O)(=O)NCC(=O)N(CCC#N)CCN1CCOCC1 290151925 VXMJGMOUNAJQJL-UHFFFAOYSA-N 399.473 -0.356 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3cc(C)no3)CC2)C1=O 299586821 VUOSTPODUARYLN-UHFFFAOYSA-N 375.385 -0.396 30 20 GBED C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 349484355 YIYWCKWQCJWFFD-RKFFSXRUSA-N 393.512 -0.124 30 20 GBED CN(C)C1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(C#N)cn2)C1 349493961 BRJLNFPFDORYEK-UHFFFAOYSA-N 387.487 -0.339 30 20 GBED N#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N=c2cc[nH]cc2)CC1 349522420 NNUDQSDEPSFYTD-UHFFFAOYSA-N 387.487 -0.894 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CC2)nc1 349572721 KTJSZDYZPSOSJE-UHFFFAOYSA-N 383.455 0.308 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 349583543 XWZJUQYDUZTIPX-XQQFMLRXSA-N 379.504 -0.105 30 20 GBED COC[C@H](O)CCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 371736727 PKUOONGCTAIVFH-GFCCVEGCSA-N 375.360 0.335 30 20 GBED CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1S(=O)(=O)N1CCO[C@H](C#N)C1 410140992 DFJUOTRBDWDZGF-XQQFMLRXSA-N 376.504 -0.009 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)N(C)C)c1 461638909 ZVIGYEFJAAGLFY-UHFFFAOYSA-N 375.472 -0.228 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CC(C)C)C(=O)Nc2cc[nH]n2)C1=O 479648581 MBUJDWHVXXKKPY-LLVKDONJSA-N 390.400 -0.144 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCN1C(=O)CNC1=O 481753783 VVMLENXFBTYCBP-LLVKDONJSA-N 393.425 -0.717 30 20 GBED N#Cc1ccccc1N1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)CC1 500090067 PXDFJGRVMFUOFE-UHFFFAOYSA-N 384.483 -0.345 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 565239850 NAQXGNWDAQYHJY-UKRRQHHQSA-N 378.454 -0.465 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C 591333136 KVZJPXRWDXOQQJ-VXGBXAGGSA-N 395.503 -0.237 30 20 GBED CO[C@@](C)(CO)CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 594628424 SFMCORLKHQYUEQ-SMDDNHRTSA-N 391.471 -0.447 30 20 GBED COc1cc(NC(=O)C(=O)N2CCC[C@H]2CS(N)(=O)=O)c(F)cc1C#N 599970352 MSUWQUGFBJKRTQ-JTQLQIEISA-N 384.389 -0.076 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1 728534593 PMTQMEKSVFGVAU-UHFFFAOYSA-N 389.456 -0.865 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(CC)CC2)c1 750733505 DBFNBQKJLKPOEV-UHFFFAOYSA-N 392.481 -0.508 30 20 GBED CN1C[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C(=O)N1 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376.388 -0.608 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1n[nH]c(C)n1 1109256019 CLINNRHPMLABTI-AGIUHOORSA-N 375.433 -0.611 30 20 GBED CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NCc1cccc(OCC#N)c1 1117070927 WTANZTBIMXNEFR-UHFFFAOYSA-N 396.469 -0.007 30 20 GBED CCn1nncc1CNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1119147500 SICXDWDPNBNAEW-GFCCVEGCSA-N 383.416 -0.687 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)CC1 1258234724 GYIGAJOCDUHWFI-MRXNPFEDSA-N 377.489 -0.339 30 20 GBED CCC(=O)N1CC[C@H](C(=O)NCC#CCNC(=O)[C@H]2CCN(C(=O)CC)C2)C1 1321358860 CUSVXJFBVYQXBA-HOTGVXAUSA-N 390.484 -0.261 30 20 GBED C[C@@H]1CCCN(CCNC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1321571701 KAZLESJZSXNDRF-JFVSRZABSA-N 377.445 -0.523 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1 1321608568 ZQSWUVWYAGZZGG-BBRMVZONSA-N 393.444 -0.318 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 1322618412 NYPIYFYZGWZSNF-AWEZNQCLSA-N 393.465 -0.193 30 20 GBED C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)[C@@H]1CCCO1 1323573178 XUJIFFYXMQMIMW-RSLFNQERSA-N 376.413 -0.880 30 20 GBED C#CCCCCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1324809050 MXUCHOOVXGAZBM-HNNXBMFYSA-N 387.502 -0.195 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 1337665507 RDFHTYSLVMDAGU-UHFFFAOYSA-N 376.417 -0.615 30 20 GBED Cc1cc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)n([C@H]2CCS(=O)(=O)C2)n1 1338751224 XIGUXWLLCSCMHA-XHDPSFHLSA-N 383.405 -0.046 30 20 GBED CNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1344645069 QMTGWZSTINGWIC-HNNXBMFYSA-N 384.440 -0.414 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@H]4C[C@]4(CO)C3)CC2)c1C#N 1344966262 ZVOGGDPZKHVHIM-SJKOYZFVSA-N 375.454 -0.187 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1cccc(C(=O)NC2CC2)c1 1345241481 KUWPGMHJQRERID-UHFFFAOYSA-N 393.465 -0.088 30 20 GBED CS(=O)(=O)NCCNC(=O)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 1346142976 TWLZFIBGIRHWFL-CQSZACIVSA-N 380.426 -0.876 30 20 GBED Cc1nsc(N2CCCN(C(=O)C(=O)N3CC[C@@](O)(CC#N)C3)CC2)n1 1349344963 VLQPDRSVDOIAPB-INIZCTEOSA-N 378.458 -0.238 30 20 GBED C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H]2COC[C@@]2(C(=O)O)C1 1549227985 CKSVCJBDPYLSGK-RVPKQNPDSA-N 393.421 -0.327 30 20 GBED C#CCN1CCC(C(=O)NC[C@@H](O)CNc2ncccc2-c2nn[nH]n2)CC1 1573281878 CHIJAWRPTUEDCQ-AWEZNQCLSA-N 384.444 -0.504 30 20 GBED C=CCn1cc(C(=O)N[C@@]2(C)CCN(c3ccc(-c4nn[nH]n4)nn3)C2)nn1 1573351618 UOMSIBWKRHMUDU-INIZCTEOSA-N 381.404 -0.167 30 20 GBED C#CCN1CCC[C@H]1C(=O)NCC1(NCC(=O)NCc2cnn[nH]2)CCCC1 1574986353 ZWDLGMKPZMZAGK-INIZCTEOSA-N 387.488 -0.463 30 20 GBED C[C@@H](OCc1cnn[nH]1)C(=O)NC[C@@H]1CN(c2cncc(C#N)n2)CCCO1 1575862512 LCKXWNROAKJIKB-IUODEOHRSA-N 386.416 -0.217 30 20 GBED N#Cc1cncc(N2CCOC[C@H]2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 1581883767 VUPBFLRYODTYLL-GFCCVEGCSA-N 380.372 -0.508 30 20 GBED C#CC1(O)CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)c(Br)c2)C1 1588333491 UGQRCMBXVZKLLG-UHFFFAOYSA-N 384.215 -0.002 30 20 GBED C#Cc1ccc(C(=O)NC[C@H]2CN(c3cncc(-c4nn[nH]n4)n3)CCO2)cn1 1588371371 FGUPNYRJHUQQRT-AWEZNQCLSA-N 391.395 -0.332 30 20 GBED C=CCN1CC[C@@H](NCCN(CCO)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1=O 1588656899 BGVPDSVQRORXNT-CYBMUJFWSA-N 388.432 -0.994 30 20 GBED C=CCOCC(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588671307 GLMJJHKJBUUKTI-GFCCVEGCSA-N 375.389 -0.645 30 20 GBED COc1ccc(CN2C[C@H](O)[C@H](NC(=O)C#CC3CC3)C2)cc1-c1nn[nH]n1 1591590207 ZCNZMQJOHZEPSQ-CVEARBPZSA-N 382.424 -0.050 30 20 GBED C[S@@](=O)CCN1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)O)CC1 1607385101 NBVOLFRIMJQSMM-XMMPIXPASA-N 385.467 -0.059 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@@H](C(=O)O)C3)C2=O)cc1 1610627583 CBOXBNYZMBRYCZ-CABCVRRESA-N 384.392 -0.292 30 20 GBED N#Cc1cn(CC(=O)N2CCCNC(=O)[C@@H]2Cc2ccccc2)c(=O)nc1O 1625200052 WJICSCSOELNJKD-HNNXBMFYSA-N 381.392 -0.220 30 20 GBED CCOC1CC(O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)C1 1710605224 VEZLCMYYBUWGMP-RYTBJUFESA-N 390.444 -0.112 30 20 GBED CS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1750217615 NZELLGYZWAQNDD-ZDUSSCGKSA-N 395.489 -0.092 30 20 GBED CC(=O)N(CC(=O)O)C[C@H]1CN(S(=O)(=O)c2cccc(C#N)c2)CCO1 1776202691 SJGLUOPLEOTJHT-AWEZNQCLSA-N 381.410 -0.119 30 20 GBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)[C@@H]2SC(=N)NC2=O)C1 1778085067 QXOQIIDEBSILDH-WKZPIUISSA-N 392.481 -0.064 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1 1778970193 YCAFOXWFMVKBGW-CKFHNAJUSA-N 397.472 -0.548 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784112489 PJYYDNLCFLENGS-AUUYWEPGSA-N 391.424 -0.668 30 20 GBED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2 1784196476 WEUDZRYJERBHHF-AUUYWEPGSA-N 390.440 -0.392 30 20 GBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)CS(=O)(=O)N1CCCC1)CCO2 1785422010 GELKWBLQZUKBDE-SFHVURJKSA-N 397.497 -0.345 30 20 GBED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]3C2)cc1 1787422603 VOKOBKOOHGRMJO-XSLAGTTESA-N 385.468 -0.634 30 20 GBED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2 1793389336 SQETXUCUGYRNBM-RKQHYHRCSA-N 382.490 -0.222 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCCOC 1795353560 BSDIYXNNBZBZTP-IVSAIRAKSA-N 384.473 -0.188 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@](C)(O)CC(=O)O 1801002659 GDSKYSVYTBMUGR-HAZWZUGHSA-N 396.440 -0.770 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccn3C)C2)C1 1831390998 CXTUONOGTZWSLT-DNVCBOLYSA-N 390.440 -0.472 30 20 GBED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834675986 MRGKCZTVQFADAX-UHFFFAOYSA-N 396.561 -0.040 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C)CCO2)C1 1834943926 FQVSMEXACFHXOA-LJQANCHMSA-N 397.472 -0.486 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nccn1)CCO2 1839237795 FEHXABVOYLYMHL-GOSISDBHSA-N 375.429 -0.462 30 20 GBED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1839646107 CEEVTGKPIGZWGP-MDNBWPLSSA-N 378.429 -0.214 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839862014 QVLNDNDLTLRDFD-WBVHZDCISA-N 387.502 -0.337 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840271879 SPNSEPYTFSIJKE-SPYBWZPUSA-N 394.424 -0.918 30 20 GBED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)n1cnnn1 1840474383 QFJZTZWYZPPJKA-KSSFIOAISA-N 388.428 -0.896 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cnc(O)nc1O)C2 1841054433 ZPJCZMGQQRSNNS-PLNGDYQASA-N 387.396 -0.437 30 20 GBED O=C([C@H](O)N1CCOCC1)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844314506 RDCLCSOFVZLRKG-PBGVMVHZSA-N 390.440 -0.448 30 20 GBED N#Cc1ncn(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 14143025 AQOWOLLIESETTR-UHFFFAOYSA-N 376.398 -0.191 30 20 GBED C#CCN1CCN(C(=O)c2cccc(C(=O)N3CCN(CC#C)CC3)n2)CC1 121781645 VBSKIIPENLMSOE-UHFFFAOYSA-N 379.464 -0.136 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)cc1 263816416 KXMHMDOJQZRUIK-CQSZACIVSA-N 375.406 -0.121 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)c2cn(CC(=O)OC)nn2)C1=O 275000993 URPCIIGQOAZEES-VIFPVBQESA-N 379.329 -0.968 30 20 GBED C[C@H](C(=O)Nc1ccccc1C#N)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 276076864 APBMEVHTKIIRFW-CYBMUJFWSA-N 397.439 -0.153 30 20 GBED C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 297873504 UOUUHDVOHANBNN-GOEBONIOSA-N 387.440 -0.400 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)NCCCNS(C)(=O)=O)c1 298314413 SYIFAHDCTWJCHP-UHFFFAOYSA-N 375.472 -0.180 30 20 GBED C/N=C(/O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 330525846 QEHZQAWDGNCXKC-UHFFFAOYSA-N 382.442 -0.145 30 20 GBED CN1CN(S(=O)(=O)CCCS(=O)(=O)N[C@@]2(C#N)CC2(C)C)CC1=O 349458114 LGPOTOMCYZCKLX-CYBMUJFWSA-N 378.476 -0.951 30 20 GBED CCc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)no1 349472509 GIWRBSLVHARYAT-UHFFFAOYSA-N 377.448 -0.061 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](S(=O)(=O)NC)C2)cc1 362131885 QFDQUJAIQOQBDL-AWEZNQCLSA-N 385.467 -0.638 30 20 GBED C=CCNC(=O)CNC(=O)[C@H]1[C@@H](C)CC(=O)C[C@H]1C(=O)NCC(=O)NCC=C 468406804 BGOSMZZJMZLACB-QEORTHHSSA-N 392.456 -0.945 30 20 GBED CN(CCS(=O)(=O)N1CC(O)(CC#N)C1)S(=O)(=O)c1ccc(F)cc1 479309347 CTVOGCBUDJPYOG-UHFFFAOYSA-N 391.446 -0.264 30 20 GBED N#CCC(=O)N1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 563377478 HCITVTPJMSIDRP-UHFFFAOYSA-N 388.384 -0.022 30 20 GBED CCOC(=O)c1c(NC(=O)C(=O)N2CCN(C)C(=O)C2)c(C#N)cn1CC 565474527 GGOCMGCFMGZTSC-UHFFFAOYSA-N 375.385 -0.205 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CO)CCF)cc1 594628883 MZTDRXZKKXGHMA-QWRGUYRKSA-N 379.435 -0.124 30 20 GBED CC(=O)NCC(=O)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 604466083 UPUGGRNXFSKYGC-MRXNPFEDSA-N 375.404 -0.213 30 20 GBED CCCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c1=O 663757614 ROAJNWXQDSVVRX-UHFFFAOYSA-N 387.465 -0.270 30 20 GBED CCS(=O)(=O)NCCOC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 731693198 MHDCHGVPLJRAGR-UHFFFAOYSA-N 375.428 -0.792 30 20 GBED C[C@H](NC(=O)c1cccs1)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732909983 IGMOMZJFMGNDSB-WDEREUQCSA-N 383.451 -0.168 30 20 GBED Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(N)=O)c2=O)cn1 781657858 DNAIPFPMENZXAC-UHFFFAOYSA-N 385.449 -0.609 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 785165071 NGBHJKVLOAJZKF-UHFFFAOYSA-N 399.451 -0.155 30 20 GBED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnn(C)n1 787854409 XHSCHFJXPUHBBC-GFCCVEGCSA-N 391.457 -0.020 30 20 GBED O=C(O)Cc1cccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 819547979 QZTXAQSLWRGAAR-NXVVXOECSA-N 386.364 -0.105 30 20 GBED C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)O 827761105 UKQFCLBNWVQZCP-ZJUUUORDSA-N 383.382 -0.642 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(OCC(F)F)n2)CC1 831565778 ZRYBAFOEKUUSNI-UHFFFAOYSA-N 388.396 -0.049 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc(C(=O)O)ccc2C)CC1 833365825 SWQIKNLDNJTSCW-UHFFFAOYSA-N 394.453 -0.283 30 20 GBED C#C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N=c2nc(C)[nH]n2C)cc1 848941100 GBFJLTWEFNEQDX-JTQLQIEISA-N 383.455 -0.354 30 20 GBED C#CCN(CC)S(=O)(=O)CCCS(=O)(=O)N=c1ccnc2n(C)[nH]cc1-2 848959205 ASSMQCYCVOYFBX-UHFFFAOYSA-N 399.498 -0.242 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1cn[nH]c1)[C@@H]1CCCO1 848962878 BDFIRYSUNQSWBE-OLZOCXBDSA-N 376.460 -0.358 30 20 GBED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@@H]2CCS(=O)(=O)N2)[nH]1 996627492 PQJFURGLFFNAAB-XWUBHJNHSA-N 377.426 -0.560 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2O)nn1 1023919734 YRTATVMFMGRNBD-XLOUWHCTSA-N 387.440 -0.421 30 20 GBED CCO[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CNc1cncc(C#N)n1 1047945232 KRFVMWHRBYKYBD-FAAHXZRKSA-N 388.428 -0.343 30 20 GBED C#CCCN1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094663292 MKWITXJNZSUZEQ-VVLHAWIVSA-N 376.482 -0.143 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCN(C)S(C)(=O)=O)nn1 1111112365 LMVXKNWUAXYZMW-NFAWXSAZSA-N 382.490 -0.309 30 20 GBED C[C@H](C(=O)NS(=O)(=O)c1cn(C)nc1C(F)(F)F)n1cnc(C#N)n1 1117720692 BIDARVINDCTBGI-ZCFIWIBFSA-N 377.308 -0.032 30 20 GBED C#CCN1CCN(C(=O)c2cc(=O)cc(C(=O)N3CCN(CC#C)CC3)[nH]2)CC1 1119970674 HGHZREKPLYGXPD-UHFFFAOYSA-N 395.463 -0.843 30 20 GBED COCCN(C)S(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1252851749 KIXZCZCWIUWWNW-ZDUSSCGKSA-N 380.426 -0.150 30 20 GBED O=C(CN1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1)NC1CC1 1318455167 NLZQRAPHABUQNO-WUKNDPDISA-N 390.444 -0.881 30 20 GBED Cc1nnc(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n1C 1322202053 LKXAYFQYAKGKSM-UHFFFAOYSA-N 381.440 -0.044 30 20 GBED C=CCCSCCn1nnnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1334542770 FPGYOBRBDGYFME-UHFFFAOYSA-N 379.490 -0.090 30 20 GBED C=C(C)Cn1c([C@@H]2CNC(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1356103600 ZMDJCJAADYPWFK-STQMWFEESA-N 387.444 -0.070 30 20 GBED C#CCOCCC(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575014233 YVEPVHDEIVOITF-ZOBUZTSGSA-N 388.472 -0.180 30 20 GBED N#Cc1c[nH]c(C(=O)NCC2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]23)c1 1581863052 VKUYIWAQTGCUMJ-VXGBXAGGSA-N 376.384 -0.031 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(C)csc2C(=O)O)CC1 1588484102 QCJZMGUGRMRGJL-UHFFFAOYSA-N 385.467 -0.190 30 20 GBED COCC#CCN(CCO)[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1591360275 BWTRJKFIZUOVOI-HNNXBMFYSA-N 387.444 -0.257 30 20 GBED Cc1c(-c2nn[nH]n2)c(=O)n(CC(=O)N(CCC#N)CCC#N)c(=O)n1C1CC1 1591793596 DIESHGHQWVANCT-UHFFFAOYSA-N 397.399 -0.511 30 20 GBED COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1779311007 PPORWARZRMANQZ-APWZRJJASA-N 377.441 -0.619 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCO2 1781272116 WQIBHTUCXVUXBI-LIRRHRJNSA-N 395.456 -0.150 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)CN(C)C(=O)C(=O)O)C3)C2)C1 1782745779 UUBOWRKPWCEHFI-GOSISDBHSA-N 379.413 -0.675 30 20 GBED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783558830 ZUHHRTNGMKLAJP-IQUTYRLHSA-N 392.408 -0.506 30 20 GBED C=CC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1790825377 CCPYUBUPNSIXIW-FQKPHLNHSA-N 392.456 -0.224 30 20 GBED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21 1791267172 YCKAFRCTXRJSAC-VOAKCMCISA-N 381.454 -0.791 30 20 GBED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4C(=O)C=CC4=O)[C@H]3C2)CC1 1791393694 PZZAPEFQDDEYDI-IHRRRGAJSA-N 386.408 -0.805 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(N)=O)[C@H]2C1 1792282904 GBEQIDNXENOLGV-XDQVBPFNSA-N 382.461 -0.793 30 20 GBED O=C(Cn1cncn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1795852555 QTOWBNIVPQBTET-DJRHUFDISA-N 389.460 -0.661 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ncccn2n1 1797377589 PSXWYSARVDDDRU-AFIMGQEJSA-N 397.435 -0.029 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](O)NC(=O)OCC 1798263626 XHADQARDJMBMBY-HAFSJTIUSA-N 381.429 -0.273 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CNC(N)=O)[C@H]1c1cccnc1 1814222291 MYLBIAIMMQRJRG-FRFSOERESA-N 387.440 -0.206 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CC[C@H](N)C(N)=O)C3)C2)C1 1829667012 QHINBDJQSUMOFJ-KXBFYZLASA-N 394.472 -0.998 30 20 GBED COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830054572 UJGOUZIYIWIQNW-GOSISDBHSA-N 383.445 -0.344 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831023510 MKDRCPPUBCIWHB-BLLLJJGKSA-N 387.458 -0.787 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[nH]n3)C2)C1 1831386589 AWDLQMMSJMTFPG-KBXCAEBGSA-N 376.413 -0.482 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4nccn4)CCO3)C2)CCC1 1839239505 XVWVPCHHLIVQBP-SFHVURJKSA-N 388.428 -0.572 30 20 GBED C[C@@H]1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042697 JBFGPJPBZLTSNW-CLCXKQKWSA-N 378.425 -0.033 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](C)N(C)C(C)=O)C2 1841054492 HMLASUMKRLSICZ-WBTMPAOCSA-N 376.457 -0.085 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1843008346 XOOJTYJCQYJWPG-LBPRGKRZSA-N 386.412 -0.174 30 20 GBED NC(=O)[C@H](N)CCC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844300000 FVEVZYFYTNILKJ-KRQYPMCISA-N 395.460 -0.688 30 20 GBED C/N=C(/NCC(=O)NCC(F)(F)F)N1CCN(c2cnn(C)c2)C(=O)C1 155840559 VUILNHUMICVRSP-UHFFFAOYSA-N 375.355 -0.677 30 20 GBED C=CCN(C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)[C@H]1CCS(=O)(=O)C1 264435828 RKBUYXVEAYXWBP-SMDDNHRTSA-N 385.467 -0.082 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)OC)c(C)o2)CC1 267543967 YYLPXBKRAYNJRT-UHFFFAOYSA-N 397.453 -0.180 30 20 GBED C=CCN1CC[C@H](N(C)CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)C1=O 281370536 ONERVEWWDQDXAE-ZDUSSCGKSA-N 391.472 -0.313 30 20 GBED CC(C)(C)C(=O)NCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 286023132 QRARNBBYIJXPNK-UHFFFAOYSA-N 386.456 -0.120 30 20 GBED C[C@@H](CN1CCN(C)CC1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 290283037 QZFGSOHDTXZGFI-AWEZNQCLSA-N 379.486 -0.411 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 290297761 SJSNWEDJGGTCKE-UHFFFAOYSA-N 389.387 -0.169 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCn1cc(CO)nn1 290556955 JTPCHSIMQJTGBN-GFCCVEGCSA-N 392.441 -0.485 30 20 GBED Cc1nc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)ccc1C#N 291886023 JEMKZSHMFOWLPY-CQSZACIVSA-N 384.483 -0.099 30 20 GBED Cc1cc(N2CCC[C@@H](/N=C(/O)c3cn(CC(=O)N(C)C)nn3)C2=O)n(C)n1 329803046 JMUOPOSDFLHPEY-GFCCVEGCSA-N 388.432 -0.092 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1=O 374062964 UBKUVEUDNLCFAE-HZPDHXFCSA-N 378.473 -0.588 30 20 GBED C[C@H]1CC[C@@H](C)N1CCN1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409560371 ALODUBHRPOUAKU-BBWFWOEESA-N 385.534 -0.054 30 20 GBED COC(=O)c1cccc(NC(=O)C(=O)NCC(=O)NCC#N)c1OC(C)C 508941840 KPDLHIUXSXUBNK-UHFFFAOYSA-N 376.369 -0.045 30 20 GBED CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCn1cnc(C#N)n1 511410296 JALKAYUMRWIAHU-UHFFFAOYSA-N 384.443 -0.574 30 20 GBED N#CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 511917088 RHHDQKMWHOTMRI-UHFFFAOYSA-N 390.425 -0.786 30 20 GBED COCc1ncc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c(N)n1 521368353 IDGVDVQVSKNXEF-UHFFFAOYSA-N 390.425 -0.328 30 20 GBED CN(CCC#N)C[C@H](O)CNCCC(=O)N1CCN(c2ncccn2)CC1 569837026 FYKRSTGFVZHQAN-MRXNPFEDSA-N 375.477 -0.689 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)CC1 588128108 YVXHGIFKOGISRA-IRXDYDNUSA-N 377.489 -0.150 30 20 GBED CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccc(C#N)c(F)c2)CC1 589887595 SNZXOOJMTWMDKS-UHFFFAOYSA-N 390.462 -0.447 30 20 GBED CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)c1C 592302958 YGUOAFUYMKJDJG-MRXNPFEDSA-N 380.426 -0.281 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 592319794 VCAZPALEQUVVIG-CQSZACIVSA-N 375.381 -0.582 30 20 GBED CC1(C)C(=O)NCCN1S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 594623433 GRPJWCZFDBAYDT-UHFFFAOYSA-N 386.455 -0.612 30 20 GBED N#CCN1CCC(NC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 611562385 HLUZRYXFJZMRKJ-INIZCTEOSA-N 399.517 -0.190 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)n2nnc(-c3ccccc3)n2)CC1 742634362 NXFADLXQUWXMCZ-OAHLLOKOSA-N 381.440 -0.205 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)NCC(C)C)CC2)C1=O 748555945 LMQKTEUQQSAYAQ-UHFFFAOYSA-N 378.429 -0.026 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCc1cccc(S(=O)(=O)NC)c1)[C@@H]1CCCO1 787852733 SLGRMPKFMABWFK-CABCVRRESA-N 379.438 -0.492 30 20 GBED COC(=O)CN1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 789911558 PZJCTYYXMVECHT-UHFFFAOYSA-N 380.426 -0.958 30 20 GBED CCn1c(=O)c2ccccc2n(CC(=O)NS(=O)(=O)CC2(C#N)CC2)c1=O 793195284 JDGCEQVQROBKGB-UHFFFAOYSA-N 390.421 -0.067 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1=O 798546527 ZMAPMRMSGZGBHT-OCCSQVGLSA-N 396.469 -0.603 30 20 GBED CN(C)S(=O)(=O)c1c[nH]c(C(=O)NS(=O)(=O)c2cncc(C#N)c2)c1 813982518 LRQGNBLJJNLYQT-UHFFFAOYSA-N 383.411 -0.350 30 20 GBED N#Cc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)CC(N)=O)CC2=O)cc1Cl 835293003 MASYNFVHXFTBQR-VIFPVBQESA-N 384.801 -0.504 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)CC#N)CC1)c1cc[nH]n1 847579203 FPOWKKLEWLZWEN-UHFFFAOYSA-N 376.373 -0.722 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2c(C)nn3cccnc23)C1 963762894 OJONNDKQPSJKLT-KBXIAJHMSA-N 385.424 -0.070 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cccc(C)c2=O)C[C@@H]1O 964613614 KKBWGPYXQDOTBK-NCOADZHNSA-N 389.452 -0.174 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2[nH]nnc2C)C[C@@H]1n1ccnn1 990962728 GUULMANXOIXZJH-MQYQWHSLSA-N 386.416 -0.522 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)C[C@H]1O 1023942753 ODAGAHSIAZEJPU-JJXSEGSLSA-N 388.424 -0.537 30 20 GBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1O 1024956345 VCCQQXHNOGCTKV-XMTFNYHQSA-N 383.448 -0.200 30 20 GBED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(OCC#N)cc2)CC1 1118473801 YPGBCBWBAMAXGT-UHFFFAOYSA-N 395.441 -0.522 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(=O)c3ccccc3n2C)CC1 1119054570 RVHSMCHQSPDJLQ-UHFFFAOYSA-N 388.449 -0.236 30 20 GBED C#CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1129103369 LDNADTGSXADOME-RNGZQALNSA-N 386.456 -0.816 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCOCCNC(C)=O)C[C@H]1OC 1213559886 ZBTQNPIACCDNQX-MLHJIOFPSA-N 383.489 -0.064 30 20 GBED C#CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1228575206 LRQHHXBMDRSVAD-FPCVCCKLSA-N 378.473 -0.611 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 1257560594 PIMLWVQYUJFPLG-UHFFFAOYSA-N 380.448 -0.064 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)CCN1C1CC1 1261924632 AYTHFBJSUFTXSN-MAUKXSAKSA-N 389.500 -0.198 30 20 GBED N#C[C@@H]1CN(c2nnc(CC3CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1316541547 ZTGUFCIVBVBQPW-CJNGLKHVSA-N 381.458 -0.491 30 20 GBED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC3(C#N)CC3)cn2)C[C@@H](C)O1 1322501464 MRGPFUWMTZHJTB-CHWSQXEVSA-N 388.428 -0.123 30 20 GBED N#Cc1ccccc1CSCCNC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 1340247023 GHIDGLVZVGDILH-AWEZNQCLSA-N 376.438 -0.380 30 20 GBED C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N)[C@@H]1CCS(=O)(=O)C1 1574673890 QWFLDVQCTDAXDD-CHWSQXEVSA-N 394.501 -0.407 30 20 GBED C#CCN(C(=O)[C@@H]1CCc2nnnn2CC1)C1CCN(Cc2cnn[nH]2)CC1 1574894781 GULFWDPDFPAWBW-CQSZACIVSA-N 383.460 -0.130 30 20 GBED C=CCNC(=O)CN1CC[C@@H](NC(=O)C2CCN(Cc3cnn[nH]3)CC2)C1 1575104811 WVMSHMDXOUNRAN-OAHLLOKOSA-N 375.477 -0.491 30 20 GBED CN(C[C@@H](O)CN(C)c1cnc(-c2nn[nH]n2)cn1)C(=O)c1cc(C#N)c[nH]1 1579027924 KIFKELCSOZVFJZ-NSHDSACASA-N 382.388 -0.574 30 20 GBED Cc1c(-c2nn[nH]n2)c(=O)n(CC(=O)N(C)C2(C#N)CCCCC2)c(=O)n1C 1580521478 NXBBSDOEYKZWAS-UHFFFAOYSA-N 386.416 -0.280 30 20 GBED N#Cc1cc(C(=O)N[C@@H]2CCN(c3ccncc3-c3nn[nH]n3)C[C@@H]2O)c[nH]1 1581865553 LFHGAJNNUPWJJI-HIFRSBDPSA-N 379.384 -0.169 30 20 GBED N#Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)cn3)C[C@H]2O)[nH]1 1581868040 FSRAAAQXSXJJIC-GXTWGEPZSA-N 379.384 -0.169 30 20 GBED N#Cc1ccc(C(=O)N2CCO[C@H](CNc3nccnc3-c3nn[nH]n3)C2)[nH]1 1581868108 JCDFIICSUQHTSU-LLVKDONJSA-N 380.372 -0.190 30 20 GBED C=CCCOCC(=O)N[C@H]1CCN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@H]1O 1588616366 FJJIACMXCVOMSC-GXTWGEPZSA-N 388.432 -0.386 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588665549 MRQPJTFRKLYMTP-WCQYABFASA-N 389.416 -0.257 30 20 GBED CO[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1NC(=O)CSCC#N 1591470534 DCTOVZHIJHIDIM-GHMZBOCLSA-N 375.418 -0.767 30 20 GBED C#CCSCCNC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1602732591 BRRYQWLNBVQUQA-UHFFFAOYSA-N 380.455 -0.372 30 20 GBED COC[C@H](C#N)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1605042343 XZFUZQBCZCMNSZ-KOLCDFICSA-N 380.386 -0.385 30 20 GBED N#Cc1c(CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cccc1C(=O)O 1608190252 BIARTZMSQQQSKX-HZPDHXFCSA-N 379.438 -0.468 30 20 GBED CN(C)C(=O)CCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1766859789 MBSQMINZQHQYPS-AWEZNQCLSA-N 389.460 -0.002 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4nc5ncccn5n4)C3)C2)CC1 1777828845 BHOQHKSPWDQMRL-SFHVURJKSA-N 381.396 -0.128 30 20 GBED O=C1NC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)O1 1779134615 LQYRUJOOPSBOFI-LSURILFWSA-N 390.396 -0.363 30 20 GBED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1783891093 YUGLNWHUKTXTMO-MGPLVRAMSA-N 392.441 -0.821 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)NC1)C2 1793341510 XGJHMCOYMWQQEA-WVCIDPQESA-N 377.441 -0.860 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)CNC(C)=O 1793468140 CWPFSFPPQJSZTQ-LLLHUVSDSA-N 393.484 -0.223 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC)C(=O)O 1795641999 FMZVSZOXEPIBOT-YMSVYLFOSA-N 397.472 -0.788 30 20 GBED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c1 1798579515 JNZSHIGSNSGCIX-CCWDJLKJSA-N 397.387 -0.142 30 20 GBED CN(C)C(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798691197 GDLBLBSIYHKTMT-YWVIFJGQSA-N 388.428 -0.639 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C(/C)C(=O)O 1802010595 ZMZQQCVMIHJDBJ-CQIOVPBSSA-N 391.424 -0.535 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cc(CO)on2)[C@H]1c1cccnc1 1812878094 SYENDTLIVJQPBU-ACJLOTCBSA-N 398.375 -0.031 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCOC4=O)C3)C2)C1 1829660806 FOJBMHNTCHFOJZ-LJQANCHMSA-N 393.440 -0.139 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830584098 DFJWUTCRGFKCNV-JNKIDDAASA-N 396.484 -0.213 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835356868 AAGDPNFGJFEUAV-CXAGYDPISA-N 381.433 -0.807 30 20 GBED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)Cn3cccn3)CC2)CC1 1837973394 ZUAKVHJWRBPDSB-UHFFFAOYSA-N 388.424 -0.030 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1839808984 NHCDRNMLMMPDHC-KRWDZBQOSA-N 387.421 -0.211 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1839840536 HQPDOEKVBLGLGP-CRAIPNDOSA-N 377.445 -0.053 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1840172028 MWPWKNFPWPXNHH-KRWDZBQOSA-N 393.400 -0.176 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259443 QKSGCHWGRJZBEP-SKCQWOFPSA-N 395.460 -0.274 30 20 GBED O=C1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@H]3CCCCO3)C2)N1 1844299948 BIDVNGIRTQTSMX-YFIZATLZSA-N 378.429 -0.003 30 20 GBED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)CN(CCO)CCO)C3)cc1 1844929703 TUELRGXYLHBTQL-UHFFFAOYSA-N 386.452 -0.338 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H]3[C@H](CCCN3C)C2)c1=O 247251229 ZSXTYOROLSVUFR-HZPDHXFCSA-N 375.473 -0.083 30 20 GBED N/C(=N/CCNS(=O)(=O)c1cccs1)N1CCN(c2ncccn2)CC1 262819227 WOXGDRVFRAGIHJ-UHFFFAOYSA-N 395.514 -0.047 30 20 GBED N#Cc1ccc(CNC(=O)CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 265388665 SXWRVBDGHKHPCS-SJORKVTESA-N 392.481 -0.738 30 20 GBED C=CCNC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1 271982985 NPXKUYHJKKOHGT-NSHDSACASA-N 382.442 -0.270 30 20 GBED COCCn1cnc2c1c(=O)n(CC(=O)NCC#N)c(=O)n2Cc1ccccc1 299630794 GMCZULVIAWZPST-UHFFFAOYSA-N 396.407 -0.306 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[S@@](=O)C[C@H](C)C1 349456930 JVWXFQCUTCLGJP-GPAUDHNESA-N 399.560 -0.372 30 20 GBED C[C@@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 349480825 NJSCQQQEZJAHSP-NEPJUHHUSA-N 385.533 -0.710 30 20 GBED C[C@H]1[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)CC[S@]1=O 349485537 URLMPVDSHAXEIF-SMDDFHAHSA-N 385.533 -0.667 30 20 GBED CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)[C@H]1C 349528814 YNJBXZAIAQQPLS-NEPJUHHUSA-N 380.492 -0.910 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NC[C@@]2(N3CCOCC3)CCSC2)CCO1 409567675 RKLSBVQUOPBOLO-KBPBESRZSA-N 376.504 -0.747 30 20 GBED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC1 410488697 HZEXYGRRVXZMFO-CABCVRRESA-N 381.477 -0.710 30 20 GBED C=CCN(CCOC)C(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 410909531 LWKDZMLNAZVMCL-INIZCTEOSA-N 396.488 -0.961 30 20 GBED CN(CCC#N)C[C@H](O)Cn1c(=O)c(I)cn(C)c1=O 414161591 KGVAAFJTQKAIKH-VIFPVBQESA-N 392.197 -0.642 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3CNC[C@@H]32)C[C@@]12C(=O)Nc1ccccc12 423719123 BYXAFCNBNDLCNU-AFTNEDFKSA-N 379.420 -0.321 30 20 GBED CCOc1ccc(N(CCC#N)C(=O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 483286848 PVUSCDLRLXRKCJ-MRXNPFEDSA-N 399.451 -0.025 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccnc(OCCN(C)C)c2)C1=O 497626312 BAJKQCZABXTRQL-UHFFFAOYSA-N 375.385 -0.063 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)CNS(=O)(=O)c2cccnc2)CC1 573319245 NHXIOUZOIUVRKG-UHFFFAOYSA-N 386.437 -0.025 30 20 GBED CN(C)C(=O)CNC(=O)c1ccc(NC(=O)NCC(=O)NCC#N)cc1Cl 588265623 SWZLZAUUIICWSW-UHFFFAOYSA-N 394.819 -0.081 30 20 GBED CN(CCOCCN)C(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 600796565 IWJJENWRCLVCDR-UHFFFAOYSA-N 377.420 -0.220 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(C(=O)C3CC3)CC2)cc1 727010103 MEPQOYQDBWQGRT-UHFFFAOYSA-N 398.419 -0.088 30 20 GBED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1cccc(C#N)c1 728765013 XZVLECOVZSRPDN-AWEZNQCLSA-N 378.410 -0.510 30 20 GBED C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC(=O)NCC#N 731240550 HRJCAUOMFIRKAG-NSHDSACASA-N 396.425 -0.762 30 20 GBED CCCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 769202777 GGAWHEXIWNZMSI-UHFFFAOYSA-N 382.398 -0.384 30 20 GBED Cn1cc(-c2ccc(C=c3sc(=C(C#N)C#N)n(CC(N)=O)c3=O)s2)cn1 800847554 DRDSLWONSLTYHJ-UHFFFAOYSA-N 396.457 -0.116 30 20 GBED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NCC(=O)NCC#N 804822472 SVVMMWIUYQFCBC-GFCCVEGCSA-N 381.433 -0.352 30 20 GBED N#Cc1cncc(S(=O)(=O)NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)c1 813982026 AMAAAEZMERQUSH-HNNXBMFYSA-N 398.404 -0.122 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 826754851 PVSQQLDPCYDECS-UHFFFAOYSA-N 395.481 -0.150 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@@H](C1)C2(F)F 848959476 IZSRMWSINIYIBO-VXGBXAGGSA-N 381.426 -0.308 30 20 GBED C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1nnc([C@H]2CCCO2)o1 848964526 AUCJVWSSBWAUMP-GHMZBOCLSA-N 392.459 -0.006 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(COC)cc2)CC1 872515644 SCAZETZPSPOMGN-UHFFFAOYSA-N 387.483 -0.393 30 20 GBED C#CCOc1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)[C@H](OC)C2)cc1 946789571 NZRLISGHTPDDFL-YYIAUSFCSA-N 385.420 -0.224 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1C 949877131 ACZYORBYBIPHAT-BHPKHCPMSA-N 390.444 -0.679 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)nc2COC)C1 968320223 YWBXDWLAROIOLZ-IRWJRLHMSA-N 392.456 -0.151 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccnc3[nH]nnc23)C1 969270904 LNLQUPWEVDQAGU-ZZVYKPCYSA-N 386.412 -0.364 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3nc(C)n(C)c3=O)[C@@H]2C1 974776840 KAYUYRDBHRPYIO-FPCVCCKLSA-N 389.456 -0.459 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)[C@@H]1C 988281923 BPOXGCMGAVDKSL-FHIRATQRSA-N 392.456 -0.033 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1O 1023916395 WJCDIMYBJRYUCQ-SHFYGJNESA-N 390.440 -0.547 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)nc2COC)C[C@H]1O 1023942699 KUBOWQLDEHAAQL-JFOHDYCDSA-N 392.456 -0.151 30 20 GBED Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2Nc2cncc(C#N)n2)c1 1052702378 IQYBATGQYWCNFB-UKTARXLSSA-N 380.412 -0.390 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCc2nc(O)n[nH]2)C1 1070195894 FGFQQFDMTHFHKP-MQYQWHSLSA-N 388.432 -0.375 30 20 GBED C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCC[C@H](C(N)=O)C1 1109066325 ZCDRZGBITQAUCS-FZKCQIBNSA-N 378.473 -0.366 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](NC(=O)COC)C(C)C 1109811810 VXYQEUOHJXRDNU-LLDVTBCESA-N 378.473 -0.756 30 20 GBED Cn1c(-c2ccc(C#N)[nH]2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1122999931 WZRQCJANZDZEDW-UHFFFAOYSA-N 384.444 -0.337 30 20 GBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)[C@H](C)C1 1208579796 GNHGVMFOHSQNGD-WCXIOVBPSA-N 392.500 -0.105 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 1211875650 QMIYFCKWIGMWLH-CQSZACIVSA-N 379.504 -0.006 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cnc3n(c2=O)CCS3)CC1 1318554121 CMQXARQWBYLCRG-UHFFFAOYSA-N 375.454 -0.754 30 20 GBED N#Cc1ccccc1N1CCCN(C(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)CC1 1324819955 HCSANEHSHIKQJI-INIZCTEOSA-N 396.451 -0.167 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 1324838834 VILWEPLRWZUFRO-UKRRQHHQSA-N 387.502 -0.034 30 20 GBED COC[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)OC 1327106034 SSUVGJFCODFJEO-JKSUJKDBSA-N 388.424 -0.053 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCc1nn(C)c2ccccc12 1327258760 MUPYVLWSMAYKOO-UHFFFAOYSA-N 378.454 -0.051 30 20 GBED CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C1 1330946908 DGRCYVYHYBZHCJ-OAHLLOKOSA-N 390.465 -0.148 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCN(CC(=O)N[C@@H](C)CC)CC2)CC1 1334911607 LAROQHZYMRXDHM-INIZCTEOSA-N 394.516 -0.025 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCN3CC[C@@H](O)C3)n2)cc1 1348371932 NPTQAESMINASJV-OAHLLOKOSA-N 383.412 -0.681 30 20 GBED C[C@@H](C#N)C(=O)NCCN1CCC(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1573582865 HRCJZVANODHAME-NSHDSACASA-N 385.432 -0.335 30 20 GBED N#Cc1cn(CCC(=O)N2CC[C@H](OCCN3CCCC3)C2)c(=O)nc1O 1588256024 IOFGBNGHPXVJNR-HNNXBMFYSA-N 375.429 -0.076 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CC(Oc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CCCO1 1588328003 WVCPBVYZCCMQDA-HOTGVXAUSA-N 396.407 -0.247 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)N1CC(=O)N[C@@H](C)C1 1588635832 XXEGFZNZVIFBGS-LBPRGKRZSA-N 383.412 -0.272 30 20 GBED N#Cc1ncn(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2)n1 1592710372 WMDLSZMJVZGODX-GFCCVEGCSA-N 392.383 -0.501 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)O)[C@H]2CCC[C@H](OC)C2)C1=O 1602894483 GAYVBZAKNWOXIC-GVXVVHGQSA-N 381.385 -0.262 30 20 GBED Cc1cc(C(=O)NCC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)no1 1779125143 PEVLNVULCQHELL-PXAZEXFGSA-N 396.469 -0.139 30 20 GBED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1783898576 QYDKYVUIPZDIEE-QLJPJBMISA-N 379.442 -0.663 30 20 GBED NC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1785628972 GQNSUXBXUIKWNB-DXTMGYRDSA-N 397.432 -0.986 30 20 GBED CNC(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786857871 CFFMYOJOKNGDRN-KKUMJFAQSA-N 393.488 -0.616 30 20 GBED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1789891636 KSQVLEWZSPPCRM-KKUMJFAQSA-N 392.408 -0.437 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(C)=O)C2 1792485975 ZJLRODVTBBXPIC-XOGJXXCJSA-N 377.441 -0.196 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1O)C2 1793340466 IJMLZKLTQRDGOM-VWPFQQQWSA-N 389.408 -0.673 30 20 GBED C[C@@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795411956 AKMVKXUZIUXYHH-RBNVPPIJSA-N 379.413 -0.504 30 20 GBED C=CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)[C@@H](O)C=C)C2 1797940923 GFWPSPDKPROFRA-JBXGNFEISA-N 393.484 -0.160 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccncc1=O 1800194189 RHKQTOHGRYYYCP-ZXFNITATSA-N 390.440 -0.576 30 20 GBED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801988841 OZYZYWQSJSPGAT-LXTVHRRPSA-N 394.380 -0.793 30 20 GBED COCCOCCOCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1802086734 MUQZEWHKUXZSDB-MUJYYYPQSA-N 396.440 -0.218 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1 1802917616 WRJCLFWKOXABTN-GJZGRUSLSA-N 389.456 -0.320 30 20 GBED N=C1NCCN1CC(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1807119148 PRBDYPFCWKTVJQ-KSSFIOAISA-N 398.423 -0.985 30 20 GBED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cn1 1834524257 HJYQFDDLVKGWHP-QGZVFWFLSA-N 375.385 -0.531 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1835413611 IFLSHDNOEIZZQH-FQEVSTJZSA-N 391.468 -0.131 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838806117 XIDQVANGKKNPCB-ZBEGNZNMSA-N 385.442 -0.445 30 20 GBED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)CN)C4)C3)c2c1 1839487760 GRDWOWPPSNMAJT-IBGZPJMESA-N 398.423 -0.537 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1840160048 VUULQCAZPIWCEZ-KSSFIOAISA-N 395.481 -0.377 30 20 GBED CC(C)[C@H](S)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843233817 FZZMPJNEWLYOCF-LBPRGKRZSA-N 391.457 -0.416 30 20 GBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)CNC(=O)c1cccs1)C2 1846195043 VKMGYKQUFHROLI-UHFFFAOYSA-N 375.406 -0.231 30 20 GBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1nc(C#N)c(C#N)[nH]1 266629993 WUHISRWGUNAFSE-MRVPVSSYSA-N 376.402 -0.191 30 20 GBED COC(=O)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC 268741575 QDTUZDSZORWGBS-ZWNOBZJWSA-N 397.409 -0.554 30 20 GBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 270751148 UCMVMPZWDHQPIY-GDBMZVCRSA-N 390.465 -0.101 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)OC)c1 275683891 XCRNXOKUKASMSK-LSDHHAIUSA-N 380.422 -0.263 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCCCN1CCC[C@@H]1C(N)=O)c1cc[nH]n1 278042088 SFNRKUJLZSKGHR-ZGIZLIOWSA-N 394.432 -0.851 30 20 GBED CCCn1c(=O)/c(=C\c2ccnn2C)s/c1=C(/C#N)C(=O)N1CCOCC1 298319936 SKUSILPZARGBKQ-IUOKTZCASA-N 387.465 -0.585 30 20 GBED CCN(C)C(=O)C/N=C(/O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 331059402 MNKCBMXBAXTUKC-UHFFFAOYSA-N 386.478 -0.445 30 20 GBED CCN(C1COC1)S(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 349472498 GHXHPFGWOBFRQK-UHFFFAOYSA-N 391.475 -0.526 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](N2CC=CC2)C1 349481002 YOZWLRVBFKHASM-GJZGRUSLSA-N 390.531 -0.174 30 20 GBED N#CC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc(C3CC3)o2)C1 349499707 KHCRBUYPYWVMBR-UHFFFAOYSA-N 375.432 -0.136 30 20 GBED Cn1nccc1NS(=O)(=O)CCCS(=O)(=O)N1CCN(CC#N)CC1 349518298 HBNLUNKAGCIJAW-UHFFFAOYSA-N 390.491 -0.977 30 20 GBED CN1CCN(S(=O)(=O)CCCCS(=O)(=O)N(C)CC#N)C(C)(C)C1 349607328 ZCCDILJLQPZTNK-UHFFFAOYSA-N 380.536 -0.092 30 20 GBED C=CCCS(=O)(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 408334800 CMNSPVLGYRWJGC-ZIAGYGMSSA-N 381.520 -0.136 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCN([C@@H]4CCNC4)CC3)CC2)nc1 423072539 PQVJKUFCLQSISR-QGZVFWFLSA-N 397.483 -0.892 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCn4ncnc4C3)CC2)cc1 459873025 VGDHZHDLUUELGX-UHFFFAOYSA-N 379.424 -0.164 30 20 GBED C=CCN(CC(=O)NCCCN(C)S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 533524253 NNBNSQSAWYLCMI-ZDUSSCGKSA-N 381.520 -0.941 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1 557730828 FLPGXMNPZCVNAI-OAHLLOKOSA-N 391.516 -0.436 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2C)cc1 573625348 ZZLTWTGEISBKKR-QWRGUYRKSA-N 386.455 -0.614 30 20 GBED C=CCOC[C@@H](NS(=O)(=O)N1CCC[C@H](C(=O)OCC)C1)C(=O)OC 580685593 DVOZFWGGDDUHKU-QWHCGFSZSA-N 378.447 -0.160 30 20 GBED C[C@@H](N)[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCO1 591577160 RYLYERNUIYOMLK-CXAGYDPISA-N 389.431 -0.079 30 20 GBED C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN(C)C 594359899 QTDQFNQVVCPZFC-GFCCVEGCSA-N 381.458 -0.981 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1 594626708 ANNWDQCLCFASBC-LBPRGKRZSA-N 384.439 -0.208 30 20 GBED COc1cc(NC(=O)C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)c(F)cc1C#N 599975208 QIDXHVBUTIQMPS-SNVBAGLBSA-N 384.389 -0.076 30 20 GBED COC1(CO)CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 618551345 WYNOPDWCVKKXMI-UHFFFAOYSA-N 377.445 -0.023 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 748550012 DNPNMLOQVARLMQ-UHFFFAOYSA-N 388.409 -0.233 30 20 GBED C#CCOCCNC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 752740455 IZKOTOXFWOEKHN-UHFFFAOYSA-N 387.396 -0.049 30 20 GBED C=CCS(=O)(=O)CCNS(=O)(=O)c1c(C)nn(CCN(C)C)c1C 795159296 HSXYTSVLNWZCNV-UHFFFAOYSA-N 378.520 -0.059 30 20 GBED Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CNC[C@H]2C#N)CC1 834510552 CKPPRVOMWMSJHH-KGLIPLIRSA-N 381.458 -0.080 30 20 GBED C#CCNC(=O)CN1CCN(Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 844294281 UNFPXIYXPWSNIW-UHFFFAOYSA-N 384.889 -0.146 30 20 GBED C#CC[C@H](CO)NC(=O)CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 857262929 LRENGQFKDKYWMV-OAHLLOKOSA-N 395.481 -0.053 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CSCCS2)CC1 893554509 WMSQZSHVIKJMJH-LBPRGKRZSA-N 378.545 -0.370 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(=O)c(OC)c[nH]2)C1 968862921 OOIYKRCPOYCPDW-DWZYQQQCSA-N 377.397 -0.724 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)[C@@H]2C1 974702028 JWMGXUMSPISEJE-SYQHCUMBSA-N 391.428 -0.270 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 982154752 UIXQDHZUTHNWSB-DGAVXFQQSA-N 378.429 -0.470 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2C(=O)CN(C)C2=O)[C@@H]1CC 985521085 GEMYCWCABXANCA-BARDWOONSA-N 392.456 -0.033 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cc(CC)nn2C)C1 1025052388 XBBHKYDXZZNRHL-VQHPVUNQSA-N 376.457 -0.196 30 20 GBED C[C@H](NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CSCC#N)C(=O)N(C)C 1108956443 TWGCPLIYKPKHFP-CRWXNKLISA-N 381.502 -0.442 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)NCCS(=O)(=O)C2CC2)CC1 1118653331 BXPOVXSFBOHZAK-UHFFFAOYSA-N 396.494 -0.038 30 20 GBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)[C@@H]2C1 1221644346 DQTDKWGGCFFHRW-GBOPCIDUSA-N 389.374 -0.385 30 20 GBED CC(C)N1CCN(C2CCN(C(=O)C(=O)N3CC[C@@](O)(CC#N)C3)CC2)CC1 1261486345 WHINRBQVYFKETQ-FQEVSTJZSA-N 391.516 -0.120 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(C(=O)N(C)C(C)C)CC1 1324414843 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396.473 -0.079 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1573286038 RZSPHERWAAVMCL-ZNMIVQPWSA-N 395.471 -0.127 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O 1573286516 CXYPNXYAPRIBEN-IUIKQTSFSA-N 388.403 -0.295 30 20 GBED C#C[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C(=O)OC 1588330971 MROFQXZOZZDDCK-NSHDSACASA-N 377.382 -0.324 30 20 GBED C#CC[C@@H](COC)NC(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1588332335 YZZKJUAXEDPZNE-AWEZNQCLSA-N 398.427 -0.935 30 20 GBED C#CC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)O 1588405325 GBHJZLZMYDKBHE-RQJABVFESA-N 384.454 -0.311 30 20 GBED C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1CC(=O)NC1(C#N)CCC1 1603945081 RVDHUDLUGKHFDM-LBPRGKRZSA-N 382.432 -0.270 30 20 GBED CCOC(=O)N1CCC(NC(=O)Cn2c(=O)c(C#N)c(C)n(C)c2=O)CC1 1614781370 UFZWZQLESAWCIL-UHFFFAOYSA-N 377.401 -0.536 30 20 GBED CN(C[C@H](O)CNC(=O)c1c[nH]c(C#N)c1)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1756673604 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CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792631829 AJGJUXJNTONAON-FQUUOJAGSA-N 379.461 -0.167 30 20 GBED COC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795278105 NAJUPWNKLQJTMW-HGKCTWBKSA-N 385.420 -0.016 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)CCC 1797926358 ZKDTWPGWVLVQNQ-FDPKGLCPSA-N 393.484 -0.081 30 20 GBED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC[C@@H](N)C(N)=O)C3)c1 1798859411 RCRRNVHYFSLVEO-KYHPRHEASA-N 399.451 -0.646 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCNC(=O)C1)C2 1799396486 UWKAJBVRTJCJKD-LBKYZSNHSA-N 394.472 -0.097 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCNC(=O)C1 1801067195 QXPRNEUJCQWFJW-WVCIDPQESA-N 377.441 -0.860 30 20 GBED C[C@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)CN)C3)c1 1801760082 BCJHEZUPWJMIJX-UWLPGLTFSA-N 385.468 -0.197 30 20 GBED N#CCC(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1806280120 HKOJHMXPWFKBIN-WOSRLPQWSA-N 384.396 -0.401 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCNC(=O)C1)CC2 1825674766 OSOJLFNIYVORNF-UWVGGRQHSA-N 390.421 -0.331 30 20 GBED CC(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1830870962 YRJLSLVTIRTXQS-LPHOPBHVSA-N 390.440 -0.027 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1831420387 XXHXUVDMJPXTGA-KHYOSLBOSA-N 397.472 -0.455 30 20 GBED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)CN3CCCC3)CC2)CC1 1833102785 HTBOXMIJZARBFV-UHFFFAOYSA-N 390.484 -0.258 30 20 GBED Cn1ncnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1833844448 VSZKEXHGLCWOMS-GOSISDBHSA-N 399.411 -0.601 30 20 GBED CCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1834985709 XPZGILQMOGPHAA-FUNKKEAFSA-N 396.488 -0.049 30 20 GBED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835640152 LSAMGQCPQAJZIA-DNVCBOLYSA-N 393.488 -0.505 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836141846 ASKCKMVMMPPHOB-GDBMZVCRSA-N 398.489 -0.916 30 20 GBED COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)[C@@H](N)CCC(N)=O)C2)c1 1842880599 FWZBTYJMAYOQAF-INIZCTEOSA-N 399.451 -0.023 30 20 GBED O=C(C#Cc1ccccc1)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846033367 UDLBUWSUDLIXGU-UHFFFAOYSA-N 385.464 -0.472 30 20 GBED N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)n1 14144191 IYDIGOHIDCBVJZ-UHFFFAOYSA-N 378.389 -0.178 30 20 GBED C=CC/N=C(\NCC(=O)N(C)C)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 262354027 ZIZXSVGLDUTVIF-AWEZNQCLSA-N 385.476 -0.145 30 20 GBED Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1S(=O)(=O)N(C)C 264510292 ZPBGXLVFEDLAGR-ZDUSSCGKSA-N 380.426 -0.065 30 20 GBED Cn1c(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c(C#N)c(=O)n(C)c1=O 273197284 NQIOYHMDHFDSQW-ZDUSSCGKSA-N 395.485 -0.214 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N(C)[C@@H](C)CS(=O)(=O)CC)c1cc[nH]n1 276674440 ZQJMVAXBXVECJQ-KEVMXDQOSA-N 388.446 -0.025 30 20 GBED C#CCNc1nc(N2CCC[C@@H](C(N)=O)C2)nc(N2CCC[C@@H](C(N)=O)C2)n1 287001352 OYQUFIGXRHZPHT-CHWSQXEVSA-N 386.460 -0.680 30 20 GBED C#CCOc1ccc(CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 297195662 YBLXTADBKGPRHQ-UHFFFAOYSA-N 381.392 -0.238 30 20 GBED CN(CCN1CCOCC1)C(=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 297908863 YTANYJQJQLWFKN-MRXNPFEDSA-N 387.440 -0.276 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[S@](=O)[C@H](C)[C@H]1C 349479999 MDQOCRLUZZXYFN-VJBOLBCHSA-N 399.560 -0.277 30 20 GBED C#CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 361302618 ANJPCZSASCSYTB-QGZVFWFLSA-N 390.484 -0.845 30 20 GBED C[C@H](O)CN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@H](C)CO 372737237 IFUOVQPBRNBCCY-NEPJUHHUSA-N 389.387 0.412 30 20 GBED CCC[C@@H](O)[C@@H](CO)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 411773913 ALRLEOMEGXRROM-UKRRQHHQSA-N 389.387 0.460 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CNCCO3)CC2)cc1 418770102 QMOZGGVHZATVLL-OAHLLOKOSA-N 393.469 -0.437 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)NC[C@@H]2CNCCCO2)CC1 420214810 KNARQOXWJMYVTN-AWEZNQCLSA-N 389.431 -0.159 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@H]1CC(N)=O 457063032 QHFLGLUCKJTEJY-WCQYABFASA-N 380.426 -0.672 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)c2cncc(NS(C)(=O)=O)c2)CC1 502259254 UTZHMBYCSODZEH-UHFFFAOYSA-N 381.458 -0.487 30 20 GBED Cn1c(=O)c2c(ncn2CCC(=O)NC[C@H]2CCCN(CC#N)C2)n(C)c1=O 531358697 OXSTYAGCFGNYMS-CYBMUJFWSA-N 387.444 -0.824 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 573579103 OHUXGSUPJQPMRT-HIFRSBDPSA-N 378.454 -0.465 30 20 GBED CCCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C)c1=O 596167031 CAVMRYZYCWSUPI-UHFFFAOYSA-N 387.465 -0.585 30 20 GBED CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)c1 619730991 QWXQKYAJVPBEPX-QGZVFWFLSA-N 375.360 -0.435 30 20 GBED C=CCOc1ccccc1CNC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 672579884 KEBUVAQRQBWYDW-UHFFFAOYSA-N 381.454 -0.125 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccc(C(=O)OC)cc2)CC1 728589559 HVQGWYHKSBJQBX-UHFFFAOYSA-N 393.465 -0.330 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(-n3nnnc3C)c2)CC1 747993146 AKSHEUZBFJPQHH-UHFFFAOYSA-N 395.423 -0.103 30 20 GBED COc1ccc2c(c1)OCC2=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771892283 PBVXNYSEUHPXSQ-UHFFFAOYSA-N 380.382 -0.832 30 20 GBED COc1ccc2c(c1)C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CC2 771892912 WBMBGXHVPWKXQA-UHFFFAOYSA-N 378.410 -0.279 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(c2ncccn2)CC1 787757342 DEKFSOIHZDIZJT-UHFFFAOYSA-N 380.412 -0.380 30 20 GBED COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C2 820058293 FTLRRELCONVLEA-DGAVXFQQSA-N 395.437 -0.405 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCCN3CCNCC3)CC2)cc1 884676723 VSIZXJZZQFKJBL-UHFFFAOYSA-N 384.484 -0.382 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)C[C@H]1OC 946822039 AIGJQIDBUPYUQM-LVQVYYBASA-N 388.424 -0.273 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3OCC[C@H]3CC)C[C@@H]2O)CC1 966007429 UVDNZLRNTYIYHQ-BGTYHANMSA-N 377.485 -0.165 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@H]21 975259898 ALJNEBHHIMKQHP-SYQHCUMBSA-N 385.424 -0.161 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)C[C@H]1O 1025710500 SBGSDSRPSIABIU-NGFQHRJXSA-N 376.413 -0.844 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c(C)c(C)nn(C)c2=O)C[C@H]1O 1025711987 CPDFINRBGTUDQP-TUVASFSCSA-N 390.440 -0.710 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1043257735 WOQOQNYVAUEOBH-LVQVYYBASA-N 381.473 -0.624 30 20 GBED Cc1cc(C#N)nc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 1043791135 OAKUOADNTBIGOC-BYNSBNAKSA-N 386.412 -0.894 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[nH]2)C[C@H]1OC 1082216789 CJSJQGBCBRDRFS-NHIYQJMISA-N 379.461 -0.205 30 20 GBED CN(CCOCCN)C(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1118958195 BOFLWMVIVPJAPJ-UHFFFAOYSA-N 377.420 -0.220 30 20 GBED C=CCNC(=O)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2CCO[C@H]2C(=C)C)C1 1129312301 AKPLSAPWQINFOS-DFGXFYAUSA-N 388.472 -0.097 30 20 GBED C=C(C)CNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)n2)O1 1130809060 FMXFZCIRKHMJFF-IGQOVBAYSA-N 392.460 -0.160 30 20 GBED C#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@]23COC[C@@H]2C3)CC1 1131502345 AYUKGNUETUTXAN-WQDJSCAQSA-N 375.469 -0.242 30 20 GBED COc1ccccc1N1CC[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C1=O 1150735209 WQVDVQQAUZYXAZ-GFCCVEGCSA-N 383.364 -0.249 30 20 GBED N#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)[C@@H]2C1 1188337204 WMBINFVACPOKDF-UNJBNNCHSA-N 390.362 -0.495 30 20 GBED Cn1cc(Br)cc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)c1=O 1261461232 FCNSQLCOSDCYAV-AWEZNQCLSA-N 383.202 -0.037 30 20 GBED O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCS(=O)(=O)NCC1CCC1 1318842774 LLDSSNRMWOOIRD-FOCLMDBBSA-N 384.458 -0.261 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 1330198330 WRFAOZOGKJONMU-IRXDYDNUSA-N 380.489 -0.946 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(N3CCN(C)CC3)C2)cc1 1339547826 GUPVTZVMJAZETA-UHFFFAOYSA-N 376.482 -0.330 30 20 GBED C=C(Br)CN1C[C@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573291981 MKBDZIPAQPPSBN-MNOVXSKESA-N 382.222 -0.122 30 20 GBED CC(C)(CNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1)CS(N)(=O)=O 1573900818 IYAATBBAQOAADG-CYBMUJFWSA-N 391.457 -0.020 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588356714 FMUVJEPROPBKSE-NEPJUHHUSA-N 387.400 -0.810 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[nH]n4)n3)C[C@H]2O)nc1 1588368166 QWNSIVPHQXQPEL-SWLSCSKDSA-N 391.395 -0.597 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2O)nn1 1588621055 TUINFWKMVJJKJW-IUODEOHRSA-N 396.415 -0.591 30 20 GBED C=CCn1cc(C(=O)N2CCCN(c3cnc(-c4nn[nH]n4)cn3)CC2)nn1 1588711015 HPBQXXFHPVWJQC-UHFFFAOYSA-N 381.404 -0.213 30 20 GBED N#CCNC(=O)CNC[C@@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CCCC1 1592678304 UFLXIPJFESKNRV-CQSZACIVSA-N 385.432 -0.287 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](C(=O)O)O[C@H](C)C1 1593334757 ZGTCVADLPIAZQN-SUNKGSAMSA-N 381.410 -0.074 30 20 GBED C#C[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 1602690524 FBDFAFZGKNSJJS-HNNXBMFYSA-N 394.439 -0.075 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O 1602721245 BPMBOLBGHHZEHH-SQNIBIBYSA-N 395.467 -0.374 30 20 GBED C=CCO[C@@H]1CCN(C(=O)C(=O)NCCNc2ncccc2-c2nn[nH]n2)C1 1602866860 OSDGPCNBILXPBK-GFCCVEGCSA-N 386.416 -0.407 30 20 GBED COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1ccc(F)cc1C#N 1671975868 SQOFVXWVQZDHCE-CYBMUJFWSA-N 390.414 -0.201 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)CC(N)=O)CC1 1755905303 VZUZJLBJTFQNPL-BSXFFOKHSA-N 379.457 -0.035 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781817702 ICJOPECSBHKNBG-GOSISDBHSA-N 390.348 -0.665 30 20 GBED NC(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1783149292 WDZVTFGMGPWTPB-SVYXSEEQSA-N 376.413 -0.206 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3CN1)CCO2 1783562747 QUPKVAIHTRSEIE-UWJYYQICSA-N 397.431 -0.381 30 20 GBED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1783679744 MKHCJVADPSFKBB-AVGNSLFASA-N 391.428 -0.932 30 20 GBED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1784533766 MRQXNEPCLHYAPP-PWNZVWSESA-N 392.543 -0.035 30 20 GBED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(=O)(=O)N3CCCC3)C[C@@H]21 1786366516 YOUIRIFBRYYOOI-KKUMJFAQSA-N 398.485 -0.695 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCC(=O)N4)[C@H]3C2)c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c2cnc(O)nc2O)CCC1 1796350101 PMPRUUFGNYDCHG-PTEHBNRSSA-N 387.396 -0.215 30 20 GBED C[C@H](Oc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1801369577 ZGMJNKUKQFMRQZ-FLTUCWPJSA-N 387.392 -0.474 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCC(=O)NC1)CC2 1825660900 XETQSDVNPJOVTR-NXEZZACHSA-N 390.421 -0.331 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncnc3)C2)C1 1831390903 ADCJNXOUFGRBTA-HNAYVOBHSA-N 388.424 -0.415 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)c1 1838736110 JXZLCNCLHSEYIW-GOSISDBHSA-N 399.411 -0.752 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1839076658 MBVXNTRECTVAGR-RLFYNMQTSA-N 399.513 -0.915 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839105180 TXYBBADPWRSFLF-XLIONFOSSA-N 394.516 -0.345 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(OC)cc3F)C2)C1 1839807398 YEOLYDDBMKQWSX-GOSISDBHSA-N 377.372 -0.068 30 20 GBED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)C1 1839866564 FEMOTYOJJFKTDE-BEFAXECRSA-N 377.441 -0.455 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)CCn1ccnn1)CCO2 1840445647 FOJMZHBPXKVGBN-LJQANCHMSA-N 387.440 -0.462 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1840480255 PIHSEDYVUPATQM-MPGHIAIKSA-N 392.460 -0.097 30 20 GBED CS(=O)(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812772 KUCWPCOGJQNADG-QGZVFWFLSA-N 399.469 -0.819 30 20 GBED N#CC1(C(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)CCC1 1846975344 GSHUCRKMZKGWOS-UHFFFAOYSA-N 381.396 -0.072 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 8633089 ZZVFJCOTCWRICS-UHFFFAOYSA-N 390.308 -0.254 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCN2CCCS2(=O)=O)cc1 116192837 MHTZHBNBGCLOGP-UHFFFAOYSA-N 385.467 -0.637 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCCCN1CCN(CC)CC1)c1cc[nH]n1 276520577 COJRWDADHMBBRD-OQKWZONESA-N 394.476 -0.163 30 20 GBED Cc1oc(C#N)cc1C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 280578809 MOLCDPCIFHDUKW-UHFFFAOYSA-N 381.458 -0.290 30 20 GBED C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 297869684 UGBSIJHWWTXVEB-CWRNSKLLSA-N 388.424 -0.069 30 20 GBED C[C@@H](C/N=C(/O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCCCC1=O 330087122 MXUGHGBDWSQXNA-NSHDSACASA-N 376.417 -0.209 30 20 GBED C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC#N 349472404 PTVXUNPYLWTCCD-LLVKDONJSA-N 386.455 -0.660 30 20 GBED CCN(C(=O)[C@@H](C)n1cnc(C#N)n1)C1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)C1 410014212 INQKKYFLZFDJDZ-VXGBXAGGSA-N 396.415 -0.506 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(c3nccnc3C)CC2)C1=O 410884735 SWQUAOSFDDVASE-HNNXBMFYSA-N 386.456 -0.321 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)C1=O 412600613 JEFXQGXABFMMKV-LJQANCHMSA-N 384.392 -0.381 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@H]4[C@@H](N)CCC[C@H]4C3)CC2)c1C#N 423450085 SHJOEQINAXLFDL-UAGQMJEPSA-N 399.499 -0.165 30 20 GBED C=CCn1cc(CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)nn1 425797605 WPRZVLXDVYBQHT-UHFFFAOYSA-N 397.439 -0.349 30 20 GBED CCn1cc([C@@H]2CS(=O)(=O)CCN2S(=O)(=O)N(C)CCC#N)cn1 481226478 CAYNUIJPGBLVJO-ZDUSSCGKSA-N 375.476 -0.235 30 20 GBED Cn1c(NCCCN2CCN(c3ccncc3)CC2)c(C#N)c(=O)n(C)c1=O 498698538 XZHJMDWRNYNVMB-UHFFFAOYSA-N 383.456 -0.025 30 20 GBED CCS(=O)(=O)NCCNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 521298463 YOPPVVFKVCXQLX-UHFFFAOYSA-N 388.471 -0.534 30 20 GBED COC(=O)c1cccc(CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1C#N 526965376 YYCFUBJMTVFZOU-UHFFFAOYSA-N 398.423 -0.193 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 543273051 RHXNMDYJFMLTFX-IUODEOHRSA-N 390.396 -0.329 30 20 GBED C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOCC1 555005408 NMUOGGAMDKKVRS-LBPRGKRZSA-N 380.426 -0.800 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 568306969 JFTFFRLIJAAYGI-PMPSAXMXSA-N 380.489 -0.213 30 20 GBED C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 571779057 FXSQMRCDXMLYPZ-CQSZACIVSA-N 387.448 -0.307 30 20 GBED CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC(=O)NCC#N 574780696 YPTMVYILGUEFNE-ZDUSSCGKSA-N 384.483 -0.157 30 20 GBED COc1ncc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1C(N)=O 575099724 AJWVYQLGAQXNGV-UHFFFAOYSA-N 389.393 -0.022 30 20 GBED CC(C)C[C@@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)C(=O)O 581602839 UYYLIZCTNJNRHD-NSHDSACASA-N 378.433 0.118 30 20 GBED C[C@H]1CN(S(=O)(=O)c2cccc(S(=O)(=O)N(CC#N)CC#N)c2)C[C@H]1O 594631991 VLQJQONYEXXANA-SWLSCSKDSA-N 398.466 -0.274 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1 598769573 FGATUJZLOROVKO-HIFRSBDPSA-N 376.438 -0.036 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 599939317 VNGHBOVDOJQGPO-BPUTZDHNSA-N 392.481 -0.107 30 20 GBED N#CCCN1CCN(C(=O)C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC1 602268168 OMTASXKSKKEDSU-LJQANCHMSA-N 399.495 -0.073 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(OC)nc1 608883908 MTPGKMALHUZYJF-UHFFFAOYSA-N 393.428 -0.053 30 20 GBED N#CCN1CCC(NC(=O)NCCS(=O)(=O)N2CCSCC2)CC1 609338319 YZLCFRSQPOSECG-UHFFFAOYSA-N 375.520 -0.348 30 20 GBED CNC(=O)[C@@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)c2ccccc2O1 609341948 FYCIGYLDFMBDAF-INIZCTEOSA-N 385.424 -0.369 30 20 GBED N#Cc1cccc(CNC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 745482130 NXMGGOQZKQVENY-DTTOXWODSA-N 397.387 -0.120 30 20 GBED C#CCCN1CCN(C(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)CC1 749658650 RCSROIFOIDVMGR-UHFFFAOYSA-N 392.437 -0.591 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)CC1 761032184 GFVCLSHUSNJYRN-GJZGRUSLSA-N 399.517 -0.524 30 20 GBED C#CCn1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)cn1 788219523 XZKIGOFIBSQRRF-LBPRGKRZSA-N 378.458 -0.150 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2CC(=O)O)CC1 817685981 VCMHHFSNPHYFGT-UHFFFAOYSA-N 388.424 -0.301 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccccc1-c1nn[nH]n1 826477733 JYNUBUMKIRUAEJ-FYWRMAATSA-N 389.397 -0.329 30 20 GBED C=CCONC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 835974420 ZRUUXKQQBNVWCQ-OAHLLOKOSA-N 375.381 -0.127 30 20 GBED C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc(OC)ncn1 848961267 SKWALOSZMWKBQB-NSHDSACASA-N 376.460 -0.100 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2C)CC1 872515205 IMCBOFPHYSFKND-UHFFFAOYSA-N 375.447 -0.092 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nnnc2C(C)C)C[C@H]1OC 946819702 FZRLEBDJLRDREM-APIJFGDWSA-N 392.460 -0.270 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 972424899 DBCFNRSSVLIFCW-SYQHCUMBSA-N 388.428 -0.973 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C3CC(=O)NC(=O)C3)[C@@H]2C1 974532935 NWCSKGJVSGUWPA-NGFQHRJXSA-N 375.425 -0.310 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 981448251 SMWGQVDQFQNBBG-LOUJCGABSA-N 392.456 -0.080 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 982155768 PXYHIAGVYAGDSF-HZMVEIRTSA-N 392.500 -0.247 30 20 GBED N#Cc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2cnc(C(N)=O)n2)c[nH]1 996125161 AVTNHTOUOCETDP-AGIUHOORSA-N 382.384 -0.861 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@H]2O)nn1 1023922659 YUNIOAWBQZHFOX-DFMBRWPFSA-N 375.429 -0.277 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc3ncccn3n2)C[C@H]1O 1023957916 DXOXMARQOYHSOA-SYQHCUMBSA-N 386.412 -0.593 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(=O)Nc2cc(C)on2)C[C@H]1O 1025711439 SXAYPMYKRVAYMC-LPWJVIDDSA-N 378.385 -0.799 30 20 GBED Cn1c(=O)ccn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nc2)c1=O 1055235098 LBAYFBLTDOGVAG-KBMXLJTQSA-N 380.408 -0.260 30 20 GBED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C2CC3(C2)NC(=O)NC3=O)cn1 1055356856 ZTLAYGLVBLAKSL-GNTREHPQSA-N 381.396 -0.438 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCNC(=O)[C@H]1CCCO1 1110200567 NDSWCBLKDLWWSW-CBBWQLFWSA-N 377.445 -0.967 30 20 GBED CN(CCC#N)C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 1321797370 OJJIDFKWVRHAFR-UHFFFAOYSA-N 394.457 -0.526 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CC[C@](F)(CO)C3)CC2)nc1 1322427142 HDEPESMDBVGMJI-GOSISDBHSA-N 375.404 -0.029 30 20 GBED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(NCCn2cnc(C#N)n2)CC1 1323700653 PJBQPCVCBPRCSH-UHFFFAOYSA-N 378.462 -0.067 30 20 GBED C[C@]1(c2ccc(CNC(=O)C(=O)N3CC[C@](F)(C#N)C3)cc2)NC(=O)NC1=O 1324174066 OAXZORJAVONIAP-MSOLQXFVSA-N 387.371 -0.178 30 20 GBED CCN(CC)C1CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1326596368 JNCRZQWOXSPQCS-MSUUIHNZSA-N 391.472 -0.038 30 20 GBED COCCN1C(=O)c2ccc(C(=O)N3CC[C@@](O)(CC#N)C3)cc2S1(=O)=O 1327169892 ADIOQVIXMYXQCD-KRWDZBQOSA-N 393.421 -0.032 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1 1329099391 OQGRNDSUJXQCGS-UHFFFAOYSA-N 387.436 -0.189 30 20 GBED CC(=O)NCCN(C)C(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1332356605 UAGNJMXWRWYDBU-UHFFFAOYSA-N 375.404 -0.060 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)nn1 1349029066 BBOMAEAEPJYQDT-IRXDYDNUSA-N 390.488 -0.036 30 20 GBED CCS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N(C)C[C@@H](C)C#N 1516850693 IGWGZZMXSLSYPL-ZDUSSCGKSA-N 397.505 -0.064 30 20 GBED C#CCN(C(=O)[C@@H](OC)C1CC1)C1CCN(CC(=O)NCc2cnn[nH]2)CC1 1574894604 DCWHYFIHVXETBU-SFHVURJKSA-N 388.472 -0.228 30 20 GBED C=C[C@H](C(=O)N[C@@H]1CN(CC(=O)NCc2cnn[nH]2)C[C@H]1O)c1ccccc1 1575062020 NVJNYZISQUQDBF-GVDBMIGSSA-N 384.440 -0.448 30 20 GBED Cc1cc(N2CC[C@@](O)(CNC(=O)CSCC#N)C2)c(-c2nn[nH]n2)cn1 1580961403 QFVQVSFZMAXJPN-MRXNPFEDSA-N 388.457 -0.116 30 20 GBED N#Cc1cnc(N2C[C@H]3[C@H](CNC(=O)c4cc(-c5nn[nH]n5)c[nH]4)[C@H]3C2)cn1 1581877637 BYPXWSHLQLJHDJ-XYYAHUGASA-N 376.384 -0.031 30 20 GBED C#CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1)C(=O)OC 1588333676 BCRDJEHLVQMPKN-MRVPVSSYSA-N 380.342 -0.382 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@]1(CC(=O)O)CCOC1 1593334293 NHEDQOBESHUDMF-BZNIZROVSA-N 381.410 -0.025 30 20 GBED CC(C)(C(=O)O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1603259888 ONKRXNSUXJJXNG-UHFFFAOYSA-N 394.453 -0.156 30 20 GBED Cc1nc(N2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)ccc1-c1nn[nH]n1 1606058219 VYOIQXPGQKDDOY-KGLIPLIRSA-N 379.384 -0.251 30 20 GBED N#Cc1cn(C2CN(C(=O)COc3ccc(-c4nn[nH]n4)cc3)C2)c(=O)nc1O 1606389682 DJRWMFRPVXWMTB-UHFFFAOYSA-N 394.351 -0.537 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2 1781269811 OURBEIZNPWSYGB-KSSFIOAISA-N 381.429 -0.540 30 20 GBED CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)S)C[C@@H]21 1788565922 RYZDUDVLPLAVHM-QMVSFRDZSA-N 386.518 -0.008 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCO)[C@H]2C1 1789917986 VOCKBNOVGLAFCK-JYJNAYRXSA-N 398.456 -0.516 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)C=C)C2 1793343910 BFMICLVQFNDELN-WVCIDPQESA-N 377.441 -0.695 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)COC 1793434906 BDLOUXKYSQLXKT-NZHKVURLSA-N 379.457 -0.283 30 20 GBED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC)C(=O)O)C(F)(F)F 1795647477 OYZYRPYJQJKMSS-NOHGZBONSA-N 393.362 -0.243 30 20 GBED C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1800200091 AKPWISJARUWWHZ-ZJOBFFGXSA-N 385.424 -0.297 30 20 GBED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831213199 LTDWHJRGXAUITC-DUIUGDAFSA-N 390.436 -0.025 30 20 GBED C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1831601907 IACAGUANFPQHBM-UGSOOPFHSA-N 378.429 -0.742 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835426872 LFFIDINLPAVYMO-GUYCJALGSA-N 387.502 -0.515 30 20 GBED Cc1cnoc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1838400900 WCGFBHAVFWDAQR-QGZVFWFLSA-N 377.353 -0.859 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1839158462 KIKSLEVMEXLFNJ-GRDNDAEWSA-N 387.502 -0.468 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839862010 QVLNDNDLTLRDFD-NVXWUHKLSA-N 387.502 -0.337 30 20 GBED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)CN2CC(=O)NC2=O)C3)cc1 1844927749 WWKSKDZLYOFBIF-UHFFFAOYSA-N 381.392 -0.073 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CCN(C)C)CC2)cc1 193158951 JSWYEWUIMMIKPH-UHFFFAOYSA-N 378.498 -0.083 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@@H]2C(=O)NCC(C)C)C1=O 264163082 IOMJAXBXSAABNA-LLVKDONJSA-N 382.442 -0.363 30 20 GBED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1F 290229970 KTTDHDHOWXATOK-UHFFFAOYSA-N 387.371 -0.415 30 20 GBED C#CC[C@H](NC(=O)CNS(=O)(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 291093906 QVSFUKDPPKVTIB-CABCVRRESA-N 384.479 -0.026 30 20 GBED CN(CCCNC(=O)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1)S(C)(=O)=O 292055706 BQKZITOEAILVKP-OAHLLOKOSA-N 395.485 -0.196 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC)CNS(C)(=O)=O)c1 295472247 AFJSWSQFQRRHCV-CYBMUJFWSA-N 387.483 -0.344 30 20 GBED CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1nc(SC)n[nH]1 349464829 WXMQXYFVBYMXGR-UHFFFAOYSA-N 381.505 -0.057 30 20 GBED CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(=O)N[C@H](C)C1 349501804 NLYUCPCXXGCTKC-NEPJUHHUSA-N 380.492 -0.910 30 20 GBED N#CC1(NS(=O)(=O)CCCCS(=O)(=O)N2CCC[C@H](O)CC2)CC1 349601690 OYTBMCXTLHETPF-ZDUSSCGKSA-N 379.504 -0.081 30 20 GBED CN(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)N1CCO[C@H](C#N)C1 409492917 GRTYVKVDSRXHDT-GFCCVEGCSA-N 378.410 -0.316 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CCN1Cc1ccccc1 411011103 LAQQQUMKYCPAQG-KZNAEPCWSA-N 395.463 -0.040 30 20 GBED C[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cccc(S(=O)(=O)N(CC#N)CC#N)c1 563429783 CIRODSONLTUDPT-QWHCGFSZSA-N 398.466 -0.132 30 20 GBED C=CCNC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 583510667 YXMYBKYZIPCBFP-UHFFFAOYSA-N 398.466 -0.398 30 20 GBED CC(=O)NC[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 584500513 LBDPQJPHJPGJKG-CQSZACIVSA-N 380.426 -0.800 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCOC[C@H]3CCOC3)CC2)c1 588108410 LTERVIDCHBGAPX-INIZCTEOSA-N 387.440 -0.229 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)CCO1 595409709 ZFZSEVQCAUZRKX-JTQLQIEISA-N 378.407 -0.968 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2C[C@H]3CC[C@@H](O)C[C@H]3C2)CC1 595966381 ZACAUNUNWSJZED-HZSPNIEDSA-N 391.515 -0.225 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)S(=O)(=O)c2ccc(F)cc2)CC1 728531830 RSWOUGPQKLAXKY-AWEZNQCLSA-N 395.456 -0.119 30 20 GBED COC(=O)[C@@](C)(O)CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 777193116 FTFWTGSEBNXZEH-INIZCTEOSA-N 383.426 -0.455 30 20 GBED CCO[C@H]1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1SC 807979867 YPMMDIYDXGZJLY-ONGXEEELSA-N 376.460 -0.741 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3nc(O)oc3c2)CC1 841491642 PUXLXJQQRAYNIN-UHFFFAOYSA-N 392.437 -0.021 30 20 GBED COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H]3CCCN(O)C3=O)cc2)[nH]1 848138911 VFVCJLONMJVAAA-CQSZACIVSA-N 388.380 -0.009 30 20 GBED C/N=C(/NCCN1CCOCC1)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 849051036 STRKGVHKLHWOCF-GJZGRUSLSA-N 375.539 -0.408 30 20 GBED N#Cc1cn(C2CN(C(=O)NCCS(=O)(=O)CC3CC3)C2)c(=O)nc1O 858303329 WCYCFKNTUJFMMS-UHFFFAOYSA-N 381.414 -0.788 30 20 GBED C[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2c(N)nc(C#N)c2C#N)C1=O 914684621 GTTVTGIOCRMEQT-QGZVFWFLSA-N 378.352 -0.293 30 20 GBED C=CCn1cc(C(=O)NC[C@H]2COCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)nn1 964198280 YVTHIHRGLIGCKU-UIWYYIFQSA-N 387.440 -0.155 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1n1ccnn1 1070051864 UNGQEABMDRCRRH-IVSAIRAKSA-N 376.461 -0.311 30 20 GBED CS(=O)(=O)C1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CCCC1 1111141391 WLQFHQYGSMNXKU-MCIONIFRSA-N 382.486 -0.295 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)CCO1 1118504473 JZBKJMDPGOYKNK-ZDUSSCGKSA-N 392.437 -0.331 30 20 GBED C#CCNC(=O)CN1CC=C(CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1160748433 GKLKCRFSMMOJSW-JENIJYKNSA-N 375.469 -0.074 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCCNS(=O)(=O)CC)C[C@H]1O 1196811959 HBWGRCLZZHIKTQ-JJXSEGSLSA-N 389.518 -0.542 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCCCOC)C[C@H]1OC 1213557687 WYSUSVATSMTWJT-LHHMISFZSA-N 383.489 -0.064 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(CC(N)=O)C2)ccc1F 1251811227 ZRFLYVYXGMYIGQ-ZDUSSCGKSA-N 398.460 -0.031 30 20 GBED C#CCOCCNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 1322609920 XCQBYGAVYAJSRM-UHFFFAOYSA-N 386.452 -0.393 30 20 GBED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2)CC1 1322788955 DOHCBEFUCDEUHQ-CQSZACIVSA-N 383.452 -0.014 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 1330198326 WRFAOZOGKJONMU-DLBZAZTESA-N 380.489 -0.946 30 20 GBED C=CCn1c(C)nnc1S(=O)(=O)[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 1340091167 SYHWDBYNYLWOKJ-PWSUYJOCSA-N 390.487 -0.420 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCN(C(=O)OCC)C2)CC1 1343366496 LPNKOGFEKHCNLL-CQSZACIVSA-N 378.429 -0.679 30 20 GBED C[C@@H](CNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)CN1CCCCC1 1346278138 TXPPHFRDLIHNPK-HYEKCJMVSA-N 391.472 -0.133 30 20 GBED C=CCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1[C@]1(O)CCOC1 1352141903 XFLFMPUMPYOURN-IBGZPJMESA-N 390.488 -0.184 30 20 GBED Cn1c(=O)[nH]c(N2CCc3c(cccc3NS(C)(=O)=O)C2)c(C#N)c1=O 1458124811 YJWRFYRCVLDUAM-UHFFFAOYSA-N 375.410 -0.121 30 20 GBED C#CCNC(=O)CN1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588354556 PSVXPALMBQGFPS-GJZGRUSLSA-N 382.428 -0.377 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C[C@@H]2O)cn1 1588368714 XGYDRFPEQMDAPH-HIFRSBDPSA-N 391.395 -0.597 30 20 GBED N#CCNC(=O)CNC[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CCCC1 1592677966 MMYPPZOTKCQWCO-CQSZACIVSA-N 385.432 -0.287 30 20 GBED C=CCOCC(=O)NC[C@H]1COCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1602868357 NMOVCNOZMXSHPW-LBPRGKRZSA-N 375.389 -0.645 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C(=O)O)s3)CC2)CCO1 1608179745 ODHKSYHZDXDEQN-NSHDSACASA-N 378.410 -0.154 30 20 GBED COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1631729776 LCZYPFBOCIUBCJ-QKCSRTOESA-N 381.410 -0.640 30 20 GBED CNS(=O)(=O)c1cccc2c1CCN(c1[nH]c(=O)n(C)c(=O)c1C#N)C2 1651843169 PPBYBWMTWHCRJZ-UHFFFAOYSA-N 375.410 -0.584 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)CCC1 1779881213 VFKGCKLRXCVDPL-LJQANCHMSA-N 398.423 -0.287 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncnn3C)C[C@@H]21 1784501173 GNGUVXLVKFTSCY-AJNGGQMLSA-N 377.445 -0.001 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)ncn3)C[C@@H]21 1791076693 DKDTUPJBLMMLLQ-GVXVVHGQSA-N 392.799 -0.189 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CS(C)(=O)=O)C2 1792566379 VYEVWQZGJGCSRY-LDPDCKCHSA-N 383.470 -0.472 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)c1ccco1)C2 1793341096 JGAKAZPNSCGOAH-WDTWZTHCSA-N 376.409 -0.059 30 20 GBED CC(C)n1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)n1 1796635354 XELOGLKTRKRVJW-JJLQDPRZSA-N 375.385 -0.850 30 20 GBED COCc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c1 1800778025 SFQQYVQCVYLVSF-FVCICTRLSA-N 375.381 -0.548 30 20 GBED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 1831673347 HVDHZFDYPUTQSG-CABCVRRESA-N 375.425 -0.170 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2 1833885826 XIZYKFBNJPRVMV-GOSISDBHSA-N 375.429 -0.311 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H]4CCC(=O)N4)CCO3)C2)CCC1 1835311943 DUEJBINLJMQBIS-AUUYWEPGSA-N 390.440 -0.585 30 20 GBED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)C(O)O)CC3)CC2)c1 1836167526 CNKHSYJEWCPEIP-UHFFFAOYSA-N 375.429 -0.618 30 20 GBED Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1839717159 VMLYINXMOLUAPZ-SUMWQHHRSA-N 382.486 -0.034 30 20 GBED Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cn1 1840464290 JHQRMEFRHJQCPR-IBGZPJMESA-N 387.440 -0.277 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)c2cc(C)on2)C1 1844308448 UYAZOSHJCFWCEJ-AWEZNQCLSA-N 388.424 -0.045 30 20 GBED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)CN1CCNC1=N)C2 1846978868 BUZWGKLYGHXZKS-UHFFFAOYSA-N 396.451 -0.020 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CSCC2=O)CC1 18038989 KZXCBALDIHEYPV-UHFFFAOYSA-N 394.478 -0.076 30 20 GBED Cn1c(NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c(C#N)c(=O)n(C)c1=O 52407751 XUPHMYBZEPMRMO-UHFFFAOYSA-N 396.407 -0.860 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(CS(N)(=O)=O)CC2)c1 264177459 OZJPSWVVVHTDLI-UHFFFAOYSA-N 399.494 -0.261 30 20 GBED CN1CCN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3)c2)CC1=O 265828917 CNTYCLFRNILBSV-UHFFFAOYSA-N 393.469 -0.130 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Cl)cnc2N)CC1 269779037 OBHRIDFCFBFSBX-UHFFFAOYSA-N 385.877 -0.237 30 20 GBED C#CCNc1nc(NCCNC(=O)C2CC2)nc(NCCNC(=O)C2CC2)n1 286923947 LAHQURPVLQMTAQ-UHFFFAOYSA-N 386.460 -0.207 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)C1=O 297728252 GEWAEKIYVDVGTM-AWEZNQCLSA-N 390.419 -0.490 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(CC(F)(F)F)CC2)C1=O 297787364 JGZRNNUWJMVCPA-GFCCVEGCSA-N 376.379 -0.062 30 20 GBED CN1CCN(C(=O)CC/N=C(/O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 328881761 WTEVRLLCWXRNRW-OAHLLOKOSA-N 381.477 -0.612 30 20 GBED O=C([C@@H]1CC[C@H](C(=O)N2CCOCC2)O1)N1CC[C@H](N/C(O)=N/C2CC2)C1 329515687 OQDZLKFBFRFMDJ-ZNMIVQPWSA-N 380.445 -0.340 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN(C2CCC2)CC1 349503755 KZJZLDXSDRXCGD-UHFFFAOYSA-N 378.520 -0.338 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H](C#N)C2)nn1C 349579548 YJPXLIITUPPKQA-NWDGAFQWSA-N 390.491 -0.133 30 20 GBED COC1CN(S(=O)(=O)CCCCS(=O)(=O)N2CCSC[C@@H]2C#N)C1 349588808 BXGPKXICBYEBAK-LBPRGKRZSA-N 397.544 -0.302 30 20 GBED CN(Cc1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 468548623 PFUUZMKSOMLMKD-UHFFFAOYSA-N 375.410 -0.078 30 20 GBED C[C@@H]1C(=O)NCCCN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N 515671583 ODUGMKFMVTUDKN-LLVKDONJSA-N 380.492 -0.862 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](C(=O)OC)C2CCOCC2)C1=O 518616111 JDYAJMUPRYJFJT-LBPRGKRZSA-N 381.385 -0.705 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](S(N)(=O)=O)C1 534493208 MZTVLTXDWQWQKP-MFKMUULPSA-N 386.455 -0.886 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCc2nnc3n2CCCCC3)C1=O 550209377 RWPHTRSUIOGWSJ-CQSZACIVSA-N 388.472 -0.092 30 20 GBED CN(C)S(=O)(=O)N(C)CC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 593448437 MRMFGCGHDJFHJS-UHFFFAOYSA-N 380.474 -0.224 30 20 GBED COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCC(C)(C)NS(C)(=O)=O 593540793 BSKYZTJQPCDJOZ-UHFFFAOYSA-N 389.455 -0.049 30 20 GBED Cn1c(=O)c2cc(NC(=O)C(=O)NCc3cccc(C#N)c3)cnc2n(C)c1=O 604139295 QRQJBMBHJDRZND-UHFFFAOYSA-N 392.375 -0.241 30 20 GBED COC(=O)CN(CC#N)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 609992242 JDJTWXTWROCYEP-UHFFFAOYSA-N 384.370 -0.212 30 20 GBED CN(C)S(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 610484820 YCPRRBLMDFDDME-UHFFFAOYSA-N 386.499 -0.244 30 20 GBED CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 611365271 YPOCDEATIJYOBB-UHFFFAOYSA-N 389.460 -0.319 30 20 GBED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N2CCC(C(=O)OCC)CC2)CC1 728573452 WOGBUXIVRVLMNI-MRXNPFEDSA-N 392.500 -0.456 30 20 GBED N#Cc1cnn(CCOC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c1N 731771644 BAMHSINZZNUJBK-UHFFFAOYSA-N 395.397 -0.192 30 20 GBED C[C@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(CN2CCO[C@@H](C#N)C2)C1=O 736222618 IWCAWECPHVZVLU-SUMWQHHRSA-N 382.384 -0.184 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](CN3CCCC3)C2)c1=O 739876505 UGEDMKDTMWPGPR-INIZCTEOSA-N 375.473 -0.081 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)Nc2ncn(CC(=O)NC)n2)ccc1F 741995872 ARFUOIUDCSGPSH-UHFFFAOYSA-N 396.404 -0.120 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cn(C)cn1 756464951 PUDDPZJIVWIBED-ABAIWWIYSA-N 385.446 -0.315 30 20 GBED COCCO[C@@H]1COCC[C@@H]1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 777017621 YXRJQKFWFLJBIF-UONOGXRCSA-N 397.453 -0.338 30 20 GBED C#CCC[C@H](O)CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 799074686 BGTASCGZVKDXCI-AWEZNQCLSA-N 379.438 -0.689 30 20 GBED C#CC[C@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC 837938016 CRFWHFRXCMJSBJ-ZDUSSCGKSA-N 383.382 -0.056 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)CCO3)CC1 841481553 VUJXRDSGVKQODB-UHFFFAOYSA-N 391.449 -0.293 30 20 GBED C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)OC 842227190 RZOFISGZSINKFS-AWEZNQCLSA-N 387.392 -0.083 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCC2([S@](C)=O)CCC2)CC1 894587946 JUCIWABGAQTFTO-QHCPKHFHSA-N 376.504 -0.918 30 20 GBED C#Cc1ccccc1CC(=O)N1CCO[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]21 960709737 JKZLZZVREZESIA-VSZNYVQBSA-N 381.432 -0.230 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)CN1CC(=O)NC1=O 977080460 FFYKYVCSTSWECB-SYQHCUMBSA-N 378.429 -0.327 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1044218274 WMSVUHSORSQUEY-LUKYLMHMSA-N 375.469 -0.411 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)Nc2nncs2)C[C@@H]1O 1083470579 AINBTQQVMPHZEM-NDBYEHHHSA-N 381.458 -0.381 30 20 GBED CCN(CCC#N)C(=O)CNCC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C 1104686361 FKWDNNRBVUCOMP-FPCVCCKLSA-N 377.489 -0.056 30 20 GBED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC(O)(CC#N)C2)s1 1116883651 SGZKIRGIKGNMJX-UHFFFAOYSA-N 386.455 -0.851 30 20 GBED C=CCN(CC=C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1194886320 GKJCEZZKUIQNMB-DOEOUOAPSA-N 393.484 -0.600 30 20 GBED CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cn1 1319959350 CFOFUKJLRZEOPX-UHFFFAOYSA-N 396.411 -0.817 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 1321321797 MJVROSFVTADIHJ-AWEZNQCLSA-N 387.440 -0.154 30 20 GBED CN(CCNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C1CCCC1 1323390358 ZWIAOSMQKNAYBE-FOCLMDBBSA-N 377.445 -0.380 30 20 GBED C=CCN1CCC(NC(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)CC1 1324407747 UMHLCFPREMSLKQ-UHFFFAOYSA-N 386.518 -0.411 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2CC(=O)NC)CC1 1325276822 BJOWGQIZILNFSQ-UHFFFAOYSA-N 384.436 -0.098 30 20 GBED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[C@](O)(CC#N)C1 1326358297 IRJGHICAVFDHSS-MRXNPFEDSA-N 382.442 -0.463 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 1327472846 AKEIACQYZCDTNM-FRRDWIJNSA-N 379.417 -0.880 30 20 GBED COC(=O)[C@@H]1CC(=NNC(=S)NCC(N)=O)CN(C(=O)OC(C)(C)C)C1 1328010606 REPNCQRDVJSOAA-SECBINFHSA-N 387.462 -0.278 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1 1328863780 FCIPRHIETTZTEZ-TZMCWYRMSA-N 394.439 -0.218 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CCN1C1CC1 1331882307 YZXRIESEKBASGN-CVEARBPZSA-N 389.456 -0.965 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 1336602426 RSBUZAOLEFVLDU-JYYAWHABSA-N 386.518 -0.795 30 20 GBED CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)NCC(=O)NCC#N 1340976497 LGPHUGXOKLFZRY-UHFFFAOYSA-N 379.847 -0.197 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(CC(=O)N[C@H](C)CC)CC2)nn1 1349044886 FZIKVLYVYNVNDK-CQSZACIVSA-N 391.476 -0.861 30 20 GBED CN1C(=O)CC[C@H](NC(=O)C(=O)N2CCCN(c3ccccc3C#N)CC2)C1=O 1349047985 PENSSARIALVBBB-HNNXBMFYSA-N 397.435 -0.139 30 20 GBED C=CCN(C(=O)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1)[C@@H](C)COC 1350527656 LAFMRVKKVFULMW-ZWKOTPCHSA-N 396.532 -0.051 30 20 GBED C=C(C)Cn1c([C@H]2COCCN2)nnc1N1CCN(CC(=O)N(C)C)CC1 1574844252 LSCHKRLTCUGIEM-OAHLLOKOSA-N 377.493 -0.275 30 20 GBED C=CCCOCC(=O)N[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2F)C[C@H]1O 1588616193 ZQJSSJCEIBWCLO-CHWSQXEVSA-N 377.380 -0.341 30 20 GBED C[C@]1(C#N)CCN(C(=O)C(=O)N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)C1 1590055684 WDZPWPYDRTYWPP-GOSISDBHSA-N 395.427 -0.328 30 20 GBED CS(C)(=O)=NS(=O)(=O)N1CCN(c2ccc(C(=O)O)nc2C#N)CC1 1599780580 GQJOAENOWCAPMI-UHFFFAOYSA-N 387.443 -0.254 30 20 GBED N#CCNC(=O)CNC(=O)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 1609496011 DPFGZLVOZJSUHD-UHFFFAOYSA-N 383.416 -0.272 30 20 GBED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1618794612 OZVVPHMWFHWVAZ-HNNXBMFYSA-N 397.439 -0.096 30 20 GBED C[C@H](CC(=O)N1[C@H](CO)CC[C@H]1CO)/N=C1/NS(=O)(=O)c2ccccc21 1627687488 MDOJTEAYFSFZGT-AGIUHOORSA-N 381.454 -0.152 30 20 GBED C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1741130145 VLHLZEMMOJOHKG-LRDDRELGSA-N 393.473 -0.176 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778445805 PAGKZULQTVEXLK-GOSISDBHSA-N 383.364 -0.739 30 20 GBED COC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1781400539 SJPARKOTKVGHMB-GUYCJALGSA-N 384.433 -0.027 30 20 GBED CC(C)(C)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010186 AVGJJAAFKREBQH-AUUYWEPGSA-N 379.457 -0.024 30 20 GBED C=CC[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1783113593 DDGCYFGDAGXOQG-VQIMIIECSA-N 383.489 -0.685 30 20 GBED C[C@@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1783901708 UVKNQKOBLCDXJC-CRAIPNDOSA-N 396.557 -0.085 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1 1795891357 LDVZZIAVYIAJPS-FQLMCAECSA-N 377.445 -0.559 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCN(C)C1 1799113555 FPAHKNSXPPDSEZ-TXTZMMAHSA-N 377.485 -0.044 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(=O)OCC)CC1 1800363242 WVPRMEBTIFNMQO-JONQDZQNSA-N 392.452 -0.042 30 20 GBED Cc1noc(C)c1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800773327 LERNAZOLJVZZCH-HBCWATKFSA-N 389.408 -0.098 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1831419478 MGVNLKVIYXRPQK-YHRBYZFPSA-N 382.457 -0.195 30 20 GBED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)COCCO)CC2)CC1 1833429057 ZBFWDWGDNUTTDJ-UHFFFAOYSA-N 377.485 -0.020 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835065954 KPTIYGROLOLNOA-YOEHRIQHSA-N 381.521 -0.565 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838339920 CNFJEUMQQSFPHS-CXAGYDPISA-N 381.454 -0.292 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1840172776 IQCUJUASUPTHKZ-KRWDZBQOSA-N 378.385 -0.466 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1 1841961712 XTIZPXIIUICRJM-NWDGAFQWSA-N 379.417 -0.411 30 20 GBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cccc3c2NC(=O)C3=O)C1 1844127470 LFWHGBIOYXLDPW-UHFFFAOYSA-N 381.344 -0.274 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)c1cc(C)on1 1847804978 NRROKLNIPRFXEX-BPUTZDHNSA-N 388.424 -0.047 30 20 GBED CN(CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1 26087399 PILPYWYXBHAEMR-HNNXBMFYSA-N 385.467 -0.128 30 20 GBED C/N=C(/NCC(=O)N1CCCC1)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 156995846 BDRGEEVRXITGBV-INIZCTEOSA-N 378.521 -0.187 30 20 GBED CCN(CC)C(=O)CN1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 267958459 KFPFLRZBEJZGMS-UHFFFAOYSA-N 389.460 -0.252 30 20 GBED CCc1nnc(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c(C#N)c1CC 272336544 WIWKYIRAYAEMFG-JKSUJKDBSA-N 379.486 -0.247 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1=O 281314250 IQNRAPKAYJYLMG-AWEZNQCLSA-N 390.444 -0.008 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CC[S@](=O)C[C@@H]1c1cnn(C)c1 282247458 IUTZCKMYODILGT-SHACYNPGSA-N 389.503 -0.368 30 20 GBED C[C@H]1CC[S@](=O)CCN1S(=O)(=O)CCCS(=O)(=O)N(C)CC#N 349463709 VCXRYYCDGFXOFD-QKVFXAPYSA-N 385.533 -0.666 30 20 GBED CN(c1cnccn1)S(=O)(=O)CCCS(=O)(=O)N1CC[C@](F)(C#N)C1 349489741 GDKPBMCJRBOQKO-ZDUSSCGKSA-N 391.450 -0.100 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCC(=O)NCC3CC3)n2)c(F)c1 371735519 KQTATNREWTWJHP-UHFFFAOYSA-N 384.371 0.464 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)CCO1 436489904 NWGGLRKDONQEES-OAHLLOKOSA-N 380.426 -0.381 30 20 GBED Cc1nn(C)c(N2CCN([C@@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)CC2)c1C#N 472149118 BMMMZRYXOMSMFS-LSDHHAIUSA-N 387.488 -0.165 30 20 GBED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2c(C)cnn2C)c1=O 552006304 MLIKKABUUYAEPI-UHFFFAOYSA-N 375.454 -0.763 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)CC1 571620269 SZDRYBTWTNYJIB-HOTGVXAUSA-N 396.451 -0.129 30 20 GBED COCC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 572057920 CLNMJNIAAJAAOQ-NWDGAFQWSA-N 391.471 -0.447 30 20 GBED CN(C)CCn1cc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cn1 590284944 KLONYLYNSFALGC-UHFFFAOYSA-N 396.455 -0.001 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CCN([C@@H]4CCOC4)CC3)CC2)c1 595127289 JEGFGOMKQSVVRC-QGZVFWFLSA-N 398.467 -0.465 30 20 GBED COc1cc(NC(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)c(F)cc1C#N 599987505 NSIKYDWWOXSFHM-JTQLQIEISA-N 384.389 -0.205 30 20 GBED N#Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c(F)c1 610082912 RAFIHBSVKJWYEQ-NSHDSACASA-N 389.430 -0.331 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCN(Cc3ncon3)C2)C1=O 614664427 UWNONBGLMNZPPZ-LBPRGKRZSA-N 390.400 -0.625 30 20 GBED C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCNC1=O 729687587 TZSWYUPWODKOLI-LLVKDONJSA-N 394.409 -0.024 30 20 GBED C#CCCN1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 732069033 ZBZALQSSMQHCNF-SFHVURJKSA-N 376.501 -0.133 30 20 GBED COC(=O)CN(CC(=O)O)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 737601782 AERXNMYWEBITBP-UHFFFAOYSA-N 397.409 -0.409 30 20 GBED N#CCc1ccc(NC(=O)COC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1 748429635 ZPRQXVLEWXGIDJ-UHFFFAOYSA-N 377.382 -0.222 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCN1C(=O)CCC1=O 767628156 DCVFUPHZFYSZBY-LLVKDONJSA-N 379.394 -0.083 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCC2CN(S(C)(=O)=O)C2)c1 777984660 WKMZLJPBCTWOEC-UHFFFAOYSA-N 385.467 -0.781 30 20 GBED CN1CCC[C@H](N2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)C1 787757464 SXHJHYFQLBGASI-KRWDZBQOSA-N 399.499 -0.280 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1n[nH]c(CC(=O)O)n1 827760714 PORYFMIOLIEJCH-QMMMGPOBSA-N 378.370 -0.391 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 829151770 QOKRPBSTTFYOQK-HIFRSBDPSA-N 375.429 -0.472 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2c(C)nn(COCC)c2C)CC1 831579666 LHZQRVPLGULANP-UHFFFAOYSA-N 397.501 -0.352 30 20 GBED CC1(C)OCC(CO)(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CO1 834478999 GYSDBIUUZZVMCK-UHFFFAOYSA-N 397.453 -0.255 30 20 GBED C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccon2)CC1 848962732 RXSWEGVHCDEDRI-UHFFFAOYSA-N 376.460 -0.613 30 20 GBED C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1nc2n(c1C#N)CCS2 848966882 FVSIHMDMEZRPBY-UHFFFAOYSA-N 389.484 -0.455 30 20 GBED Cc1ccc(C(=O)NN2CCS(=O)(=O)CC2)cc1S(=O)(=O)NCC#N 862736591 RPSFVNIPUSYKBM-UHFFFAOYSA-N 386.455 -0.828 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccn(CC(F)F)n2)CC1 878873310 RPZINFCXXSOQSH-UHFFFAOYSA-N 376.389 -0.235 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CN3C(=O)CN(C)C3=O)C[C@H]21 975261619 KEAUAJKWZZNJDO-TUVASFSCSA-N 390.440 -0.469 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nnn(C(C)(C)C)n2)C[C@H]1O 1023960715 UVHCPMYDRIXPBI-SYQHCUMBSA-N 392.460 -0.289 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCn1c(O)nnc1O 1109470581 CRVOEZXWCGSJBF-AGIUHOORSA-N 378.433 -0.507 30 20 GBED C=CCn1cnnc1S(=O)(=O)[C@@H](C)C(=O)N1CCN(C(=O)OCC)CC1 1118517294 XUGOHTQOLCSXPM-LBPRGKRZSA-N 385.446 -0.073 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 1118563859 WLBHTZKNARMYLM-UONOGXRCSA-N 388.490 -0.966 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H](C)c2nnc3ccccn23)CC1 1323201561 DXQBFWZLFMOTMI-CYBMUJFWSA-N 382.424 -0.106 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1)[C@@H]1CCCO1 1323819826 NRSGOXJALQRDPW-HOTGVXAUSA-N 397.497 -0.300 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 1324403041 IHQXLTDTXRIDDX-UHFFFAOYSA-N 394.496 -0.515 30 20 GBED CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)C(=O)NCC#Cc2ccccc2)C1=O 1327227037 SSPQIEZWEQEWIE-FOIQADDNSA-N 382.420 -0.009 30 20 GBED C=CCn1c(C[C@H](O)C2CC2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 1340186732 XYORGECJKZRXCT-AWEZNQCLSA-N 384.506 -0.294 30 20 GBED C=CCNC(=O)Cn1c([C@H]2COCCN2)nnc1N(C)CCNC(=O)C(C)C 1574936195 HQORAVYNGKTZDP-CQSZACIVSA-N 393.492 -0.550 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@@](C)(CNC(=O)CC(=O)NCc2cnn[nH]2)C1 1575013567 RPMIXVBETYHXEL-UGSOOPFHSA-N 390.444 -0.796 30 20 GBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4cnn[nH]4)cn3)C[C@@H]2O)[nH]1 1577715243 LBZIRQSUIFDCEV-CVEARBPZSA-N 392.379 -0.318 30 20 GBED CCN(CCC#N)C(=O)CN[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1577909065 FBVAUPUOIXYNBD-LBPRGKRZSA-N 385.432 -0.239 30 20 GBED CCN(C1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1)S(C)(=O)=O 1585717661 VSZVAFAJYUQJKJ-UHFFFAOYSA-N 383.430 -0.907 30 20 GBED C=C(C)Cn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1CCC2(COC2)C1 1588436877 VEPMRUVFKAFBPT-UHFFFAOYSA-N 383.420 -0.099 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cccc(-c3nn[nH]n3)c2)C1=O 1588654247 BYJAPSZABWNFLQ-AWEZNQCLSA-N 383.412 -0.272 30 20 GBED C=CCNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1588658620 CQRPMDJKIKEMDN-DGCLKSJQSA-N 388.432 -0.684 30 20 GBED C=CCn1c(-c2ccc(-c3nn[nH]n3)n2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1588695549 FRQZTYHVTYAUIM-LLVKDONJSA-N 395.431 -0.137 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)C1 1592670727 MDGIRXBYGQCERS-QGZVFWFLSA-N 399.390 -0.626 30 20 GBED C#CCN(C(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCS(=O)(=O)C1 1602714228 MZOWWJLGKLCUAL-CYBMUJFWSA-N 388.409 -0.546 30 20 GBED C#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C12CCC2 1602722156 DERNCXWGHCLGPK-UONOGXRCSA-N 382.428 -0.425 30 20 GBED Cn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(O)nc1=O 1621784640 ZNFWYXHYVQSYDO-AWEZNQCLSA-N 389.437 -0.115 30 20 GBED CCN(CCC#N)S(=O)(=O)N1CCO[C@H](CN(CC(=O)O)C(C)=O)C1 1776863614 KHNHBGPWXCGGQY-CYBMUJFWSA-N 376.435 -0.899 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1778980717 ZLFXSMTYTHVVTQ-IFXJQAMLSA-N 390.440 -0.214 30 20 GBED O=C1CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)N1 1779016927 VHOIHRRGZPBTAX-SRKDWSFESA-N 391.472 -0.433 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1779316705 FUNBCLYWBOZARR-VQIMIIECSA-N 379.457 -0.229 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2 1781265479 OLQPUUSNBULHBE-SFHVURJKSA-N 391.428 -0.232 30 20 GBED C=CC[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1783113570 DAOZKNYSSPZTRT-ACJLOTCBSA-N 381.429 -0.429 30 20 GBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCO2 1785420741 GWCVPPYNFNKUMP-YOEHRIQHSA-N 385.486 -0.443 30 20 GBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1785424690 HTVXLQKDMLTBDO-PXNSSMCTSA-N 376.501 -0.134 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC=O)[C@H]2C1 1789881403 OHNPNIWKQYGGIS-OWYFMNJBSA-N 382.461 -0.099 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@H]4C=CS[C@@H]43)[C@H]2C1 1790630360 MPWOCHATGNXCEM-WBIFSWSFSA-N 376.434 -0.071 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncc(Cl)cn3)C[C@@H]21 1791073928 CIRYJLDIIKNVLF-DRZSPHRISA-N 392.799 -0.189 30 20 GBED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)NC(=O)OCC)C[C@@H]21 1791268085 MIYNZMBAUCQDKD-QBYUYEEZSA-N 395.456 -0.166 30 20 GBED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1791268550 GWNVAAGLJUKOHN-VGWMRTNUSA-N 378.473 -0.638 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nccn1 1799411865 YZGQWZGSRJFKSM-HGTKMLMNSA-N 378.433 -0.331 30 20 GBED CSCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831539607 UASNZWWOHNMLBJ-GOSISDBHSA-N 398.481 -0.080 30 20 GBED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)COCCO)CC2)CC1 1838647299 KOTUTKADFSZJBQ-UHFFFAOYSA-N 382.413 -0.918 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1839805575 LVUQFFMDSCNTCY-HXUWFJFHSA-N 382.420 -0.034 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1839840538 HQPDOEKVBLGLGP-QAPCUYQASA-N 377.445 -0.053 30 20 GBED N#Cc1ccc(CC(=O)N2CCCC23CN(C(=O)CC[C@H](N)C(N)=O)C3)cc1 1841099682 SDIREKDODDTFFQ-INIZCTEOSA-N 383.452 -0.103 30 20 GBED O=C(CN(CCO)CCO)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844315375 MLLDHVZHHHWMLP-RGVLZGJSSA-N 392.456 -0.812 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC3(CCCN3C(=O)c3nccnc3C(N)=O)C2)c1 1844596205 SOKXNNCZPPAAJV-UHFFFAOYSA-N 379.380 -0.094 30 20 GBED C/N=C(/NCC(=O)NC(C)C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261788261 QAUADIWTYAHBML-UHFFFAOYSA-N 386.478 -0.778 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 282750331 UQEPIVRMTUSQFM-CQSZACIVSA-N 395.489 -0.559 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NCCn2cc(C(=O)OC)nn2)cc1 284332024 BVZPNNPINMFEPR-UHFFFAOYSA-N 391.409 -0.594 30 20 GBED O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1CC/C(O)=N/CCN1CCCS1(=O)=O 329597484 CMPXTLUBBQFOJU-OXHZDVMGSA-N 385.442 -0.469 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C#N)CC[S@@](=O)C1 349451954 CJXMOVKGARTNBI-QSRBQVKKSA-N 385.533 -0.762 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(O)(CC#N)C1 349463529 ZEOAZTZGFRRAHD-LBPRGKRZSA-N 398.466 -0.132 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 366295211 JHBROSQUDZOTKH-ZWNOBZJWSA-N 391.413 -0.662 30 20 GBED N#CCC1(O)CN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 377093549 RVGYCTSQGOYIKC-NSHDSACASA-N 378.410 -0.826 30 20 GBED COC(=O)Cn1cc(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)nn1 441508882 ACXSXUQYDCXCEP-UHFFFAOYSA-N 384.400 -0.250 30 20 GBED COC(=O)Cn1cc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)nn1 441528889 FMYQCZBVYBDYQP-UHFFFAOYSA-N 384.400 -0.250 30 20 GBED N#Cc1c(Cl)cccc1S(=O)(=O)N1CCN(CCS(N)(=O)=O)CC1 443317406 XQEUVBQUIOOSNW-UHFFFAOYSA-N 392.890 -0.194 30 20 GBED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 444436316 MAPPMASWIDLYIG-ZFWWWQNUSA-N 395.437 -0.065 30 20 GBED N#Cc1ccc(OCCNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)cc1 469622384 PQAMCUTXMZVPMW-UHFFFAOYSA-N 391.409 -0.541 30 20 GBED Cc1nn(C)c(N2CCN([C@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N 472156786 NISAFLRKNHMIHY-ZIAGYGMSSA-N 394.501 -0.586 30 20 GBED C=CCOC[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)OC 481567807 DKCSGCKSSWZPPD-LLVKDONJSA-N 378.428 -0.492 30 20 GBED N#Cc1ccc(C(=O)CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 557106125 IIXKECVFIGVZQD-CABCVRRESA-N 389.433 -0.107 30 20 GBED N#Cc1cccc(CN2CCC(NC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)CC2)c1 593930445 AAMZYYCZTOSSEA-QGZVFWFLSA-N 399.451 -0.648 30 20 GBED COCCN(C[C@H](O)C(F)(F)F)C(=O)C(=O)Nc1ccn(CCC#N)n1 594307817 JQZBHAISBHWYOT-JTQLQIEISA-N 377.323 0.133 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)NCc1cocn1 594637509 CFBXLKHNOCJXJT-LBPRGKRZSA-N 394.500 -0.245 30 20 GBED C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 735374994 QXHVGUHUOCJVKR-JTQLQIEISA-N 382.427 -0.927 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCC2(CC1)CNC(=O)O2)c1cc[nH]n1 772641733 VBJYCOHRWFIGEC-UHFFFAOYSA-N 379.373 -0.206 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cn2ccnc2)C(=O)OC)cc1 779561141 GHHPSSXLDAABBB-HNNXBMFYSA-N 390.421 -0.234 30 20 GBED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 783494623 FUIDIORLZDZUDS-QWHCGFSZSA-N 376.417 -0.265 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 785152114 GHWJDQBIJYCODS-UHFFFAOYSA-N 389.408 -0.371 30 20 GBED C[C@H](OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C(=O)NC1(C#N)CCC1 787636746 AQSRKTKSEMJCFS-JTQLQIEISA-N 385.380 -0.260 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1 799285669 ASNZIPLJIXAHDG-LBPRGKRZSA-N 383.426 -0.104 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@@H]1CCCO1 809304696 OQANFFCOABLBFA-JYJNAYRXSA-N 376.457 -0.952 30 20 GBED C=CCNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccc(-c3nn[nH]n3)cc2)C1=O 819751596 XNNGVVWIGXCIKH-QGZVFWFLSA-N 398.383 -0.355 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)c2ccccc2-c2nn[nH]n2)c1=O 823937167 KVYBUHIHRVGARQ-UHFFFAOYSA-N 396.411 -0.182 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@]2(C)CCOC2=O)cc1 848637857 XYEFWICRKCUAEJ-HZMBPMFUSA-N 387.439 -0.139 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCCO[C@H](C)C1 848959567 KVFBOXNOEKTMLI-CQSZACIVSA-N 377.488 -0.394 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 875595303 ADQROJLRSHIEJH-GJZGRUSLSA-N 378.473 -0.658 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCC#CCN(C)C)cc1 913514942 BKWYMZRHQFXLOT-UHFFFAOYSA-N 380.470 -0.053 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(=O)N2CCC(C)CC2)C[C@@H]1O 964615467 UDVDFLUGYSIUGF-NCOADZHNSA-N 393.484 -0.086 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(C(N)=O)s2)C1 968872784 XYIFAWSUMJUKHN-WYUUTHIRSA-N 379.438 -0.260 30 20 GBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@@H]2CC(=O)NC(=O)N2)c1 1002673083 QACNARMAEZAKAQ-KBXIAJHMSA-N 381.392 -0.477 30 20 GBED C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)N[C@H](C)COC 1110385267 SSUFWVXRELSDKZ-TUVASFSCSA-N 382.461 -0.229 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1Cn1nnnc1N1CCN(S(=O)(=O)N(C)C)CC1 1120114395 JAKMXGUDTOMGKR-KBPBESRZSA-N 385.494 -0.417 30 20 GBED N#Cc1nc(NC(=O)N2CCN(CC(N)=O)C(=O)C2)ccc1Br 1208089632 JQJMTWSVSBGDEP-UHFFFAOYSA-N 381.190 -0.123 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCCNS(=O)(=O)CC)C[C@@H]1O 1220383006 USHGETZBKMRALF-KBXIAJHMSA-N 375.491 -0.932 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCC(F)(F)F)C[C@@H]1O 1220523923 IEVGRWOORCMHLU-OPDFLTKYSA-N 379.379 -0.193 30 20 GBED C#CCN1CCC[C@H](NC(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)C1 1262041191 PFMXNQHOZMGRJE-ROUUACIJSA-N 393.532 -0.048 30 20 GBED COCn1nc(C)c(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1C 1320267480 KOOMOJNBXDGFLB-FYWRMAATSA-N 383.430 -0.091 30 20 GBED CN1CCN(C(=O)CCNC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1 1321565144 QXMGKEFKFRNXRS-UHFFFAOYSA-N 399.451 -0.572 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 1322897540 CDXZCGDSUZCYQT-QWHCGFSZSA-N 397.439 -0.735 30 20 GBED CN(Cc1cn(C)nn1)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1330983567 PZKKQFXWLQMJAW-MRXNPFEDSA-N 395.423 -0.438 30 20 GBED Cc1cc(C)nc(N2CCN(C(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)n1 1331891777 PHUNPSSTPNTIOM-KRWDZBQOSA-N 397.483 -0.059 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 1336530842 UUDVDJSZQWJETN-UHFFFAOYSA-N 392.500 -0.183 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1cccnc1-n1ccnc1C 1340870981 HRYUSTASMOGRQB-UHFFFAOYSA-N 391.453 -0.091 30 20 GBED C=C(C)Cn1c(C[C@H](C)O)nnc1N1CCN(CC(=O)NCCOC)CC1 1524104907 LLCAUQBRHLXNEX-HNNXBMFYSA-N 380.493 -0.338 30 20 GBED C=C(C)Cn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N(C)C[C@@H]1COCCO1 1524318690 FZOFKLCSHUJNLL-CYBMUJFWSA-N 390.444 -0.230 30 20 GBED C#CCN(C(=O)[C@H]1CCC(=O)N1)C1CCN(C(=O)CCCc2cnn[nH]2)CC1 1574927998 FMFANNISIPJLJJ-MRXNPFEDSA-N 386.456 -0.141 30 20 GBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)c3cncc(-c4cnn[nH]4)c3)C2)nn1 1577714904 AVZCCRASLWSSNN-CABCVRRESA-N 377.368 -0.492 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1OC 1588351241 KSXFTZCACJXMIX-HYVNUMGLSA-N 396.455 -0.321 30 20 GBED C=CCOCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588680770 CKNAVQSSAVXAML-ZIAGYGMSSA-N 389.416 -0.521 30 20 GBED N#Cc1ncn(CCNC(=O)N2CCC(N3C[C@H](C(=O)O)CC3=O)CC2)n1 1594635788 VEWTVCZVTGOJSS-LLVKDONJSA-N 375.389 -0.743 30 20 GBED N#CCN(CCC(=O)O)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1601070993 OKKMKWUHJJOZEK-BFHYXJOUSA-N 399.469 -0.077 30 20 GBED C=CCCn1cc(C(=O)N[C@@H](C)[C@@H](C)N=c2cc[nH]c(-c3nn[nH]n3)n2)nn1 1602846786 ZGVBVZKAHIPMOU-MNOVXSKESA-N 383.420 -0.135 30 20 GBED N#Cc1cn(CCC(=O)NC2CCN(C[C@@H]3CCOC3)CC2)c(=O)nc1O 1629500257 JPJHAJLRGIKPSA-ZDUSSCGKSA-N 375.429 -0.172 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778258421 UAOFDTOHTBBPCS-YLJYHZDGSA-N 392.500 -0.898 30 20 GBED C#CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779096545 OJFHPWKATOILBT-AZUAARDMSA-N 393.484 -0.340 30 20 GBED COc1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(F)c1 1783557812 QWRDRCFUKGWNRE-SFHVURJKSA-N 391.355 -0.239 30 20 GBED C[C@@](O)(C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C(F)(F)F 1783558009 MQKAEMVMZRSVPP-KGLIPLIRSA-N 378.303 -0.782 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccn3nccc3c1)CCO2 1783564779 MKXQOQDTJHKVPU-IBGZPJMESA-N 382.376 -0.134 30 20 GBED O=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#Cc4ccccc4)C[C@@H]32)=NN1 1788553780 HMCFPFHDQDURPR-BQFCYCMXSA-N 394.431 -0.106 30 20 GBED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1788774417 SRBYFVUXFPDWOD-VGWMRTNUSA-N 380.445 -0.579 30 20 GBED Cc1nccn1[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791079285 CSYVAHRMMIUTDN-TUUVXOQKSA-N 388.424 -0.180 30 20 GBED Cc1nc2ncccn2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778177 FRUXMZZMWSZFGL-YWVIFJGQSA-N 397.391 -0.671 30 20 GBED C[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801990020 KRFPKJLNWROEAV-XQLPTFJDSA-N 398.419 -0.074 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H]4CCC(=O)NC4)CCO3)C2)CC1 1829949713 IPQBHDLYQJRUPH-IFXJQAMLSA-N 390.440 -0.727 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCOC)C2)C1 1831386614 BAKOOKKXOUBMQU-LPHOPBHVSA-N 382.457 -0.092 30 20 GBED CN1N=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)CCC1=O 1832375686 UQCZMMRSECUEOQ-GOSISDBHSA-N 391.428 -0.645 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C(F)F)CCO2)C1 1834911761 PTPUUEFRQYBUMN-KRWDZBQOSA-N 388.415 -0.010 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)COC)CCO2)C1 1834974411 APLSLUGGRGGXNT-GOSISDBHSA-N 384.429 -0.401 30 20 GBED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837366147 KWMAOFCKCJCHRO-ACJLOTCBSA-N 378.429 -0.469 30 20 GBED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(C)=O)CCO2 1839862075 RORVUMADLSBJLI-LJQANCHMSA-N 379.457 -0.228 30 20 GBED Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1840482131 MDDPYBHQILCCDZ-LJQANCHMSA-N 388.424 -0.032 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840568927 WGHPFIISYWZRDS-YJBOKZPZSA-N 385.530 -0.041 30 20 GBED COCC(=O)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 46003911 KQCWWEXHCQJVBV-UHFFFAOYSA-N 379.438 -0.210 30 20 GBED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(c2ccccc2C#N)CC1 101554864 BOZYUGIFOGKJTH-CYBMUJFWSA-N 396.451 -0.069 30 20 GBED C[C@H]1C[C@H](C(=O)N2CCN(CC#N)CC2)[C@H](C(=O)N2CCN(CC#N)CC2)C1 249492142 ZUYHJFNNVJCQTA-NNZMDNLPSA-N 386.500 -0.016 30 20 GBED COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN3CCOC[C@H]3C#N)C2=O)c1 266881644 XPFKSRDZCWLPPN-ACJLOTCBSA-N 387.396 -0.282 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCc1cnc(N(C)C)n1C)c1cc[nH]n1 278082475 XGGOQYXOJVZJCQ-KGENOOAVSA-N 377.405 -0.191 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1=O 280987273 ADZJIUMNGJPZIY-SAAWNECCSA-N 375.425 -0.217 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(/C(O)=N/[C@H]3CSC3(C)C)CC2)CC1 328758866 WHMQPVVCCTWIEV-ZDUSSCGKSA-N 391.563 -0.096 30 20 GBED CC[C@H](/N=C(/O)N1CCN(CC(=O)NC(C)C)CC1)C(=O)N1CCOCC1 331258500 FQHNCNOKIMVJEI-HNNXBMFYSA-N 383.493 -0.320 30 20 GBED CC#CCN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N=c1nc(C)[nH]n1C 349452934 OTMQXSBAEMIMQQ-UHFFFAOYSA-N 397.482 -0.010 30 20 GBED N#Cc1ccc(S(=O)(=O)CCN2CCC(O)(CN3CCOCC3)CC2)nc1 377503957 HNISIUOQDHRCDD-UHFFFAOYSA-N 394.497 -0.114 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1CCN(S(N)(=O)=O)CC1 465123204 RTYILBCLSNCCCK-LBPRGKRZSA-N 393.473 -0.699 30 20 GBED COCCn1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cn1 465418627 CRNLSGBJLZKXRT-CYBMUJFWSA-N 398.427 -0.133 30 20 GBED CC[C@H](C)[C@H](NC(=O)Cn1cnc(C#N)n1)C(=O)NCCN1CCOCC1 495000930 YJMOWVTVUJITDH-BBRMVZONSA-N 377.449 -0.871 30 20 GBED COc1ccc(S(=O)(=O)N2CC(NC(=O)Cn3cnc(C#N)n3)C2)cc1 495696222 JDPOVIIXUIAWLM-UHFFFAOYSA-N 376.398 -0.652 30 20 GBED CN1CN(S(=O)(=O)c2ccc(S(=O)(=O)NC(C)(C)C#N)cc2)CC1=O 514734564 HMUKJGFZHSZGSN-UHFFFAOYSA-N 386.455 -0.313 30 20 GBED CN1CCC(C#N)(NC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 527245407 XQOUGVOTPJCWBT-MRXNPFEDSA-N 377.445 -0.294 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCCN2CCC[C@H]2C(N)=O)n1 540280429 HDJAFJLLITVDQL-ZDUSSCGKSA-N 389.460 -0.096 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3(S(N)(=O)=O)CC3)CC2)cc1 557490157 XQDPYHDZOXLNQQ-UHFFFAOYSA-N 398.466 -0.788 30 20 GBED CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)C1 562697908 NXUJVIIWGXGCJO-LJQANCHMSA-N 384.440 -0.414 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCOC[C@@H]2c2ncon2)cc1 564521536 PLNKHGAMXDJCFG-CYBMUJFWSA-N 377.382 -0.180 30 20 GBED Cn1cc(C#N)c(NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1 611532677 YCGTYKQEOKUEDT-CYBMUJFWSA-N 382.446 -0.050 30 20 GBED COCCOc1cccc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)c1 727160772 KMUFASYEZBSMQS-UHFFFAOYSA-N 384.417 -0.553 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)C[C@H](NC(N)=O)c2cccs2)CC1 728532946 OLJMLAIJLAVNHE-ZDUSSCGKSA-N 377.470 -0.259 30 20 GBED COC(=O)c1sc(NC=C2C(=O)NC(=S)NC2=O)c(C#N)c1CC(=O)O 737718068 GVLORQOYIAURHQ-UHFFFAOYSA-N 394.390 -0.140 30 20 GBED C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 773948938 PZQWPLWRSLLPCU-ZDUSSCGKSA-N 393.469 -0.418 30 20 GBED C=CCS(=O)(=O)CCNC(=O)Cn1cc(Br)c(O)nc1=O 783616658 OUVLLQKFHBYNGZ-UHFFFAOYSA-N 380.220 -0.572 30 20 GBED C#CCOCCNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 784605287 FUENMPSENAKYPE-UHFFFAOYSA-N 393.465 -0.081 30 20 GBED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 787756806 RQPQZWNZNFBKAY-CYBMUJFWSA-N 394.457 -0.978 30 20 GBED C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 804949926 HQQXKFQFJJCQOK-UHFFFAOYSA-N 389.455 -0.572 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)C(C)(C)C 807534251 OEXYBHBBDHTHFY-AWEZNQCLSA-N 375.429 -0.156 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)C1=O 819751590 XJBZAFXBHZKOOU-UHFFFAOYSA-N 387.331 -0.401 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CN(C(=O)[C@@H]2CCCN2CC#C)CCN1C 846280015 AESSXNKYCQTTQL-UFYCRDLUSA-N 399.539 -0.560 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC[S@@](C)=O)cc1 848941130 DKKLUNXDKMJOIZ-KPWVOAKYSA-N 393.512 -0.124 30 20 GBED C#C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NCC#N)[C@@H]1CCCO1 848955537 DBMKJVCTULVIDR-OLZOCXBDSA-N 383.451 -0.052 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](O)C1 848955737 AIKBFFJPTDAVFY-ZDUSSCGKSA-N 383.451 -0.411 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)c3cnn(C)c3N)C[C@@H]21 960979310 XVGDEBOSPJLVPW-UQOMUDLDSA-N 375.429 -0.355 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn3c2OCCC3)C[C@H]1O 1023957921 FEZYRIZBBHAGBA-MIGQKNRLSA-N 390.440 -0.052 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)Nc2c(C)nn(C)c2C)C[C@@H]1O 1083790285 ZTYIBSRWAQMIFJ-WCVJEAGWSA-N 391.472 -0.272 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCCCOC 1110679264 QUVGVRUJHPKULQ-BDXSIMOUSA-N 376.501 -0.042 30 20 GBED Cc1cn(C)c(CC(=O)N2CCOC[C@@H]2C#N)c1C(=O)N1CCOC[C@H]1C#N 1116830429 VSYDTHDIEGPQJC-LSDHHAIUSA-N 385.424 -0.008 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)NCCN1Cc2ccccc2C1 1117123121 QCCRQLSSTZHHGL-ISLYRVAYSA-N 397.435 -0.239 30 20 GBED C[C@]1(C#N)CCCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)C1 1117565552 SUNXAEWJLFNEFV-MRXNPFEDSA-N 379.442 -0.372 30 20 GBED N#CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)n2)O1 1130804904 RXIJDDPKGRITQD-MROQNXINSA-N 375.433 -0.344 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)C1 1194847942 SCXWBYXDDVUQKG-KONPQCLYSA-N 378.473 -0.275 30 20 GBED N#Cc1ccccc1N1CCCN(C(=O)C(=O)N2CCS(=O)(=O)CC2)CC1 1261311389 PSBBIGNPUWCURL-UHFFFAOYSA-N 390.465 -0.146 30 20 GBED CCN1C(=O)[C@@H]2CN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)CCN2C1=O 1319731907 YWVOIZIJUKLEMM-HNNXBMFYSA-N 381.392 -0.058 30 20 GBED COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1332615095 BFFJVUWQKHOLMD-HRCADAONSA-N 380.445 -0.878 30 20 GBED N#CCCNC(=O)CN1C(=O)N[C@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O 1338482050 KRCGOZKAZRUMIU-INIZCTEOSA-N 394.384 -0.220 30 20 GBED C=CCn1c(CN2CCC(CO)CC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1339607784 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-0.594 30 20 GBED C=C[C@@H]1OCC[C@H]1NC(=O)CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1588727788 JCSAKLQYUYICTF-OLZOCXBDSA-N 378.414 -0.395 30 20 GBED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1591283593 GCODSOLPGZKQHH-MJVIPROJSA-N 399.411 -0.269 30 20 GBED CS(=O)(=O)N1CC(CNC(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 1591680217 JUVHFYYAIHCTPM-AWEZNQCLSA-N 389.441 -0.443 30 20 GBED CO[C@@]1(C(=O)O)CCN(C(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)C1 1599069974 ZJYPVTXVDPWHEA-KSSFIOAISA-N 375.381 -0.248 30 20 GBED C=C(C)C[C@@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 1602753970 WPMOLHOUEDEAHZ-AAEUAGOBSA-N 394.457 -0.023 30 20 GBED CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)c1[nH]c(=O)n(C)c(=O)c1C#N 1611955816 YFAAPLWHCRXHKQ-UHFFFAOYSA-N 392.460 -0.066 30 20 GBED CN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1617612490 HBHIIRKXQWIVKF-HNNXBMFYSA-N 383.460 -0.057 30 20 GBED CCc1oncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1786238341 KHQRWNUZVFSZIF-WHOFXGATSA-N 375.381 -0.082 30 20 GBED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(N)=O)C[C@@H]21 1789891761 QFJVDKGQHXIREJ-KKUMJFAQSA-N 395.456 -0.259 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)ncn1 1793492413 AKOHIJFSXSKFQD-FAXLKDOZSA-N 390.440 -0.042 30 20 GBED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1796184337 OJUHYJBOPBVGMT-ZSBIGDGJSA-N 381.396 -0.027 30 20 GBED COC(OC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797809716 BKTLKXRSKVKDST-LAHJCIIPSA-N 399.444 -0.276 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)N1CCOCC1 1798490020 JSCANZXQFQEEFB-BQJWPVKWSA-N 395.500 -0.152 30 20 GBED NC(=O)[C@@H](N)CCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200626 NMXZGEUOXUGOQH-JQWIXIFHSA-N 390.400 -0.917 30 20 GBED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2 1825012428 XRZVOWFSLJFWGE-LLVKDONJSA-N 396.494 -0.581 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)C1 1829673260 IFPGTLDVTWVUEP-HNAYVOBHSA-N 377.441 -0.455 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1831387851 RUWCZYDKNLHNAL-UWVAXJGDSA-N 393.484 -0.425 30 20 GBED COc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)cn1 1834760875 RMXWIQPCFOXWED-KRWDZBQOSA-N 375.385 -0.531 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC(F)(F)F)CCO2 1835336565 TXCLXRWRMZIFPV-CQSZACIVSA-N 378.303 -0.517 30 20 GBED C#CC(=O)N1CCC(N2CCC(NC(=O)c3nc4ncccn4n3)CC2)CC1 1835352527 RJLWTFWTFRBFDO-UHFFFAOYSA-N 381.440 -0.057 30 20 GBED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)CC1 1838754245 LMCRVDDJWBGPNI-CYBMUJFWSA-N 391.424 -0.791 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1840166238 ZEOPQCIYPQHSMU-DVOMOZLQSA-N 383.474 -0.386 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1840166949 MRIDNWXPRDJNHM-SFHVURJKSA-N 375.429 -0.311 30 20 GBED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)n1cnnn1 1840474384 QFJZTZWYZPPJKA-RDTXWAMCSA-N 388.428 -0.896 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 14101418 SOUPRRIYPKFTMR-UHFFFAOYSA-N 378.454 -0.277 30 20 GBED C[C@H]1CN/C(=N/CCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)N1 262675877 TXYOCXFYUROHMB-NSHDSACASA-N 390.487 -0.272 30 20 GBED C[C@@H](CN1CCCC1=O)/N=C(/O)N1CCN(C(=O)CN2CCOCC2)CC1 328764180 GEYAMUOFMUEDGN-HNNXBMFYSA-N 381.477 -0.612 30 20 GBED CCCS(=O)(=O)NC1CCN(/C(O)=N/C[C@H]2CN(C)CCN2C)CC1 329498061 XSPAVBLXOQDHEK-HNNXBMFYSA-N 375.539 -0.060 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CC(O)(C(F)F)C1 349457124 RZUVIKFOZAPEKF-VIFPVBQESA-N 395.409 -0.123 30 20 GBED CN1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc(C#N)ccn2)CC1=O 349467985 UDINUISCFWOUQR-UHFFFAOYSA-N 387.443 -0.854 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCCOC2)c1C#N 349593843 QVSDQSYOXSJOSV-NSHDSACASA-N 391.475 -0.180 30 20 GBED N#CCNC(=O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 376205391 AFTRMKLKIDDACI-GFCCVEGCSA-N 382.417 -0.018 30 20 GBED C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 420064578 OTPJSMZNRSXVIN-UKRRQHHQSA-N 386.456 -0.169 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H](CO)[C@@H](O)C3)CC2)c(F)c1 460073772 FAHVIDHDTPZMEQ-BBRMVZONSA-N 376.388 -0.842 30 20 GBED N#CCCN(CCN1CCOCC1)CC(=O)N1CCN(c2cnccn2)CC1 478033858 DEIJVBAVOYOBMH-UHFFFAOYSA-N 387.488 -0.327 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)C1=O 499017920 WGNMLONPPYAYHI-GOSISDBHSA-N 399.363 -0.344 30 20 GBED Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c1=O 524281201 LQKJMEBBDNVJAV-UHFFFAOYSA-N 390.490 -0.207 30 20 GBED C[C@]1(CNS(=O)(=O)c2cccc(S(=O)(=O)NCC#N)c2)CCC(=O)N1 566748730 SVLCYZDLDFMZKW-CQSZACIVSA-N 386.455 -0.565 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](CO)C3CCOCC3)CC2)o1 578355406 JWRFPCDUKKXSRB-MRXNPFEDSA-N 377.445 -0.120 30 20 GBED CCn1nncc1CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 599474238 LLVLPSKYRNTSHU-UHFFFAOYSA-N 385.432 -0.823 30 20 GBED N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 609108716 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GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@H]3C=C[C@H]2N(C(=O)OC)C3)CC1 819244623 RCWCIGSMUXGAEL-IXDOHACOSA-N 388.468 -0.087 30 20 GBED C=CCNC(=O)NC(=O)CN1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C 819751339 TWAMTFJLBHADHY-NSHDSACASA-N 386.420 -0.821 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)OCC)C2)CC1 831556163 JAMSHWXDKUEOLC-CQSZACIVSA-N 386.474 -0.533 30 20 GBED N#C[C@@H]1CNC[C@@H]1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 834489199 KOQBHBBCFPARFO-BYCMXARLSA-N 393.425 -0.024 30 20 GBED NC(=O)c1coc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 855344144 SLHVFPOFRSCADM-UHFFFAOYSA-N 391.409 -0.091 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1C 959693153 GFFJYSJLSRBFCW-IATRGZMQSA-N 378.429 -0.518 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@@H]1O 964613440 HBAXFLRIYFKTKX-VDERGJSUSA-N 375.425 -0.332 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3ncn(C)c3n2)C[C@@H]1O 970706828 JGDVUOFNRVUDAD-FWYOQMDTSA-N 385.424 -0.139 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2CCOCC2=O)nc1 1003510548 GGFTVCFXUOFRJS-OIISXLGYSA-N 382.420 -0.217 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 1025698201 GXHNSBAJJGVMMN-QZKOUSHUSA-N 376.413 -0.604 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 1117412115 LLVAQQFHCHDZFG-UHFFFAOYSA-N 387.469 -0.506 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1ccc2c(c1)CCS2(=O)=O)[C@@H]1CCCO1 1117585778 MMKIRRRTKMYKKC-GJZGRUSLSA-N 376.434 -0.070 30 20 GBED N#Cc1cn(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c(=O)nc1O 1137593124 MBJIIZIQMJNMAB-IAGOWNOFSA-N 397.435 -0.180 30 20 GBED N#Cc1cn(CCNC(=O)Cn2cccc(C(F)(F)F)c2=O)c(=O)nc1O 1167523938 YVFQKSZVVGAKKS-UHFFFAOYSA-N 383.286 -0.183 30 20 GBED Cc1cc(NC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)n(CCC#N)n1 1319671822 NBTXYPBGAPXTOV-GFCCVEGCSA-N 382.446 -0.416 30 20 GBED CCC(=O)N1CC[C@@H](C(=O)NCC#CCNC(=O)[C@@H]2CCN(C(=O)CC)C2)C1 1321358863 CUSVXJFBVYQXBA-HZPDHXFCSA-N 390.484 -0.261 30 20 GBED N#Cc1cccc(CS(=O)(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 1321643957 XJQHQWXLHSXIMH-AWEZNQCLSA-N 385.467 -0.329 30 20 GBED CC(C)NC(=O)C(=O)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1323106950 YSGRUAOOCPNUQA-FOCLMDBBSA-N 391.428 -0.902 30 20 GBED C[C@@H](CNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)CC1(C)OCCO1 1323421085 NVNRCGAOVFVVSV-DKASORFFSA-N 394.428 -0.466 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC(N3CCOC3=O)CC2)CCN1C1CC1 1331997562 QKEQAPJOYRVYQX-OAHLLOKOSA-N 375.429 -0.372 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NC2CCN([C@H]3CCC[C@H]3O)CC2)nn1 1332042160 IWFQYFWFEVNCRO-JKSUJKDBSA-N 376.461 -0.426 30 20 GBED CO[C@H]1CN(C(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C[C@H]1OC 1348342628 YRSDBIKFYMBMCC-GASCZTMLSA-N 390.444 -0.879 30 20 GBED C[C@@H](NC(=O)CCOCc1cnn[nH]1)[C@H]1CCCN(CC(=O)NCC#N)C1 1575638771 CLGIRFFEZJETTM-KGLIPLIRSA-N 377.449 -0.432 30 20 GBED CN(C(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1)N1CCS(=O)(=O)CC1 1578839478 JDZQEZCKWNEFCY-CQSZACIVSA-N 389.441 -0.347 30 20 GBED C#CCNC(=O)CN1CC[C@H](N(CCC)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588354733 XNIRZROBTZGYAJ-AWEZNQCLSA-N 384.444 -0.129 30 20 GBED C[C@H](C(=O)N1CCC(C#N)(C(=O)O)CC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1589346041 KHVVGVZEVBCZOM-KVSVUVNWSA-N 375.381 -0.246 30 20 GBED CC(C)CN1CCO[C@@H](CNC(=O)Cn2cc(C(=O)O)cc(C#N)c2=O)C1 1591365738 BNFVGMAWQULITI-HNNXBMFYSA-N 376.413 -0.109 30 20 GBED COc1ccc(C(=O)N2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)c(OC)c1 1611849715 ZQPXSRYWGLWVCD-UHFFFAOYSA-N 399.407 -0.075 30 20 GBED C[C@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104734 GHSXTLMXBAQILC-FZTBZWDOSA-N 396.444 -0.520 30 20 GBED COc1cc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccc1O 1780752537 POEJMZNWUURZIH-IBGZPJMESA-N 388.376 -0.068 30 20 GBED N#Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)CN)CCO3)c(Cl)c1 1781967974 CPVYIZHWYWMWKW-YJBOKZPZSA-N 391.859 -0.059 30 20 GBED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(O)O)[C@H]3C2)cc1 1783864880 LICGEXJHXMVQCH-ULQDDVLXSA-N 387.436 -0.219 30 20 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GBED COCCNS(=O)(=O)c1ccc(NC(=O)NCCn2cnc(C#N)n2)cc1 287217697 RLLFIXUGHBWFRW-UHFFFAOYSA-N 393.429 -0.104 30 20 GBED CCn1nc(C)c(/C=c2\s/c(=C(\C#N)C(=O)NC3CC3)n(C3CC3)c2=O)n1 297854564 OPUSWJWYHTUWGB-VPWBUPDASA-N 384.465 -0.054 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)cc1 299516724 KSUPBEDYEIMFJX-CQSZACIVSA-N 375.406 -0.382 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(=O)N(C)C1 349443999 BVCBLKNQVLOCCY-UHFFFAOYSA-N 386.455 -0.359 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCn2nc(C)nc2C1 349528903 VMALWOFYUMSOCK-UHFFFAOYSA-N 390.491 -0.703 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N1CCCOCC1 349529502 ZYGNWYUSZHMVMA-ZDUSSCGKSA-N 397.544 -0.301 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@H](C)N(C)[C@H](C)C3)CC2)c1C#N 410839388 ZKWAHIBCJINBFS-OKILXGFUSA-N 387.488 -0.200 30 20 GBED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCC(=O)NCCO)c1C 439248000 HPYHHBCIMUUFKT-UHFFFAOYSA-N 384.396 -0.476 30 20 GBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 440282130 ZONAUMQMXYGNGY-NSHDSACASA-N 384.371 0.511 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CS(N)(=O)=O)cc2)C1=O 499088290 VQTHUEJBQXCDKT-UHFFFAOYSA-N 380.382 -0.610 30 20 GBED CN(C(=O)CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1)C1(C#N)CCCCC1 507937531 DHPVQUMCLGFKAC-HZPDHXFCSA-N 398.529 -0.553 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 510258828 QGOXIYLBPZIGEJ-QWHCGFSZSA-N 382.508 -0.457 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)CC2)c1C#N 529132768 KTWUXZFTWRKQOP-AWEZNQCLSA-N 394.501 -0.080 30 20 GBED C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N(C)CCCc1[nH]nc(N)c1C#N 534099490 OWYGOTVFXTZHBM-NEPJUHHUSA-N 382.490 -0.238 30 20 GBED CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CCO1 539178310 OONQANVEXPIOTE-ZDUSSCGKSA-N 376.417 -0.188 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@H](CS(C)(=O)=O)C2)n1 556408114 VPOYYJXGHYNZIF-NSHDSACASA-N 381.458 0.341 30 20 GBED CCN1CCN(C(=O)CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 557101630 NELBHTMCOUGVKE-UHFFFAOYSA-N 392.481 -0.247 30 20 GBED COCCO[C@@H]1COCC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 581401200 WFYGEBVFEDZBPI-HZPDHXFCSA-N 397.453 -0.227 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](CO)CN2CCCCC2)cc1 582610092 NMPZYKIONWAGCS-HNNXBMFYSA-N 380.470 -0.200 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCC[C@@]1(O)CCOC1 594633764 GXNYXXKZFWZDDS-CQSZACIVSA-N 389.455 -0.692 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 599938400 OOCHJJFYXCWJOA-BPUTZDHNSA-N 392.481 -0.107 30 20 GBED C=CCn1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)nn1 648242176 LTUGMUSPSQQVAX-UHFFFAOYSA-N 390.425 -0.163 30 20 GBED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N(C)C)CC1 669803903 MIYZNPKCHKFMIS-CYBMUJFWSA-N 399.521 -0.716 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)/C(=C\c2ccccc2)n2nnnc2C)CC1 728534305 ZWXUWSVNSFBCHV-NBVRZTHBSA-N 393.451 -0.127 30 20 GBED C[C@@H](OC(=O)CNS(=O)(=O)c1cn(C)cn1)C(=O)NC1(C#N)CCCCC1 756458807 KBMJUMDGGSXVIC-GFCCVEGCSA-N 397.457 -0.027 30 20 GBED C#C[C@H](NC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1)[C@H]1CCCO1 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C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2C(=O)CNC2=O)nc1 1004748791 QQHLTVQIISXZQG-YUELXQCFSA-N 381.392 -0.524 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1C[C@H]1C(=O)N(C)C 1109724296 LKZKBXCEVUAYRV-SEBNEYGDSA-N 391.472 -0.556 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc2c(O)ncnc2cn1 1110043668 AXERPJJXHZTUCS-FFSVYQOJSA-N 380.408 -0.185 30 20 GBED N#Cc1cccc([C@H]2CN(C(=O)C(=O)NCCCN3C(=O)CNC3=O)CCO2)c1 1117329419 KRTNUINDVBRYHH-OAHLLOKOSA-N 399.407 -0.484 30 20 GBED COCCNC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 1122626438 ZKTXPBHLVSDGQI-LLVKDONJSA-N 385.398 -0.614 30 20 GBED CS(=O)(=O)CC[C@@H]1NC(=O)N(C[C@@H](O)COc2ccc(C#N)cc2)C1=O 1317726094 RIURCEFRRVUEKQ-OCCSQVGLSA-N 381.410 -0.347 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)n1 1328709246 XLWYZSCVGMSVJB-NSHDSACASA-N 382.446 -0.402 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCNS(C)(=O)=O 1340588698 DKLSATRCCGFCRU-LLVKDONJSA-N 388.471 -0.767 30 20 GBED C#Cc1ccc(C(=O)N(C)C[C@@H](O)CN=c2cc(C)[nH]cc2-c2nn[nH]n2)nc1 1588364564 GQMOBFSJPAFCGN-AWEZNQCLSA-N 392.423 -0.087 30 20 GBED C=CCCOCC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](OC)C1 1588616276 CHPNAIUIMNNNEB-ZIAGYGMSSA-N 389.416 -0.257 30 20 GBED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 1590756785 BXOCPVRSSYTKAK-LLVKDONJSA-N 399.415 -0.234 30 20 GBED N#Cc1ncc(N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)nc1-c1nn[nH]n1 1592708343 KNPXIEJZPYOQDS-SNVBAGLBSA-N 389.445 -0.173 30 20 GBED C=CCCOCC(=O)N1CCCO[C@H](CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1602844585 QDIWYAPZKLMVQU-CYBMUJFWSA-N 388.432 -0.299 30 20 GBED C=CCn1c(C[C@H]2SCCNC2=O)nnc1N1C[C@@H](C(=O)O)O[C@H](C)C1 1602935211 BMFWKMXQPOTFQS-GRYCIOLGSA-N 381.458 -0.084 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)cc1 1608183652 FSQZCWCJKSILNU-CHWSQXEVSA-N 381.410 -0.214 30 20 GBED C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@H]2C(=O)O 1609487388 NNFWBCHFCACYBB-LHEWDLALSA-N 380.397 -0.443 30 20 GBED CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[C@](F)(C#N)C2)c1 1638650271 NXWZIUMKWVDWOG-AWEZNQCLSA-N 389.430 -0.167 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc[nH]n2)C1 1777770493 BKGFPFHHUKPNGT-PMUMKWKESA-N 375.429 -0.030 30 20 GBED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)cc1 1781046562 SZEMKZRBFOQJFW-ABSDTBQOSA-N 384.436 -0.275 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(C)=O)C1 1781761214 VTBSDNDHNAQIPP-IDHHARJASA-N 379.457 -0.325 30 20 GBED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](O)N4CCOCC4)C[C@@H]32)C1 1783464012 MVOGEONZUISYJP-PCODUJHASA-N 393.484 -0.417 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1[nH]cnc1C)C2 1792489092 FMRPYTDCQDTAJU-OLDVJPBNSA-N 387.440 -0.220 30 20 GBED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1 1796353644 MZDAZRLOPDLHMZ-DDFAGTSDSA-N 375.385 -0.359 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)COC(=O)C(F)(F)F)CC1 1797654581 PWEBQWHBMINLRR-PEGIJTEDSA-N 389.330 -0.015 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2 1799395698 HJHIJAARGXHNRB-ARILJUKYSA-N 393.448 -0.375 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CC)C2)C1 1829763001 XEQOGCONWUFILK-YLRDJVGTSA-N 395.456 -0.928 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSCC(=O)OC)CCO2 1831449331 JXFVWAMSZYHVHR-KRWDZBQOSA-N 386.470 -0.075 30 20 GBED Cc1oncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834318414 GDRCXQGEEAQJJY-QGZVFWFLSA-N 377.353 -0.859 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1834760438 DAGKIJQFHPVVNX-SFHVURJKSA-N 384.396 -0.058 30 20 GBED N=C(N)SCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1835504740 ORQWMMYSWNMIFE-QGZVFWFLSA-N 380.470 -0.517 30 20 GBED N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)c1ccccn1 1835696383 YUEQLYMVXXDWGA-PZJWPPBQSA-N 398.463 -0.049 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1nc(N)n[nH]1)CCO2 1837279601 XTKCMYKBBMYLPR-GOSISDBHSA-N 390.444 -0.811 30 20 GBED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)nn1 1838347131 MEDGOVRWNPAJLA-GOSISDBHSA-N 389.412 -0.141 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N(C)C(C)=O)C2)C1 1840842108 NLGASHYWCYLMST-DNVCBOLYSA-N 379.457 -0.277 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1840844059 BNUYZHXDCDZQSS-FERCGXDMSA-N 377.441 -0.104 30 20 GBED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841299525 AMEAZBPZXYBHOH-GFCCVEGCSA-N 395.412 -0.837 30 20 GBED O=C1CC[C@H](C(=O)N2CCCC23CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)N1 1842797146 XPMWTOBKKDLZHA-PPWBVHDNSA-N 378.429 -0.003 30 20 GBED C[C@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 10783742 CHXZHNZSDGFKIB-JTQLQIEISA-N 386.364 -0.269 30 20 GBED C=C(C)CNC(=S)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 66008487 RRDOPDPFXQNOGQ-LBPRGKRZSA-N 381.545 -0.429 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)NCC#N)CC2)cc1 66472284 INYNUVHTDRGGET-UHFFFAOYSA-N 394.453 -0.191 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 264969556 GOXOIZDLQKLMQO-STEAMIEHSA-N 398.463 -0.923 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCCN2CCNC(=O)C2)cc1 269896175 FIWOZTTYKUYCNG-UHFFFAOYSA-N 393.469 -0.570 30 20 GBED CN(C)C(=O)CNC(=O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 275682293 ZJINKJFKVBUROH-UHFFFAOYSA-N 385.424 -0.060 30 20 GBED Cc1cc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)ccc1C#N 278053501 RSSOZIJSJLTXQQ-JKSUJKDBSA-N 399.494 -0.357 30 20 GBED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCS(C)(=O)=O 284144502 SCSVETJZMVCYBW-UHFFFAOYSA-N 380.470 -0.391 30 20 GBED C=CCN1CCC(NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 284383987 OQHLRDPQLDMFTG-UHFFFAOYSA-N 390.488 -0.346 30 20 GBED C=CCCOCCNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 289482004 XJXMLCSSYCKDMZ-MRXNPFEDSA-N 380.489 -0.150 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)OC)C(=O)OC)cc1 298088797 HCMQZNGPVVIZKO-ZDUSSCGKSA-N 382.394 -0.567 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCCCC(=O)OCC)c1=O 299249525 AUVBSSMULOIZFU-UHFFFAOYSA-N 380.401 -0.997 30 20 GBED CS(=O)(=O)N1CCC[C@@H](N/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)C1 328816020 PQLULNZALFBOHZ-VXGBXAGGSA-N 382.508 -0.662 30 20 GBED CN1CCN(c2ccc(C/N=C(/O)N3CC[C@H](S(N)(=O)=O)C3)cn2)CC1 330011525 JBEWLWUPFIQXCL-AWEZNQCLSA-N 382.490 -0.390 30 20 GBED Cc1c(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@](F)(C#N)C2)nnn1C 348344843 KQYPHMPSLFWAIL-LBPRGKRZSA-N 394.454 -0.477 30 20 GBED C[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)Nc1ncccc1C#N 349455546 CWVTXAYKXSDHAC-WCQYABFASA-N 388.471 -0.130 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)C1=O 363064074 RTVVVZQPFHPXIP-GFCCVEGCSA-N 394.453 -0.470 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](CS(C)(=O)=O)C3)CC2)o1 368351195 CCPPVODESWFBOB-AWEZNQCLSA-N 395.485 -0.130 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H]2CCN(C3CCN(C)CC3)C2)C1=O 370830167 LLRSREBXXILNNR-OAHLLOKOSA-N 391.472 -0.410 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCCS(=O)(=O)c2ccc(F)cc2)CCO1 409494107 BWHQQASGJFYZDB-LBPRGKRZSA-N 377.419 -0.342 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CNCCO3)CC2)c(Cl)c1 420206604 SQCODLNJSHUNRC-CQSZACIVSA-N 391.859 -0.035 30 20 GBED C[C@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 435201312 GAPFQVIEICONSE-ADLMAVQZSA-N 387.371 0.478 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(OCC(=O)N(C)C)C1 482325468 JUHFUWRFGXQEMR-LBPRGKRZSA-N 394.453 -0.459 30 20 GBED CCOC(=O)[C@@]1(COC)CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C1 499705453 JYELKDAROMITAC-ZFWWWQNUSA-N 375.447 -0.253 30 20 GBED N#Cc1ccccc1OC[C@@H](O)CN1CCN(C(=O)CN2CCOCC2)CC1 528339474 PFWHAXUBYFSTCI-SFHVURJKSA-N 388.468 -0.226 30 20 GBED CN(C)CCN(CC(=O)OC(C)(C)C)S(=O)(=O)N1CCO[C@H](C#N)C1 554521532 FIUBBOQLLFTQRW-CYBMUJFWSA-N 376.479 -0.339 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCn4cnnc4C3)C2=O)cc1 554694903 RJDRNQRNRXSSLI-HNNXBMFYSA-N 393.407 -0.591 30 20 GBED COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)n1 564783131 QOVBBBYHRABPID-UHFFFAOYSA-N 386.433 -0.473 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CCO1 583923750 JXCLZWXARUZTMG-OLZOCXBDSA-N 392.503 -0.751 30 20 GBED CCN(C)C(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 594629683 RYYOJDNWVRZRID-NSHDSACASA-N 388.471 -0.366 30 20 GBED C#CCN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 763016700 QEJOAJUBWWADOQ-ZDUSSCGKSA-N 378.454 -0.770 30 20 GBED C#C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@H]1CCCO1 775325652 CPORMNCJBLCGDX-UHOFOFEASA-N 391.449 -0.016 30 20 GBED CCN(CCC#N)C(=O)COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 786369751 WSEJBIFTUPLHRJ-MPTQWLOMSA-N 377.397 -0.156 30 20 GBED C#CCNS(=O)(=O)N1CCN(CCC(=O)N2CCOc3ccccc32)CC1 794561716 JGIQFWXBKOXWSW-UHFFFAOYSA-N 392.481 -0.113 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)[C@H]1CCCO1 809312710 NUZDMMFAQKUCNS-HUUCEWRRSA-N 385.424 -0.874 30 20 GBED COc1ccc(N2CCN(C[C@@H](O)CNCCn3cnc(C#N)n3)CC2)cc1 819305209 IAIKBFYNMFRSOY-KRWDZBQOSA-N 385.472 -0.069 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H](c3ccccc3)OC2=O)CC1 831574544 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VLFPWMAMNAKEAQ-LHHMISFZSA-N 391.472 -0.100 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(c2cncc(C(=O)N(C)C)n2)C[C@@H]1O 1044559912 NOOIEHLRHURZPG-RZFFKMDDSA-N 375.429 -0.565 30 20 GBED C[C@H](COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N)N1CCCC1 1109732939 BQCCUKYJAKGDHW-NCOADZHNSA-N 377.489 -0.151 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1=COCCO1 1110253973 WOCOAUKKCBRYOE-DGAVXFQQSA-N 378.429 -0.004 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CC[C@@H](OCCN2CCOCC2)C1 1116492678 PWCANYNUJVQBPU-AMGRQBIBSA-N 392.456 -0.147 30 20 GBED C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1118682942 PSKASVLHDZLWQQ-MMEFHMBZSA-N 378.429 -0.362 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)nn1 1261449115 QWDSZIVVIVREOA-UHFFFAOYSA-N 380.412 -0.304 30 20 GBED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(O)nn1 1320142042 BQAMMSCFLPWHEP-ZDUSSCGKSA-N 382.442 -0.106 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)nn1 1326239776 TYKKPRMXKKNGGX-CYBMUJFWSA-N 386.416 -0.874 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)nn1 1326250666 OTOCGMGZFMOVPD-DOTOQJQBSA-N 389.504 -0.435 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 1328814686 ATFHAWBWIRJSSA-LSDHHAIUSA-N 387.502 -0.537 30 20 GBED C=CCn1c(N2CCN(CC(=O)NCC)CC2)nnc1C1(O)CCOCC1 1340641592 OTYUIBKCYZQHNO-UHFFFAOYSA-N 378.477 -0.280 30 20 GBED C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1343056036 YMVCOOZGNYLQLY-DPCRMLNESA-N 378.458 -0.731 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H]1CCn2ccnc2C1 1343151796 YXVCFRWRVGCMJJ-KGLIPLIRSA-N 394.439 -0.287 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCC(=O)N(C)Cc2ccccc2)CC1 1345021670 FRHFXQABZCSBDV-UHFFFAOYSA-N 398.463 -0.251 30 20 GBED C#CCNC(=O)[C@H](C)N1CCC(N(Cc2cnn[nH]2)C(=O)CCN(C)C)CC1 1574986213 VYIRXYISDBWTST-HNNXBMFYSA-N 389.504 -0.313 30 20 GBED C[C@@H](C#N)C(=O)N(C)CCOCCNC(=O)[C@@H]1CCCN1Cc1cnn[nH]1 1575179306 UCVSESHXGVKKAM-ZFWWWQNUSA-N 377.449 -0.480 30 20 GBED C[C@H](OCc1cnn[nH]1)C(=O)N1CCOC[C@@H]1CNC(=O)CSCC#N 1575830741 VVAQNSWXXIZXAT-AAEUAGOBSA-N 382.446 -0.690 30 20 GBED N#Cc1c[nH]c(C(=O)NCC2[C@H]3CN(c4cnc(-c5nn[nH]n5)cn4)C[C@H]23)c1 1581862628 ISBINLZLRKRRNN-VXGBXAGGSA-N 376.384 -0.031 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H](CO)Nc1nc(Cl)c(-c2nn[nH]n2)s1 1588355256 GHUIJVVQVISWMG-SFYZADRCSA-N 385.837 -0.096 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nn[nH]n1 1588499560 JWKBFNRYSXSAJH-YVEFUNNKSA-N 375.433 -0.156 30 20 GBED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1OC 1588688759 PRSOKLPAPCFUSO-UHFFFAOYSA-N 387.443 -0.246 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](O)CN(C)c1nccnc1-c1nn[nH]n1 1588718385 KWGDOHLKNGOGIK-XQQFMLRXSA-N 388.432 -0.497 30 20 GBED COC(=O)/C=C1/SCC(=O)N1CCCn1c(N)nc(C#N)c1-c1nn[nH]n1 1591255253 AYEAMCRUMHRPOB-BJMVGYQFSA-N 389.401 -0.503 30 20 GBED N#CCSCC(=O)N1CCC(O)(CNc2ccc(-c3nn[nH]n3)nn2)CC1 1592680601 VXIGRJMFTNRSFR-UHFFFAOYSA-N 389.445 -0.321 30 20 GBED C#C[C@H](C)N(C)C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[nH]n3)cc2)n1 1602689338 CZSJEZWWKDDYMV-NSHDSACASA-N 379.384 -0.075 30 20 GBED CO[C@]1(C(=O)O)CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 1606696897 PBZKTEGBPZVMDI-MEDUHNTESA-N 381.410 -0.073 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCN1CCCS1(=O)=O 1609492922 DILVAVCSRTZNGI-AWEZNQCLSA-N 389.441 -0.299 30 20 GBED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2 1782175462 VWQJFQQWSQCQSA-XWCIJXRUSA-N 398.485 -0.630 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)OC)C[C@@H]21 1784481829 XGRGFTSNPBCODQ-QPSCCSFWSA-N 381.429 -0.640 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCO)[C@H]2C1 1789916544 GEDJHXOEVZTNDB-JYJNAYRXSA-N 396.488 -0.743 30 20 GBED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1791439317 UEAYBUOMPFGIBA-QAETUUGQSA-N 392.500 -0.248 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(COC)CC1)C2 1792484795 RSKRGYXTFMGYIM-FKJOCPDWSA-N 391.468 -0.139 30 20 GBED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1792629077 KIWXMMCIQVZBLL-JJLQDPRZSA-N 390.400 -0.069 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(O)C(F)(F)F)C2 1793340536 KIGNJBZPZYDTJY-VBTGVMJWSA-N 392.374 -0.072 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(C)=O)C2 1793358142 SRFRYOJBFSDBPA-USACIQFYSA-N 397.472 -0.682 30 20 GBED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC)C(=O)O)C(F)(F)F 1795647475 OYZYRPYJQJKMSS-LSCVPOLPSA-N 393.362 -0.243 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2 1799391892 SZUHZEGUCOTRBN-GUIRCDHDSA-N 389.474 -0.579 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CNC(=N)N)sc2C1 1814813880 MTZROVFGHTYTSM-NXEZZACHSA-N 378.458 -0.424 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1C1CC1)CCO2 1830505877 RTKLTYGKFGFHTR-VCBZYWHSSA-N 376.409 -0.423 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)[C@@H](C)CC)CCO2)C1 1831501324 JMNWYVDRKDYEOO-CLWJZODNSA-N 396.484 -0.112 30 20 GBED N#CCC(=O)N1CCC(N2CCC(NC(=O)CN3CCOCC3)CC2)CC1 1834618760 DPTXMWOYODTWEO-UHFFFAOYSA-N 377.489 -0.196 30 20 GBED CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839860536 ZURWEDUYIRLBJU-GOSISDBHSA-N 389.412 -0.908 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839871728 NLXMMEJAHZZRRT-QMTMVMCOSA-N 379.457 -0.209 30 20 GBED CN[C@H](CC(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1)C(=O)O 1844258800 WNHFQDSSRHSQBS-XLTHYULKSA-N 379.461 -0.276 30 20 GBED CN(CC(=O)N1CCOCC1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 68008906 OUNZULNPZSPUBR-UHFFFAOYSA-N 379.438 -0.210 30 20 GBED COCCCNC(=O)/C(C#N)=c1/s/c(=C\c2cnn(C(C)C)c2)c(=O)n1C 264827692 SOQNRDGZKSZRMJ-VKDHKHAMSA-N 389.481 -0.120 30 20 GBED COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN3CCOC[C@H]3C#N)C2=O)cc1 266870623 PUQGHZMSHJZZFU-ACJLOTCBSA-N 387.396 -0.282 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 281868139 UMPSTSJXWKWZQY-CZUORRHYSA-N 392.460 -0.361 30 20 GBED N#Cc1ccc(CS(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 288492673 YPNVTDVWYFGHAE-HZPDHXFCSA-N 399.494 -0.525 30 20 GBED CC(C)N1C[C@H](N/C(O)=N/CCS(=O)(=O)N2CCSCC2)CC1=O 330255754 PUULPTALWPQLFR-GFCCVEGCSA-N 378.520 -0.122 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CCN 418837196 VXLFCLZJYCDDCZ-VYDXJSESSA-N 380.489 -0.070 30 20 GBED CC(=O)N[C@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 422391365 UZHGPUKMSCHUKA-RDJZCZTQSA-N 397.435 -0.093 30 20 GBED C=CCOC[C@@H](NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)OC 435935700 KABDQVZANCAKFN-SJKOYZFVSA-N 397.428 -0.538 30 20 GBED COCCOC1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 441497670 CTHVZLTZGNORNU-UHFFFAOYSA-N 384.396 0.010 30 20 GBED CCCCN(C(=O)Cn1c(=O)c(C#N)cn(C)c1=O)[C@H]1CCS(=O)(=O)C1 491032848 PHPUOLXYOJOURQ-ZDUSSCGKSA-N 382.442 -0.766 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@@H]34)CC2)c1 502301051 ZMOYRHNDNKLVOZ-CVEARBPZSA-N 396.451 -0.129 30 20 GBED N#CC[C@@]1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 592148822 CLLAPMJQBLJRBE-GOSISDBHSA-N 392.481 -0.130 30 20 GBED C[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)Nc2nn(C)cc2C#N)cc1 594621227 SQLCTWAVUZVTGQ-SNVBAGLBSA-N 399.454 -0.248 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCCS(=O)(=O)N2CCOC2)s1 594638789 ZRYIILDLINWEEA-UHFFFAOYSA-N 380.473 0.156 30 20 GBED N#C[C@H]1CN(C(=O)NCCOCCS(N)(=O)=O)CCN1Cc1ccccc1 596623457 SVXXOUXHAZWFGV-INIZCTEOSA-N 395.485 -0.289 30 20 GBED N#CCCN(CCC#N)C(=O)COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745480258 DFBVXQLKKTVQSZ-MPTQWLOMSA-N 388.380 -0.652 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 756748913 ORMPHTQNYWSUPI-ABAIWWIYSA-N 385.446 -0.315 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCNC(=O)C3)CC2)o1 761219031 QNCSRFFSDXGBRZ-GFCCVEGCSA-N 375.385 -0.427 30 20 GBED COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@H](C)C(=O)N(C)CCC#N)c1 764028709 YSODVCANYZCLIQ-LLVKDONJSA-N 386.430 -0.143 30 20 GBED C#CCN(CC#N)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 799086228 RQHXTTDZIZMVCZ-OAHLLOKOSA-N 397.478 -0.246 30 20 GBED N#Cc1cc(NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc1-c1nn[nH]n1 822823737 YMUBGQMCULMZAD-GBOPCIDUSA-N 393.363 -0.161 30 20 GBED C#CCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)CC#N)cc2)CC1 848639977 ZWUTVNPTASDWAM-UHFFFAOYSA-N 396.494 -0.230 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)nn1 976686984 KTAKNUSHDBOCAA-RJZRQDKASA-N 390.444 -0.346 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1323262102 OTBHSLKDMQHIFN-SJORKVTESA-N 392.500 -0.409 30 20 GBED C#CCOc1cccc(NC(=O)C(=O)NCC2(O)CCS(=O)(=O)CC2)c1 1323362138 SFHLJAYQWNTEIN-UHFFFAOYSA-N 380.422 -0.307 30 20 GBED CC#CCNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 1326090061 SOPSEPPSKROSBU-UHFFFAOYSA-N 379.442 -0.759 30 20 GBED CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1326265248 ZEONUWXTKXUZDJ-ROUUACIJSA-N 381.429 -0.318 30 20 GBED Cc1cc(CN2CCN(C(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)on1 1329716427 GMRQYKMJLHCUFW-INIZCTEOSA-N 386.456 -0.174 30 20 GBED CNS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1 1329854753 JTRGAVFBXYONTJ-UHFFFAOYSA-N 392.485 -0.222 30 20 GBED Cn1ncc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1Br 1341915917 SNLAVRILNODRNE-QMMMGPOBSA-N 389.231 -0.238 30 20 GBED N#CCn1cc(NC(=O)C(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cn1 1342587338 ZGBJLBKENWRBNS-LBPRGKRZSA-N 394.457 -0.334 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC(N(C)S(=O)(=O)CC)CC1 1349486913 QIEHZDSDHJPHEI-CQSZACIVSA-N 387.502 -0.197 30 20 GBED CC#CCN(C)C(=O)C(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 1356358794 ODJYVBCQFUETIO-UHFFFAOYSA-N 392.481 -0.275 30 20 GBED C#CCN(CC#C)c1nnc([C@@H]2COCCN2)n1C[C@H]1CCS(=O)(=O)C1 1574621969 GPPQJWGSPNXWSX-CABCVRRESA-N 377.470 -0.554 30 20 GBED C#CCNC(=O)CN(CCNC(=O)C1CCN(Cc2cnn[nH]2)CC1)C1CC1 1575004263 CEJXWVFLYMSHAV-UHFFFAOYSA-N 387.488 -0.653 30 20 GBED CCc1nc(-c2nn[nH]n2)cc(N2CCC[C@@](CO)(NC(=O)[C@H](C)C#N)C2)n1 1578590017 BEBRTUXAXAWJKY-PIGZYNQJSA-N 385.432 -0.174 30 20 GBED C=CCOCCNC(=O)C(=O)N1CCN(c2ccsc2-c2nn[nH]n2)CC1 1602871522 ULAXIQJDVQQFGK-UHFFFAOYSA-N 391.457 -0.104 30 20 GBED C[C@@](CO)(NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C(=O)O 1604196476 RAWMBVLRSHTUCG-QAPCUYQASA-N 378.404 -0.040 30 20 GBED CCO[C@H]1C[C@@H](O)C12CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)CC2 1628551015 QWJYKVZCGMVJQT-KGLIPLIRSA-N 376.413 -0.011 30 20 GBED N#Cc1cn(CCC(=O)N(CCN2CCOCC2)CC2CC2)c(=O)nc1O 1642150940 QLHFSMAVRPIPFL-UHFFFAOYSA-N 375.429 -0.219 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCn1cncn1 1751213089 PXVDHDHIWDYLQQ-GFCCVEGCSA-N 393.477 -0.080 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC1(CCO)CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1756088814 GLWITTNWDIGCCK-ZOFXXKQRSA-N 394.468 -0.291 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779086947 GRWQYDFJVVUKKC-AYBZRNKSSA-N 397.472 -0.942 30 20 GBED C[C@@H](C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)N1CCN(C)CC1 1781094598 JZAAGESLMIKYNC-JXFKEZNVSA-N 389.500 -0.244 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1cncn1)C2 1782017858 OUFVXBABAZYFCD-RDTXWAMCSA-N 389.412 -0.730 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccn3)[C@H]2C1 1785925746 HXNIZPOLNOGFHO-RZXAPVBSSA-N 399.451 -0.072 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)nn1)C2 1793356105 WIHQTEBGGBFELZ-NFFDBFGFSA-N 376.413 -0.024 30 20 GBED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC[C@@H](N)C(N)=O)C2 1800108467 NJVUNWFJGCBBPS-LXTVHRRPSA-N 394.472 -0.273 30 20 GBED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1801168683 KFPSIJNCEZUVGS-YVWYUNDQSA-N 387.436 -0.305 30 20 GBED CS(=O)(=O)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200752 QYPWMMMUZREZJK-NSHDSACASA-N 382.398 -0.466 30 20 GBED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CN)C3)C2)cc1 1829631952 NAHZSJDYPPJVIG-FQEVSTJZSA-N 386.452 -0.094 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cnnn4)C3)C2)C1 1829667068 SRUMATCYUKIXEX-QGZVFWFLSA-N 376.417 -0.904 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C)COC1)CCO2 1830026710 NKFMDTGEXNKDEV-HNAYVOBHSA-N 380.441 -0.482 30 20 GBED N=C(N)SCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831213292 OOYSXWXBMVWOBG-KRWDZBQOSA-N 380.470 -0.517 30 20 GBED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1831225451 UHQZIDXSLSZDJW-LJQANCHMSA-N 387.440 -0.462 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)C)C2)C1 1831392109 BMDXGTVFYZSFJX-XLIONFOSSA-N 395.500 -0.131 30 20 GBED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@@]4(CN(C(=O)CN)CCO4)C3)c2c1 1835553202 OOGUAXPUSZONNT-LJQANCHMSA-N 398.423 -0.537 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835849851 LLAHFXOHMXDRRE-SCLBCKFNSA-N 392.412 -0.776 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1839808248 VXRARKAJTWHGAF-GOSISDBHSA-N 385.380 -0.862 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1840165690 GZLPIZJFWMBNAF-SUMWQHHRSA-N 382.486 -0.263 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC(N)=O)C2)C1 1840167857 RLOXKYWYCBVDQV-DNVCBOLYSA-N 394.472 -0.307 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)OC)C2)C1 1840171363 CLYMTELTRHNQCM-QGZVFWFLSA-N 386.470 -0.075 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)OC)CCO2 1840204278 MURCOURZQQJELY-OHLRXGENSA-N 395.456 -0.664 30 20 GBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1841580525 RNUDMRJKUVZLNS-ZIAGYGMSSA-N 385.486 -0.444 30 20 GBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2ccc3c(n2)NC(=O)CC3)C1 1843233364 KKNXRKHZTWHBGZ-UHFFFAOYSA-N 382.376 -0.129 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC(=O)Nc2ccccc2)c1=O 7299742 XPROUHPHSCOHMB-UHFFFAOYSA-N 385.380 -0.108 30 20 GBED COC(=O)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 268757961 YOBIXLGUMHXZJI-GXFFZTMASA-N 397.409 -0.554 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@]3(C2)N=C(O)N(C)C3=O)CC1 329165319 HKPOVPBYESHAQK-KBXCAEBGSA-N 376.461 -0.491 30 20 GBED CN(CC(=O)N1CCN2C(=O)NC[C@H]2C1)S(=O)(=O)c1ccc(C#N)cc1 332150985 MZQNQHSXXLGNGQ-ZDUSSCGKSA-N 377.426 -0.585 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(=O)n(C)c1 349514271 DSGHYYHOSXUXHE-GFCCVEGCSA-N 390.487 -0.062 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCCN(CC(=O)N(C)C)CC1 373865120 HYGZWMKXZCIBBQ-UHFFFAOYSA-N 375.495 -0.811 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@H](C(=O)N1CCOCC1)C(C)C 409501854 NGCKTHIXHJLTPC-AWEZNQCLSA-N 376.479 -0.434 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 410133580 ITKMWMIHLTXWQS-CHWSQXEVSA-N 382.508 -0.599 30 20 GBED C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 442529986 SXKWDCCIZSFALR-CJNGLKHVSA-N 398.423 0.135 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2ccc(S(C)(=O)=O)cc2)c1=O 559949094 DIEKIMAWHCNUPR-UHFFFAOYSA-N 377.422 -0.005 30 20 GBED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CC[C@@H](CO)O2)c1 566488106 JXKMMWYXHHBWML-NEPJUHHUSA-N 389.455 -0.693 30 20 GBED CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCC(=O)NCC#N 574780695 YPTMVYILGUEFNE-CYBMUJFWSA-N 384.483 -0.157 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1)C(=O)N(C)C 578907027 WJLRZTYMNDUVLH-NSHDSACASA-N 388.471 -0.414 30 20 GBED CCC[C@H](O)[C@@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 581374544 QKDIMOMGJWYBKQ-DFBGVHRSSA-N 397.453 -0.051 30 20 GBED CN(C[C@H]1COCCO1)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 595951502 RFAXQFAEEJYCSF-LBPRGKRZSA-N 389.455 -0.476 30 20 GBED O=C(COc1ccc(-c2nn[nH]n2)cc1)NCCN/C(O)=C1/N=CC=CC1=O 737919063 JGMKSGPPLAJMGW-ICFOKQHNSA-N 383.368 -0.112 30 20 GBED Cn1cnc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(CC#N)cc2)c1 756458911 KKVQZYPCKHVEGE-UHFFFAOYSA-N 391.409 -0.054 30 20 GBED CC(C)[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(N)=O 767678279 YEPPTAHTFUSFBQ-MFKMUULPSA-N 396.425 -0.012 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)CCO1 800101877 YGEAFCUGUPAWHP-AWEZNQCLSA-N 395.441 -0.507 30 20 GBED CCNc1nc(NCC)nc(NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)n1 807950911 YORVQQOOYFHFAH-UHFFFAOYSA-N 390.452 -0.355 30 20 GBED CNS(=O)(=O)NC1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 814274882 FJWDYNSLMXYCFN-UHFFFAOYSA-N 376.435 -0.096 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H]1CC(C)(C)OC1=O 848957337 JLRHLEQEWNUHAD-LLVKDONJSA-N 381.476 -0.483 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)cc1 855472267 XVZDEMXEAGQGSD-KGLIPLIRSA-N 386.451 -0.860 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)[C@H](C)C1 959680199 FIRFPRCTIXJGFW-TUVASFSCSA-N 390.440 -0.899 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cnn(C)c1N 960274275 MWTIRZWSDTWPAH-UQOMUDLDSA-N 375.429 -0.355 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3OCC[C@H]3CC)C[C@@H]2O)nn1 964279220 PKCNJDPEKLIWAF-VDERGJSUSA-N 377.445 -0.029 30 20 GBED N#Cc1ccc(C(=O)NCCN(CCO)C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)[nH]1 1058352617 AFVDPIZZVGZYGT-DUVNUKRYSA-N 376.413 -0.511 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1n[nH]c(C)c1O 1109150843 IQASUAXJUVCUGH-WOPDTQHZSA-N 376.417 -0.229 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cncn1 1110074333 OPEWMBXVNMTZIK-MQYQWHSLSA-N 375.433 -0.600 30 20 GBED COC(=O)NC1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1117916590 DOHCFARXFATECA-MRXNPFEDSA-N 385.424 -0.210 30 20 GBED COCC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 1129271973 SXSRZLXDAAOCNF-KONPQCLYSA-N 383.456 -0.193 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(=O)NC2CC2)C[C@H]1O 1193076605 UVGIDPGNMWUCHF-TUVASFSCSA-N 380.445 -0.883 30 20 GBED COC[C@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)OC 1323632311 LGSFOQXLRSWCCW-JKSUJKDBSA-N 388.424 -0.447 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CCN1C1CC1 1329271491 BTVZXVVDUKEIMR-SJORKVTESA-N 375.473 -0.492 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)CC1 1330419468 PRLMBZADLVRDIP-LBPRGKRZSA-N 388.453 -0.496 30 20 GBED O=C(NCC#CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)[C@@H]1OC[C@@H]2COCC[C@@H]21 1337167342 PZQBDVGUZXJCKM-UXJCHEOYSA-N 392.452 -0.675 30 20 GBED N#Cc1ccc([C@H](N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C(N)=O)cc1 1340940241 OAVBXVTUZNGNII-OAGGEKHMSA-N 378.454 -0.828 30 20 GBED CN(CCN1CCOCC1)C(=O)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1352132815 WZQMREPQTMCJPX-UHFFFAOYSA-N 386.456 -0.608 30 20 GBED N#Cc1cn(CCC(=O)N2CCC[C@H](N3CCOCC3)CC2)c(=O)nc1O 1449363628 TVNMRISREZLLGM-HNNXBMFYSA-N 375.429 -0.076 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCCCN(CC(=O)O)C1=O 1574153881 ZCXWVSLUKHXEIU-LBPRGKRZSA-N 376.435 -0.851 30 20 GBED C#CCO[C@H](C)C(=O)NCCN1CCN(C(=O)[C@@H](C)OCc2cnn[nH]2)CC1 1575013317 NSIFPTYUIKHASC-HUUCEWRRSA-N 392.460 -0.992 30 20 GBED C=CCNC(=O)CN1CCC[C@H](CNC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575104939 XQIZLNYXFVXPBT-WBVHZDCISA-N 389.504 -0.101 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[nH]n3)C[C@@H]2O)cn1 1588369934 CLRVJEJADNOLFT-CABCVRRESA-N 376.380 -0.383 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[nH]n2)nc1 1588406340 TYCIWWNWEQHFCZ-DZGCQCFKSA-N 388.432 -0.378 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1 1588500101 QQOCODBJKLDAPO-PXAZEXFGSA-N 375.433 -0.156 30 20 GBED O=C(C#CC1CC1)NCCN1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1592768182 GDKOVAPNLJEEEW-UHFFFAOYSA-N 382.428 -0.518 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@@H]1O 1602769687 GERDHVVAQQABHG-QJZXMWHDSA-N 386.416 -0.696 30 20 GBED Cc1c(-c2nn[nH]n2)c(=O)n(CC(=O)N(CCC#N)c2ccccc2)c(=O)n1C 1605462280 AUPINLIGKFGPCM-UHFFFAOYSA-N 394.395 -0.018 30 20 GBED C#CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C[C@@H]1O 1757168775 GXRGCTCTRNSCFF-BDXSIMOUSA-N 393.484 -0.642 30 20 GBED CC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)CC1 1778359829 YIYCTOORJQNURX-KSSFIOAISA-N 398.529 -0.701 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781419174 FLBVOPIZIHFHRL-SFHVURJKSA-N 389.460 -0.610 30 20 GBED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CNC(=N)N)CCO3)C2)c1 1782056579 GCKRWDYOWGPBPE-IBGZPJMESA-N 384.440 -0.207 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1783554721 FCHPYVRVUSXXGL-KRWDZBQOSA-N 379.319 -0.109 30 20 GBED CN(C)C(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788678303 XQKNPFOQGQMESK-CPXQMSAISA-N 390.440 -0.234 30 20 GBED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795422005 OFULLVPDGVQNEV-AYRXBEOTSA-N 396.444 -0.277 30 20 GBED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797807868 DJJYHFSNRWRWFT-HIRMHNASSA-N 379.457 -0.970 30 20 GBED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797807869 DJJYHFSNRWRWFT-LORHWOILSA-N 379.457 -0.970 30 20 GBED C[C@H](Nc1ccccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1797975772 AEJWVHDTPNPATM-FLTUCWPJSA-N 386.408 -0.440 30 20 GBED C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2)N1CCN(C)CC1 1799968325 NPDVMNMJUHFTDU-JONQDZQNSA-N 376.457 -0.652 30 20 GBED N=C(N)SCC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1807009701 SHMGCICBZLQTBB-WBMJQRKESA-N 389.437 -0.198 30 20 GBED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)CC2 1826013867 WWSMJHKQPDYFFT-LKEWCRSYSA-N 397.482 -0.029 30 20 GBED COC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830054225 IDEMEOFJIGQUEZ-SFHVURJKSA-N 381.429 -0.054 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1830056210 RLDZCFRUFYDOAG-QGZVFWFLSA-N 376.417 -0.716 30 20 GBED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)N(C)C)C2)C1 1831406441 OVQQMDVKLJKINQ-LJQANCHMSA-N 397.472 -0.486 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1831498803 QSIKMNQQNGXTLM-NVXWUHKLSA-N 387.502 -0.337 30 20 GBED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)COCCO)CC3)CC2)CC1 1834601854 UFBQTXHVNRYOLM-UHFFFAOYSA-N 378.473 -0.129 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1834758662 TZZJIKZGAGKFPZ-SFHVURJKSA-N 384.396 -0.058 30 20 GBED Cn1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)n1 1835353935 HPZNOOZJFIPXPP-GOSISDBHSA-N 375.429 -0.277 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836165851 DRUIYQVKGSGSMU-VQIMIIECSA-N 392.456 -0.069 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ncon4)CCO3)C2)CCC1 1838324446 HPIVINGBQVFHQH-KRWDZBQOSA-N 375.385 -0.167 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1839809759 KJRBVRIPFHUZAP-IBGZPJMESA-N 395.456 -0.011 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1840158474 MVBNTXMEPCIVJT-GUYCJALGSA-N 380.470 -0.206 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOCC)CCO2)C1 1840520976 LQNGRNVUAGZCGJ-QFBILLFUSA-N 382.457 -0.092 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CSCC(=O)OC)C1 1841612858 ZNZOUNIOCWZNLV-WAYWQWQTSA-N 395.481 -0.046 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C[C@H](C)O)C[C@H]3C)CC2)o1 249404963 WYFHNZSQXNEBKN-CABCVRRESA-N 390.488 -0.110 30 20 GBED C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 265316092 MPTLSCGJGUAFRH-LBPRGKRZSA-N 394.453 -0.174 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 268720051 IEIQICNREMGQRG-NHYWBVRUSA-N 385.467 -0.082 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1C(=O)CCC1=O 268874721 VBTDOYNNEFHRFT-LLVKDONJSA-N 378.410 -0.510 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCNC(=O)c2ccn[nH]2)cc1 272822067 NDLKFLSLBPEUGF-UHFFFAOYSA-N 375.410 -0.258 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)NCCOC)c[nH]2)C1=O 281868993 ZICOZZFYYGSUQQ-AWEZNQCLSA-N 384.458 -0.202 30 20 GBED N#Cc1ncn(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 287038765 SUJMMKBWIPUFAZ-UHFFFAOYSA-N 389.441 -0.134 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCn1cc(CO)nn1 290650452 QVGSPMJWBKHKRI-GFCCVEGCSA-N 392.441 -0.485 30 20 GBED CN1CCN(C(=O)CC/N=C(/O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 328727461 GIRLXVGTIYRYPT-CYBMUJFWSA-N 375.495 -0.922 30 20 GBED CC1(C)CN(CC/N=C(/O)N2CCN(C(=O)CN3CCOCC3)CC2)CCO1 328758495 VXCDRAPUDKGJSV-UHFFFAOYSA-N 397.520 -0.512 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H](CNS(C)(=O)=O)C2)CC1 330635857 DRJOAGSVXSHTRB-IAGOWNOFSA-N 399.561 -0.060 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)[C@H](C)[C@H]1C 349461637 KKRAWRUMYRLRDV-ZIAGYGMSSA-N 380.536 -0.094 30 20 GBED Cn1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@](F)(C#N)C2)n1 349485698 ATIUXGLWKUTYQK-GFCCVEGCSA-N 379.439 -0.181 30 20 GBED C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)CCCS(=O)(=O)NCC#N 349487659 XRNUKVGINAUUAL-ZIAGYGMSSA-N 378.520 -0.292 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@H](O)CC[C@H]2C1 349499904 SGANCDXRYJUJOJ-XJFOESAGSA-N 379.504 -0.417 30 20 GBED CC(=O)N1CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)CC1 349542841 YBFJUWVYNXVGMF-CYBMUJFWSA-N 394.519 -0.566 30 20 GBED CCc1nnc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)o1 349597908 GBMZFQIROWCASN-UHFFFAOYSA-N 377.448 -0.061 30 20 GBED CCn1ncc(C#N)c1NS(=O)(=O)CCCCS(=O)(=O)N1CCOC1 349600606 MQNXUDVIBKTCKE-UHFFFAOYSA-N 391.475 -0.084 30 20 GBED CC(C)Oc1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1C#N 372663846 VQRCPBUHZMJGNH-CQSZACIVSA-N 399.407 -0.547 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1 374043615 YTXWXOOPPFAPCY-ZFWWWQNUSA-N 375.356 -0.108 30 20 GBED N#Cc1cc(F)ccc1CS(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 574575952 AZTIVODXLFGRTN-LBPRGKRZSA-N 376.387 -0.289 30 20 GBED CNC(=O)CCNS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 579613671 YQLGNCHGNMZDCG-UHFFFAOYSA-N 386.455 -0.565 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1 592845518 OONWDBDGZWOBBF-SJKOYZFVSA-N 392.437 -0.436 30 20 GBED CC#CC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 594627440 ZFAOVRWZCHLOIK-QWHCGFSZSA-N 385.467 -0.070 30 20 GBED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 609126751 PUELNHVPCQQJDP-MRXNPFEDSA-N 384.440 -0.271 30 20 GBED Cc1cccc2ncc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)n12 755802864 BZUBGPBOWAWDRI-UHFFFAOYSA-N 376.398 -0.647 30 20 GBED C[C@H]1CCS(=O)(=O)CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 762512627 KKWPZUDAPBZYKL-NSHDSACASA-N 385.467 -0.239 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCN1C(=O)CNC1=O 767628340 QLLCWXTZRJEHCA-JTQLQIEISA-N 380.382 -0.680 30 20 GBED C#CCN1CCN(C(=O)CN2CCN(Cc3nc(COC)no3)CC2)CC1 781958986 ZWDNJSJVMODGQA-UHFFFAOYSA-N 376.461 -0.889 30 20 GBED C#CCCS(=O)(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 808279124 UPMSOEPHXQIPMC-OAHLLOKOSA-N 378.516 -0.449 30 20 GBED CC(=O)N1CCN(S(=O)(=O)NC(=O)Cc2ccc(OCC#N)cc2)CC1 813947807 ZAROFWOHLDJWOI-UHFFFAOYSA-N 380.426 -0.343 30 20 GBED C#CCN(CC#CC)S(=O)(=O)CCCS(=O)(=O)Nc1nnn(C)c1C 848960707 LYZRNSHZJPWCDO-UHFFFAOYSA-N 387.487 -0.456 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cc3n(n2)CCO3)[C@H](OC)C1 942204640 XEGJFMOEWXRKIA-REBRKWNGSA-N 376.413 -0.178 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)c3cn(C)nn3)C[C@@H]21 960458773 PRYZFXCUSLIWPW-SYAUCNOPSA-N 375.429 -0.152 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@@H]1O 964615136 IDTFRKGPKGCHCZ-WCVJEAGWSA-N 379.457 -0.332 30 20 GBED N#Cc1cc(C(=O)N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@@]34COC[C@@H]3C4)C2)c[nH]1 990882716 BKDFEUBDQFJUOV-OGIUKLMXSA-N 381.396 -0.304 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(N3CCOCC3)CCC2)C[C@H]1O 1025710420 ONMYBXQFNGTRBB-VQHPVUNQSA-N 393.484 -0.480 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@@H](C)NC(N)=O 1109279936 WEZFCTVFKVBCLW-NDBYEHHHSA-N 380.449 -0.833 30 20 GBED CCCCN1CCOC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109560456 AQWADQJYDHLRKR-QZWWFDLISA-N 377.489 -0.151 30 20 GBED CCNS(=O)(=O)CCNC(=O)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 1117286448 KDODZLVMYOMNGT-OAHLLOKOSA-N 394.453 -0.486 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 1117606017 LQNRJYSABVUGFH-JKSUJKDBSA-N 388.424 -0.318 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCO1 1257321325 SIAUBDJJAGYTLK-DOTOQJQBSA-N 399.451 -0.245 30 20 GBED C[C@@H]1CN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C2CC2)O1 1258384449 WYVBTAOXNCKHMS-BQEFIRIJSA-N 376.413 -0.345 30 20 GBED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN2C(=O)CNC2=O)c1 1318034415 KSVWLIVNFIKFJE-UYRXBGFRSA-N 393.425 -0.010 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 1323191500 BJERHHNEHWMFFX-GDBMZVCRSA-N 397.483 -0.014 30 20 GBED C[C@@H](O)CN(C(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1)[C@H](C)CO 1325083265 LOWRNYWROLISLC-ZIAGYGMSSA-N 392.431 -0.064 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)C1=O 1325094548 WRCJPFULNNTMKG-HNNXBMFYSA-N 391.472 -0.408 30 20 GBED CCC(C)(C)N1CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1326869407 VWWUUFNNJVSERI-NXVVXOECSA-N 391.472 -0.038 30 20 GBED C#CCNC(=O)C1CCN(C(=O)Cc2ccc(S(=O)(=O)CCO)cc2)CC1 1340059132 ZFURMPOSUOVSTB-UHFFFAOYSA-N 392.477 -0.017 30 20 GBED N#C[C@H](C(=O)CCNC(=O)c1ccsc1)C(=O)N1CCS(=O)(=O)CC1 1356016538 GFCACTLILDOZNY-GFCCVEGCSA-N 383.451 -0.166 30 20 GBED Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)cn1 1554333598 PJDNJRMUTDAPLY-ZDUSSCGKSA-N 391.457 -0.015 30 20 GBED Cc1cc(=NC[C@@H](O)CN(C)C(=O)c2ccc(C#N)[nH]2)c(-c2nn[nH]n2)c[nH]1 1581013992 AHHVFBQASUBACF-GFCCVEGCSA-N 381.400 -0.263 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@]1(CO)CCCN(c2cncc(-c3nn[nH]n3)n2)C1 1588503227 XNNQCLLSNRZFFN-DLBZAZTESA-N 388.432 -0.569 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)O)c2cccc(OC)c2)C1=O 1588832756 XHYRCFIZGRNLCT-ZDUSSCGKSA-N 375.337 -0.086 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 1588878994 QIIDFUHIBDJUBB-HNNXBMFYSA-N 375.447 -0.842 30 20 GBED CC(C)C#CC(=O)NC1(CO)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1589387222 HSRMYPCKNDQYIR-UHFFFAOYSA-N 385.428 -0.063 30 20 GBED CN(C[C@H](O)c1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)N1CCO[C@H](C#N)C1 1591052323 WSAJOFMHRAAZSP-KGLIPLIRSA-N 385.384 -0.891 30 20 GBED N#Cc1cc(S(=O)(=O)NCC(=O)NCC(=O)O)ccc1Br 1601091227 WUQMFOIKUQYTAV-UHFFFAOYSA-N 376.188 -0.200 30 20 GBED C#C[C@@H](NC(=O)N1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1)[C@H]1CCCO1 1602689709 UPPZHARVXGRFCO-ZIAGYGMSSA-N 399.459 -0.079 30 20 GBED C#CCN1CCC(C(=O)N[C@@H](C)CCN=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1602718542 XLWCYSVNGKNYLF-ZDUSSCGKSA-N 383.460 -0.270 30 20 GBED C#CCN1CCC(C(=O)NCCN(CC)c2nccnc2-c2nn[nH]n2)CC1 1602718706 ZYAODNSKRMKOIW-UHFFFAOYSA-N 383.460 -0.056 30 20 GBED C=CCCO[C@@H](C)C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 1602840695 COVXCNSSSLFDQC-QWHCGFSZSA-N 388.432 -0.041 30 20 GBED C=CCN1CC[C@H](n2cc(CN3CCOCC3)cc(-c3nn[nH]n3)c2=O)C1=O 1602863615 ZWLJOHAHRXIHON-HNNXBMFYSA-N 385.428 -0.180 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)COCc2ccnn2C)C1 1757008487 DTKPPBNWYLYJSG-FPCVCCKLSA-N 378.429 -0.784 30 20 GBED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)CN)CCO3)c1 1780169287 PUVZVKQEKWJVHY-QFBILLFUSA-N 387.440 -0.704 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)c1 1780599729 GMLRRLPPJGJVAL-FQEVSTJZSA-N 396.451 -0.158 30 20 GBED COC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1781400535 SJPARKOTKVGHMB-CXAGYDPISA-N 384.433 -0.027 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784112758 SGNISGTVUSTZEI-FUHWJXTLSA-N 395.481 -0.304 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1784501424 SQPQHRQBZDKXRF-OWSLCNJRSA-N 395.500 -0.111 30 20 GBED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2C1 1786793026 RAXNMTGGPJIHLP-AVGNSLFASA-N 375.362 -0.733 30 20 GBED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)nn3)[C@H]2C1 1790590210 VNUUUCBUQAARLL-CYDGBPFRSA-N 396.469 -0.141 30 20 GBED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cnnn1 1795856137 KSXNRINCDOWOJP-XOIINTDNSA-N 378.433 -0.755 30 20 GBED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nccnc2C(N)=O)C1 1798355232 UTZKOFXBWKHSBY-BTTYYORXSA-N 385.424 -0.255 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCNC(=O)OC(C)(C)C)C2 1800454047 VKRMJYHQLFSDHZ-XOIINTDNSA-N 395.456 -0.250 30 20 GBED CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812879363 DITAOHUDSSLLPW-MRAWALMUSA-N 386.408 -0.300 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)C3CC3)C2)C1 1831387779 KGLVTMVDHIZBTP-LIRRHRJNSA-N 378.425 -0.540 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1C(N)=O)CCO2 1833307712 KFBGCAKNZDLYTC-SFHVURJKSA-N 387.396 -0.836 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833410742 NRJKUCFWQFTOGX-MEDUHNTESA-N 384.458 -0.486 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccnc4)CCO3)C2)c1 1834385733 AADFHFCUTJHLPR-IBGZPJMESA-N 398.423 -0.147 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839785705 ZTYWSRGGVXZTCP-YOEHRIQHSA-N 386.470 -0.404 30 20 GBED O=C1NC(=O)[C@H](CC(=O)N2CC3(CCCN3C(=O)C/N=C/c3ccco3)C2)N1 1844313560 ISIHEUTWEMNNCM-UJHWAJGWSA-N 387.396 -0.500 30 20 GBED N#Cc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@H]2NC(=O)NC2=O)cc1 1847307422 SEQNIVBCFPDFAF-PMPSAXMXSA-N 395.419 -0.099 30 20 GBED C/N=C(/NCCn1cc(C)cn1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 153581750 UWSSLIUQIDZWLR-UHFFFAOYSA-N 395.489 -0.097 30 20 GBED C/N=C(/NCCn1cc([N+](=O)[O-])cn1)N1CCN(c2cnn(C)c2)C(=O)C1 261834573 VQNGDFRBYXMGSR-UHFFFAOYSA-N 375.393 -0.551 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@H]2[C@@H]2CCCCC2=O)C1=O 269935948 YOKYRHOJCZBKMJ-STQMWFEESA-N 377.397 -0.050 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCN(C[C@@H](C)O)C[C@H]1C)c1cc[nH]n1 281602590 OAODGPRDPMULFQ-ZTGREVJMSA-N 381.433 -0.393 30 20 GBED C=CCCOCCNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 289405408 NUUUBYXMMMSAKD-UHFFFAOYSA-N 375.429 -0.462 30 20 GBED CCS(=O)(=O)N1CCC(N/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)CC1 328776355 FNBAJDDNISFSJJ-CYBMUJFWSA-N 396.535 -0.272 30 20 GBED C=CCN1CCC(NC(=O)N2CCO[C@@H](CNc3nccn(C)c3=O)C2)CC1 333155456 MKCGPVKRGYHIID-INIZCTEOSA-N 390.488 0.253 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCn2cnnc2[C@H]1C 349463428 VBFDDYWINNCMSS-NEPJUHHUSA-N 390.491 -0.404 30 20 GBED CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCn2cncc2C1 349496868 HMCDRQUNXVOVDH-ZDUSSCGKSA-N 389.503 -0.018 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cccc(C#N)n2)CC1 349542272 XMSAXKPIMAHVBQ-UHFFFAOYSA-N 387.487 -0.338 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCCO2)c1C#N 349598011 DMRXIDHXFQQMPD-LLVKDONJSA-N 391.475 -0.180 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3cn4ccccc4n3)CC2)CCO1 409535836 JHGRTAIYVKJFBW-MRXNPFEDSA-N 390.469 -0.079 30 20 GBED CN1CCN(c2cc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)ccn2)CC1 409560756 CSXWBXLOCKAUSW-HNNXBMFYSA-N 380.474 -0.608 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C)CCn3cccn3)CC2)c1C#N 410561067 VYGUCQNECJJYGS-UHFFFAOYSA-N 384.444 -0.396 30 20 GBED C=CCNc1nnc(S(=O)(=O)CC(=O)NC(=O)NCC(F)(F)F)s1 414215626 XYLLYPXTMYNHHI-UHFFFAOYSA-N 387.365 0.298 30 20 GBED C=CCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 459910732 SRLFPHAFWBALDO-KBPBESRZSA-N 388.490 -0.871 30 20 GBED C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 508816696 KETPBFQDWQPXFR-MRXNPFEDSA-N 390.488 -0.051 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)c1 510242105 XVVHVRGELVOCOT-UHFFFAOYSA-N 388.471 -0.888 30 20 GBED N#CCSCC(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 520354318 NBBKAJNOZFCPFC-AWEZNQCLSA-N 375.516 -0.019 30 20 GBED C=CCN(C(=O)CNS(=O)(=O)c1cn(C)c(C)n1)[C@@H]1CCS(=O)(=O)C1 524201940 WGYFBZZWDQWFAW-GFCCVEGCSA-N 390.487 -0.791 30 20 GBED CN(C)c1ncc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n1C 555033765 ZIMGJLRSPNIQBK-UHFFFAOYSA-N 376.442 -0.048 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)CCN(C)C)CC2)c1C#N 557014837 ZEQLBVLYTKXZJG-CYBMUJFWSA-N 375.477 -0.295 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1nc(O)cc(CN)n1 595276217 WCKNJYWBJSEEEV-LLVKDONJSA-N 383.416 -0.277 30 20 GBED CCOC[C@H]1CN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CCO1 599546038 VLZAZBVRIFQHSL-GFCCVEGCSA-N 378.433 -0.482 30 20 GBED N#Cc1ccnc(N2CCN(S(=O)(=O)N3CCS(=O)(=O)CC3)CC2)c1 609158212 OXNFJKQUMVGTOB-UHFFFAOYSA-N 385.471 -0.950 30 20 GBED O=C(NCC#CCNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)[C@@H]1CC(=O)N(C2CC2)C1 681338655 FBNMRWBAKUFSRE-ZIAGYGMSSA-N 386.452 -0.756 30 20 GBED CS(=O)(=O)c1n[nH]c(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 747344157 VIUBZQGFCSPBLF-UHFFFAOYSA-N 398.426 -0.725 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762939292 DQTYHCKDPCNCGC-GHMZBOCLSA-N 381.410 -0.867 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 787774089 DSDYVJQQJVIOOM-UHFFFAOYSA-N 398.402 -0.241 30 20 GBED N#CCNC(=O)CNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 807552380 XMMCVDSMUIEOBZ-UHFFFAOYSA-N 390.425 -0.898 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H](C(=O)O)c2cc(OC)cc(OC)c2)CC1 833365743 QTVWLPYRUVGMGW-MRXNPFEDSA-N 397.453 -0.085 30 20 GBED C#C[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC(=O)OC)cc1 848941462 PTELPPCXEOKIQW-GFCCVEGCSA-N 399.450 -0.326 30 20 GBED CN(C)C(=O)NCCN(C)C(=O)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 867578524 PWLXCARRCYHMMZ-UHFFFAOYSA-N 386.456 -0.064 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2cn3c(n2)CCCC3)CC1 891990231 QIAPIJBMIDANEL-UHFFFAOYSA-N 394.501 -0.443 30 20 GBED C=C(C)CN(CC)C(=O)COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914653366 JYUHQUNUBOFJCB-ZIAGYGMSSA-N 386.470 -0.010 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 938170504 IVEYCPFZZPZAHA-KFGODFMUSA-N 375.469 -0.147 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cnn(C)c1 982419162 XFPOBCGBBMAZAU-JONQDZQNSA-N 389.456 -0.313 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)nn1 996515785 CWKIHOOMMYUESQ-VJFWYMLFSA-N 388.428 -0.641 30 20 GBED C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NC(=O)NC)CC1 1110146342 VWPFUEYXJVOKRX-PMPSAXMXSA-N 375.473 -0.491 30 20 GBED COCCNC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 1122626439 ZKTXPBHLVSDGQI-NSHDSACASA-N 385.398 -0.614 30 20 GBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C[C@@H]1n1ccnn1 1129856177 ZPBRWNBKNRTHBL-FPCVCCKLSA-N 375.477 -0.738 30 20 GBED N#Cc1ncn(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1C#N 1254962288 FJLHLTVTMAERNI-QWHCGFSZSA-N 377.426 -0.179 30 20 GBED N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)n1 1261202090 ZMKRITXHMVNFCQ-ZDUSSCGKSA-N 398.466 -0.772 30 20 GBED C[C@H]1CCCN(CCNC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1321571702 KAZLESJZSXNDRF-PVEMMZBWSA-N 377.445 -0.523 30 20 GBED N#Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 1322161955 JKDHXRKMPAQBLQ-UHFFFAOYSA-N 399.451 -0.823 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@@H]1COC(C)(C)O1 1323240474 YVPCSUBERYAPIM-CHWSQXEVSA-N 388.428 -0.347 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2c(CC)nn(C)c2OC)CC1 1323743768 GDGANPLLVXVVIC-UHFFFAOYSA-N 389.456 -0.405 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCC[C@H]3C(=O)NC3CC3)CC2)nc1 1325617795 JPWMLXQSJOYPLY-INIZCTEOSA-N 396.451 -0.129 30 20 GBED CC(C)(C)N1CCCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1326596839 MTUPTGSODXHWDN-NXVVXOECSA-N 391.472 -0.038 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 1333041546 MTGHOWFDDQVKCS-ITGUQSILSA-N 385.467 -0.311 30 20 GBED C=CCn1c(C2=NNC(=O)C2)nnc1N1CCN(CCOCCOC)CC1 1339055099 LVDCWWDHCKLJHW-UHFFFAOYSA-N 377.449 -0.527 30 20 GBED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)CN1CCN(S(C)(=O)=O)CC1 1343365264 HOTPZDOXFCKACA-ZDUSSCGKSA-N 394.453 -0.080 30 20 GBED C=C(C)Cn1c([C@@H]2CNC(=O)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1346098792 VLGFMUUBFVRBJG-ZDUSSCGKSA-N 382.490 -0.071 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N(C)CCn1cccn1 1348366764 NLWBUUQSURHFGJ-AWEZNQCLSA-N 382.428 -0.260 30 20 GBED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1)C(C)C 1349165394 HPBRKEMXTPIWLL-XHSDSOJGSA-N 390.484 -0.126 30 20 GBED C=CCOCCNC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 1350580193 SQUFUTPPIVNHTD-UHFFFAOYSA-N 379.417 -0.615 30 20 GBED N#Cc1cc(C(=O)NCC2[C@H]3CN(c4cncc(-c5nn[nH]n5)n4)C[C@H]23)c[nH]1 1571119550 CNMQJRODALPEAU-CHWSQXEVSA-N 376.384 -0.031 30 20 GBED C#CCOCCC(=O)NC[C@]1(O)CCN(c2nc(C)cc(-c3nn[nH]n3)n2)C1 1573288404 KNJJUEJCGSKRGT-QGZVFWFLSA-N 386.416 -0.938 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)nc1 1573300922 WLCDTJVWYPLWDG-DZGCQCFKSA-N 388.432 -0.378 30 20 GBED C#CCNC(=O)[C@@H](C)N1CC[C@H](N(CC)C(=O)CCOCc2cnn[nH]2)C1 1574985865 NIOICEHHUREXAG-ZBFHGGJFSA-N 376.461 -0.228 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCN(CC(=O)NCc2cnn[nH]2)CC1(C)C 1575012609 DOASCOGEOHPUSK-DZGCQCFKSA-N 376.461 -0.324 30 20 GBED N#Cc1cc(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3cnn[nH]3)cn2)c[nH]1 1577712478 ODUKNHVHHBNKPF-ZDUSSCGKSA-N 380.368 -0.413 30 20 GBED N#Cc1cnc(N2CCO[C@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)cn1 1581877998 RKUFTIVVLDXLDT-GFCCVEGCSA-N 380.372 -0.508 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)NCc1cccc(-c2nn[nH]n2)c1 1588351103 DYVSNPDJTVZFQI-IRXDYDNUSA-N 383.456 -0.469 30 20 GBED C#CCNCc1cn([C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 1588353911 LGVCRUSSCDJEIZ-CQSZACIVSA-N 380.416 -0.014 30 20 GBED C#CCNC(=O)CN[C@@H]1CCCCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588353984 CKQFVJWVQNXJHU-CQSZACIVSA-N 384.444 -0.081 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1O 1588504129 JCEMOQBPHUIJNC-RKVPGOIHSA-N 390.419 -0.006 30 20 GBED C=CCOCCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O 1588682325 MDMYPPHUOGVVJS-QWHCGFSZSA-N 388.432 -0.305 30 20 GBED C=CCOCCCC(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[nH]n2)nn1 1588682934 UYHCLDWPQGHDBJ-CYBMUJFWSA-N 388.432 -0.039 30 20 GBED C#CCNC(=O)C1CCN(C(=O)NCCNc2ncccc2-c2nn[nH]n2)CC1 1602722222 HKNLWZNSKGJSIR-UHFFFAOYSA-N 397.443 -0.155 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O 1602752914 ITUGHJXRPOSWAQ-PWSUYJOCSA-N 390.404 -0.591 30 20 GBED C=C(CCC(=O)O)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 1602778166 LJEBPPWFPULBBQ-ZIAGYGMSSA-N 389.474 -0.094 30 20 GBED COC(=O)C1CC2(C1)CN(S(=O)(=O)N1CCO[C@H](C#N)C1)C[C@H]2C(=O)O 1604289810 KFCVSKIOUYDHQW-OOLXCHQQSA-N 387.414 -0.959 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1 1609021426 XNXBOMYKYPOSHV-YPMHNXCESA-N 382.380 -0.099 30 20 GBED COc1cccc(C(=O)N2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)c1OC 1611739943 ROOSVJXQEGNPJV-UHFFFAOYSA-N 399.407 -0.075 30 20 GBED CC(C)C[C@H](Nc1c(C#N)c(=O)n(C)c(=O)n1C)C(=O)N1CC[C@@H](N(C)C)C1 1655614973 QUOFYJSXGZLQFX-HIFRSBDPSA-N 390.488 -0.055 30 20 GBED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1750077399 VEPVHNFEHJACSQ-DVOMOZLQSA-N 383.474 -0.073 30 20 GBED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)c1 1778938352 AIYIHSAJTKXPSU-IBGZPJMESA-N 381.392 -0.122 30 20 GBED CCCC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779255773 JZWZGHKHIJXGPO-FZKQIMNGSA-N 379.413 -0.791 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(CO)on3)C2)C1 1780391055 ALSXGXMIMYJUAZ-SCLBCKFNSA-N 377.397 -0.351 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)n[nH]1)C2 1782010225 CRZFDJSGOCISEB-SJKOYZFVSA-N 376.369 -0.669 30 20 GBED Cc1ncc(CC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)s1 1784439732 CPARIDYVHZPTSE-QGZVFWFLSA-N 377.422 -0.088 30 20 GBED COC(OC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786857448 NKNLTIBBHWZWDZ-KKUMJFAQSA-N 396.488 -0.133 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4sccn34)[C@H]2C1 1789139862 WUJSDMHLRDKPHP-OBJOEFQTSA-N 386.433 -0.018 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cccnc13)C2 1793344404 NLRFOJAIIHPAQA-MPTYRVRUSA-N 397.435 -0.029 30 20 GBED CN1N=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)CCC1=O 1793782169 ILCWBOWBSKQKDM-JJLQDPRZSA-N 375.429 -0.266 30 20 GBED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cncn1)C2 1797837487 XOTGYFZSIBKZGB-MOGAYQLZSA-N 386.412 -0.420 30 20 GBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OC(C)(C)C 1799684811 RKHDKWMVZCISQY-LMWOUKEDSA-N 383.445 -0.005 30 20 GBED COC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)ON=C(C)C)C2 1801205286 WXLBBCIOHFDMIQ-XPCVCDNBSA-N 384.433 -0.267 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC2(CCCN(C(=O)CC[C@@H](N)C(N)=O)C2)CC1 1809818698 FFXKZIMXUWGHSJ-HZPDHXFCSA-N 392.500 -0.151 30 20 GBED Cn1ccc(=O)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835359321 CYBHVGLQDFQNQE-LJQANCHMSA-N 388.424 -0.241 30 20 GBED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1837376566 CBXSEDUCSXICLD-KDOFPFPSSA-N 395.460 -0.546 30 20 GBED COCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838735195 YUNYMFBWOVWPFH-SFHVURJKSA-N 376.413 -0.007 30 20 GBED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1)n1ccnn1 1839707405 SPXUDWLDRSKEFY-RHSMWYFYSA-N 376.417 -0.401 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1840165712 HRJWGSZUCTYKSO-CJNGLKHVSA-N 383.474 -0.557 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC(N)=O)C2)C1 1840167858 RLOXKYWYCBVDQV-HNAYVOBHSA-N 394.472 -0.307 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1 1842946698 YGDFSIBIZZNLSY-CYBMUJFWSA-N 380.445 -0.708 30 20 GBED CN(C)C(=O)CN/C(=N/C[C@H]1CCOC1)N1CCO[C@H](c2cnn(C)c2)C1 262285579 KBNZRNQBNHIGFA-ZBFHGGJFSA-N 378.477 -0.136 30 20 GBED N#Cc1ccc(C[C@H](C#N)C(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1 280620662 QEMDRANMDSSVGM-MRXNPFEDSA-N 375.454 -0.327 30 20 GBED COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)c2)nn1 291267164 GVIFGBSPLXCKRM-ZDUSSCGKSA-N 384.352 -0.257 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCn2ccnc2C1 349551635 JDXITAZZBXSFTO-OLZOCXBDSA-N 389.503 -0.319 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)cc1 372628106 ASZCYHOEIDHFLY-UONOGXRCSA-N 397.453 -0.614 30 20 GBED CCn1cc(C#N)c(=O)n(C[C@@H](O)Cn2c(-c3ccccc3)noc2=O)c1=O 414105337 GOODDVCMXRZTSB-AWEZNQCLSA-N 383.364 -0.221 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N(CCN)CCO)C2)c(F)c1 418859282 XUOMKCJGCKJEST-AWEZNQCLSA-N 377.420 -0.438 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3C[C@H](O)[C@@H](CO)C3)C2)c(F)c1 422305755 BZIKMBQFXAMWTR-KEYYUXOJSA-N 390.415 -0.406 30 20 GBED C=CCOc1ccccc1CNC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424512248 ZUJKRPJJNMCXIC-CQSZACIVSA-N 396.421 -0.422 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N(CCO)CCO)n2)c(Cl)c1 429988666 QVAQJUVAVYFWEE-UHFFFAOYSA-N 377.788 0.149 30 20 GBED COCCCS(=O)(=O)N1CCN(CC(=O)N(CCC#N)CCC#N)CC1 431169103 RFOLNRJIEXGEIN-UHFFFAOYSA-N 385.490 -0.374 30 20 GBED Cn1cc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 482661664 JHUSHRIIAQUOCF-INIZCTEOSA-N 380.408 -0.175 30 20 GBED COC(=O)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCO1 487729761 XIKHRGFQTBJZCX-AWEZNQCLSA-N 381.410 -0.107 30 20 GBED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 490412795 UTZYDDJLQNMMAS-HNNXBMFYSA-N 399.451 -0.112 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCCS(N)(=O)=O 504297676 KITMYZHRYCVXDD-NSHDSACASA-N 388.471 -0.590 30 20 GBED Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508543984 SDDOPZRJCAOOLG-ZDUSSCGKSA-N 381.396 -0.587 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCN4CCC[C@@H]4C3)CC2)c1C#N 585725510 SFUKHMHDWKJWHD-JKSUJKDBSA-N 399.499 -0.008 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CCN([C@H]3CCOC3)CC2)CC1 595206052 PNAGSLMDWMBFDA-KRWDZBQOSA-N 398.467 -0.465 30 20 GBED COc1cc(NC(=O)C(=O)N2CC(n3cc(C(N)=O)nn3)C2)c(F)cc1C#N 599969911 CSRBEULZBDFXEX-UHFFFAOYSA-N 387.331 -0.582 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1=O 726042881 NMTROMXHAOSQST-VIFPVBQESA-N 382.373 -0.481 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)C[C@H](NC(N)=O)c2ccccc2C)CC1 728533457 JOTRGQQUSOYTPG-KRWDZBQOSA-N 385.468 -0.012 30 20 GBED N#CCOc1ccc(CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 732069001 YHUGLUCLKLLJTJ-SJORKVTESA-N 393.465 -0.255 30 20 GBED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2cn(C)c(=O)n(C)c2=O)cc1 735205113 ABSKWMDBHFRMOP-CQSZACIVSA-N 384.392 -0.226 30 20 GBED CCn1c(=O)c2ccccc2n(CC(=O)NS(=O)(=O)CCCC#N)c1=O 776122329 QIMZYDZTFBKFND-UHFFFAOYSA-N 378.410 -0.067 30 20 GBED C#CCSCCNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 792992854 MLYRBVBMAISHTQ-UHFFFAOYSA-N 376.438 -0.335 30 20 GBED C#CCCS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 810784871 QTSOCUOQEYUJJU-UHFFFAOYSA-N 386.451 -0.210 30 20 GBED C=C[C@@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 814546543 FZCDCQFOSZOZLY-CYBMUJFWSA-N 386.401 -0.251 30 20 GBED CC1(CNS(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)OCCO1 848955719 HOEHKZFFOMXBJV-UHFFFAOYSA-N 375.428 -0.470 30 20 GBED C#C[C@@H](C)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N=c1nc(C)[nH]n1C 848956225 OGGVEUMHFZGLBJ-LLVKDONJSA-N 397.482 -0.012 30 20 GBED C#CCNc1nc(N[C@H](C)C(=O)N(C)OC)nc(N[C@H](C)C(=O)N(C)OC)n1 858843440 CRNNNMMBVZTTOC-GHMZBOCLSA-N 394.436 -0.443 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2COC)CC1 872515730 UDISRNSWGUCKTG-UHFFFAOYSA-N 387.483 -0.393 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 893231084 SZWCPCWRFFNPQV-KFWWJZLASA-N 384.502 -0.015 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 981460506 LLTYBPGTPDBTGD-HZMVEIRTSA-N 392.500 -0.200 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C)cc2=O)C1 1025458544 ZGHGMAYVLDZFLL-WNOSKKOXSA-N 375.425 -0.034 30 20 GBED Cc1nc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)ccc1C#N 1043791941 WSQWULXLZBQXTA-CAOSSQGBSA-N 385.424 -0.289 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)nn1 1118178553 QOJDJJPOONGPIS-KGLIPLIRSA-N 392.460 -0.530 30 20 GBED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1 1261342713 HUFVLOPUTPREBE-KBXCAEBGSA-N 379.436 -0.394 30 20 GBED N#Cc1ccnc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 1307572123 VYBYUSCANYWVPN-HNNXBMFYSA-N 384.483 -0.412 30 20 GBED Cc1nnc(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1C 1323716376 QNTMJFQPCBOCNT-OAHLLOKOSA-N 395.423 -0.077 30 20 GBED CC(C)CN1C[C@H]2CN(C(=O)C(=O)N3CC[C@](O)(CC#N)C3)CCN2C1=O 1326263250 GUVGFKONBDAWAP-RDTXWAMCSA-N 377.445 -0.532 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1329618634 LWVWLTADGRKPPT-HOTGVXAUSA-N 380.489 -0.151 30 20 GBED COC(=O)c1cn(C2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)nn1 1344599514 PLECMHZOGNTOTH-GFCCVEGCSA-N 384.418 -0.829 30 20 GBED COCCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@@](C)(C#N)C2)CC1 1344857411 XJVHYFHFTHYHGC-SFHVURJKSA-N 379.461 -0.955 30 20 GBED CNC(=O)CCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1345198931 AIJALNZARUWASM-UHFFFAOYSA-N 375.404 -0.012 30 20 GBED N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccco2)CCO1 1505322413 NLTAVTAXCQTTQU-CHWSQXEVSA-N 399.411 -0.019 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(Cc3cn(CC(N)=O)nn3)CC2)cc1 1560669381 MLTYDULJQQCBCU-UHFFFAOYSA-N 389.441 -0.858 30 20 GBED C=CCOCC(=O)N1CCN(C(=O)N2CCN(Cc3cnn[nH]3)CC2)CC1 1575110406 OZRUAWOEEOEAFA-UHFFFAOYSA-N 377.449 -0.611 30 20 GBED C[C@H](C#N)C(=O)N(Cc1cnn[nH]1)C1CCN(CCN2C(=O)CNC2=O)CC1 1575176381 GFNNOXFMWBMRPI-GFCCVEGCSA-N 388.432 -0.691 30 20 GBED N#Cc1nccnc1N1C[C@@H]2C(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H]2C1 1581885299 VXHYPYRQCPKOSM-GHMZBOCLSA-N 376.384 -0.031 30 20 GBED C#Cc1cncc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[nH]n4)n3)C[C@H]2O)c1 1588380353 CEOCVHWDLWJHJM-DZGCQCFKSA-N 391.395 -0.597 30 20 GBED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)C=CC1=O)C2 1782187825 PEILEVZAPAHLIS-VEVIJQCQSA-N 395.481 -0.256 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1783211100 AHXBJYWVQFJTJF-RDTXWAMCSA-N 378.425 -0.192 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(Cl)nc1)CCO2 1783556735 VARXXRKPMZWRNZ-MRXNPFEDSA-N 378.772 -0.339 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@H]4C=CS[C@@H]43)C[C@@H]21 1791077589 LUNVKVPEIHYAFM-WBIFSWSFSA-N 376.434 -0.071 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2 1793362352 NGZJHRHOSXNLHN-QKGCVVFFSA-N 378.433 -0.585 30 20 GBED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)n1cccc1C=O 1795751992 BPFAYSIVQGZVGJ-ZUMXRPEOSA-N 387.392 -0.461 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797744219 ZGGMRZWFMYYTLA-WOTRQLOPSA-N 376.413 -0.864 30 20 GBED CCc1[nH]nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c1F 1800773638 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30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](O)COc2ccc(F)c(F)c2)C1=O 264296332 SXTYUOTYHXYAQE-JTQLQIEISA-N 397.334 -0.203 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](N3CCN(CC)CC3)C2)C1=O 264403731 GOJOJRKQQPAVSR-CQSZACIVSA-N 377.445 -0.798 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N(C)CCCN(C)CCN(C)C)C1=O 297652499 BFEAIDOAIPDKAD-MRXNPFEDSA-N 381.521 -0.426 30 20 GBED C[C@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 299019999 TVRADENKZHVUDC-NUSFMGPTSA-N 382.442 -0.065 30 20 GBED CC(=O)N1CCN(/C(O)=N/CCS(=O)(=O)N2CCSCC2)[C@H](C)C1 330079832 IXKRPGBBMAYCJZ-GFCCVEGCSA-N 378.520 -0.168 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N)C[C@@H](C)N1C 349513500 UOWJASHEVFJDQP-OKILXGFUSA-N 391.519 -0.590 30 20 GBED N#Cc1ccnc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2CO)c1 349514899 GILRGFCBXUCKAJ-CYBMUJFWSA-N 388.471 -0.128 30 20 GBED C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)CCCCS(=O)(=O)NCC#N 349617092 MRKZFDNAMJNSDZ-ZSMADZGOSA-N 385.533 -0.619 30 20 GBED C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)CCCCS(=O)(=O)NC1(C#N)CC1 349627424 WKWMHDOBICLFGX-GFCCVEGCSA-N 392.503 -0.766 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCC(N(C)S(C)(=O)=O)CC1 409577857 ULSWOAMEQUPFBK-UHFFFAOYSA-N 382.508 -0.551 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC[C@H](C(=O)OC)C1CCOCC1 410147068 GZAWMTBTZSYBKM-AWEZNQCLSA-N 377.463 -0.101 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NCCN2C[C@H](C(=O)O)CC2=O)c1 547890977 UGDNHFTVYYTBAL-CYBMUJFWSA-N 395.437 -0.186 30 20 GBED C[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@H](CO)O1 587654807 SSYWHBOTGMQWFK-CZUORRHYSA-N 387.440 -0.354 30 20 GBED CC[C@H](CNS(C)(=O)=O)NS(=O)(=O)c1ccc(C#N)cc1C(=O)OC 593603697 XLCRIJNZNDVLQZ-LLVKDONJSA-N 389.455 -0.049 30 20 GBED Cc1ccc(C#N)cc1S(=O)(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 609632168 RYMDRYUHDZNQIG-ZDUSSCGKSA-N 385.467 -0.162 30 20 GBED COc1cc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)ccc1OCC(N)=O 619707761 DGDBNINWNGDHFZ-LBPRGKRZSA-N 384.414 -0.882 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CC1 732285766 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CC[C@H](C#N)Oc1cccc(CNC(=O)C(=O)N2CCO[C@H](C(=O)NC)C2)c1 1258468288 AFOSNFXHSCCEEP-ZBFHGGJFSA-N 388.424 -0.043 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CC(=O)N(Cc2ccccc2)C1 1323767487 YCRHQEAZDFYVIG-UHFFFAOYSA-N 379.438 -0.468 30 20 GBED C[C@@]1(c2ccc(CNC(=O)C(=O)N3CC[C@](F)(C#N)C3)cc2)NC(=O)NC1=O 1324174070 OAXZORJAVONIAP-ROUUACIJSA-N 387.371 -0.178 30 20 GBED Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)N2CCO[C@H](C#N)C2)cc1 1324948155 LWBYQRPBFKFVIT-CQSZACIVSA-N 394.453 -0.517 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)CC2)c1 1326753943 QHZTUAADINBMBX-CQSZACIVSA-N 382.424 -0.519 30 20 GBED C#CCN1CCC[C@H]1c1nnc(N2CCCN(C(=O)CNC(C)=O)CC2)n1C 1341415737 QKWCCWKTSCBZCT-INIZCTEOSA-N 387.488 -0.240 30 20 GBED C=CCOCC(=O)NCCCN1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 1573343649 RPHRYXNAJDYXHL-UHFFFAOYSA-N 387.448 -0.512 30 20 GBED C=CCCOCC(=O)N1CC(CNC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1575100260 MZWDXISSVMQCCM-INIZCTEOSA-N 376.461 -0.064 30 20 GBED CC(C)(C)[C@@H](CNCC(=O)NCC#N)NC(=O)[C@@H]1CCCN1Cc1cnn[nH]1 1575255990 DYQFYFQUCQDJAB-LSDHHAIUSA-N 390.492 -0.471 30 20 GBED Cc1nn(C)c(N2CCN(S(=O)(=O)CC(C)(C)C#N)CC2)c1-c1nn[nH]n1 1581593487 FVHDHBMPYKDNSD-UHFFFAOYSA-N 393.477 -0.090 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(C)CN(c2ccc(-c3nn[nH]n3)nn2)CCO1 1588505732 WHJDWCVVPXSVBV-SJORKVTESA-N 388.432 -0.305 30 20 GBED CC(=O)NC[C@H]1CN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)CCO1 1588858517 XKOBDILGJNDLON-HOTGVXAUSA-N 383.412 -0.088 30 20 GBED CC(C)(C)C#CC(=O)N1CCC[C@](CO)(N=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1589067610 CUUZDAYHZCJCEJ-SFHVURJKSA-N 384.444 -0.107 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCc3cc(-c4nn[nH]n4)ccc32)C1 1609494420 CZSAUUKMHGCBHP-RDTXWAMCSA-N 381.396 -0.153 30 20 GBED C[C@@H](CC(=O)NCCN1CCNC1=O)/N=C1/NS(=O)(=O)c2ccccc21 1644863837 UZTPMPKSVZHPSG-NSHDSACASA-N 379.442 -0.355 30 20 GBED CNC(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014978 LQROIJWZXUXAQY-BAOGCXAUSA-N 379.461 -0.576 30 20 GBED 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O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CNC(=O)C3)sc2C1 1825203248 HWAAFKUYAMEPOZ-BDAKNGLRSA-N 376.394 -0.721 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1831425328 CDRJWPGEJRTYLS-SCLBCKFNSA-N 394.428 -0.224 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1831485914 OAFADFVRFHUZAD-SUMWQHHRSA-N 397.501 -0.161 30 20 GBED Cn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)c2c1CCC2 1834760306 ITFPZRKAJWUPPV-IBGZPJMESA-N 387.440 -0.108 30 20 GBED COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1834848430 MCLWWYBLCXHINC-IBGZPJMESA-N 378.425 -0.191 30 20 GBED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H](C)NS(=O)(=O)CC)CC2)CC1 1836847476 UDHIFYGHSGTNJY-AWEZNQCLSA-N 399.513 -0.054 30 20 GBED Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)o1 1840039746 GUJKOWMJOTWROI-GOSISDBHSA-N 376.365 -0.254 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCN(C)CC3)C2)C1 1840173720 NOVDVUCZCFVBTQ-LJQANCHMSA-N 380.489 -0.734 30 20 GBED C#CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)CC1 51469822 SDTFWCVVXUFDCI-UHFFFAOYSA-N 393.513 -0.093 30 20 GBED C/N=C(/NCc1cnc(N(C)C)n1C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 261775939 OQIXFCHXKYBRMJ-GOSISDBHSA-N 390.492 -0.128 30 20 GBED C/N=C(/NCc1cccc(S(N)(=O)=O)c1)N1CCS(=O)(=O)C(C)(C)C1 261978919 OKMQJHQSXANNGY-UHFFFAOYSA-N 388.515 -0.082 30 20 GBED C#Cc1cccc(NC(=O)CNC(=O)NCCNS(=O)(=O)NC(C)C)c1 276959877 CZJABYXOEUFOII-UHFFFAOYSA-N 381.458 -0.262 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC)CNS(C)(=O)=O)cc1 295701543 VOMBWCLFDWMFOS-ZDUSSCGKSA-N 387.483 -0.344 30 20 GBED C#CCN(C)CCCNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 297528327 DGHNEEHBVBRYMH-UHFFFAOYSA-N 387.488 -0.230 30 20 GBED C[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)NC2(C#N)CC2)CC(=O)N1 349485152 ZSDBHITUJOWSOL-NSHDSACASA-N 398.466 -0.470 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 349488943 GJFSXINJRBSBPT-MELADBBJSA-N 379.504 -0.416 30 20 GBED CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](CO)C1 349523209 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30 20 GBED C=CCn1nnnc1SCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 505858491 FCIAQQPXJLATJJ-LBPRGKRZSA-N 386.503 -0.718 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@]1(O)CCN(C)C1 547289829 XSNSMTFXVRLUPL-SFHVURJKSA-N 376.413 -0.295 30 20 GBED C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 562698101 DVBJJDJLESYGSI-HOCLYGCPSA-N 387.440 -0.400 30 20 GBED Cn1[nH]cnc1=NS(=O)(=O)c1cccc(S(=O)(=O)NCC2(C#N)CC2)c1 563820337 FTBVINHUORARHA-UHFFFAOYSA-N 396.454 -0.380 30 20 GBED CN(C)CCCOc1cnccc1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 580491789 UFMBVTLFOGSYNR-HNNXBMFYSA-N 383.474 -0.029 30 20 GBED C[C@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 594627429 ZBDWQJPDTALNSP-LADRHHBVSA-N 379.485 -0.466 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCC1=NNC(=O)C1 597664514 KCNYWHLCJJTGCX-LLVKDONJSA-N 377.426 -0.003 30 20 GBED COCCN1CCN(C(=O)C(=O)Nc2cc(OC)c(C#N)cc2F)CC1=O 599964594 UVLDYJVCOWLREL-UHFFFAOYSA-N 378.360 -0.038 30 20 GBED COCCN1CCC[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 729983118 LUVWLVMKEYQQGZ-ZDUSSCGKSA-N 380.470 -0.048 30 20 GBED C#CCNC(=O)CN1CCN(CCCN2C(=O)CS/C2=C/C(=O)O)CC1 736077159 YYXLQYRMRXFZHM-LFIBNONCSA-N 380.470 -0.755 30 20 GBED Cn1c(N)c(C=NNc2nc(Br)cn3ccnc23)c(=O)n(C)c1=O 749861894 DSPXJBFJGWXKBZ-UHFFFAOYSA-N 393.205 -0.083 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 765407049 XEWZSLYSJXFOIU-HNNXBMFYSA-N 394.472 -0.484 30 20 GBED C[C@H](CC(=O)NCCNC(=O)N(C)C)/N=C1/NS(=O)(=O)c2ccccc21 777445344 OBEVHVWEHZZHDP-LLVKDONJSA-N 381.458 -0.109 30 20 GBED Cn1nc(C(=O)N2CCN(CCOC(=O)c3c[nH]c(C#N)c3)CC2)ccc1=O 779205242 UNKZJOQNNFKFCC-UHFFFAOYSA-N 384.396 -0.405 30 20 GBED C#CCC[C@@H](O)CNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NCC)cc21 799286516 IAARXZDQFBZUIQ-CQSZACIVSA-N 393.465 -0.236 30 20 GBED C[S@](=O)CCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 804993195 KJFPOWONVTZGAN-RXBISOJRSA-N 376.438 -0.335 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 823850991 XHXZHGSWNQCGEO-KRWDZBQOSA-N 397.439 -0.816 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCN1C(=O)N[C@H](C)C1=O 837582183 DRPSUWZJJMGVER-GHMZBOCLSA-N 394.409 -0.291 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC1(C(N)=O)CCCC1 848956068 LYUQWUHUVDLABT-UHFFFAOYSA-N 386.455 -0.435 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)C[C@@H](CC(C)C)OC)CC1 872515532 PMZIREZYUWMQTG-CQSZACIVSA-N 381.520 -0.538 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc32)CC1 913788608 JQUNNALOADPTCO-HNNXBMFYSA-N 376.438 -0.527 30 20 GBED Cn1c(=O)c2c(ncn2CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2)n(C)c1=O 916899419 OSXZHXOFOGOGKT-GFCCVEGCSA-N 380.364 -0.219 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C1 977192602 YZLLIBNMLYXPOO-KDELZDPKSA-N 377.441 -0.427 30 20 GBED N#Cc1ccc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)nn1 1043834468 FAIYQHDZRNCQCN-KISBBLTOSA-N 385.424 -0.184 30 20 GBED C[C@@H]1CCO[C@@H]1C(=O)N1CCN(c2cncc(C#N)n2)[C@H]2CS(=O)(=O)C[C@H]21 1054788091 PEVGMOTVPORAHZ-UJDVCPFMSA-N 391.453 -0.413 30 20 GBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)C1 1102452974 SNIBXTIAHKDJLB-YWTNHNAXSA-N 387.484 -0.278 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1CC(=O)N(C)C1 1110616421 HAVOKIWUCPVFAE-JJXSEGSLSA-N 375.473 -0.052 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1(S(C)(=O)=O)CCC1 1111202255 MIDFEBTYJNVNSX-YJNKXOJESA-N 381.498 -0.187 30 20 GBED CN(CCNS(C)(=O)=O)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O 1116054779 CTPDHLATBHBCCK-UHFFFAOYSA-N 379.442 -0.239 30 20 GBED Cn1nc(Br)c2c(=O)n(CC(=O)N3CC(O)(CC#N)C3)cnc21 1116867993 QQLKZZMRZWVLEU-UHFFFAOYSA-N 381.190 -0.621 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([S@@](=O)CC)C1 1117535345 NLWKFXSIZLCBHT-PSVOKBTDSA-N 378.516 -0.101 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCO[C@@H](C(F)F)C1 1119071416 LNYZJVVLTUIVJL-WCQYABFASA-N 394.382 -0.122 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)CC1 1261863334 XPBQLNQNMWHHTP-INIZCTEOSA-N 375.473 -0.191 30 20 GBED C[C@@H](CC(=O)N(C)Cc1nc(=O)o[nH]1)/N=C1/NS(=O)(=O)c2ccccc21 1299929451 PZSSBSGRNHRNCI-VIFPVBQESA-N 379.398 -0.161 30 20 GBED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)NCC#Cc2ccccc2)CC1 1322987582 DWYZOXWTPXDBDG-UHFFFAOYSA-N 384.436 -0.649 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H](C)c2nnc3ccccn23)CC1 1323201562 DXQBFWZLFMOTMI-ZDUSSCGKSA-N 382.424 -0.106 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN(C[C@H]3CCOC3)CC2)C1=O 1326818730 XOBUMAZRMDNAON-WBVHZDCISA-N 392.500 -0.151 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCC(N(CC)S(C)(=O)=O)CC1)[C@@H]1CCCO1 1329626983 SDPBGXFGVWUACV-CABCVRRESA-N 385.486 -0.444 30 20 GBED C=C(C)Cn1c(-c2cn(CCO)nn2)nnc1N1CCN(CCOC)CC1 1341838691 QXEJNVOKTUALTL-UHFFFAOYSA-N 376.465 -0.127 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N(CCCOC)[C@H]2CCS(=O)(=O)C2)nn1 1349044513 ATIGDXVPRUVSIM-AWEZNQCLSA-N 399.473 -0.868 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2[C@@H]2CC[C@H](SC)C2)CC1 1352558028 NDUPTJQVYXIENO-OLZOCXBDSA-N 385.519 -0.281 30 20 GBED C#CCCCCC(=O)N1CCN(CCc2cnn[nH]2)[C@H]2CS(=O)(=O)C[C@H]21 1574867773 YTZKIQROORZYHR-JKSUJKDBSA-N 379.486 -0.149 30 20 GBED C=C1CCC(C(=O)NC[C@H]2CN(CC(=O)NCc3cnn[nH]3)CCO2)CC1 1575061070 APJZFZARLVYSLX-INIZCTEOSA-N 376.461 -0.016 30 20 GBED CN[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1578585514 YHVGCPIXGCZYDE-MCIONIFRSA-N 399.521 -0.185 30 20 GBED N#C[C@@]12CN(C(=O)[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C[C@H]1CS(=O)(=O)C2 1581859254 CRVCHUOWCWXVLV-ZENOOKHLSA-N 388.409 -0.703 30 20 GBED C#CCN1CCC(C(=O)N[C@@H](C)CN(C)c2cnc(-c3nn[nH]n3)cn2)CC1 1588351838 MPUPAERXLIPGMN-ZDUSSCGKSA-N 383.460 -0.057 30 20 GBED N#CCNC(=O)CN1CCC[C@H]1CCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1592678476 YIHMAQPTHJGLKO-GFCCVEGCSA-N 385.432 -0.191 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCC(n2cc(C(=O)O)nn2)CC1 1599235943 YMLJYLKWUAOUTC-UHFFFAOYSA-N 386.434 -0.280 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C(=O)O)[C@@H](C(=O)OC)C2)cc1 1602726270 OLRFJLNENVQUJO-KBPBESRZSA-N 394.405 -0.456 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CC[C@](F)(C#N)C1 1609125793 QBCJKYGNBOBMED-BONVTDFDSA-N 393.404 -0.002 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(c2nn[nH]n2)CC1 1632650961 MHOJITSVHKSHLS-UHFFFAOYSA-N 375.414 -0.356 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)c1 1782665330 BMQUZXKGVBQEOY-LJQANCHMSA-N 396.407 -0.413 30 20 GBED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1783890614 SWIQVKRIKHCYBB-YJBOKZPZSA-N 384.546 -0.228 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1785266652 YLOBFLBWXGQCJI-LJQANCHMSA-N 390.367 -0.151 30 20 GBED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1 1786701047 HRSNVPFDYRTTHF-QPSCCSFWSA-N 385.486 -0.049 30 20 GBED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 1786706375 OYDARAJULAWSPM-AVGNSLFASA-N 386.412 -0.527 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C[C@@H]21 1790790749 BCZIGVJWJDOXEH-NOLJZWGESA-N 391.449 -0.288 30 20 GBED Cc1[nH]nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1F 1791074362 UEPBXRHSILTVNL-SRVKXCTJSA-N 378.360 -0.461 30 20 GBED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)C(=O)C(=O)O)C2 1793568080 PARUUJUIZJYUDI-YIYPIFLZSA-N 379.413 -0.794 30 20 GBED CN(CC(=O)N1CC[C@H](CNC(=O)CC#N)[C@@H]1c1cccnc1)C(=O)C(=O)O 1806289563 PJQWJTWPFLQAMU-CJNGLKHVSA-N 387.396 -0.456 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)n4cnnn4)C3)C2)C1 1829675054 OPNWIOVZBDAOCH-KSSFIOAISA-N 390.444 -0.343 30 20 GBED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=N)N)C2)C1 1830638857 CXXZWNYEEYAXRA-LJQANCHMSA-N 393.488 -0.306 30 20 GBED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC=O)CC2)CC1 1833466716 LYSIKAQQJYPMEF-HZPDHXFCSA-N 392.500 -0.269 30 20 GBED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834761113 QKORDYOJXHRFRX-RHSMWYFYSA-N 376.417 -0.716 30 20 GBED CC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835355120 UQUOXSIKLJTIMK-GOSISDBHSA-N 380.445 -0.339 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1836476560 CSZAJXULJNEDBH-RLFYNMQTSA-N 383.514 -0.075 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1839844472 KLWSMZNSWVPBTA-DRMAHVMPSA-N 381.473 -0.622 30 20 GBED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)C1(O)CCC1 1840039771 ABQNQSDLHBKNSB-RDTXWAMCSA-N 394.424 -0.918 30 20 GBED Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)o1 1840160123 XKVFYHYLGLACKI-BZNIZROVSA-N 384.458 -0.305 30 20 GBED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840921807 SKYGQCVMTRAKQC-OAHLLOKOSA-N 390.387 -0.678 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)n2)C1 1843356680 VFEFKHZKPWZPGX-PLNGDYQASA-N 387.396 -0.437 30 20 GBED Cn1cc(S(=O)(=O)NCC(=O)OCC(=O)N(CC#N)c2ccccc2)cn1 108759507 VQWNAYAQOMGTIT-UHFFFAOYSA-N 391.409 -0.202 30 20 GBED Cn1c(CO/N=C(\N)CN2CCN(c3ccccc3)CC2)cc(=O)n(C)c1=O 193718552 GJOSQCOKPBHABQ-UHFFFAOYSA-N 386.456 -0.305 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2noc(CCCC(=O)OC)n2)c1=O 264619228 GINXWTMGBOZZOX-UHFFFAOYSA-N 391.384 -0.529 30 20 GBED C=CCSCCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 265498726 DCRFWEJVZROOJM-UHFFFAOYSA-N 377.426 -0.394 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)N1CCOCC1 271947980 CSNGPQBXDSAGGS-GFCCVEGCSA-N 380.426 -0.800 30 20 GBED N#Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 273606656 OHIKHSISUGULFX-SNVBAGLBSA-N 376.435 -0.109 30 20 GBED CCn1c(=O)/c(=C\c2cccc(OC)n2)s/c1=C(/C#N)C(=O)NCCOC 276972165 VOBJVUGMDWCDTF-JJWBZMIMSA-N 388.449 -0.401 30 20 GBED CC[C@H](CNS(C)(=O)=O)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 295520919 DPULVAKVNWQXMM-GFCCVEGCSA-N 388.471 -0.719 30 20 GBED CCN(C/C(O)=N/[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2cnn(C)c2)C1=O 329001310 VYLUQPMFQKXHPZ-TZMCWYRMSA-N 383.474 -0.009 30 20 GBED CCN(C)C(=O)[C@H](C)/N=C(/O)N1CCO[C@H](CNc2nccn(C)c2=O)C1 330999494 DYJYGKLFCLKSPA-QWHCGFSZSA-N 380.449 -0.326 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCCS(=O)(=O)N1CCNC(=O)C1 349582167 HLJHCZUGYOUWDV-UHFFFAOYSA-N 380.492 -0.908 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1=O 410119237 XIYWJQICHSBOJN-AWEZNQCLSA-N 379.438 -0.196 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3CCCO[C@H](CN)C3)CC2)c1C#N 423703909 CVNSZNHKLWNKQZ-CYBMUJFWSA-N 392.485 -0.452 30 20 GBED C=CCN1C(=O)c2ccc(C(=O)N3CCS(=O)(=O)[C@@H](C(=O)O)C3)cc2C1=O 424244402 NXAOVEFSOBFKLX-CYBMUJFWSA-N 392.389 -0.208 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)NCCNS(=O)(=O)c2cccnc2)cc1 474514241 MLZUOPYUHAPJBG-UHFFFAOYSA-N 387.421 -0.222 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cnn(CC(N)=O)c1 480807206 VWDNZKKFNBHYJW-JTQLQIEISA-N 376.398 -0.454 30 20 GBED C=CCNC(=O)NC(=O)CN1CCN(CC(=O)NC(=O)NCC=C)[C@@H](C)C1 506212331 YBNFTGTZXOJWQC-ZDUSSCGKSA-N 380.449 -0.984 30 20 GBED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(OC)n2)c1=O 566831335 CQRAEEZUEMPEDW-UHFFFAOYSA-N 388.449 -0.401 30 20 GBED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N[C@@H](C(=O)NC)c1ccccc1 569511037 BKALUBFGUXBUMR-CYBMUJFWSA-N 393.425 -0.453 30 20 GBED C[C@H](C[S@](C)=O)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 575935394 RQNOPFDNAYKVPJ-XFNZEKPQSA-N 393.512 -0.124 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@@H]2C(=O)OC(C)(C)C)C1=O 597833854 NEIDKAKXESMBOH-LLVKDONJSA-N 381.385 -0.468 30 20 GBED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 735415890 ALBASIYTSAJJGO-JTQLQIEISA-N 384.443 -0.375 30 20 GBED N#CCN(CC(=O)O)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 739078448 HEKYPNLAVBVUPF-UHFFFAOYSA-N 387.439 -0.252 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 745589885 RHUBJENZDJWRQZ-SNVBAGLBSA-N 397.409 -0.497 30 20 GBED C[C@@H](C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)n1nnnc1C(C)(C)C 755683037 ZLDSYNHTLGPWFO-QWRGUYRKSA-N 382.446 -0.503 30 20 GBED N#CC1(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CCC1 786360912 OICWHOSYAHNWOZ-YIKOMLBNSA-N 375.381 -0.355 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)[C@@H]1CCCO1 809305445 CZZKQMXLDDDGNB-ILXRZTDVSA-N 397.439 -0.542 30 20 GBED CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NS(=O)(=O)CC(N)=O 847678897 JJMNOYHFUKBUDI-JTQLQIEISA-N 376.435 -0.105 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1=O 854879703 TZUCUCIEEAHZQR-GHMZBOCLSA-N 396.400 -0.940 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 1022345177 PAUKPBIHMFQMBK-HZMVEIRTSA-N 390.484 -0.541 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1(O)CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 1043222573 QQRAFXJNCGWDJF-UGUYLWEFSA-N 393.484 -0.051 30 20 GBED COCCN(CCC#N)C(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 1116709577 NAAVLPLUKSMWPB-UHFFFAOYSA-N 378.433 -0.458 30 20 GBED C=CCn1c(Cc2noc(CN3CCNCC3=O)n2)nnc1N1CCOCC1 1118184133 VUUVHVBSSSJIOY-UHFFFAOYSA-N 388.432 -0.794 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 1261123972 SNLUUDMEZWPIGH-CQSZACIVSA-N 385.486 -0.389 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN2C(=O)N(CC(C)C)C[C@H]2C1)[C@H]1CCCO1 1323589352 ZUPSCMLPRBAUHV-OWCLPIDISA-N 376.457 -0.112 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCc1ccccc1NS(C)(=O)=O)[C@H]1CCCO1 1323782508 SVQCSORXCXYBQC-UKRRQHHQSA-N 379.438 -0.029 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCOCC(F)F)CC2)c1C#N 1327482839 IQRYKNHGQQLLME-UHFFFAOYSA-N 384.387 -0.353 30 20 GBED N#Cc1ccccc1N1CCCN(C(=O)C(=O)N2CC[C@H](NC(N)=O)C2)CC1 1330993456 HMBBBHYWHNKUOR-HNNXBMFYSA-N 384.440 -0.134 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 1331106911 NDIAINGLDJHYMI-AWEZNQCLSA-N 390.484 -0.262 30 20 GBED N#CCCN1CCN(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 1331110578 NSJULCUAJQNMNI-IRXDYDNUSA-N 398.529 -0.288 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCCc1cnn(C)c1 1341743854 PYNPLRRKUOJGFL-AWEZNQCLSA-N 396.455 -0.132 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1CC[C@H](N2CCCC2=O)C1 1342046250 BCVBOGWPEOZCHF-ZDUSSCGKSA-N 399.455 -0.270 30 20 GBED C=C(C)COCCNC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 1343168355 HKOWRLONNGQGSS-UHFFFAOYSA-N 380.489 -0.148 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)nn1 1349046287 RHCYKSNVBKYESW-CQSZACIVSA-N 398.489 -0.599 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)CC1 1473537301 UQTAAQMFIKLYTN-YESZJQIVSA-N 398.529 -0.433 30 20 GBED C=CCCn1cc(C(=O)N(C)CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)nn1 1573341105 HAWFRQBLEAIRKY-UHFFFAOYSA-N 384.404 -0.136 30 20 GBED C=CCOCC(=O)N(Cc1cnn[nH]1)C1CCN(C(=O)CNC(=O)CC)CC1 1575108271 JCYFVZAMQOPFMM-UHFFFAOYSA-N 392.460 -0.147 30 20 GBED N#Cc1cc(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[nH]n3)nn2)c[nH]1 1581865017 AVFQDMRWCYVOSA-LBPRGKRZSA-N 380.372 -0.508 30 20 GBED C#CCOCCC(=O)N1CCO[C@H]([C@@H](C)N=c2cc[nH]cc2-c2nn[nH]n2)C1 1588359450 OOMFTTFHAVDIAW-CJNGLKHVSA-N 385.428 -0.249 30 20 GBED C=CCNC(=O)NC(C)(C)C(=O)NC[C@@H](C)Nc1cncc(-c2nn[nH]n2)n1 1588658445 KFXCCQPFWIZVHC-SNVBAGLBSA-N 388.436 -0.163 30 20 GBED N#CCNC(=O)CN[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C12CCC2 1592678072 NUKRUWNNFPZGSA-QWHCGFSZSA-N 383.416 -0.535 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H](C(=O)O)[C@H]2CCOC2)cc1 1601111485 GBKPMACBQMJOMV-JSGCOSHPSA-N 381.410 -0.310 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Cc2c(C)cc(-c3nn[nH]n3)cc2C)CC1 1602722252 IKPQFXMIHIWYIP-UHFFFAOYSA-N 395.467 -0.080 30 20 GBED N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCOC2)CCO1 1712882594 DSOLEWYCDBEPNQ-ACJLOTCBSA-N 399.411 -0.194 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)CCC1 1778851199 NGHSFPXKNLZKKY-SFHVURJKSA-N 387.444 -0.157 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780419910 YQNDFZYCUSZOBC-INIZCTEOSA-N 376.325 -0.546 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1781391265 SCCLPEHNHYGYBL-QWQRMKEZSA-N 380.445 -0.104 30 20 GBED CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)o1 1783563836 BUNRJRZYTUYTJJ-GOSISDBHSA-N 389.364 -0.231 30 20 GBED Cc1[nH]nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1F 1785764779 AEDLZWUNFYRBSK-SRVKXCTJSA-N 378.360 -0.461 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)C[C@@H]21 1788575024 RPYUEVGJBJUJLD-JURCDPSOSA-N 392.456 -0.585 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(CO)on3)[C@H]2C1 1789377339 XHSAIWXDYMOUGS-RMRKRWHISA-N 391.424 -0.202 30 20 GBED C=CC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)C[C@@H]21 1790828561 SASDGLIVYQWQCW-QXKUPLGCSA-N 380.489 -0.229 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]nnc1C 1795978131 YVKUKDWUEICJFZ-XFMPKHEZSA-N 377.445 -0.111 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccn2n1 1796098283 NBMXYJBQDZUOQV-PNBKFKSVSA-N 397.435 -0.029 30 20 GBED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2 1797816060 ZWNBGPYIWVZYNO-AVHWMUCRSA-N 399.444 -0.886 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncon1 1798351500 IZDAWEUCTXHMRG-CLLJXQQHSA-N 376.417 -0.445 30 20 GBED CC(=O)Nc1ccccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778508 CUOHCMRNPLLCNT-HBCWATKFSA-N 399.403 -0.064 30 20 GBED CC(=O)N1CCN(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)S)CC1 1800985409 GSTJDERYWDOUDR-FAYQHZLMSA-N 398.529 -0.942 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)Cn2ccnn2)[C@@H]1c1cccnc1 1812879891 VSGFNMKTAGDBJN-KBXCAEBGSA-N 382.380 -0.533 30 20 GBED N#CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1816747805 BIICDESDFIRPNZ-CQSZACIVSA-N 378.433 -0.398 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CN)sc2C1 1817071057 KAFHQGREIMJPTN-GBIKHYSHSA-N 381.502 -0.086 30 20 GBED C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1)n1ccnn1 1825670473 DEQUWBMTANTEIL-NXEZZACHSA-N 388.409 -0.004 30 20 GBED CCCNC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1831196806 DIFZVGJWSBZESE-GOSISDBHSA-N 380.445 -0.337 30 20 GBED CN1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1832059675 XUZQLWUYYJICMW-KXBFYZLASA-N 376.457 -0.159 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1832458652 UQHSSCOCIFKNTL-RHSMWYFYSA-N 385.486 -0.504 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835435245 OEOMGUBSOCJDQK-KDOFPFPSSA-N 398.460 -0.668 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836206526 QOHPGNPVNHYCSA-MAUKXSAKSA-N 393.444 -0.674 30 20 GBED CC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838752581 KUXGGMJIIBQLEK-UHFFFAOYSA-N 379.413 -0.791 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1839807520 FQOFQWQPSSFCRC-GOSISDBHSA-N 390.396 -0.599 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1839808937 LJFBBJQEVWZMPQ-GOSISDBHSA-N 375.429 -0.264 30 20 GBED CCC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839829265 SSBZQUDJEVOHFX-LJQANCHMSA-N 394.472 -0.296 30 20 GBED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)(C1)C2 1840004243 IOUJTQZFXSGNPV-CTWPCTMYSA-N 391.424 -0.300 30 20 GBED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1cccc1 1840043925 CHFMSYIKJPDCJE-DNVCBOLYSA-N 389.408 -0.407 30 20 GBED COC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840323190 VUASUDNUQUJMFJ-GOSISDBHSA-N 394.428 -0.507 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841848231 XEKQNIGQUSMNFC-UHFFFAOYSA-N 392.412 -0.749 30 20 GBED C=CCNC(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 10069608 BMLIBIZCOMQRDR-UHFFFAOYSA-N 384.410 -0.028 30 20 GBED CC/N=C(/NC[C@@H](C)N1CCN(C)CC1)N1CCN(c2cnn(C)c2)C(=O)C1 261691431 IODORODIFNITMD-MRXNPFEDSA-N 390.536 -0.330 30 20 GBED CSCCn1c(=O)/c(=C\c2cnn(C)c2)s/c1=C(\C#N)C(=O)NC1CC1 269719505 BMNQEVVYJOLTJR-AANPPSTGSA-N 389.506 -0.212 30 20 GBED C[C@H](O)C(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 270786213 BFPUPHNWYMSGST-STQMWFEESA-N 394.453 -0.723 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCC1(C(N)=O)CCOCC1)c1cc[nH]n1 277840457 ITDUFKGPNALESQ-FYJGNVAPSA-N 381.389 -0.908 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 292368935 SBJZRRPJUGXIAV-BBWFWOEESA-N 392.500 -0.151 30 20 GBED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)NCC1(C)C 349497827 QREQEVLENFODTF-GFCCVEGCSA-N 394.519 -0.616 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H]([C@@H]2CCOC2)C1 349500312 PXBTXWXWKPQOIQ-UONOGXRCSA-N 379.504 -0.150 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)N2CCCOCC2)n1 349520656 KFVKIYBPIGFJFB-UHFFFAOYSA-N 391.475 -0.524 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCSC2)nc1 349557799 ZSSQGJIZCLYBOP-LBPRGKRZSA-N 390.512 0.510 30 20 GBED COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C#N)cc1OC 484528124 BTVDXLIBFPZYMK-LLVKDONJSA-N 388.423 -0.472 30 20 GBED CS(=O)(=O)N1CC(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 489530469 DNOMVPYHMJEREJ-UHFFFAOYSA-N 378.458 -0.324 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCOC[C@H]3CCCO3)CC2)c1 552363591 BWGYYYCETIOLLJ-MRXNPFEDSA-N 387.440 -0.086 30 20 GBED CS(=O)(=O)N1CCN(CCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 619362518 BQQFDFQDXIAEPY-KRWDZBQOSA-N 389.481 -0.066 30 20 GBED CN(C)C(=O)COC1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 752740185 LGXPUOJEOSDCLR-UHFFFAOYSA-N 394.453 -0.569 30 20 GBED C[C@H](C(=O)NC1CC1)N1CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 754973565 MMZUSAVJAXLGOT-GFCCVEGCSA-N 377.470 -0.005 30 20 GBED Cn1cc(S(=O)(=O)NCC(=O)OCc2cc(O)n3ncc(C#N)c3n2)cn1 782858398 SSMRBWODBUOGDJ-UHFFFAOYSA-N 391.369 -0.938 30 20 GBED C#CCn1ccc(CN(CC)C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)n1 790117588 AMMUXTBTJUJPOJ-HOCLYGCPSA-N 392.481 -0.100 30 20 GBED C=C[C@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 814547969 KZSVTEPLIUAUAU-HNNXBMFYSA-N 382.438 -0.249 30 20 GBED COCC(Cc1ccccc1)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 814883619 UCLRYTVMJQRUDO-UHFFFAOYSA-N 380.426 -0.393 30 20 GBED Cn1cc(S(=O)(=O)NN=C2COc3c(Cl)cccc32)c(=O)n(C)c1=O 814883633 UYZHACCRLNTERP-UHFFFAOYSA-N 384.801 -0.188 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@]23C(=O)Nc2ccccc23)CC1 828757811 BZCAXKYATXIDIC-KBXCAEBGSA-N 388.449 -0.492 30 20 GBED N#C[C@@H]1CNC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 843461863 XQTXEXFTMGEPSH-BXKDBHETSA-N 387.259 -0.045 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc3c2OCCCO3)CC1 845849444 BJPVRRFBTDLRIU-UHFFFAOYSA-N 393.465 -0.096 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(OCC)c2)CC1 872515339 LPEGBGQRZUWAAH-UHFFFAOYSA-N 387.483 -0.141 30 20 GBED CC(C)(CC#N)CNC(=O)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 898066762 NXNRVOVEIPTZJC-INIZCTEOSA-N 379.505 -0.045 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccnc3c2ncn3C)C1 970437721 IUPITUNXRVVGFJ-RZFFKMDDSA-N 385.424 -0.139 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCOCC2)C1 1024673937 XNUKMFOOCBIVAF-FPCVCCKLSA-N 381.473 -0.624 30 20 GBED C=CCN1CC[C@@H](N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2CCCNC2=O)C1=O 1097422771 HCTCMMGNOZJVAH-LVQVYYBASA-N 375.473 -0.090 30 20 GBED C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCC(C(N)=O)CC1 1110390421 MIHAIKOFOPLTTA-OAGGEKHMSA-N 378.473 -0.366 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H](NC(=O)OCC)C1 1117633674 HDWDXHVTGKKEDR-LBPRGKRZSA-N 375.447 -0.560 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)CCO1 1117695984 SIDMPCKPEMCPFW-LSDHHAIUSA-N 384.392 -0.018 30 20 GBED CS(=O)(=O)Cc1ccccc1CNC(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118156426 CUJOEEPMMDUTMK-QGZVFWFLSA-N 379.438 -0.276 30 20 GBED CC(C)(CNC(=O)CCn1cc(C#N)c(O)nc1=O)[C@H]1COCC12OCCO2 1142032206 ZCRLJBSGZGEPTO-CYBMUJFWSA-N 392.412 -0.257 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CCCNS(=O)(=O)CC)C[C@H]1O 1193075943 LQIPQWXYJIZMRW-FPCVCCKLSA-N 389.518 -0.542 30 20 GBED CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1 1257383446 VJDWLZSVHSPWOI-YPMHNXCESA-N 380.426 -0.477 30 20 GBED N#Cc1ccc(OC2CN(C(=O)C(=O)NCc3nnc4n3CCOC4)C2)cc1 1261188506 FQDNZBAAXIMAKR-UHFFFAOYSA-N 382.380 -0.414 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(c2ccc(C(=O)OC)s2)CC1 1325856503 BXJBFHGFUPNRMQ-UHFFFAOYSA-N 379.438 -0.051 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)OC)C2)n1 1326544414 HWGRRXBNWDJJTO-UKRRQHHQSA-N 376.413 -0.753 30 20 GBED CN(CCNC(=O)C(=O)N1CC[C@](F)(C#N)C1)S(=O)(=O)c1cccs1 1327323412 RXUXYCDFASIPKU-AWEZNQCLSA-N 388.446 -0.051 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)CC1 1327807101 ZIQINMKKKBUGSU-UHFFFAOYSA-N 389.412 -0.371 30 20 GBED CCN1C[C@H](CNC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1=O 1328980404 FCHIIYIOFSWKST-KGLIPLIRSA-N 399.455 -0.630 30 20 GBED C=C(CNC(=O)CCn1cnccc1=O)CNC(=O)CCn1cnccc1=O 1330981494 GSFGBDHJIBEARZ-UHFFFAOYSA-N 386.412 -0.931 30 20 GBED CCN(CC)C(=O)CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1352771633 IABWBTCEVIJWMW-UHFFFAOYSA-N 389.460 -0.767 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N2CCN(S(=O)(=O)CC)CC2)n1 1352855429 CQJRPDYLPHFSKT-UHFFFAOYSA-N 395.485 -0.641 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2Cc2cc(C)cc(C)c2)CC1 1355723619 ZCTRONSWANCIRJ-UHFFFAOYSA-N 389.485 -0.072 30 20 GBED N#Cc1ccc(N2C[C@H](C(=O)N3CCS(=O)(=O)C[C@@H]3C(=O)O)CC2=O)cc1 1574489047 XPGKFGAQTJSWGT-TZMCWYRMSA-N 391.405 -0.379 30 20 GBED C#CCCN1CC(N2C[C@H](NC(=O)c3cncc(-c4cnn[nH]4)c3)CC2=O)C1 1574882929 FZPCWBWVBUMMAA-OAHLLOKOSA-N 379.424 -0.095 30 20 GBED N#Cc1cc(C(=O)NCC[C@H]2CN(Cc3cnn[nH]3)CCS2(=O)=O)c[nH]1 1577712410 LZRAQJFZNDNCPX-AWEZNQCLSA-N 377.430 -0.576 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(N(CCO)C2CCN(C(=O)[C@@H](C)C#N)CC2)n1 1580642936 JHBYJPXAQKBUFI-NSHDSACASA-N 385.432 -0.086 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](N=c1cc[nH]c(-c2nn[nH]n2)n1)C1CC1 1588351176 HWIPGGBELCVHFI-KGLIPLIRSA-N 381.444 -0.517 30 20 GBED C=CCn1cc(C(=O)N(C)C[C@H](O)CN=c2cc[nH]cc2-c2nn[nH]n2)nn1 1588710985 GPCDPKMTASDJHN-LLVKDONJSA-N 384.404 -0.994 30 20 GBED C#CCN(CC#C)c1nnc(-c2c[nH]nc2-c2nn[nH]n2)n1C[C@@H]1CCOC1 1602720594 YHKNATAKLAUHSD-LBPRGKRZSA-N 378.400 -0.042 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(OCC(=O)O)c2)CC1 1602726491 QPVJNQNEKDVMOF-UHFFFAOYSA-N 396.425 -0.233 30 20 GBED C#CCOCCC(=O)N1CCC(O)(CNc2nccnc2-c2nn[nH]n2)CC1 1602727625 QTZXXEMVEMIYKC-UHFFFAOYSA-N 386.416 -0.538 30 20 GBED N#Cc1ncc(NCCNS(=O)(=O)c2cccs2)nc1-c1nn[nH]n1 1606398107 MERMLNBMTMCVIR-UHFFFAOYSA-N 377.415 -0.020 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H]3CC[C@H]2[C@H](C(=O)O)C3)c1=O 1609470291 NDGVBCIFXAJVLQ-MJBXVCDLSA-N 376.413 -0.314 30 20 GBED N#Cc1cccc([C@H](C(=O)O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 1610629752 BIQNIEHGQMOHNG-ARFHVFGLSA-N 379.438 -0.541 30 20 GBED N#Cc1cn(CCC(=O)N2CCC(NC3CCOCC3)CC2)c(=O)nc1O 1644275509 UMWQLEINZYWMBN-UHFFFAOYSA-N 375.429 -0.030 30 20 GBED CN(C)c1cncc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1783556685 BZWMHMFKMKBOOY-IBGZPJMESA-N 386.408 -0.321 30 20 GBED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1783901526 RNAIXKNJKQALGB-RVKKMQEKSA-N 384.546 -0.230 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784598561 UTIUSRNZSVWGHE-CPUCHLNUSA-N 393.448 -0.135 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786884247 BREAEJOTQQXVAE-QXKUPLGCSA-N 396.488 -0.850 30 20 GBED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)C=CC1=O 1793611512 XVPYWSUAHYQAPP-FVCICTRLSA-N 388.424 -0.559 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1793822184 GGPIDZUTKALKHR-YALNPMBYSA-N 399.513 -0.854 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOCC1 1795441250 IUMCKIFZPJODPO-CUSZFKRNSA-N 396.488 -0.291 30 20 GBED CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](S)C(C)C)C2)C(=O)O 1795640689 BXOIIPFSABZDAE-BUONHZGMSA-N 387.502 -0.407 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1812642150 AXSVKMJWCZMBRZ-GLJUWKHASA-N 384.392 -0.689 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1833161991 DRLUZVLEQMWRGX-HXUWFJFHSA-N 384.436 -0.111 30 20 GBED CC(=O)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)n[nH]1 1834761026 ZHYRZPGAHKSKFR-QGZVFWFLSA-N 375.385 -0.404 30 20 GBED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835357278 PCCPEOHNTLBPDY-KSSFIOAISA-N 380.445 -0.387 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccnc1C(N)=O)CCO2 1838331303 YNWVPADGGXCQTN-SFHVURJKSA-N 389.412 -0.778 30 20 GBED Cc1[nH]nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1F 1840040976 JGGLASGYKGHINQ-QGZVFWFLSA-N 394.359 -0.985 30 20 GBED C=CCC(F)(F)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]nnc3n1)C2 1846011414 JTRRQDKNTNTKMV-UHFFFAOYSA-N 393.354 -0.159 30 20 GBED Cn1cc(C#N)c(=O)n(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1=O 11034084 WGOYLSQMBJNEBA-UHFFFAOYSA-N 398.379 -0.324 30 20 GBED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(c3cnccn3)CC2)c1 45104549 RYWCMPMTHLBOID-UHFFFAOYSA-N 382.380 -0.355 30 20 GBED CCOCCCNC(=O)/C(C#N)=c1/s/c(=C/c2cc(C#N)n(C)c2)c(=O)n1C 189550548 BSBMLLMCBWJMOS-BTLPPGDISA-N 399.476 -0.297 30 20 GBED C[C@](C#N)(NC(=O)CN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O)C1CC1 268630703 OUPVWLWJYBGVJF-GOSISDBHSA-N 391.428 -0.692 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2c(C(=O)OCC)cnn2C)C1=O 281572042 XHXCKCWXQCRPJJ-LBPRGKRZSA-N 377.401 -0.219 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)OC)CC1 290201057 HUANPTUUOANSTN-OAHLLOKOSA-N 396.488 -0.190 30 20 GBED CCn1cc([C@@H]2CS(=O)(=O)CCN2/C(O)=N/C[C@@H]2CN(C)CCO2)cn1 330014727 BBSRUQIMUXGEAE-CABCVRRESA-N 385.490 -0.081 30 20 GBED C[C@@H]1CCOCCN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N 349488194 DZUXNJORDKHHKG-CYBMUJFWSA-N 378.476 -0.504 30 20 GBED CCCc1nnc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)o1 349498917 JOADPTMYTUPZTB-UHFFFAOYSA-N 377.448 -0.061 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 349559515 WDXIXBIKVMOGTE-MJBXVCDLSA-N 395.503 -0.535 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)NC[C@@H]1CCOC1 349601167 JIMZJVACDSYGPK-STQMWFEESA-N 397.544 -0.397 30 20 GBED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)N[C@@H]2CCNC2)CC1 419898017 ZEMQDOSEQHOTOG-GFCCVEGCSA-N 384.396 -0.067 30 20 GBED C=CCNc1nnc(S(=O)(=O)[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)s1 479015084 OUYYBQHRAULSKS-JTQLQIEISA-N 387.487 -0.011 30 20 GBED CCN(C1CN(S(=O)(=O)N(C)CCC#N)C1)S(=O)(=O)N(C)CCC#N 480986992 LESFNRXZYMNLNY-UHFFFAOYSA-N 392.507 -0.827 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCS(=O)(=O)c2ccc(F)cc2)C1=O 484886014 PHZOWAYZRRPEFG-UHFFFAOYSA-N 397.384 -0.308 30 20 GBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)c(F)c1 489121370 GTCOFJLVBHFXDQ-LLVKDONJSA-N 389.430 -0.379 30 20 GBED COC(=O)CNS(=O)(=O)c1cccc(NC(=O)Cn2cnc(C#N)n2)c1 494543709 NDMMQVWBCGWDQQ-UHFFFAOYSA-N 378.370 -0.760 30 20 GBED COCC[C@@](C)(O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 575330723 DPSXKIVHTOZFBE-CQSZACIVSA-N 391.471 -0.446 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CC[C@@H](CO)O2)cc1 575762584 YQIYBLSZZBUYQY-NEPJUHHUSA-N 389.455 -0.693 30 20 GBED CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cc(OC)c(C#N)cc2F)C1 599956655 GMOSQKDREHVFOO-SNVBAGLBSA-N 384.389 -0.205 30 20 GBED Cn1cc(C#N)c(NC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1 610561901 FQOUFBDHFIVNDR-UHFFFAOYSA-N 379.402 -0.041 30 20 GBED C#CCNC(=O)CN1CCN(C[C@H](O)COCc2cccc(OC)c2)CC1 728685706 DMMHDBXPTAOGPA-SFHVURJKSA-N 375.469 -0.060 30 20 GBED COC(=O)N(C)CCNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 827892561 ZVTNLFLZKDAOMO-UHFFFAOYSA-N 388.428 -0.147 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cccnc2N2CCOCC2)CC1 831555915 DCPWRLVDDCCJTF-UHFFFAOYSA-N 393.469 -0.856 30 20 GBED C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 839337651 WJBSFYKMFURZOE-WBVHZDCISA-N 383.452 -0.088 30 20 GBED COC(=O)C1(C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 848685605 PXIMTWVPWZWFGC-UHFFFAOYSA-N 380.378 -0.209 30 20 GBED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCCS(N)(=O)=O)[C@H](C#N)C1 848956970 HMAXTRORLWDGRU-LLVKDONJSA-N 396.491 -0.560 30 20 GBED C=C(CNC(=O)/C=C\CN1CCOCC1)CNC(=O)/C=C\CN1CCOCC1 869305376 IOSSOVWPXCIFJB-JVLMNHKTSA-N 392.500 -0.448 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 875601147 XZPFIKJKBYEXGV-ARFHVFGLSA-N 381.473 -0.079 30 20 GBED C#CCN1CCN(C(=O)CN2CCc3c(cccc3S(N)(=O)=O)C2)CC1 879675638 SOKFVABHIMUOGX-UHFFFAOYSA-N 376.482 -0.531 30 20 GBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1)[C@H]1CCCO1 898003419 IQGSDPUOTRTKKI-FGTMMUONSA-N 392.500 -0.804 30 20 GBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1)[C@H]1CCCO1 898003420 IQGSDPUOTRTKKI-OKZBNKHCSA-N 392.500 -0.804 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc3n2CCOC3)C[C@@H]1O 964503731 OQIOCVYCGPAFOZ-YXPYIKCWSA-N 390.440 -0.304 30 20 GBED C=CCOCCN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H](C)NC(=O)Cn1cnnn1 1109946323 ZAPWKADXGNOYNJ-XGUBFFRZSA-N 377.449 -0.898 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCc1nc[nH]n1 1110430684 JXVKLOPDLPFIQB-UPJWGTAASA-N 375.433 -0.529 30 20 GBED C=CCN(CCc1ccco1)C(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 1117182511 PQLPDXLZRWVYRZ-UHFFFAOYSA-N 399.469 -0.385 30 20 GBED COc1ccc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cc1S(C)(=O)=O 1261461739 WGHUFSBKJPAFSG-INIZCTEOSA-N 381.410 -0.086 30 20 GBED CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cc1 1261464898 BSFFCHGYXWXZOB-QGZVFWFLSA-N 394.453 -0.570 30 20 GBED C[C@H](NC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1)C(=O)N(C)C 1323950034 LPOORDFSICMLET-LBPRGKRZSA-N 375.404 -0.061 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCO[C@@H](C#N)C3)C2=O)cc1 1325270621 JPHQDNAQTZAUDT-JKSUJKDBSA-N 381.392 -0.079 30 20 GBED CN1CCN(C2CN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)CC1 1326788038 SSZIGMXVODMSEH-UHFFFAOYSA-N 391.497 -0.050 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]1CS(=O)(=O)NC 1328728083 IGXVLFZDRFMFEG-OAHLLOKOSA-N 393.465 -0.145 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC(c1nccn1C)c1nccn1C 1334972221 MEBVBLKMIGLABL-UHFFFAOYSA-N 381.462 -0.061 30 20 GBED C=CCn1c(Cn2cc(CCO)nn2)nnc1N(C)CCN1CCOCC1 1342468800 YMMSVVPGIBSFJH-UHFFFAOYSA-N 376.465 -0.593 30 20 GBED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1343049597 IEKWOFZUBBXJQO-MJBXVCDLSA-N 399.455 -0.584 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 1343313466 YJJFDUSEAZQMBT-OAHLLOKOSA-N 393.465 -0.207 30 20 GBED C=CCOC[C@@H](NC(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)C(=O)O 1573368628 IAXLDXLVUDYCKS-VXGBXAGGSA-N 385.417 -0.164 30 20 GBED COCCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H]1CCCN1Cc1cnn[nH]1 1576999646 PSOWRCVBNDCZRM-ZFWWWQNUSA-N 377.449 -0.480 30 20 GBED N#Cc1cnc(N2CCC(N(Cc3cnn[nH]3)C(=O)c3cnn[nH]3)CC2)cn1 1577719439 RZFBJNDNDQHGOF-UHFFFAOYSA-N 379.388 -0.104 30 20 GBED Cn1c(=O)[nH]c(N2CCN(c3ccsc3C#N)CC2)c(-c2nn[nH]n2)c1=O 1581748389 ZQINVZPORVILBM-UHFFFAOYSA-N 385.413 -0.487 30 20 GBED N#CCNC(=O)CN1C[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 1581858309 ZUFKEIMHWYZDSQ-SMDDNHRTSA-N 383.416 -0.629 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)nc3)C[C@H]2O)c1 1581863103 WTKAYOVGJLSIRW-SWLSCSKDSA-N 379.384 -0.169 30 20 GBED C=C[C@@](C)(O)CC(=O)N[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2F)C[C@H]1O 1588505664 ULKWYKAAGSNVHS-XHBSWPGZSA-N 377.380 -0.606 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2C)nn1 1588712595 AEJMAJVVXYCVHG-ZYHUDNBSSA-N 381.404 -0.311 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NN1CCS(=O)(=O)CC1 1592667049 SWJOYRNONWYIEB-CYBMUJFWSA-N 375.414 -0.689 30 20 GBED C#CCO[C@H](C)C(=O)N(C)C[C@H](O)CNc1snc(C)c1-c1nn[nH]n1 1602724320 CNAXNUBIVFJOAW-GHMZBOCLSA-N 379.446 -0.099 30 20 GBED O=C(O)CNS(=O)(=O)c1ccc(C=NN=c2nc3[nH][nH]cc-3c(O)n2)cc1 1776042429 NJSGRZBZYGKRPA-UHFFFAOYSA-N 391.369 -0.759 30 20 GBED CC(=O)N(CC(=O)O)C[C@H]1CN(S(=O)(=O)CC(C)(C)CC#N)CCO1 1776201503 QJJZSQCWKRRYQW-ZDUSSCGKSA-N 375.447 -0.110 30 20 GBED CN(C)C(=O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779105305 TWWFUPMSOCKLNL-INPMHVJESA-N 396.444 -0.567 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnnc1O)C2 1782013391 JLCNEPVTTQVHGX-FZKQIMNGSA-N 388.380 -0.602 30 20 GBED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1C(=O)CNC1=O)CCO2 1783903007 BMCUGGWJJZLTAM-SFHVURJKSA-N 376.413 -0.828 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834758327 LHCCUHJYAZYODD-SFHVURJKSA-N 377.445 -0.362 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1839158470 KIKSLEVMEXLFNJ-ZQIUZPCESA-N 387.502 -0.468 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1839809169 HHMHXRKIRBCUOP-GOSISDBHSA-N 376.365 -0.493 30 20 GBED C[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840022616 BWGRVSNPQCWNGN-KDOFPFPSSA-N 382.461 -0.895 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC(=O)NC2CCCCC2)c1=O 7394519 JKGKQIKLZGWJFV-UHFFFAOYSA-N 391.428 -0.298 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2NS(C)(=O)=O)CC1 264111567 DGCIPZVECXINOX-UHFFFAOYSA-N 392.481 -0.045 30 20 GBED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC(CO)CO)nnc12 273321304 KVEGIFGKKNRETK-UHFFFAOYSA-N 389.437 -0.208 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)CC(=O)N2CCOCC2)cc1 275661256 GAPVCIXAXFFBGD-UHFFFAOYSA-N 388.424 -0.142 30 20 GBED Cn1[nH]cc2/c(=N\C(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)ccnc1-2 287318800 DDJIRVSDHYKCFV-IWIPYMOSSA-N 390.407 -0.104 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 290853683 JVSNNDGMLDOFJD-OCCSQVGLSA-N 378.410 -0.207 30 20 GBED CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 293486347 SIZWICQRDMRTGC-SJORKVTESA-N 392.481 -0.148 30 20 GBED CCS(=O)(=O)NCC/N=C1/NC[C@H]2CN(C(=O)OC(C)(C)C)CCN12 305011897 KSOXBQFDLPKKMC-LBPRGKRZSA-N 375.495 -0.194 30 20 GBED CN(/C(O)=N/C[C@H]1CCCN1S(C)(=O)=O)C1CCN(S(C)(=O)=O)CC1 328759155 WFTPOTHPISXVLY-CYBMUJFWSA-N 396.535 -0.320 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N1CCCOCC1 349529501 ZYGNWYUSZHMVMA-CYBMUJFWSA-N 397.544 -0.301 30 20 GBED N#CCc1ccnc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)c1 349538165 NZBZHFWHXDBGND-CHWSQXEVSA-N 388.471 -0.278 30 20 GBED COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 368723523 DZGGFVPSIDOBKS-GOEBONIOSA-N 380.422 -0.002 30 20 GBED N#Cc1ccc(N2CCC[C@H](N3CCN(CCS(N)(=O)=O)CC3)C2=O)cc1 374911028 IBZCSUADMFTUIU-KRWDZBQOSA-N 391.497 -0.040 30 20 GBED N#C[C@H]1COCCN1C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 408232489 OOWDGLGHIVXLKG-ZDUSSCGKSA-N 378.410 -0.828 30 20 GBED N#Cc1ccc(OCCNC(=O)C(=O)N2CCC[C@H](C(=O)NCCN)C2)cc1 419463278 LFXRVMLSYLUXIB-HNNXBMFYSA-N 387.440 -0.633 30 20 GBED CCC(N)(CC)CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 420086297 YXFAWRAVJBPGJM-UHFFFAOYSA-N 375.477 -0.118 30 20 GBED Cn1nnc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 427118457 XRVLJJUOVLRUGY-UHFFFAOYSA-N 390.429 -0.702 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(C(N)=O)cc1F 446531335 LUPISOXNWVNNAI-UHFFFAOYSA-N 391.403 -0.062 30 20 GBED Cc1nc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)ccc1C#N 453635030 KLOOLQQNVCSHOO-UHFFFAOYSA-N 384.440 -0.033 30 20 GBED C=C[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 465344005 OKHFMBMSAQNABE-NSHDSACASA-N 380.426 -0.564 30 20 GBED N#C[C@@]1(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCOC1 478656423 WXCXYFDOZLZWDR-INIZCTEOSA-N 378.410 -0.780 30 20 GBED CCOC(=O)[C@H]1CCCN1S(=O)(=O)N(CCC#N)CCN1CCOCC1 500060389 QDNNTNRPMDGCAT-OAHLLOKOSA-N 388.490 -0.193 30 20 GBED Cc1ccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc1S(=O)(=O)NCC#N 565547551 BGJJMGQGYCJEDL-GOSISDBHSA-N 392.481 -0.017 30 20 GBED N#Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1 579351033 HQUSODFXJYIVFT-UHFFFAOYSA-N 384.396 -0.815 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCNS(=O)(=O)c2ccccc2)C1=O 623216488 NLRRWNHBXJAQKG-UHFFFAOYSA-N 394.409 -0.942 30 20 GBED C#C[C@H](C)N(C)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 773954170 MZFVWBBAYNAFKG-MELADBBJSA-N 375.429 -0.063 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 778956778 RVDNJIZMRWDNOP-UHFFFAOYSA-N 383.401 -0.216 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 786366372 HUBSQDFHHGOPCE-XMKDAVRRSA-N 393.396 -0.518 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)CCO1 800072456 WNHDLJYQGZZNPP-NSHDSACASA-N 384.380 -0.154 30 20 GBED C[C@@H]1CC(=O)C[C@@H](C(=O)NCC#CCN(C)C)[C@@H]1C(=O)NCC#CCN(C)C 913521975 VFDDXEOUNRAUIV-BHIYHBOVSA-N 388.512 -0.420 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2ccc(O)nc2)C[C@@H]1O 970711549 HIIUXEHWIRMLQI-WCVJEAGWSA-N 375.425 -0.001 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1O 1023942778 ORERCCOLGHFLMW-JLNYLFASSA-N 377.397 -0.339 30 20 GBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1103249068 ZUTXGPQSTUVBGC-FPCVCCKLSA-N 393.488 -0.487 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc(-n2cnnn2)cc1 1111364975 TZBOFPSXUANCKY-OAGGEKHMSA-N 380.412 -0.363 30 20 GBED CS(=O)(=O)C1(CNC(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)CC1 1118643017 BBVNCJCUTKCNSW-UHFFFAOYSA-N 396.494 -0.038 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CCO1 1251683289 MXHDGSNQOKPGRF-HNNXBMFYSA-N 392.437 -0.389 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1 1261181250 SFBJZXLIHWBRBW-UHFFFAOYSA-N 384.433 -0.414 30 20 GBED COc1ccccc1N1CC[C@@H](NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1=O 1326109275 AYXKSFRNOBJPLS-YJYMSZOUSA-N 386.408 -0.206 30 20 GBED CN1CCN(CC2(C)CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)CC1 1556137446 RLBFMLBZSNPXDZ-UHFFFAOYSA-N 388.472 -0.303 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC2OCCO2)C(=O)O)cc1 1573311077 HKIYHUPIMKGVJC-ZDUSSCGKSA-N 382.394 -0.456 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2CCCNC2)nnc1N1CCS(=O)(=O)CC1 1574937438 WYBROQFFQLBWRU-CYBMUJFWSA-N 382.490 -0.718 30 20 GBED N#CCN(Cc1cnn[nH]1)C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl 1577706868 WZZCCKMUAQVQGL-ZDUSSCGKSA-N 389.803 -0.016 30 20 GBED C#CCNC(=O)CN1CCC[C@@](C)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588354406 LYBGQPUZLGSTHC-SFHVURJKSA-N 384.444 -0.224 30 20 GBED C#CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 1588354633 SMUKXEMZVIVFJT-OSAQELSMSA-N 382.428 -0.473 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CN(c3cncc(-c4nn[nH]n4)n3)C[C@@]2(C)C1 1588354903 CFQHQGDQVUARPV-JCGVRSQUSA-N 382.428 -0.020 30 20 GBED C#CCOCCC(=O)NC[C@H]1[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]12 1588361898 UFWPJNAYMBWWRR-XYYAHUGASA-N 383.412 -0.331 30 20 GBED C#C[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC(=O)O)cc1 1588369836 YJABYGUULGFPIL-LLVKDONJSA-N 385.423 -0.415 30 20 GBED CC(C)(C)OC(=O)[C@H](CCC(=O)O)NS(=O)(=O)N1CCO[C@H](C#N)C1 1590343975 TTZPAWAAFWUGLB-MNOVXSKESA-N 377.419 -0.380 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CN=c1cc(C)[nH]cc1-c1nn[nH]n1 1602794334 KEJXBEWVCYUXAY-YVEFUNNKSA-N 375.433 -0.450 30 20 GBED CCN(CC)C(=O)CN1CCCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1604279447 PJLNEQSIVRNBQS-UHFFFAOYSA-N 384.448 -0.091 30 20 GBED N#Cc1ccc(N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)nc1 1626503461 VCAJZKDZKFNAFD-UHFFFAOYSA-N 379.380 -0.174 30 20 GBED CN1CC(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)C1 1779105751 MBPJGNXQFRGZJL-DDIDFQKISA-N 394.472 -0.093 30 20 GBED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)CN)CCO3)ccc1F 1781298717 QLVSZAOZMYIQLM-LPHOPBHVSA-N 389.431 -0.644 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCn3ccnn3)C2)C1 1784531136 PBWRGWGGTUIOGN-YJBOKZPZSA-N 375.429 -0.464 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn[nH]c3)[C@H]2C1 1787609613 IXCFDFPBKABMHE-OECAHVLASA-N 387.440 -0.139 30 20 GBED C[C@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1789876609 CUNKATNFZVZIBU-DNXTYWCXSA-N 393.488 -0.428 30 20 GBED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(C)C(=O)CC3)C[C@@H]21 1791260780 UFQDWFYIKBDCCP-UHXUPSOCSA-N 382.486 -0.107 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)c2cccnc2)CC1 1793959556 XDSWMSSVAJLUKP-SCAQPMJSSA-N 397.435 -0.295 30 20 GBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCN(C)CC1 1795446620 UHYFDASVLWUWHC-MPTYRVRUSA-N 384.546 -0.468 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnncc2C(=O)O)CC1 1798095246 JDYKEZVYVDXHJJ-GNXNZQSNSA-N 385.380 -0.318 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCSC 1801024986 WYIHEFHFUZNPIY-QMHWVQJVSA-N 384.498 -0.272 30 20 GBED Cn1nc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc1O 1812875260 SWSXLXMCTTYPIM-FZKQIMNGSA-N 397.391 -0.072 30 20 GBED C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1831595558 IDQFKUZAVJTDHV-ACJLOTCBSA-N 380.445 -0.496 30 20 GBED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835566943 WRRYSVQQMFRFKL-IBGZPJMESA-N 395.504 -0.082 30 20 GBED Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)n1 1836074990 NWDVCGGDGCVVDX-ZBEGNZNMSA-N 384.458 -0.305 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2)C1 1839806873 MKITZIXTHRNZTG-IBGZPJMESA-N 395.456 -0.057 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3)C2)C1 1840044270 SIWBZQWNIYJSDF-CXAGYDPISA-N 382.438 -0.574 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1840157341 LQWMVEOQVDAEPY-OGHNNQOOSA-N 385.486 -0.713 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 24696853 GEWWFCICLXZRJG-UHFFFAOYSA-N 377.470 -0.192 30 20 GBED CCOC(=O)COCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 295777624 SBAKJLZOLMWZSR-GFCCVEGCSA-N 383.426 -0.079 30 20 GBED CN1CC[C@@H](N(C)/C(O)=N/C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)C1=O 329306293 YPOZBEACAHIWNA-CQSZACIVSA-N 398.489 -0.350 30 20 GBED NS(=O)(=O)c1ccc(N2CCN(/C(O)=N/[C@@H]3CC[S@@](=O)C3)CC2)cc1 329985488 DHSBNDWCOFARIG-OIRASMEMSA-N 386.499 -0.109 30 20 GBED N#Cc1ccsc1N1CC[C@H](N2CCN(CCS(N)(=O)=O)CC2)C1=O 331605958 QRDNNUJPIAYISN-ZDUSSCGKSA-N 383.499 -0.369 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCn2cnnc2[C@H]1C 349453808 FRWDWPLZQBBCCM-VXGBXAGGSA-N 390.491 -0.452 30 20 GBED Cc1c(NS(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CC#N)nnn1C 349521230 LOKLEJYRGJEEEF-JTQLQIEISA-N 378.480 -0.181 30 20 GBED COC(=O)[C@@H]1COCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 371100302 PEGQJDHHHNHIMQ-AWEZNQCLSA-N 381.410 -0.107 30 20 GBED COc1ccc(C[C@H](CO)CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1O 410126515 ANJNANZEKQTMRM-KBPBESRZSA-N 385.442 -0.389 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1 440295388 QVCWFYMWDJPVAZ-ZDUSSCGKSA-N 380.426 -0.570 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2cc(C(N)=O)no2)cc1 466462499 UWUGVIVPKIAJCA-UHFFFAOYSA-N 377.382 -0.105 30 20 GBED Cc1nc2cc(O)nn2c(C)c1CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 530270778 VENMDQHUMKSKNW-UHFFFAOYSA-N 395.379 -0.188 30 20 GBED CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(S(=O)(=O)NC2(C#N)CC2)c1 565229638 JEPVRCUXHFZQQK-SNVBAGLBSA-N 386.455 -0.566 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 573268105 ZYENZMHIDIYXDD-HUUCEWRRSA-N 385.424 -0.689 30 20 GBED C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 584253690 KDFQREYHGOXZFZ-NWDGAFQWSA-N 378.433 -0.435 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)c1C#N 588127881 SGFWQOHAYBLFDV-UHFFFAOYSA-N 398.471 -0.647 30 20 GBED C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)NC3(C#N)CC3)cc2)CC(=O)N1 594504855 MMWKUZJCHQBEGV-NSHDSACASA-N 398.466 -0.470 30 20 GBED N#Cc1cn(C2CN(C(=O)NCCNC(=O)c3cccs3)C2)c(=O)nc1O 598971615 YNICMDJTRJTOBR-UHFFFAOYSA-N 388.409 -0.122 30 20 GBED C=C(C)CN(CC)C(=O)[C@H](C)n1cc(CNC(=O)CN2CCNCC2)nn1 640924381 UUSZFFAGHWNCIK-HNNXBMFYSA-N 377.493 -0.215 30 20 GBED C=CCN1CCC(NC(=O)C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)CC1 671981711 LXLFYGQRCULNIZ-OAHLLOKOSA-N 379.505 -0.543 30 20 GBED CC1CC(C#N)(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)C1 758174956 CKAJDTYHLGRNLQ-OWYJLGKBSA-N 389.499 -0.413 30 20 GBED Cn1c(=O)c2c(ncn2CCOC(=O)C#Cc2ccc3c(c2)OCO3)n(C)c1=O 761220269 PRLWJUGAWXLKSL-UHFFFAOYSA-N 396.359 -0.243 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)C)nc1 770450393 HLJVAPUUMQWGOA-JTQLQIEISA-N 384.414 -0.111 30 20 GBED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)[C@@H]1CCCO1 773797494 ODDLPJRXMJRNRB-CVEARBPZSA-N 375.429 -0.549 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)CC1 776648396 IKAAASDOMKFFJA-ZDUSSCGKSA-N 388.390 -0.177 30 20 GBED CN(C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)Cn1cnc(C#N)n1 821586268 QOZYZGQIDCBAJI-UHFFFAOYSA-N 380.416 -0.080 30 20 GBED Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)Nc1ccc(C#N)cc1)c(=O)n2C 825376099 WXWJNDWRLHHIQD-UHFFFAOYSA-N 396.363 -0.513 30 20 GBED CN(C(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)N[C@]1(C)CCOC1=O 848963325 PIQHXFJWLGVJJN-CYBMUJFWSA-N 381.476 -0.435 30 20 GBED C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CCO[C@H](C#N)C1 1117697979 UAQLKSZVQBLLIS-ZIAGYGMSSA-N 394.453 -0.389 30 20 GBED CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NCC#N)C1 1129899704 HWZWOWAFPLZWNW-NYTXWWLZSA-N 375.433 -0.926 30 20 GBED C=C(C)CN(CC)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1219652184 GQTJPAVBBOSARK-FPCVCCKLSA-N 380.489 -0.513 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)C1 1220051889 OJSKBBNPRJMJLH-RBZJEDDUSA-N 378.473 -0.014 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 1320675470 NKYLMNULYMPQMG-UHFFFAOYSA-N 387.440 -0.255 30 20 GBED C[C@H](CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)CN1CCN(C)CC1 1322199663 XLVCFPDZLBVMHK-UVTIVQHFSA-N 378.477 -0.305 30 20 GBED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H](NC(N)=O)C1 1326870871 RVAHUBFSYFJMIP-MRXNPFEDSA-N 386.456 -0.282 30 20 GBED C=CCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@]1(O)CCOC1 1339911670 URGPHERQROYICO-KDOFPFPSSA-N 377.445 -0.100 30 20 GBED C[C@@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3nccnc3-c3nn[nH]n3)C2)CC1 1573569842 GFZXPTIFCQMKQU-QWHCGFSZSA-N 382.432 -0.461 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(Cc3cnn[nH]3)CCC2)C[C@H]1O 1575112839 ZNBYXLZYUUHKHE-FPCVCCKLSA-N 389.456 -0.204 30 20 GBED C[C@H](NCC(=O)NCc1cnn[nH]1)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 1575670734 JOUVJCURMOWNPH-XHDPSFHLSA-N 386.416 -0.860 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NC[C@]1(O)CCS(=O)(=O)C1 1581855522 DGEXDEACQYFQKZ-XJKSGUPXSA-N 390.425 -0.785 30 20 GBED O=C(N[C@]1(CO)CCCN(C(=O)C#CC2CC2)C1)c1c[nH]c(-c2nn[nH]n2)c1 1582242886 XXSXBSJAOAUENQ-GOSISDBHSA-N 383.412 -0.309 30 20 GBED C=CCCOCC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588617080 PPIGEQOTOOWGDL-KRWDZBQOSA-N 389.416 -0.519 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C(=O)O)Oc3cc(F)ccc32)C1=O 1588832534 RFJNDXWWABLERX-GFCCVEGCSA-N 391.311 -0.019 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCc3cc(-c4nn[nH]n4)ccc32)CCO1 1592672111 XNCCXXNETDNSTF-TZMCWYRMSA-N 375.414 -0.087 30 20 GBED C[C@H]1CN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C(=O)O 1599912463 JVWCPMLNORXZOQ-MVLFFRDUSA-N 378.385 -0.802 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(O)cc(-c3nn[nH]n3)c2)CC1 1609021070 ASRVWYWYMMHMHE-UHFFFAOYSA-N 383.412 -0.530 30 20 GBED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785366919 QHFIUBAQPTUCGQ-DNVCBOLYSA-N 392.456 -0.339 30 20 GBED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2C1 1788552495 QLCJESDVGHTYQB-UHXUCMFUSA-N 382.486 -0.204 30 20 GBED COc1nn(C)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791074366 UQVDKRDGVHZSLT-OBJOEFQTSA-N 390.396 -0.890 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)CC)C2 1793340361 TWXWQTFSOUFKEO-SVZOTFJBSA-N 379.457 -0.471 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n(C)n1)C2 1793340562 KRCRZZXPDAFNSB-JFILPPLUSA-N 376.413 -0.633 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=S)NC)C2 1793343951 DSMOIGBWJBNSJG-AYDFFVQHSA-N 396.513 -0.902 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncc(S(C)(=O)=O)c1 1794319981 OKZWMNCWIJLGEC-YWVIFJGQSA-N 377.422 -0.679 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C)n1)C2 1799304099 ZDWQTXQXQYEYRM-AGGWBTHJSA-N 391.428 -0.472 30 20 GBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1800987555 UEISCEPTAFPUQP-NAWOPXAZSA-N 376.500 -0.529 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN(CCO)CCO)c1 1801733868 NVBSKZUSYQALMI-MUJYYYPQSA-N 389.456 -0.575 30 20 GBED N#CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1834674015 OQKLPBRUXWYURB-HNNXBMFYSA-N 378.477 -0.936 30 20 GBED CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835344616 MMYBUFOSABHNGD-CLYVBNDRSA-N 397.497 -0.095 30 20 GBED C[C@@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682754 UZRIFCOJFOBYEL-KDOFPFPSSA-N 382.461 -0.895 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836064740 AHGRYKQVRUQEMP-GUYCJALGSA-N 382.486 -0.263 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)Nc1cccnc1)CCO2 1837626803 PSOXXYSAXJIZER-GOSISDBHSA-N 387.396 -0.610 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1839807667 DPUORFBSTLJWOF-WOJBJXKFSA-N 399.403 -0.189 30 20 GBED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1839889745 NAZYJDLKIUVYLN-MRXNPFEDSA-N 399.398 -0.054 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2 1840646709 OWODFELZWPXILJ-LJQANCHMSA-N 386.408 -0.231 30 20 GBED C/N=C(/NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC[C@@H]1CN(C)CCN1C 261821004 UNGRIYZZBXTPJP-ZOFXXKQRSA-N 388.516 -0.796 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCCN(S(C)(=O)=O)CC2)n1 271669017 ZSYOLUFWSZCZRN-UHFFFAOYSA-N 396.473 -0.058 30 20 GBED C#CCNc1nc(NC[C@@](C)(O)CN(C)C)nc(NC[C@@](C)(O)CN(C)C)n1 286040727 ADJQGHVHRAAFMF-QZTJIDSGSA-N 394.524 -0.634 30 20 GBED N#Cc1ccc(S(=O)(=O)CCN2CCN(CC(=O)N3CCCC3)CC2)nc1 289214889 KTIDYSYVHSOSNY-UHFFFAOYSA-N 391.497 -0.033 30 20 GBED CN(C(=O)C/N=C(/O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1COC[C@H]1O 329364186 HVOBRLBDEYPKSB-ZIAGYGMSSA-N 385.442 -0.540 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N[C@]2(C#N)CC2(C)C)CC(=O)N1 349506778 UBUCCACCRNOGRA-RISCZKNCSA-N 392.503 -0.862 30 20 GBED C[C@@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N[C@]1(C#N)CC1(C)C 349529196 ZFNCWQGYNYFQJP-RISCZKNCSA-N 392.503 -0.862 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[C@H]2O)n1 349535033 JLUWCSLRJGQKSD-VXGBXAGGSA-N 391.475 -0.744 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)CC1 442874860 MTUHNERGFWHVGD-UHFFFAOYSA-N 393.469 -0.486 30 20 GBED N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)CC1 459886559 OJWCQXABBOPOIU-KRWDZBQOSA-N 398.467 -0.465 30 20 GBED CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NCC(=O)NCC#N)s1 511020120 XPPNVVHRLKUDBW-UHFFFAOYSA-N 394.500 -0.852 30 20 GBED COc1ccc(OC)c(S(=O)(=O)N2CCN(CC(=O)NCC#N)CC2)c1 519498685 VIASKVJQPFWLIK-UHFFFAOYSA-N 382.442 -0.350 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(CCC(=O)N(C)C)CC2)n1 537003265 LCLZTSPUUHUYHV-UHFFFAOYSA-N 389.460 -0.103 30 20 GBED COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[C@](O)(CC#N)C3)c2)nn1 592300171 YHRBALUNRYYVSI-GOSISDBHSA-N 398.379 -0.131 30 20 GBED CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C[C@H]1C 594636994 LEMUVEMQNPMFOW-CHWSQXEVSA-N 394.519 -0.520 30 20 GBED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CC(N)=O 608911869 UCIWHERECGAWMH-UHFFFAOYSA-N 376.463 -0.516 30 20 GBED N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C1 615633141 LRGPCTWRHCUJAO-INIZCTEOSA-N 378.364 -0.855 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)COc2ccc(-c3nn[nH]n3)cc2)CC1 735382233 WEXQMTOUIPVDGO-UHFFFAOYSA-N 383.412 -0.861 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H](C)c2nnnn2-c2ccccc2)CC1 761039063 UDZJKBRBFDKALU-AWEZNQCLSA-N 375.458 -0.192 30 20 GBED C#C[C@@H](NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCCO1 776127896 GNBWAVJDSKGZCX-HZPDHXFCSA-N 386.456 -0.005 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCCS(=O)(=O)CCc2ccccc2)CCO1 800206562 HBYBAPLSNLTMAM-OAHLLOKOSA-N 387.483 -0.297 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1)[C@H]1CCCO1 808841535 STIDKQCSOFUSFV-CHWSQXEVSA-N 399.494 -0.252 30 20 GBED C[C@](C#N)(CC(=O)O)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 819821113 CKEHYJHDFUDHKC-MRXNPFEDSA-N 380.426 -0.013 30 20 GBED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H](CO)[C@@H](CO)C2)CC1 879696947 WBLUIZFNUAYBFS-XHSDSOJGSA-N 378.498 -0.010 30 20 GBED CS(=O)(=O)CC(=O)[C@@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 920113845 QYMRNWXMBZLFJK-CQSZACIVSA-N 394.409 -0.003 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](C)C1 940453147 LUHAPIXVMCATTI-OEUWWYETSA-N 392.456 -0.175 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@H](C)C1 949503208 XBGGSFGHHXEZDE-TUVASFSCSA-N 390.440 -0.107 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H]1CC 984946242 IIUJQIWVKBIKHB-RQJABVFESA-N 390.444 -0.536 30 20 GBED Cc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C#CC2CC2)nn1-c1nc[nH]n1 998794841 KLRRWEXQJNSZBJ-RDBSUJKOSA-N 380.412 -0.031 30 20 GBED N#Cc1cccnc1N1C[C@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 1044767933 OXIDSVQMBAEZRU-XQHKEYJVSA-N 386.330 -0.035 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCNS(C)(=O)=O)nn1 1111122291 CIRGFKDYCAEJIS-NFAWXSAZSA-N 382.490 -0.262 30 20 GBED CC(C)C(=O)NCCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1117623751 KLMQEBBIXBTQGL-UHFFFAOYSA-N 386.456 -0.120 30 20 GBED C=CCn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@]1(C)CNC(=O)C1 1121596641 UERBVFYUTNWTML-SFHVURJKSA-N 375.477 -0.500 30 20 GBED C#CCNC(=O)C1CCN(S(=O)(=O)N2CCC(C(=O)OCC)CC2)CC1 1321298388 GGEYXGCPHIQUQK-UHFFFAOYSA-N 385.486 -0.032 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O 1323505861 XITIMUYFMUEWPP-VYGYDYRJSA-N 392.456 -0.080 30 20 GBED Cc1nnc(CNC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)s1 1326720742 MJLGTJHIRJFVHT-JTQLQIEISA-N 386.441 -0.138 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 1326966605 QLGULQPROVKYJU-AWEZNQCLSA-N 379.438 -0.535 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2COc3ccc(F)cc3C2)CC1 1329902564 VGXUUDMEEPAESM-AWEZNQCLSA-N 381.429 -0.011 30 20 GBED C#CC1(O)CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 1333724782 NNTOXZSXJJHVCG-HNNXBMFYSA-N 386.456 -0.329 30 20 GBED C=CCn1c(Cc2nc[nH]n2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1340488512 YBPQIWOFAINHAM-AWEZNQCLSA-N 385.476 -0.084 30 20 GBED C=CCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1[C@]1(O)CCOC1 1340624432 QTWRIBUVBCQQMY-BEFAXECRSA-N 390.488 -0.185 30 20 GBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1341315933 IGJPUBFKPXHBIG-ZDUSSCGKSA-N 389.460 -0.759 30 20 GBED C=CCn1cc(C(=O)NC2(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)nn1 1573351201 OCLMASWZQDQUPZ-UHFFFAOYSA-N 382.388 -0.335 30 20 GBED C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)CC(=O)NCc2cnn[nH]2)CCC1 1575073983 UBBSIOXDPFCMJA-MRXNPFEDSA-N 378.433 -0.707 30 20 GBED N#Cc1cncc(N2CCCO[C@H](CNC(=O)CCOCc3cnn[nH]3)C2)n1 1577719208 MHIFAWSFFWGACM-OAHLLOKOSA-N 386.416 -0.215 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H](CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1588721720 LVLCYRJWCLVADV-XQQFMLRXSA-N 386.416 -0.691 30 20 GBED N#CCNC(=O)CNC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O 1592678087 OUELDPNLXPNCJQ-CYBMUJFWSA-N 397.399 -0.699 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@@H]1CC(=O)O 1593334377 PWCCUMUBCILPCE-AAEUAGOBSA-N 381.410 -0.073 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC2CCN(CC(=O)O)CC2)c1 1594628618 GLYMQSVDZDJACQ-UHFFFAOYSA-N 380.426 -0.498 30 20 GBED C=CCCn1cc(C(=O)N[C@H](C)[C@@H](C)N=c2cc[nH]c(-c3nn[nH]n3)n2)nn1 1602846785 ZGVBVZKAHIPMOU-GHMZBOCLSA-N 383.420 -0.135 30 20 GBED CS(=O)(=O)NCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1771369547 SCAPWUOISFZUOC-LBPRGKRZSA-N 377.430 -0.382 30 20 GBED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1779309698 CEZZZZQKEGAFEA-KBXCAEBGSA-N 380.445 -0.483 30 20 GBED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)CN)CCO3)ccc1F 1781298718 QLVSZAOZMYIQLM-QFBILLFUSA-N 389.431 -0.644 30 20 GBED COc1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1C 1783561559 ZEQGDPQSPQBKIW-IBGZPJMESA-N 387.392 -0.070 30 20 GBED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(O)O)CCO2 1785377882 UNWKJFDBJWKDRA-GOSISDBHSA-N 375.381 -0.922 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncn(C)n3)[C@H]2C1 1785874578 COPUKZPWNJWMLY-ZQDZILKHSA-N 391.472 -0.019 30 20 GBED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2)[C@@H]1SC(=N)NC1=O 1796423352 IQHGVPQIRFJLDS-BLUODKFWSA-N 393.469 -0.318 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C2 1797710824 XJZJYRWDHDNEQI-SLZITWOASA-N 381.473 -0.326 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)C=CC2=O)C3)c1 1798695101 NZXLOTMDDFDFNP-IVWMJMPLSA-N 397.391 -0.985 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(Cl)cn1)C2 1800775785 GTHFBUJAKPVVFU-CULMDFNYSA-N 380.788 -0.786 30 20 GBED C#CC(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1812526940 SRGYCNBVDMOPQF-CXAGYDPISA-N 391.391 -0.235 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1 1812877307 GFRWTFYBGBHFKW-ACJLOTCBSA-N 395.375 -0.428 30 20 GBED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)C(O)O)CC2 1819770251 KDHUQSAWQMGMHQ-VJCPFXPRSA-N 381.458 -0.163 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)COCC)C2)C1 1829765264 PXQDSLQPFFBSOU-SFFCAUCYSA-N 395.456 -0.662 30 20 GBED Cn1ncnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830054314 LLZNKMQVFZZMKG-QGZVFWFLSA-N 376.417 -0.565 30 20 GBED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)[C@@H]4CNC(=O)O4)CC3)CC2)CC1 1833512468 SXXRBKBNFBCYJD-HNNXBMFYSA-N 389.456 -0.030 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833877859 RVHXJHLQNAZCBB-KDOFPFPSSA-N 393.444 -0.524 30 20 GBED CN[C@H](CC(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1)C(=O)O 1834605852 WFTCQMUBWIFFEC-MRXNPFEDSA-N 393.488 -0.076 30 20 GBED CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC#N)CCO2 1835355110 ULNAXVYDHVAGHY-GOSISDBHSA-N 380.445 -0.385 30 20 GBED N#CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837249350 AFLXBJTVSBSQLH-DDKKJVIOSA-N 376.413 -0.809 30 20 GBED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1837305374 WIIHAYFATYHOIR-GJYPPUQNSA-N 380.489 -0.503 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(NC(C)=O)c3)C2)C1 1839808647 XHEVZBQUJHBGOP-IBGZPJMESA-N 386.408 -0.257 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1839840355 DSHOVGIBWGWUFY-YLJYHZDGSA-N 395.500 -0.013 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1840159017 VGLBNSDUIAIHMA-BDJLRTHQSA-N 384.458 -0.486 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1840159869 PQOREWUJUDYLSS-YEWWUXTCSA-N 394.497 -0.144 30 20 GBED CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1840200258 BJWDMCQFSSNNRX-XEZPLFJOSA-N 392.543 -0.125 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1840480254 PIHSEDYVUPATQM-HDMKZQKVSA-N 392.460 -0.097 30 20 GBED C/C(=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)C(=O)O 1840836924 VSGFEHFVAADORP-ZHJQRIIBSA-N 377.397 -0.223 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](CC)NC(N)=O)C2 1841054382 RUQXYZFNHILSRN-FMFIFOJESA-N 377.445 -0.505 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)NC(=O)OCC 1847262332 OTSUIAIEQIERBA-FEBKJFFHSA-N 394.428 -0.889 30 20 GBED Cn1nccc1/C=c1\s/c(=C(/C#N)C(=O)N2CCSCC2)n(C)c1=O 264770175 KLNHHTOPGAJGOG-RZWNUXTOSA-N 375.479 -0.741 30 20 GBED COCCCS(=O)(=O)NCC(=O)N1CCN(c2ccc(C#N)cn2)CC1 269286206 RHIXOEZUFMIWLL-UHFFFAOYSA-N 381.458 -0.442 30 20 GBED CC(C)N1C(=O)C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1=O 290419616 QKWADWGXKOADEQ-CYBMUJFWSA-N 378.410 -0.511 30 20 GBED CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 297870544 UBHQVZLDLHEGAQ-LIRRHRJNSA-N 385.424 -0.082 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CC(=O)N[C@H]4CCCC[C@H]43)CC2)c1 298859744 XUCOBSGWAZKDHE-JKSUJKDBSA-N 396.451 -0.129 30 20 GBED C=CCN1CC[C@H](N(C)S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C1=O 329545897 ZUUSHDFSLIHFLK-AWEZNQCLSA-N 393.531 -0.294 30 20 GBED CCn1cnnc1C/N=C(/O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 329570203 UMRQMBXSUBDWLB-CYBMUJFWSA-N 386.478 -0.162 30 20 GBED Cn1cc(CN2C[C@@H](F)C[C@H]2C/N=C(/O)NCC(=O)N2CCOCC2)cn1 329931087 BBYRWCNOVLBQDN-GJZGRUSLSA-N 382.440 -0.305 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[S@@](=O)CC[C@@H]1C 349462215 SJGSCTVGRKVFTQ-MZFXBISCSA-N 399.560 -0.229 30 20 GBED COC1CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(CC#N)CC#N)C1 349483513 VZEKPLHBXAZYCQ-UHFFFAOYSA-N 384.439 -0.256 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cc(C#N)ccn2)C[C@@H]1O 349528053 SQRQCOOSNXQGCZ-YPMHNXCESA-N 388.471 -0.273 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)N2CCSC[C@@H]2C#N)CC1 349533318 DBHJDEOGVLYLMP-ZDUSSCGKSA-N 396.560 -0.776 30 20 GBED C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 377937366 GPJUPRRTMVCHAN-GFCCVEGCSA-N 397.395 -0.871 30 20 GBED C[C@H](C(=O)N1CCCC1)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409500479 KADUYASPVWDZIM-HUUCEWRRSA-N 385.490 -0.916 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 409594149 GYRNMRDZPXMUNL-ZDUSSCGKSA-N 382.508 -0.646 30 20 GBED COC(=O)CNC(=O)[C@@H]1CCCN1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 419366946 ZVDCGWICAUMFCK-JKSUJKDBSA-N 393.488 -0.568 30 20 GBED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)cc1 442354276 USWHIMVXPYXZAE-SNVBAGLBSA-N 383.430 -0.274 30 20 GBED Cn1c(N2CCOCC2)nnc1S(=O)(=O)CC(=O)Nc1ccc(C#N)cc1 462976659 YQYDIXZKWZFTJA-UHFFFAOYSA-N 390.425 -0.064 30 20 GBED Cc1noc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)N(C)CCC#N)CC1 502331528 IOVIGYYTYRSNFB-UHFFFAOYSA-N 391.475 -0.312 30 20 GBED Cn1ncnc1COc1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)cc1 511362185 SRDKYPLSKISNFU-UHFFFAOYSA-N 388.413 -0.164 30 20 GBED CN1CCN(CCCN(C)C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 570013870 ZAILBIHIISMQOV-UHFFFAOYSA-N 393.513 -0.068 30 20 GBED COc1ccc(S(=O)(=O)NCC(=O)N2CCN(CC#N)CC2)cc1OC 579234536 HHTPRHJDCXDAIF-UHFFFAOYSA-N 382.442 -0.350 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC2(C(=O)O)CCOCC2)cc1 592469024 UEQHTUNHSWGRCR-UHFFFAOYSA-N 381.410 -0.166 30 20 GBED COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](S(N)(=O)=O)C1 593574332 RIKYBSWTXFAHHW-LLVKDONJSA-N 387.439 -0.214 30 20 GBED C#CCNC(=O)CN1CCN(Cc2cccc(S(=O)(=O)N(C)C)c2)CC1 728573068 JOGHHUBRXZNNPS-UHFFFAOYSA-N 378.498 -0.196 30 20 GBED C#CCN1CCN(C(=O)CN(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CC1 748817265 LUTLGONQYHYWHH-IRXDYDNUSA-N 383.514 -0.568 30 20 GBED C[C@H](C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)n1nnnc1C(C)(C)C 755683034 ZLDSYNHTLGPWFO-MNOVXSKESA-N 382.446 -0.503 30 20 GBED CC(C)Cn1c(N)c(C(=O)COC(=O)C2(C#N)CCOCC2)c(=O)n(C)c1=O 767406564 WAQMEVGLDNJZFP-UHFFFAOYSA-N 392.412 -0.169 30 20 GBED CCN1CCN(CC(=O)[C@H](C#N)C(=O)NCc2ccc(F)c(F)c2)C(=O)C1=O 786568541 JTBSYKHOJAGTPZ-LBPRGKRZSA-N 392.362 -0.019 30 20 GBED C[C@H](CC(=O)O[C@@H]1CCC(=O)NC1=O)/N=C1/NS(=O)(=O)c2ccccc21 798627988 QHICVBIOGGRZEM-MWLCHTKSSA-N 379.394 -0.148 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)[C@@H]1CCCO1 809314167 YXQWLKZUZWDKFN-KKUMJFAQSA-N 385.486 -0.396 30 20 GBED CN1C(=O)CC[C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 819727190 WASAAXRZNMZMEN-LLVKDONJSA-N 378.410 -0.621 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@@H]4COC(=O)N[C@H]4C3)CC2)c1 843243214 CJRATGCQYQMIKH-CABCVRRESA-N 398.423 -0.441 30 20 GBED Cc1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cc1S(=O)(=O)N1CCOCC1 843463830 YFFZTWMADJSGJR-LSDHHAIUSA-N 378.454 -0.143 30 20 GBED C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1nc2ncccn2n1 848961499 ZBDLOWOXSIGHGI-LLVKDONJSA-N 386.459 -0.461 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1043681580 VWQAAUIHPGQBRJ-LVQVYYBASA-N 381.473 -0.624 30 20 GBED C#CCOCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)CN1C(=O)CCC1=O 1110551059 NGFJJQBETIIHHD-QXSJWSMHSA-N 377.441 -0.742 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1CCS(=O)(=O)CC1 1111085837 FMOQUKQETGMEAL-MIGQKNRLSA-N 381.498 -0.329 30 20 GBED C#CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(N(C)C)cc2)C1 1220045701 GDBOHPFKBASFFT-MANSERQUSA-N 384.480 -0.233 30 20 GBED CC(=O)N1CCC(NC(=O)CN2CCN(c3nccnc3C#N)C[C@H]2C)CC1 1319583297 WUERAEMTEMJFMK-CQSZACIVSA-N 385.472 -0.014 30 20 GBED N#C[C@@H](C(=O)CN1CCN2C(=O)C(=O)NC[C@H]2C1)c1nc(O)c2ccccc2n1 1319997073 XVRFSNNDGGWJJX-AAEUAGOBSA-N 394.391 -0.846 30 20 GBED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1324334123 FOJDTHHKQOGTDL-ZDUSSCGKSA-N 376.417 -0.311 30 20 GBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 1573285409 HMHCUUHOVGCQMU-LBPRGKRZSA-N 382.428 -0.519 30 20 GBED C#CCOCCC(=O)NC[C@H]1CN(c2cncc(-c3nn[nH]n3)n2)CCCO1 1573289605 OIHZTPLRGPRCHJ-ZDUSSCGKSA-N 386.416 -0.592 30 20 GBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1573342715 APGNFRDBZCKLPL-NSHDSACASA-N 375.389 -0.645 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](n2cc(C(=O)O)nn2)C1)[C@H]1CCCO1 1588370656 JTUJGUVNNUIOKF-MBNYWOFBSA-N 375.385 -0.563 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)nc1 1588371744 SOJGSDLMRVKAEJ-CYBMUJFWSA-N 391.395 -0.332 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C)C[C@H](C(=O)O)C1 1593338706 BGUKHDUIBXDVTF-OCCSQVGLSA-N 394.453 -0.300 30 20 GBED CC[C@](COC)(NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(=O)O 1595194780 KEPUNIKRXYNXLP-QGZVFWFLSA-N 379.417 -0.027 30 20 GBED C#CCOCCC(=O)N[C@@H]1CN(c2nc(C)cc(-c3nn[nH]n3)n2)C[C@H]1OC 1602729131 FXNZAUWRAXXYQU-ZIAGYGMSSA-N 386.416 -0.675 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)CCCO1 1602795304 ZJCNZEPVTWHQQI-PXAZEXFGSA-N 388.432 -0.305 30 20 GBED CC(=O)N1CCN(CCNS(=O)(=O)c2ccc(C#N)cc2C(=O)O)CC1 1603024680 TURNVPYWNSLHPI-UHFFFAOYSA-N 380.426 -0.301 30 20 GBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781342919 ONNOZNSOZPHKEA-IFXJQAMLSA-N 395.456 -0.275 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1781391256 SCCLPEHNHYGYBL-GLJUWKHASA-N 380.445 -0.104 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CNC(N)=O)C2)c1 1783286324 GBBURSNIHAEUDD-RDTXWAMCSA-N 388.428 -0.318 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1783562719 GOFFIMCAGPXUFM-GOSISDBHSA-N 388.380 -0.803 30 20 GBED COc1nc(C)ccc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566744 GSTPCRONUVMICI-IBGZPJMESA-N 387.392 -0.070 30 20 GBED Nc1n[nH]c(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)n1 1784385384 LSJGEKJAFOBXOW-KKUMJFAQSA-N 386.456 -0.287 30 20 GBED CNC(=S)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)S)C[C@@H]21 1788616499 OGFQMZHEVHUIAA-VOAKCMCISA-N 388.559 -0.232 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(C)CC1 1792549755 QIULKQGDYYRRIY-OWLYRPNTSA-N 377.485 -0.044 30 20 GBED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1792636302 PYYNQOYGOLBWTR-XJFOESAGSA-N 383.470 -0.297 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1=O)C2 1793355715 MMCOKZNHWGWLOC-ZXFNITATSA-N 379.457 -0.211 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ncn1)C2 1797706546 FYYHYQAYSFULBV-FAXLKDOZSA-N 390.440 -0.042 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(C)=O 1800540838 VQWKAAAZQDDAGQ-JYYAWHABSA-N 381.473 -0.325 30 20 GBED COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800774110 BZKLHIGFJVYMSR-TVRNETQVSA-N 392.408 -0.747 30 20 GBED Cn1cnc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n1 1812876120 BZZZNBCLCJVHFO-BBRMVZONSA-N 382.380 -0.382 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1coc(Cl)n1)CCO2 1833560201 WKBHGYBNCYANNJ-MRXNPFEDSA-N 397.771 -0.514 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1834768725 LSMPJMFTSNPORD-IFXJQAMLSA-N 387.440 -0.115 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840551186 OXRGPGSLRISECV-WFASDCNBSA-N 394.515 -0.804 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CCN1CCOC1=O)C2 1841054475 FLFJAVVOCLMJRE-PLNGDYQASA-N 390.440 -0.110 30 20 GBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H](O)COc1ccc(C#N)cc1 52719096 YIJFMPBUSRDTTE-HUUCEWRRSA-N 381.454 -0.467 30 20 GBED CC(C)N1C(=O)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1=O 268921172 QGCIFWYXODVDPO-SMDDNHRTSA-N 392.437 -0.123 30 20 GBED COCCOCCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 284297275 RLWAOWISDDJUMB-INIZCTEOSA-N 388.424 -0.051 30 20 GBED CN(C)CCN(C)CCCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 290602570 JNXKTPMDSUUKND-UHFFFAOYSA-N 381.502 -0.164 30 20 GBED CNS(=O)(=O)C[C@H]1CCCN1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 330634672 BUFBULHRGWXRCZ-HZPDHXFCSA-N 385.534 -0.308 30 20 GBED CN1CN(S(=O)(=O)CCCS(=O)(=O)N[C@@H](C#N)C(C)(C)C)CC1=O 349453104 DWEIJBPJZLJHIA-NSHDSACASA-N 380.492 -0.705 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 349529168 YZQKMVIWDQTIQH-XQQFMLRXSA-N 392.503 -0.719 30 20 GBED CN1CC[C@H](NS(=O)(=O)CCCS(=O)(=O)N[C@@]2(C#N)CC2(C)C)C1=O 349544576 BFBZPLWWYYVVAG-SMDDNHRTSA-N 392.503 -0.862 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)N(C)C(C)(C)C#N)C[C@H]1O 349600317 LLFHRSRAIPSKQK-CHWSQXEVSA-N 381.520 -0.027 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(C(N)=O)CCOCC2)c1 363019497 FAEJULIBNAWHSW-UHFFFAOYSA-N 379.438 -0.390 30 20 GBED C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCC(=O)O)cc1 392290437 JYAULSDIIOAFIY-GFCCVEGCSA-N 387.435 -0.039 30 20 GBED Cn1c(=O)c(C(=O)CN2CCOC[C@H]2C#N)c(N)n(Cc2ccccc2)c1=O 471239316 QGDQCBIUBCJWAK-CQSZACIVSA-N 383.408 -0.415 30 20 GBED N#C[C@]1(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCOC1 478641812 UPMRBCNBRRFKMP-MRXNPFEDSA-N 378.410 -0.780 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C 480128666 VOYCIOBVSXKFBV-UHFFFAOYSA-N 388.405 -0.379 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccn(CCC(N)=O)n1 482175335 AJLKHNFQSLKUSF-NSHDSACASA-N 390.425 -0.064 30 20 GBED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CC(=O)OC)C1 508883970 DNGSDHAEIQUOOA-NWDGAFQWSA-N 387.462 -0.157 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 510258827 QGOXIYLBPZIGEJ-OLZOCXBDSA-N 382.508 -0.457 30 20 GBED CNC(=O)CN1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 545905233 JOSGJZRRKVETDR-UHFFFAOYSA-N 382.428 0.343 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CC[C@H]2O)c1 570696821 VINFATATSCJPQZ-ZIAGYGMSSA-N 384.439 -0.474 30 20 GBED N#Cc1cc(NC(=O)C(=O)NCC(=O)N2CCNCC2)ccc1OC(F)(F)F 571146231 BEAVJWYIESHIPW-UHFFFAOYSA-N 399.329 -0.057 30 20 GBED CC(C)(C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NC2(C(N)=O)CC2)cc1 577388603 LWTGCINRGXZCQD-UHFFFAOYSA-N 386.455 -0.437 30 20 GBED Cc1nsc(N2CCN(C(=O)NCCN3C(=O)CNC3=O)CC2)c1C#N 582392949 FKHGHVDIGVQPRR-UHFFFAOYSA-N 377.430 -0.293 30 20 GBED N#Cc1ccc(N2CCN(C(=O)NCCOCCS(N)(=O)=O)CC2)c(F)c1 596622876 KPMFVTOLMRSJTA-UHFFFAOYSA-N 399.448 -0.166 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CCO1 619709761 KGCRZCNFHDLYKN-QWHCGFSZSA-N 379.442 -0.577 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 761031767 VUPWIDAYRXJREU-CQSZACIVSA-N 375.454 -0.030 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 803861964 OMTMHKKWNFGDJK-HNNXBMFYSA-N 384.414 -0.547 30 20 GBED N#Cc1cc(O)cc(C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 811187054 ILRSMAHRULNFHZ-LLVKDONJSA-N 381.366 -0.566 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cnn(-c3ccccn3)c2N)CC1 815439180 FXHYHUTXBXGDOM-UHFFFAOYSA-N 381.440 -0.253 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CNC[C@H]2C#N)cc1 834506776 VYMPZFIWYYEXFJ-DOMZBBRYSA-N 379.442 -0.507 30 20 GBED CN1CC[C@H](C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)S1(=O)=O 842804877 QUZBHTOPPJBJBH-LLVKDONJSA-N 388.383 -0.695 30 20 GBED O=C(N[C@@H]1CCCN(O)C1=O)c1ccc(C(=O)N[C@H]2CCCN(O)C2=O)nc1 848131789 CVOSJHNFBYBQAU-OLZOCXBDSA-N 391.384 -0.698 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC[S@@](C)=O)cc1 848941839 LFEGQUBCNYVZIR-JOCHJYFZSA-N 393.512 -0.122 30 20 GBED C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1nc(N(C)C)n[nH]1 848960544 HSGUWSIIEYTUAM-UHFFFAOYSA-N 392.507 -0.324 30 20 GBED C/N=C(/NCCN1CCOCC1)NC[C@@H](O)COc1ccc2c(c1)OCO2 849068448 HZWWEKMCQVIJIE-CQSZACIVSA-N 380.445 -0.348 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](N2CCOC2=O)C1 855513224 LBOIIHRXLSMJIU-LLVKDONJSA-N 378.410 -0.222 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnc(OC)n2)C[C@@H]1O 964489511 HSIBSRJIMBIGEM-ATGSNQNLSA-N 376.413 -0.232 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCNC(=O)C1 1004922333 HFKSNNKRAOSCCI-LCEIHVTHSA-N 390.484 -0.353 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(OC)nn2)C[C@H]1O 1023942366 VNEUWFZGGHFEIP-DCDXPUDHSA-N 376.413 -0.232 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@H]1O 1023958167 JMJFMXFCMHWBFE-MIGQKNRLSA-N 389.456 -0.175 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccc(C(N)=O)n2)C1 1024273438 KKLQHPLZYZORPF-SRMUXQRQSA-N 388.424 -0.537 30 20 GBED Cn1c(=O)ccn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nc2)c1=O 1055465457 LBAYFBLTDOGVAG-BMFZPTHFSA-N 380.408 -0.260 30 20 GBED C=CCN1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094645473 NFVVEFFWXKBOHQ-BARDWOONSA-N 385.486 -0.705 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)Cn2ncc3ccccc3c2=O)CC1 1115994417 YZLCUVQBWHWAJU-UHFFFAOYSA-N 381.436 -0.320 30 20 GBED CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC(=O)N(CC)CCC#N)C[C@@H]2O)CCN1C 1219660696 HDDXKXRPWSCDPC-HZMVEIRTSA-N 379.505 -0.360 30 20 GBED C[C@]1(CCCO)CCCN1C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1328817993 UTPQAIQYVGSTPR-LGHUBQEGSA-N 378.429 -0.217 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1329794140 CLMJXDRFFHWWMN-OAHLLOKOSA-N 387.502 -0.385 30 20 GBED C#CCN1CCC(C(=O)NCCN(CC(=O)NCc2cnn[nH]2)C2CC2)CC1 1574966487 DFZDNNKEDCHYLL-UHFFFAOYSA-N 387.488 -0.653 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CN(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575111290 BZSYQIVWUPAPQB-KGLIPLIRSA-N 376.417 -0.929 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCc2cnn[nH]2)nn1 1575112281 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CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)N(C)C 1792628289 RCBWZPHSAYAGHN-HGTKMLMNSA-N 397.476 -0.352 30 20 GBED CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795408266 SKGVLQSGKSGEDS-FQUUOJAGSA-N 398.485 -0.792 30 20 GBED COCCOCCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795420714 XIDVRYRZAIJIHJ-HGKCTWBKSA-N 397.472 -0.051 30 20 GBED N#CC1(C(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)CC1 1807042087 CJNFAJJRCFNAMV-ZOBUZTSGSA-N 398.467 -0.016 30 20 GBED NC[C@H](N)C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819773901 BUNGWFBVFLWVMW-KDJXFICPSA-N 393.517 -0.187 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)COCC)C2)C1 1829765265 PXQDSLQPFFBSOU-VOFKWLDRSA-N 395.456 -0.662 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CC3)C2)C1 1829771552 VLRSFAOTLRIGQF-DDKKJVIOSA-N 395.431 -0.197 30 20 GBED CN1C(=O)CC[C@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830060252 KUGGDSONMYNBDR-LIRRHRJNSA-N 392.456 -0.387 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1831433614 KJZHQBAKHXIMPC-SPYBWZPUSA-N 397.472 -0.442 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1834758367 MRUYRUQJAOLBKE-MRXNPFEDSA-N 381.820 -0.093 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839120681 QDRMUZCZBCRRTC-NSISKUIASA-N 393.484 -0.377 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839719507 AEEISSYHNCZSMV-BEFAXECRSA-N 390.440 -0.553 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)CC)CCO2)C1 1839830366 IIOWGYYURFMIDD-BEFAXECRSA-N 382.457 -0.005 30 20 GBED COc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840159100 WMEGUFZGOWXGNP-SJKOYZFVSA-N 398.485 -0.183 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2c(C)nc3cc(=O)[nH]n3c2C)C1=O 265082248 XRVPXRPZPVKMTJ-UHFFFAOYSA-N 386.368 -0.768 30 20 GBED C#CCNc1nc(NCC2(O)CCOCC2)nc(NCC2(O)CCOCC2)n1 288160451 ZPRNDCJABRJWCF-UHFFFAOYSA-N 392.460 -0.177 30 20 GBED N#Cc1ccc(CS(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 295387578 RDURFBRBXQYIBT-UHFFFAOYSA-N 392.481 -0.136 30 20 GBED Cn1c(=O)ccn(C/C(O)=N/CCN2CCN(C(=O)C3CCC3)CC2)c1=O 328936456 QVSZXQRRXFJFIL-UHFFFAOYSA-N 377.445 -0.552 30 20 GBED CN1C[C@H](C(=O)N2CCSC[C@@H]2C/N=C(/O)[C@@H]2CC(=O)N(C)C2)CC1=O 329039321 SGOPRGPKHMHXQC-UPJWGTAASA-N 382.486 -0.157 30 20 GBED C[C@H](C/N=C(/O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1)CN1CCN(C)CC1 330200324 WNDGRHZWEFOYAD-HUUCEWRRSA-N 375.539 -0.250 30 20 GBED CN(CC(C)(C)O)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 349502526 OHYLHLCYDXXHBA-GFCCVEGCSA-N 399.560 -0.320 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCCS(=O)(=O)N1CC[C@@H](O)C1 349595830 YCHJEIROZFITPZ-CHWSQXEVSA-N 397.544 -0.566 30 20 GBED COC(=O)C1CCC(NS(=O)(=O)N2CCO[C@H](C#N)C2)(C(=O)OC)CC1 409500153 NFCMRDJQTATLEB-MQYJIDSJSA-N 389.430 -0.680 30 20 GBED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@](C)(O)CN1CCOCC1 442017235 IWDXIWUVWGPOHX-GOSISDBHSA-N 376.413 -0.295 30 20 GBED C[C@@H](CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)S(N)(=O)=O 442355283 WHSUHAFFGFSSHV-VIFPVBQESA-N 394.388 -0.385 30 20 GBED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cnn(C)c3C#N)CC2)C[C@@H](C)O1 474796154 ZZXCAEDVPYMCAB-BETUJISGSA-N 396.473 -0.596 30 20 GBED COC(=O)[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCO1 481429966 AIDPSOBMVSNQIQ-SMDDNHRTSA-N 381.410 -0.375 30 20 GBED C[C@H]1CC(=O)NCCN1S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 594623504 MFBMNNNKWINXKH-NSHDSACASA-N 386.455 -0.612 30 20 GBED Cc1nn(C)c(N2CCN(S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])CC2)c1C#N 599287324 BNFMVOODDQZUEW-UHFFFAOYSA-N 394.417 -0.247 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)NC)oc2C)CC1 751376349 FYPRIAGJYHVOFA-UHFFFAOYSA-N 382.442 -0.997 30 20 GBED COC(CN(CCCO)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)OC 759868163 AEMMQTTWIKQWRY-UHFFFAOYSA-N 395.460 -0.193 30 20 GBED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CCC(=O)N1CCOCC1 816129179 MJSQMGUMCAEHHB-UHFFFAOYSA-N 396.381 -0.090 30 20 GBED N#Cc1nc(NC(=O)CN2CCN(c3ccccn3)CC2)[nH]c1-c1nn[nH]n1 822814553 JDDWRHVYBMUWNK-UHFFFAOYSA-N 379.388 -0.383 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C(=O)C#Cc3cccs3)CC2)CC1 824893220 NQWSKFFHFRYSFM-UHFFFAOYSA-N 382.511 -0.264 30 20 GBED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCNC2)c1 850839630 VACCTQDPTNQCLP-HJIPDZNASA-N 393.469 -0.084 30 20 GBED CCOC(=O)C[C@@H](O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 859445569 QXVNXTMAWUVHDU-LLVKDONJSA-N 384.410 -0.028 30 20 GBED COCCNCCNC(=O)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 884721633 PTOTVXUXSNFGPB-UHFFFAOYSA-N 377.420 -0.302 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2nnc(O)nc2O)[C@H](C)C1 949470265 MDKLCABLYKEPPS-XZUYRWCXSA-N 377.401 -0.159 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@@H]1O 964615163 JMVRGWKGRDULQR-BDXSIMOUSA-N 393.484 -0.086 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn[nH]2)C[C@@H]1n1ccnn1 990880782 QNEQNWODOOTDIM-RZFFKMDDSA-N 386.416 -0.441 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)CN3CCOCC3=O)C[C@@]2(C)C1 993454248 VHGPRGPKWKQYRJ-DICRZQGBSA-N 391.468 -0.257 30 20 GBED CN1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(C#N)n2)S1(=O)=O 1055461995 QDTAVWLNHFPHSK-FVCCEPFGSA-N 376.442 -0.392 30 20 GBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C 1106448197 AMTUQTGMFICXDG-FPCVCCKLSA-N 378.473 -0.767 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)C(=O)NCCCOC 1109175616 SWPWHNOASSVYIW-FZKCQIBNSA-N 378.473 -0.611 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NCCOCC)C[C@H]1OC 1213557448 KFCAWKILANGGMM-LHHMISFZSA-N 383.489 -0.064 30 20 GBED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2nnn(C)n2)cn1 1321035875 KBQKWFWGASCSPE-SNVBAGLBSA-N 377.434 -0.306 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)NC1CCN(C(=O)C2CC2)CC1 1321486650 ZEUPCULNMJVISM-UHFFFAOYSA-N 384.440 -0.001 30 20 GBED COCCOC[C@H](C)NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1325097915 OVQGQEBGYLVXBY-ZDUSSCGKSA-N 392.460 -0.584 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCCCO3)CC2)cc1 1325729273 VSSKLWJLUBMNSJ-UHFFFAOYSA-N 392.437 -0.055 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ccnnc1)[C@H]1CCCO1 1327764341 CDXSXZKNNVPCGD-UONOGXRCSA-N 388.471 -0.291 30 20 GBED CN(C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCNC1=O 1329444452 PNPQZJUOKFQOBR-CABCVRRESA-N 383.408 -0.483 30 20 GBED C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)NC)[C@@H]1CCS(=O)(=O)C1 1574674364 XWLXECVECSPSEI-ZIAGYGMSSA-N 396.517 -0.349 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CCC[C@H]2CNCC(=O)NCc2cnn[nH]2)c1 1575032437 CUJVUDWJETWWKQ-WMLDXEAASA-N 381.440 -0.015 30 20 GBED N#CCNC(=O)CN1CC[C@@H](CCNC(=O)c2ccc(-c3cnn[nH]3)nc2)C1 1577706624 MZRLLYMALOPYKT-CYBMUJFWSA-N 382.428 -0.052 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[nH]n2)nn1 1588351045 DAPONENECUJUSY-YDHLFZDLSA-N 379.428 -0.456 30 20 GBED C#CCOCCC(=O)N[C@H]1[C@H]2C[C@H]1N(c1cc(-c3nn[nH]n3)nc(CC)n1)C2 1588359809 YVQVOXWRNXNXDZ-PPHDSNJXSA-N 382.428 -0.048 30 20 GBED C#CCOCCC(=O)NC[C@@]1(C)CN(c2ccc(-c3nn[nH]n3)nn2)CCO1 1588361100 DQNQPRIDTGAHJL-KRWDZBQOSA-N 386.416 -0.592 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2nc(Cl)c(-c3nn[nH]n3)s2)C[C@H]1O 1588505945 ZQVWARUBYMBUDQ-WGZSSWNPSA-N 399.864 -0.031 30 20 GBED C=CCn1cc(C(=O)N2CC[C@H]3CN(c4ccc(-c5nn[nH]n5)nn4)C[C@H]32)nn1 1588712785 DCLURBQHDAYQEH-SMDDNHRTSA-N 393.415 -0.215 30 20 GBED C[C@H](Nc1cnc(-c2nn[nH]n2)cn1)[C@@H]1CN(C(=O)CSCC#N)CCO1 1589987325 IUDQHSRCSGVFDB-JQWIXIFHSA-N 389.445 -0.059 30 20 GBED C#CC[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C(=O)OC)C(=O)OC 1602696919 HJTJEGXJDUWSDO-NSHDSACASA-N 393.381 -0.504 30 20 GBED C#CCOCCC(=O)NC1(CN=c2cc[nH]cc2-c2nn[nH]n2)CCOCC1 1602729457 SFUSOUABPKPYSR-UHFFFAOYSA-N 385.428 -0.199 30 20 GBED C[C@@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)n1cnc(-c2nn[nH]n2)n1 1602998157 GSOUBWFISBNZRW-NSHDSACASA-N 379.388 -0.365 30 20 GBED N#C[C@]12CN(C(=O)N[C@@H]3CCOC4(CC(C(=O)O)C4)C3)C[C@H]1CS(=O)(=O)C2 1608192386 ZFADYWXBBJXDMV-PERQXOOMSA-N 397.453 -0.021 30 20 GBED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N1CCOCC1 1729078748 NLQWUVYLYBZDGZ-CQSZACIVSA-N 378.433 -0.208 30 20 GBED O=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)CN1 1779137719 CZTLNZWLVKOXQG-WECAHICPSA-N 388.424 -0.336 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(Cl)nn3)C2)C1 1779432552 IDXJLRICFWRBDU-INIZCTEOSA-N 378.772 -0.339 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780953111 CRAMACRNBQRJAZ-IBGZPJMESA-N 397.391 -0.810 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781045043 KYFRYQLQGOUSMV-XSWJXKHESA-N 382.461 -0.660 30 20 GBED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1783901527 RNAIXKNJKQALGB-VKJFTORMSA-N 384.546 -0.230 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 1784480349 WPBZROITOJDMCS-YXMSTPNBSA-N 377.441 -0.717 30 20 GBED CN1CC(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)C1 1784783021 ALLGAKSXAGAPAP-YBCYLVPRSA-N 377.489 -0.150 30 20 GBED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787497149 YHMHLJNGAMNSNA-DKKFBCOVSA-N 393.469 -0.318 30 20 GBED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)NC(=O)OCC)[C@H]2C1 1788474983 HRVSNZRPSBGULV-WSMBLCCSSA-N 381.429 -0.556 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1cncn1)C2 1793346456 AQYYIOCZQWSLJC-MPTYRVRUSA-N 375.429 -0.704 30 20 GBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCN(C)CC1 1795446622 UHYFDASVLWUWHC-PNBKFKSVSA-N 384.546 -0.468 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@H](N)C(N)=O 1796082784 IOYBIOAGUKMZPR-AICCOOGYSA-N 380.489 -0.210 30 20 GBED CCOC(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)OCC 1800781262 VHHNNIFUKLIQHF-IVWMJMPLSA-N 382.413 -0.547 30 20 GBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)C2 1800998114 YHAMQFIYCNYLCF-ZCURGHERSA-N 380.470 -0.045 30 20 GBED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1 1801434077 FMNCSBRPQQPHOX-RGDJUOJXSA-N 382.490 -0.222 30 20 GBED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)C1(O)CCC1 1829746755 SIVAUMSCYUNLTO-KBXCAEBGSA-N 394.424 -0.918 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1830059478 FKRSOIBZNRJDMK-SFHVURJKSA-N 389.412 -0.610 30 20 GBED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)n1ccnn1 1831221164 GVEIZULATUOLRE-DNVCBOLYSA-N 387.440 -0.291 30 20 GBED C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1831595563 IDQFKUZAVJTDHV-UGSOOPFHSA-N 380.445 -0.496 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)COC)CCO2)C1 1831618164 JJVQATCNSRNPKC-MDZRGWNJSA-N 382.457 -0.236 30 20 GBED CN(C)C(=O)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831666081 UAWMWXNHAOHAKO-OAHLLOKOSA-N 392.456 -0.035 30 20 GBED Cc1cc[nH]c1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1833547513 FGWWHKRSSOVZTE-SFHVURJKSA-N 375.381 -0.519 30 20 GBED CN(C)CC(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837561460 MOMFYHJBCXVXJX-LKQKOTCASA-N 392.456 -0.284 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1839809116 RDASKVKLEIBVSM-IBGZPJMESA-N 388.424 -0.372 30 20 GBED COCCNS(=O)(=O)c1ccc(CNS(=O)(=O)N(C)CCC#N)cc1 56088759 CFBMASYOCPRYRP-UHFFFAOYSA-N 390.487 -0.209 30 20 GBED C/N=C(/NC[C@H]1CCN(C)C1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261825723 UYSKTSGSCVBIEE-CQSZACIVSA-N 384.506 -0.351 30 20 GBED CN1CCN(C(=O)CCNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 265096834 FPHFHTUZNGTUFT-UHFFFAOYSA-N 392.481 -0.247 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@H](O)CN2CCOCC2)c1 267553773 BWIRQOYSLYPHHG-INIZCTEOSA-N 395.481 -0.637 30 20 GBED COCCNC(=O)/C(C#N)=c1/s/c(=C\c2ccc(OC)s2)c(=O)n1C 268638139 QPGRPBJPUFTTJY-LZSDMOFMSA-N 379.463 -0.217 30 20 GBED Cn1c(N2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)c(C#N)c(=O)n(C)c1=O 269990898 UWIBMKPZDUNISZ-UHFFFAOYSA-N 393.407 -0.206 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C)cc1OCC(=O)N(C)C 272059821 SZXROXZKPBKDEW-UHFFFAOYSA-N 376.413 -0.181 30 20 GBED COCCNS(=O)(=O)c1ccc(C(=O)NCCn2cnc(C#N)n2)cc1 286129129 HFHKBIQTMYZMPG-UHFFFAOYSA-N 378.414 -0.496 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NCC3(N4CCOCC4)CC3)CC2)nc1 289776865 HUSBNYPBGVSAQM-UHFFFAOYSA-N 398.467 -0.417 30 20 GBED CN(CCS(C)(=O)=O)C(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 297975146 GUPJRZDSCPAMRT-UHFFFAOYSA-N 378.454 -0.290 30 20 GBED C=CCN(CC(=O)N(C)CC(=O)NCCC)CC(=O)N(C)CC(=O)NCCC 298422949 LIPNIENEAPHCAI-UHFFFAOYSA-N 397.520 -0.556 30 20 GBED C=C(C)[C@@H](CC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)OCC 330447853 IDEAVXNAVPQMNA-MRXNPFEDSA-N 388.534 -0.006 30 20 GBED CC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)N2CCSC[C@@H]2C#N)C1 349610169 JIFXQSODUJJDKQ-LBPRGKRZSA-N 397.544 -0.566 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1C[C@H](O)C(C)(C)C1 349627209 WCGUFKQILYIGFS-OLZOCXBDSA-N 381.520 -0.027 30 20 GBED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC1 410488700 HZEXYGRRVXZMFO-GJZGRUSLSA-N 381.477 -0.710 30 20 GBED Cn1c(N2CC[C@@](C)(NCC(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 440647569 HSYNMECHOFREQL-GOSISDBHSA-N 377.445 -0.144 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)n1 441953961 GFSLQBMWVQQGKL-QGZVFWFLSA-N 379.417 0.483 30 20 GBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cccc(C#N)c1 518651960 ULOMTTZWGSMOPD-AWEZNQCLSA-N 385.467 -0.377 30 20 GBED CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 571344969 ZIFFKTNESDEHNN-UHFFFAOYSA-N 388.471 -0.461 30 20 GBED C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 580216638 APWAUTBKISDUDI-RKFFSXRUSA-N 393.512 -0.124 30 20 GBED C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 584877632 SJPKXSRBDNDBMN-KBXCAEBGSA-N 392.456 -0.030 30 20 GBED CC(C)(C)n1nnc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1 594532462 ACDGDUVJAZZESJ-UHFFFAOYSA-N 397.443 -0.340 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(c4nc(N)n[nH]4)CC3)CC2)o1 595486990 ARLTXBJVJXWJBE-UHFFFAOYSA-N 399.459 0.083 30 20 GBED CS(=O)(=O)Cc1nc(=NC(=O)N2CCN(c3ncccc3C#N)CC2)o[nH]1 613206144 SGSSSPHASZCSCH-UHFFFAOYSA-N 391.413 -0.343 30 20 GBED COC(=O)CN(CC#N)C(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 736919371 PTWQYOBMYHJBGX-UHFFFAOYSA-N 392.397 -0.693 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 737166487 DMZKVEBZDINKGF-UHFFFAOYSA-N 399.386 -0.272 30 20 GBED C#CCN1CCN(C(=O)CN2CC[S@@](=O)C[C@@H]2c2cnn(CC)c2)CC1 753810310 IWQWJRPPPVZVGO-WGDIFIGCSA-N 377.514 -0.214 30 20 GBED C#CCOCCC(=O)OCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 756305253 SCSJZLQDPUAXIX-HUUCEWRRSA-N 387.454 -0.236 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)CCS(C)(=O)=O)[C@H](C#N)C1 758644374 LVVBHHLQRDVGGR-GHMZBOCLSA-N 381.476 -0.291 30 20 GBED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCC(=O)NC2=O)cc1C#N 784860750 ALJZKXNQJSXIKQ-LBPRGKRZSA-N 387.352 -0.013 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 796992536 JXKOMTATMHPFOQ-UHFFFAOYSA-N 380.426 -0.429 30 20 GBED COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC(=O)NCC#N)c1 804820683 LTZRMZCGGIXKEP-UHFFFAOYSA-N 388.833 -0.366 30 20 GBED C=CCS(=O)(=O)CCNC(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 808290084 IEGACWOCAMZBLR-UHFFFAOYSA-N 391.471 -0.257 30 20 GBED C=CCn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 818150005 MUFZAUIPZZEAEV-LSDHHAIUSA-N 387.488 -0.190 30 20 GBED CCOC(=O)CON=C(C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O)c1cc[nH]n1 832832350 YRWWMBHUHOIKEJ-PGUXBMHVSA-N 377.401 -0.194 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)CCO1 848507179 JDSOMVBLBMTVOM-MNOVXSKESA-N 384.380 -0.154 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ccc(OCCS(C)(=O)=O)cc1 850476422 KCTCCOARSJZIIE-CQSZACIVSA-N 382.438 -0.061 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCCN(C)S(C)(=O)=O)c1 915087596 BAQSXBXCTDQOFR-UHFFFAOYSA-N 387.483 -0.391 30 20 GBED C#CCN1CCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C1 923573159 JPYLGLYNQVBZTG-HIFRSBDPSA-N 381.502 -0.082 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCNC(=O)C2)nc1 1004744795 ONGCMCYLEABKRG-OIISXLGYSA-N 381.436 -0.644 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nc(C)ccc2=O)C[C@H]1O 1023939402 BJUAUDUWXQLLPG-BORJPKMPSA-N 390.440 -0.779 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(N3CCOCC3)CCC2)C1 1025424212 RJHZQHJXZMWWFC-VQHPVUNQSA-N 393.484 -0.480 30 20 GBED Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2Nc2ccc(C#N)nn2)c1 1052702698 MCJUXPSATDJHKH-UKTARXLSSA-N 380.412 -0.390 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1c[nH]c2ccncc2c1=O 1109343166 LXQZLXLHZUSTET-RLCCDNCMSA-N 380.408 -0.102 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CNC(=O)c2ccccc21 1110675433 XXXSFGFRVCJXPN-PILAGYSTSA-N 380.448 -0.016 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCCOCC)nn1 1111112240 FJKJYELUXVXMES-FMKPAKJESA-N 376.461 -0.048 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CC(=O)NCC(F)(F)F 1111201967 ZTCPGWNHBHVSLA-MXWKQRLJSA-N 375.351 -0.584 30 20 GBED N#Cc1ccccc1CSCCNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 1116975516 OVDPYYRQRRRTDA-CQSZACIVSA-N 396.494 -0.203 30 20 GBED CS(=O)(=O)N1CC(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1325911589 OQWXIBNHIFADMD-UHFFFAOYSA-N 385.467 -0.519 30 20 GBED C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1331890767 KZJMMNVMHNIUCN-MAUKXSAKSA-N 389.500 -0.103 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCNS(C)(=O)=O 1333420370 FVOSMMGKRSJUOW-NSHDSACASA-N 388.471 -0.767 30 20 GBED CO[C@@]1(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CCS(=O)(=O)C1 1356277289 KVSMNYPJXCIZRL-LRDDRELGSA-N 379.442 -0.411 30 20 GBED C[C@@H](O)[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1472577198 VKROAHGMQQINHR-MLGOLLRUSA-N 381.454 -0.183 30 20 GBED C=CCC1(C(=O)NC[C@H](CO)N=c2cc[nH]c(-c3nn[nH]n3)n2)CCOCC1 1573326101 KYAUNPGWBSBMSN-GFCCVEGCSA-N 388.432 -0.660 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2COCCN2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1574936930 PYBXJLPAHZRVMR-KFWWJZLASA-N 394.476 -0.519 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CCCCc2cnn[nH]2)C1 1575112528 URZAKVQSNJGBAD-WCVJEAGWSA-N 377.445 -0.204 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(N(C)C[C@@H](O)CN(C)C(=O)CSCC#N)n1 1580636006 XQIBLCMZAXABRR-NSHDSACASA-N 391.461 -0.523 30 20 GBED Cc1cc(=NC[C@H](O)CN(C)C(=O)c2cc(C#N)c[nH]2)c(-c2nn[nH]n2)c[nH]1 1581014673 KCQIPNQWQKSITA-LBPRGKRZSA-N 381.400 -0.263 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)cc1 1588351298 NPPFBOQQOVLLFS-SJORKVTESA-N 383.456 -0.469 30 20 GBED C#CCN(CC(=O)O)C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1602682333 NGVYDHIEWDNYTM-LLVKDONJSA-N 379.394 -0.767 30 20 GBED COCC(=O)N1CCN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)CC1 1605038297 NULWKOVHSCSVNL-HNNXBMFYSA-N 383.412 -0.134 30 20 GBED COCCN(C(=O)Cn1cc(C(=O)O)cc(C#N)c1=O)[C@@H]1CCS(=O)(=O)C1 1606877427 KMWKGPPOTMOWAZ-CYBMUJFWSA-N 397.409 -0.920 30 20 GBED C=CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1779536163 KSHQERZOKYHBRX-PJIJBLCYSA-N 391.424 -0.721 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1781399054 AYLKETVCERRTOK-CKEIUWERSA-N 393.448 -0.135 30 20 GBED CC[C@H](C)[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010889 JLXAIBJPHRQILR-FCZZECIWSA-N 380.441 -0.005 30 20 GBED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)N1CCOCC1)C2 1783165506 IYTFLBQWPXFMKJ-YVWKXTFCSA-N 393.484 -0.436 30 20 GBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1785424691 HTVXLQKDMLTBDO-XLIONFOSSA-N 376.501 -0.134 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O 1795531126 AGLFPWAADOSEQN-ZWUHOBOKSA-N 384.502 -0.912 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCC(=O)N1)C2 1799304063 WGKZEADUBZNHHS-LOUJCGABSA-N 393.440 -0.636 30 20 GBED Cc1cn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)S)C3)c(=O)nc1O 1801971869 FLWUIEBSCKEETM-FMSGJZPZSA-N 396.469 -0.835 30 20 GBED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CNC(=O)O2)CC1 1824574729 DRWOAQUYCSBJFS-KBPBESRZSA-N 377.397 -0.198 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(COC)CC1)CCO2 1831367442 GUKHFZBGEUMDIN-JXFKEZNVSA-N 394.468 -0.092 30 20 GBED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1831407223 TXHWNKGGOFCMSR-FXAWDEMLSA-N 393.484 -0.046 30 20 GBED C#CC(=O)N1CCC(N2CCC(NC(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1834328615 AERNKZXZVVZWRE-UHFFFAOYSA-N 398.467 -0.555 30 20 GBED COc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)n(C)n1 1835353829 DGDPMOBETAMFAR-SFHVURJKSA-N 391.428 -0.198 30 20 GBED COCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675220 XRYPYFRQRONOFM-LJQANCHMSA-N 396.488 -0.239 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)C(O)O)CC2)CC1 1836630755 FKZWZZAYTLQDRX-OAHLLOKOSA-N 384.473 -0.131 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1840839880 JWMLBGOUSZNYDH-LJQANCHMSA-N 395.525 -0.095 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1841599646 DDQNQGCKFIOUDH-LBPRGKRZSA-N 384.396 -0.727 30 20 GBED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1844285437 FIFFWBIBZCRPQX-CQSZACIVSA-N 377.397 -0.012 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cnncc2C(=O)O)C1 1844457962 KDRYQNDIQWWNLJ-PLNGDYQASA-N 399.407 -0.150 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@H](COC)NC(C)=O)C2 1845188624 NVXUOYPIQTYMIK-HNNXBMFYSA-N 395.456 -0.150 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCN(C)CC1 1847262331 UOUVYIBERXRGSP-FEFZKZJHSA-N 389.500 -0.706 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)OC)c1 25025697 JFJHYBFXIPOYIX-CQSZACIVSA-N 393.421 -0.898 30 20 GBED N#Cc1nc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)[nH]c1C#N 26270339 QPCFJWVKVNQMPG-UHFFFAOYSA-N 375.370 -0.246 30 20 GBED CCN(CC)C(=O)CN1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 74237119 OSQWJNQNIGZIKZ-UHFFFAOYSA-N 376.461 -0.664 30 20 GBED Cn1nc(Br)c2c(=O)n(CC(=O)N3CCOC[C@@H]3C#N)cnc21 175891627 LWXIKOINYIZBEP-QMMMGPOBSA-N 381.190 -0.357 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)Cn2cc(Br)cn2)CC1 264921133 PUCMVHKTAOOKNN-UHFFFAOYSA-N 382.262 -0.071 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(C)(C)C(N)=O)CC2)cc1 266709894 IPGMZHZJRZGOMK-UHFFFAOYSA-N 392.481 -0.380 30 20 GBED N#Cc1ncccc1S(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 277052709 QIORFROBKKWGKO-LBPRGKRZSA-N 388.471 -0.280 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)N(C)C 291473926 FKVOLFCDPYSPCN-NSHDSACASA-N 388.471 -0.767 30 20 GBED C=C(C)[C@H](CC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)OCC 330447852 IDEAVXNAVPQMNA-INIZCTEOSA-N 388.534 -0.006 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 349476750 PQAABQGZKUAOSG-SOAFEQHCSA-N 391.515 -0.371 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2C[C@@](C)(O)C2)c1C#N 349535503 AUTHIQYXUDJEEZ-GSJFWJNXSA-N 391.475 -0.446 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C(COC)COC)CC1 422432818 NOSVTGWFNSCMAN-RDJZCZTQSA-N 383.489 -0.111 30 20 GBED CNC(=O)N[C@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 466396154 NXBUDYFFVROBBE-YPMHNXCESA-N 379.442 -0.245 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 558672105 FQXGNQFIGIDOPF-WCQYABFASA-N 397.505 0.155 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCN(C)[C@@H](C)C3)CC2)c1C#N 574543076 RLWCQTVLXVUFCQ-ZFWWWQNUSA-N 387.488 -0.152 30 20 GBED N#CC1(NS(=O)(=O)c2ccc(S(=O)(=O)NC[C@@H](O)C(F)F)cc2)CC1 580095578 ZARNOTYTPBQTOO-LLVKDONJSA-N 395.409 -0.075 30 20 GBED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CCC(C)(C)C#N 580545787 QVKVZKLSVHGTMD-GFCCVEGCSA-N 379.504 -0.119 30 20 GBED CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)N2CCN(CCC#N)CC2)CC1 601425694 UCSJJXHKZZUVJV-INIZCTEOSA-N 392.504 -0.897 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3nnc(N4CCCC4)cc3C2)C1=O 621237233 DLYOONBEJNVQQW-UHFFFAOYSA-N 398.423 -0.062 30 20 GBED CN1CCCC[C@@H](C(=O)NCC#CCNC(=O)[C@H]2CCCCN(C)C2=O)C1=O 635785721 HUZCQYFVOYFUHP-IYBDPMFKSA-N 390.484 -0.261 30 20 GBED C=C(CNS(=O)(=O)C1(COC)CC1)CNS(=O)(=O)C1(COC)CC1 660128061 IVRMRJFPAKXQDV-UHFFFAOYSA-N 382.504 -0.261 30 20 GBED C#CCN1CCC(C(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 729416989 GZJVPDWJBHXQQE-UHFFFAOYSA-N 392.481 -0.005 30 20 GBED COc1ccc(S(=O)(=O)N(CC#N)CC(=O)O)cc1[C@@]1(C)NC(=O)NC1=O 738057564 DWMJJFDMTZFNAF-OAHLLOKOSA-N 396.381 -0.651 30 20 GBED N#Cc1c(N2CCN(C(=O)CN3CCCC3)CC2)cccc1S(N)(=O)=O 754994336 YOUXRKWBSOHLGX-UHFFFAOYSA-N 377.470 -0.050 30 20 GBED Cn1c(=O)ccn(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1=O 757589059 CHWYXZFSWKHDAO-NWDGAFQWSA-N 377.401 -0.578 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nnnn2CC2CCOCC2)C1=O 768670940 PDPIFYHVSRSNKN-UHFFFAOYSA-N 392.372 -0.880 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2ccccc2OC(F)F)c(=O)n(C)c1=O 771896616 DPEQDESZLYTHAF-UHFFFAOYSA-N 388.352 -0.002 30 20 GBED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2nnn(C)n2)C1=O 783007713 KVJQQYZCDJGZIN-GQDWROFLSA-N 388.457 -0.216 30 20 GBED C[C@H](OC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)C(=O)NC1(C#N)CCC1 787668408 TYNGZXNOKRUJIS-JTQLQIEISA-N 387.396 -0.317 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCCCN2CCN(C(C)C)CC2)C1=O 791822123 ABYFBKJTEDWFQL-UHFFFAOYSA-N 380.445 -0.078 30 20 GBED C#CCC[C@H](O)CNC(=O)[C@@H]1CC(=O)C[C@H](C)[C@H]1C(=O)NC[C@H](O)CCC#C 799082238 YRINEDHMIFELAI-AEXBHSQCSA-N 390.480 -0.001 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[C@H]1CCCO1 804261297 WNQQOVXTBVFVEP-ARFHVFGLSA-N 378.473 -0.658 30 20 GBED CCc1cc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n[nH]1 805854368 WXBBQJNNLDGBDW-UHFFFAOYSA-N 384.444 -0.149 30 20 GBED C[C@@H]1CN(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 807357937 LSADVQQXQWBWDZ-GFCCVEGCSA-N 381.410 -0.373 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@@H]1O 964615156 JJAXKSLRJCFHGR-WCVJEAGWSA-N 377.445 -0.583 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 968726444 MVNOXNYAUUIBOK-FQLMCAECSA-N 380.445 -0.929 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCOCCOC 1110181311 CERXJUWYRIFJKR-ILXRZTDVSA-N 382.461 -0.227 30 20 GBED C=CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CCCO1 1201042897 PCYQFGHOPMXFCG-NBOOPKSLSA-N 381.473 -0.453 30 20 GBED CSc1nc(O)c(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1C#N 1261753827 BMTYTBVQXGAHLV-UHFFFAOYSA-N 385.471 -0.055 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N2CCS(=O)(=O)c3ccccc3C2)CC1 1326504990 BXZUTWNMHMULET-UHFFFAOYSA-N 390.465 -0.093 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1331987282 WLFVMVHUGCWLAJ-QGZVFWFLSA-N 393.447 -0.195 30 20 GBED C=C[C@](C)(O)CC(=O)N1CCN(C2CN(C(=O)CCCc3cnn[nH]3)C2)CC1 1575075170 ZYQVSHOFFGXVJQ-IBGZPJMESA-N 390.488 -0.191 30 20 GBED N#Cc1ccc(C(=O)NC[C@@]2(O)CCN(c3ccc(-c4nn[nH]n4)cn3)C2)[nH]1 1581867529 LYKUGERKDFLPQJ-KRWDZBQOSA-N 379.384 -0.167 30 20 GBED C[C@H](C#N)OCCOC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588934745 SMRWDSSTZYWGKY-SNVBAGLBSA-N 380.386 -0.383 30 20 GBED C[C@H](CC(=O)NC1CC(CO)(CO)C1)/N=C1/NS(=O)(=O)c2ccccc21 1648024423 IQWLRAFKFMQSJB-LLVKDONJSA-N 381.454 -0.247 30 20 GBED C[C@@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779140231 VPAKCLWTOLDTHL-AHSURJHSSA-N 376.413 -0.337 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2 1781270286 GICWOSDSXGFRBG-SFHVURJKSA-N 392.412 -0.798 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781424331 LLIIYJHRKUVYNY-WMLDXEAASA-N 378.433 -0.091 30 20 GBED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1)n1cnnn1 1783684568 PWPCCBWFXBEMLQ-RFGFWPKPSA-N 375.433 -0.236 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784740401 HAEOKEZIBCBFAK-WMLDXEAASA-N 388.486 -0.158 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)C[C@@H]21 1790791605 IQTPICGDMFWYNV-FGPLHTHASA-N 378.454 -0.598 30 20 GBED CC(=O)Nc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)o1 1800777493 URDAYRMXGCIJGF-DPIQGUFMSA-N 389.364 -0.471 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CC)CCO2 1830510858 XMLHXQRGWJBZGU-RVBASHTNSA-N 395.456 -0.928 30 20 GBED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831216378 NEBOSQZAGNBULY-YWZLYKJASA-N 389.452 -0.453 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1831488081 VISWYCLSOYGRBP-WBVHZDCISA-N 397.501 -0.311 30 20 GBED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)CS(C)(=O)=O)CC2)CC1 1833485226 NVCTYSIKQWCTHB-AWEZNQCLSA-N 383.514 -0.128 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2 1833885827 XIZYKFBNJPRVMV-SFHVURJKSA-N 375.429 -0.311 30 20 GBED CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)CCC#N)CC2)CC1)C(=O)O 1834737590 VEVFWNANBYDKJL-INIZCTEOSA-N 393.488 -0.076 30 20 GBED Cn1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cn1 1835348039 MIGGQRUCGCKPQR-LJQANCHMSA-N 387.440 -0.277 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCN(C)CC1)CCO2 1836676587 KUEDATDHNIOGOF-IBGZPJMESA-N 380.489 -0.734 30 20 GBED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC=O)CCO2)C1 1839165972 BHGHFCKFSPXUEH-CZUORRHYSA-N 389.399 -0.211 30 20 GBED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)=O)C2)C1)C(F)(F)F 1839894731 OBKKHBAHZIALKE-OAHLLOKOSA-N 393.362 -0.303 30 20 GBED C[C@@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)CC1(F)F 1840045201 WKZCSVGYTQIIFQ-JKSUJKDBSA-N 386.351 -0.424 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1840159566 HJOZHJDIAIZWGC-NHYWBVRUSA-N 390.531 -0.222 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1840161235 IREFRLLATQYONB-JKIFEVAISA-N 397.501 -0.311 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1CCOC 254984817 BDVLETCWSJGXTE-UHFFFAOYSA-N 387.461 -0.048 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CCO1 264487949 VTNKQOFFJHXSIN-GFCCVEGCSA-N 391.815 -0.034 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 265001536 LJVIVALAIKSKBW-UHFFFAOYSA-N 376.417 -0.226 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 268720052 IEIQICNREMGQRG-XHDPSFHLSA-N 385.467 -0.082 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2O1 349458507 FEIVKDMFXICASE-NJVJYBDUSA-N 389.499 -0.187 30 20 GBED CN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NC2(C#N)CC2)CC1=O 349478811 HYLKGVSIQWDSFH-UHFFFAOYSA-N 398.466 -0.516 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CCOCC(F)(F)C2)CC1 349493160 JSURMHPNIRCCHJ-UHFFFAOYSA-N 387.430 -0.351 30 20 GBED CCN1CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)CC1=O 349511000 ZRDLTRDLXRKSKX-UHFFFAOYSA-N 380.492 -0.954 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)CC[C@@H]2C1 349521183 LHQLJXPLSIDMID-QWHCGFSZSA-N 392.503 -0.766 30 20 GBED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)O)C1 424434864 DSYHBSHMLZDJJW-GFCCVEGCSA-N 381.366 -0.784 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1 460711793 ATOQVMSDQGYEJL-CYBMUJFWSA-N 394.395 -0.378 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc(C(N)=O)n3)CC2)c1C#N 472893974 MEASTBILEICMCM-UHFFFAOYSA-N 396.411 -0.619 30 20 GBED CN(C)CCOc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1Cl 508940176 CVRCPSSEXJKVHQ-UHFFFAOYSA-N 381.820 -0.025 30 20 GBED CN1CCO[C@H]2CN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)C[C@@H]21 532124163 BJUABPMEAWFRSG-HOTGVXAUSA-N 378.454 -0.280 30 20 GBED CC(C)C(=O)NCCCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 550444442 VUGWFTLRFNGQPE-UHFFFAOYSA-N 397.439 0.415 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C(=O)NCCN(C)C)cc1 556905088 ZZLFBXHJNITBLP-CYBMUJFWSA-N 382.486 -0.053 30 20 GBED C=CCSCCNC(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 579989254 HQMCTQFFRCRXOI-XDQVBPFNSA-N 377.466 -0.055 30 20 GBED C[C@H](CN1CCOCC1)C(=O)NCC#CCNC(=O)[C@H](C)CN1CCOCC1 681340852 QEJDNENJYIWQIF-QZTJIDSGSA-N 394.516 -0.841 30 20 GBED N#CCOc1ccc(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 732068999 YHUGLUCLKLLJTJ-IAGOWNOFSA-N 393.465 -0.255 30 20 GBED CCOC(=O)[C@](C)(O)CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 768731641 LGLNXWSEQDLEMK-QGZVFWFLSA-N 397.453 -0.064 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(O)C2=O)cc1 820482447 KAJHJYSGAUVOQT-CYBMUJFWSA-N 399.425 -0.362 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 826894240 MBVCZSPESFPNPY-UHFFFAOYSA-N 387.484 -0.052 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCOCC(F)(F)C1 848958543 RQUBZQVZHRRNDL-UHFFFAOYSA-N 399.441 -0.538 30 20 GBED C#CCCNS(=O)(=O)CCCS(=O)(=O)Nc1cc(C)c(=O)n(C)c1 848966057 CPNMBERPZYMOQN-UHFFFAOYSA-N 375.472 -0.232 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N 850606108 PPWXYIQIVMUZTC-MPKXVKKWSA-N 381.410 -0.156 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCN(C)Cc2ccccc2)CC1 892261856 FXZPBVJPLIEQOI-UHFFFAOYSA-N 393.513 -0.087 30 20 GBED CC(C)NC(=O)[C@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 916947262 XXJILVLCQZPLLB-CYBMUJFWSA-N 382.442 -0.107 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 941237751 IVEYCPFZZPZAHA-FLXSYLCISA-N 375.469 -0.147 30 20 GBED C#CCOc1ncccc1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nnn(C)n1 1005179146 ZQZHLMDMYCOOAF-BNOWGMLFSA-N 381.396 -0.207 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn3c(n2)COCC3)C1 1024401677 PLMJHWSTMQXUGL-SHFYGJNESA-N 390.440 -0.304 30 20 GBED C#CCC1(C(=O)NCC2(O)CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)CCC1 1043348904 XTANISMZVZUDLA-HRCADAONSA-N 376.453 -0.079 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCC(=O)NCC 1109061708 QYBJEMHVEXCQIF-RDBSUJKOSA-N 379.461 -0.364 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CC(=O)N(C)C1 1109360830 HAVOKIWUCPVFAE-FZKCQIBNSA-N 375.473 -0.052 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CN(C)CCO1 1110419754 YJUXAIGEKIVUKF-NCOADZHNSA-N 377.489 -0.199 30 20 GBED C=CCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(O)CCOC1 1121631184 IJFHLEKSQLGZNH-GOSISDBHSA-N 392.460 -0.354 30 20 GBED C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1 1198799205 IPNYEEPQYIVYNQ-SJXGUFTOSA-N 377.391 -0.021 30 20 GBED Cn1cc(C=Nn2cnc3c(cnn3-c3ccccc3)c2=O)c(=O)n(C)c1=O 1321482689 HQVUXURKEUSGDQ-UHFFFAOYSA-N 377.364 -0.138 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CCNC(=O)[C@H]1c1c(C)nc2ccccn12 1324239092 PICROYFEXKLNBO-CZUORRHYSA-N 385.424 -0.041 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)C1 1326532779 PPEUVBAKYQCVKF-LJQANCHMSA-N 386.408 -0.446 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1 1328220617 NMVVGRUBRNKRSB-IBGZPJMESA-N 386.408 -0.025 30 20 GBED N#CC1(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CCC1 1328700142 LIVLSIDKNXXFRM-VXGBXAGGSA-N 383.426 -0.872 30 20 GBED N#CC[C@]1(O)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)C1 1332492266 DAJWAOYBAMDMDH-KRWDZBQOSA-N 394.453 -0.339 30 20 GBED CN(C)CC#CCNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C 1338487666 BIYSBZITJSDRCF-UHFFFAOYSA-N 387.527 -0.135 30 20 GBED CC(C)NS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1541713100 QVGIGPVSTNYGMV-UONOGXRCSA-N 398.489 -0.161 30 20 GBED C#CCNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C(C)(C)C1 1573285451 IFRCXRONNJSNCS-SMDDNHRTSA-N 384.444 -0.227 30 20 GBED C=C[C@](C)(O)CC(=O)N1C[C@H](O)[C@H](NC(=O)CCCCCc2cnn[nH]2)C1 1575073434 PLEUSHSXRKDJSD-VKJFTORMSA-N 379.461 -0.077 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1602721634 QSTRJLCEFYWSJS-HIFRSBDPSA-N 382.428 -0.377 30 20 GBED C#CCOCCC(=O)N1CCO[C@H]([C@H](C)Nc2ccc(-c3nn[nH]n3)nn2)C1 1602727071 KORSJJKCOLOFIX-JSGCOSHPSA-N 386.416 -0.276 30 20 GBED C=CCC1(O)CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 1602818265 JXKHYUMFYGEFFC-LLVKDONJSA-N 392.441 -0.317 30 20 GBED Cn1c(N2CCN(c3ccc(C#N)cc3)CC2)c(-c2nn[nH]n2)c(=O)n(C)c1=O 1606217304 GFZLPTOWGKROCM-UHFFFAOYSA-N 393.411 -0.538 30 20 GBED CC(C)N1CCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791811069 CVYBHBGNVFOPIM-QAETUUGQSA-N 391.468 -0.073 30 20 GBED Cc1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)c(=O)[nH]c1C 1795409167 OIKVTRZQZCAZFK-BTTYYORXSA-N 385.424 -0.106 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c(=O)cn1 1798634276 OGBPDINCOLSEMX-FAXLKDOZSA-N 390.440 -0.454 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccnnc2O)[C@H]1c1cccnc1 1811232325 IOBDNACRGNNGEB-CXAGYDPISA-N 395.375 -0.015 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1830056316 SHTALQBJAUYZIK-QGZVFWFLSA-N 377.401 -0.265 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CC)CCO2)C1 1830521993 YZDMQIXIILSUFX-ZRGWGRIASA-N 384.473 -0.213 30 20 GBED CNC(=O)CC(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1833438064 NMWXDJKBSYUNOI-UHFFFAOYSA-N 375.473 -0.002 30 20 GBED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=N)N)CC2)CC1 1833474079 URANZGJQFNMUQA-CQSZACIVSA-N 394.520 -0.368 30 20 GBED C[C@@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834768991 TVWJCQIXECCTIQ-MAUKXSAKSA-N 375.429 -0.111 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835707880 SVPTZGLNNKNQHX-JCKWVBRZSA-N 394.497 -0.144 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)CCC1 1836213505 KJHNHCIOGJMWGZ-SFHVURJKSA-N 388.428 -0.572 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)CC)C2)C1 1837402214 AFEVWDYWMYLMFY-BEFAXECRSA-N 382.457 -0.005 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncon3)C2)C1 1839226645 CMYYANZEJWQXRU-SUMWQHHRSA-N 395.416 -0.060 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1841601874 GLUOSYCPEIWXDJ-IRXDYDNUSA-N 376.501 -0.136 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2 1844239290 YKAWGSKPUQJJIS-GFCCVEGCSA-N 381.429 -0.694 30 20 GBED Cc1oc(NC(=O)CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(C#N)c1C 265477198 RIFQXYFFAKRTOB-LSDHHAIUSA-N 396.469 -0.206 30 20 GBED CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 298215486 VDXACJNFHHTECJ-STQMWFEESA-N 395.489 -0.104 30 20 GBED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1 367687791 YCALYDBABYUWHC-LBPRGKRZSA-N 382.446 -0.186 30 20 GBED N#Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)c(Cl)c1 424444319 ZWGXRQPNRITTFY-LLVKDONJSA-N 385.785 -0.140 30 20 GBED CC#CCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)NCCOC)c1 435054466 CQXVRDFYQJSFMX-UHFFFAOYSA-N 383.426 -0.302 30 20 GBED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCOC[C@H]2C#N)CC1 471245775 WTGWTVKWAXRGST-CQSZACIVSA-N 397.457 -0.651 30 20 GBED N#CCC1(O)CN(S(=O)(=O)c2ccc(S(=O)(=O)Nc3cnc[nH]3)cc2)C1 519181425 BWCNZSCJEKYEPY-UHFFFAOYSA-N 397.438 -0.140 30 20 GBED CN(CCOCc1ccc(C#N)cc1)S(=O)(=O)N1CCS(=O)(=O)CC1 561723824 RHPBAXPBSOZTKD-UHFFFAOYSA-N 387.483 -0.018 30 20 GBED C[C@H](C[S@@](C)=O)NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 579517457 XKKZCRUAGMLWTJ-KRVZWGSESA-N 390.465 -0.341 30 20 GBED C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCC(=O)NCC#N 588077217 RXFYHWNTHJSHLC-NSHDSACASA-N 396.425 -0.729 30 20 GBED Cc1nsc(N2CCN(C(=O)NC[C@H]3CS(=O)(=O)CCO3)CC2)c1C#N 589615322 ACWYUOJNWCMCSN-LBPRGKRZSA-N 399.498 -0.032 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 609457628 FTDJRWNRFXPHJU-OAHLLOKOSA-N 384.440 -0.062 30 20 GBED CC(=O)NC[C@@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCO1 609794327 NESBHGVQZWZZCV-MRXNPFEDSA-N 379.438 -0.163 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCSC[C@@H]2CC(=O)O)c1=O 736116432 AKQHWDGTFIOBDD-LBPRGKRZSA-N 382.442 -0.607 30 20 GBED COC(=O)C[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C(=O)O 737589091 ARPVBIAFXLBEEM-LLVKDONJSA-N 383.382 -0.457 30 20 GBED COC(=O)C[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C(=O)O 737589094 ARPVBIAFXLBEEM-NSHDSACASA-N 383.382 -0.457 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 759259557 OEWBYUCHXIXSDM-UHFFFAOYSA-N 396.425 -0.341 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(OCC#N)cc1 771896529 BOQDJKKBVDMTGA-UHFFFAOYSA-N 391.409 -0.311 30 20 GBED C=CCS(=O)(=O)CCNC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 783011520 LKMKOPUOYNJIKY-XDQVBPFNSA-N 381.454 -0.307 30 20 GBED C=CC[C@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccncc1 805811636 SNYBHTVYXQSNIX-INIZCTEOSA-N 399.451 -0.236 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)C1=O 806715510 IJDVFUMLIMQCHC-ZIAGYGMSSA-N 381.429 -0.730 30 20 GBED C#CC[C@@H](CO)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 816674015 OBRZROSDLQQIPQ-HNNXBMFYSA-N 395.481 -0.053 30 20 GBED COCC#CCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 826146776 COVAXFILVUNGCN-NSHDSACASA-N 379.398 -0.274 30 20 GBED N#CCc1ccccc1C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 916511887 BJVVTHLPOIIGCR-LBPRGKRZSA-N 379.394 -0.078 30 20 GBED C#CCN1CCC[C@@H](NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 923577195 ZEAZNWWHPIRMJB-MSOLQXFVSA-N 376.501 -0.087 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@H](OC)C2)nn1 946905286 CAYQBBLNIZXITP-RIQILIMLSA-N 375.429 -0.013 30 20 GBED N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nccnc2C(N)=O)[nH]1 996108479 JQZNZFVGTQSWKL-WXHSDQCUSA-N 379.380 -0.049 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCNC(=O)C1 1006389091 OMWWOQJPTDNOTF-SUJAAXHWSA-N 376.457 -0.743 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 1022750839 UTYWYMGXVSJRLA-YJNKXOJESA-N 375.429 -0.768 30 20 GBED N#Cc1cncc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C2CC3(C2)NC(=O)NC3=O)n1 1055356417 PDBATCVWPBUQSW-GNTREHPQSA-N 381.396 -0.438 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC1(CS(C)(=O)=O)CC1 1109283193 LHCKCKXVBZDDLH-ILXRZTDVSA-N 381.498 -0.328 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@@H]1CCCS(=O)(=O)C1 1109936327 RZEKNBRNIGSVGL-XGUBFFRZSA-N 382.486 -0.437 30 20 GBED O=C(NCC#Cc1ccccc1)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 1117008594 OPLPUMFDLHVFET-UHFFFAOYSA-N 398.463 -0.843 30 20 GBED C#CCNCC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1121946679 ZVSOBWMGUWKOJF-UHFFFAOYSA-N 385.467 -0.410 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 1318923116 IKNRZGSVDYTYEE-GFCCVEGCSA-N 386.455 -0.839 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1321225576 JTOWWJZTQVDSLE-ZDUSSCGKSA-N 378.520 -0.340 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C 1321852265 LDROLSXDTPTOEP-STQMWFEESA-N 375.491 -0.082 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NCC)C1 1322617543 AZWRSDSGFDSSGH-OAHLLOKOSA-N 393.465 -0.145 30 20 GBED N#Cc1cccc([C@@H]2CN(C(=O)C(=O)NCCN3C(=O)CCC3=O)CCO2)c1 1324615690 RRFAAIKFCOFQFV-HNNXBMFYSA-N 384.392 -0.277 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)C1 1327746901 DEMWPGYTZSJNOT-LQWHRVPQSA-N 398.463 -0.025 30 20 GBED C=CCn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1C(C)(C)O 1342367215 LMXGPBQTTLIDGA-UHFFFAOYSA-N 376.461 -0.038 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H](C)C[S@](C)=O 1343056042 YMVCOOZGNYLQLY-VCQIMIBNSA-N 378.458 -0.731 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)N3CCOCC3)CC2)CC1 1346144587 WZWSUGRTEVXNPV-UHFFFAOYSA-N 393.488 -0.651 30 20 GBED C[C@H]1C[C@@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)C(=O)N1c1cnn(C)c1 1346987913 NPGIKWSWBAGJSN-SWLSCSKDSA-N 387.444 -0.866 30 20 GBED Cc1c(C#N)c(=O)n(CC(=O)N2CCN(C(=O)c3ccco3)CC2)c(=O)n1C 1559448972 XPMWMMHKUNKNBM-UHFFFAOYSA-N 385.380 -0.695 30 20 GBED N#Cc1ccc(N2C[C@@H](C(=O)N3CCS(=O)(=O)C[C@H]3C(=O)O)CC2=O)cc1 1574489044 XPGKFGAQTJSWGT-JSGCOSHPSA-N 391.405 -0.379 30 20 GBED CO[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1579862292 XLYYICWZYNSJOF-CHWSQXEVSA-N 380.372 -0.510 30 20 GBED N#C[C@@]12CN(C(=O)COc3ccc(-c4nn[nH]n4)cc3)C[C@H]1CS(=O)(=O)C2 1581859654 OGFWQNNMOKLRAQ-LRDDRELGSA-N 388.409 -0.358 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1c1ncc(-c2nn[nH]n2)cc1F 1588357477 MKOSKDBGEWIOJX-WCQYABFASA-N 389.391 -0.240 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[C@H](C)N=c1cc[nH]c(-c2nn[nH]n2)n1 1588404199 FKILODJWDVPLKY-WCQYABFASA-N 387.448 -0.144 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CC(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588405497 OHOXFIKBUJWGAU-AWEZNQCLSA-N 386.416 -0.394 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@]1(C)CN(c2nccnc2-c2nn[nH]n2)CCO1 1588504381 KICKEGBGMGIZOP-IAGOWNOFSA-N 388.432 -0.305 30 20 GBED C#Cc1ccc(C(=O)N(C)C[C@H](O)CNc2ccc(-c3nn[nH]n3)nn2)cn1 1602735764 RPLUSZINUMYZQQ-CYBMUJFWSA-N 379.384 -0.422 30 20 GBED CNC(=O)NC1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1651075231 RIQMESVAQZCUCY-UHFFFAOYSA-N 379.442 -0.243 30 20 GBED Cc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1C(=O)O 1776052188 NOQDOLINUNZMQZ-UHFFFAOYSA-N 380.382 -0.597 30 20 GBED NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779105634 GPMWCBCPCXIQJL-HLNVMSFQSA-N 396.444 -0.389 30 20 GBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1781692477 OZDIEBRXBPKELP-MBOZVWFJSA-N 376.501 -0.231 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782955139 WYVNAVHUEOBDRM-GUYCJALGSA-N 383.470 -0.057 30 20 GBED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)C2 1783164562 HDMNUCBOZNAHOK-SPYBWZPUSA-N 378.473 -0.494 30 20 GBED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2C(=O)CNC2=O)C1 1793759565 AHJKLLUBEGSPHP-YWVIFJGQSA-N 376.413 -0.906 30 20 GBED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1 1795890223 MOMQXUMONKKQTR-JLVBRIDZSA-N 377.445 -0.150 30 20 GBED COC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1801202377 KGGSBBIOCIXMDV-HGKCTWBKSA-N 385.420 -0.016 30 20 GBED CC(C)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1801573897 CQSIIZGVVBLDAP-KRXQYRFLSA-N 377.441 -0.463 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834848175 JFTXNKGPKTVMPQ-DNVCBOLYSA-N 398.456 -0.013 30 20 GBED CO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840209388 NMRFEDDNBREYEM-SJQBNMSZSA-N 396.488 -0.051 30 20 GBED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCn1cncn1)CCO2 1840357328 WWWXJRPFEGLOHG-QGZVFWFLSA-N 376.417 -0.572 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CC(=O)C3)CCO2)C1 1840831100 UHFZJBXDVIHPLY-AUUYWEPGSA-N 378.425 -0.540 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N(CCOC)CC(=O)N(C)C)cc1 48967949 ZPFXAKQLFCMLAY-UHFFFAOYSA-N 381.454 -0.225 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCOC[C@@H]2C#N)cc1 268116130 PWFWYWUXDJSGNS-ZDUSSCGKSA-N 381.410 -0.107 30 20 GBED CS(=O)(=O)N1CCN(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 268305835 INFFMHXLYUWBQG-UHFFFAOYSA-N 392.485 -0.821 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)CN2CCN(CC)CC2)C1=O 284440154 WKUXWJYUCJPKJX-SJORKVTESA-N 393.532 -0.379 30 20 GBED CC(C)NS(=O)(=O)NCCNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 292478454 BQBABULHPAHIEE-AWEZNQCLSA-N 396.473 -0.052 30 20 GBED C[C@@]1(C(N)=O)CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 297924605 URAXHWIGNMQESE-OXQOHEQNSA-N 383.452 -0.053 30 20 GBED CS(=O)(=O)NC[C@@H]1CCCN(/C(O)=N/C[C@H]2CCCN2S(C)(=O)=O)C1 328833579 WFRCYJBKUQUWKY-QWHCGFSZSA-N 396.535 -0.414 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](S(=O)(=O)NC)C2)cc1 362131886 QFDQUJAIQOQBDL-CQSZACIVSA-N 385.467 -0.638 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC)C1 372151842 ZZZSMBOXPSVESQ-LBPRGKRZSA-N 383.401 -0.074 30 20 GBED Cn1cc(S(=O)(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c(=O)n(C)c1=O 378319633 XUSQRHNCXDFJLR-CQSZACIVSA-N 390.421 -0.282 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCC[C@H](CO)[C@@H]3C)CC2)c1C#N 414603855 WXCYNYSNNYFOIR-LSDHHAIUSA-N 388.472 -0.132 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCO[C@@H]2c2nccn2C)C1=O 433167971 KUMJJJBZHNQIRA-AAEUAGOBSA-N 375.385 -0.267 30 20 GBED CCOC(=O)c1c(NC(=O)NCCS(N)(=O)=O)c(C#N)cn1CCOC 481454189 XGEIMWVYIPTHLH-UHFFFAOYSA-N 387.418 -0.407 30 20 GBED C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NCC(=O)NCC#N)CC2)C1 511917843 ABMYFCLVVDDPEU-LSDHHAIUSA-N 378.477 -0.352 30 20 GBED COCC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 572057926 CLNMJNIAAJAAOQ-RYUDHWBXSA-N 391.471 -0.447 30 20 GBED C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1cccc(C#N)c1 587706431 WKKMZNHZMFYIBE-CYBMUJFWSA-N 397.435 -0.315 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CC(N)=O 609416439 BJVCCMYLQIPQMB-UHFFFAOYSA-N 396.472 -0.183 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2nnc(C3CC3)o2)C1=O 726043501 VPBVXJWRTQZOFV-UHFFFAOYSA-N 377.313 -0.595 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(C)c(NS(C)(=O)=O)c2)CC1 728533767 SPCMDDGZJABRSN-UHFFFAOYSA-N 392.481 -0.126 30 20 GBED CCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)cn1 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20 GBED CC#CCS(=O)(=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 810775357 BZQUZJKWFVHVMN-LBPRGKRZSA-N 387.458 -0.029 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(C)c2Br)CC1 831568580 KYOUQZSZKMEODP-UHFFFAOYSA-N 390.263 -0.592 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@]1(C)CCOC1=O 848956492 RTWBYJSSYPODRW-HZMBPMFUSA-N 387.439 -0.139 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CCc2cccs2)CC1 872515505 OUXLHWLASRYQOE-UHFFFAOYSA-N 377.513 -0.294 30 20 GBED C#CC1(O)CN(C(=O)CCc2cccc(CCC(=O)N3CC(O)(C#C)C3)c2)C1 890525458 WWUNOOZZXWMMAB-UHFFFAOYSA-N 380.444 -0.035 30 20 GBED CS(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cn1 918268610 GXZPIKXTVWHTQX-UHFFFAOYSA-N 388.409 -0.081 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)C[C@H]2OC)nc1 944090834 HYNWOJRKOUDCOV-BASLNEPJSA-N 384.436 -0.067 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1C 957045879 VWGNOGJLVITLPH-TUVASFSCSA-N 392.456 -0.175 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@@H]2O)nn1 964278854 MZMGWIGFUNXSIO-NCZKRNLISA-N 385.428 -0.318 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H]1CC 985274706 HVLFSOWHNJWIDX-RQJABVFESA-N 378.429 -0.375 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@H]3C2)c1 985894075 KBOOCZLHBKWBKD-BFJAYTPKSA-N 385.424 -0.160 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccncc3)C[C@H]2O)nn1 1023771049 JZTPFQJBGJCSLL-KLZNWCGWSA-N 382.424 -0.036 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1057576922 RZBKEVXPDMTCNN-UFYUIRFASA-N 393.484 -0.182 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CC(=O)N(CCOC)C1 1109363095 QHPXIRGUOIWJPO-FZKCQIBNSA-N 378.473 -0.495 30 20 GBED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(C#N)c(F)c2)C1 1118100824 NZFYZCWVYFJYID-CYBMUJFWSA-N 382.417 -0.146 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCOC3(CCOCC3)CC2)CCN1C1CC1 1118954115 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376.335 -0.515 30 20 GBED C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 1326911510 DPNPTTSERADLEB-SFHVURJKSA-N 375.429 -0.912 30 20 GBED CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C(=O)N1CCN(CCC#N)CC1)CC2 1329395313 GIZSYBXHHRQVSF-CVEARBPZSA-N 378.473 -0.177 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)O1 1343310760 WPIOMOVVMQIKAN-KBPBESRZSA-N 388.428 -0.767 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)C1 1345880578 XEWIWVQTTMUJML-DNVCBOLYSA-N 385.424 -0.434 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 1350308792 FZKKVQPLLISFIM-UHFFFAOYSA-N 386.452 -0.068 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@H](CO)NCc1ccc(F)c(-c2nn[nH]n2)c1 1573286617 GHWPWZQCMLGZBE-WCQYABFASA-N 376.392 -0.389 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588353402 QNCXGOVUWAFHAM-FIXIBIHLSA-N 382.428 -0.332 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@@H]1COCCN1c1nc(C)cc(-c2nn[nH]n2)n1 1588504743 LUPBFXRSENVDBY-PXAZEXFGSA-N 388.432 -0.386 30 20 GBED C=CCCOCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1O 1588615925 NLBHJSLDHMJGSE-CHWSQXEVSA-N 375.389 -0.911 30 20 GBED N#CC1(C(=O)O)CCN(C(=O)C(=O)N2CCc3c(cccc3C(N)=O)C2)CC1 1601049208 OJYHNXAAZWZSSD-UHFFFAOYSA-N 384.392 -0.113 30 20 GBED O=C(O)C[C@H]1CS(=O)(=O)CCN1CC#CCN1C(=O)c2ccccc2C1=O 1601969249 ZWSICJAFUXRZBB-ZDUSSCGKSA-N 390.417 -0.140 30 20 GBED C#CC1(O)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 1602690267 AHURUDWIUFXIDC-CYBMUJFWSA-N 395.379 -0.722 30 20 GBED C=C(CCC(=O)OC)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[nH]n1 1602768267 VWLVSCROCSHHQP-UHFFFAOYSA-N 376.377 -0.126 30 20 GBED C[C@](CO)(NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C(=O)O 1604196474 RAWMBVLRSHTUCG-CRAIPNDOSA-N 378.404 -0.040 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc(O)[nH]3)C2)C1 1779641957 RWTRBBSHPOCCRE-SFHVURJKSA-N 390.444 -0.159 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783158668 IXPFWHGJOCETLM-KUHUBIRLSA-N 391.472 -0.766 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn[nH]c3)C[C@@H]21 1783530812 IJZQOJBWNHQJDU-OECAHVLASA-N 387.440 -0.139 30 20 GBED C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567577 SCEROTDSVHGODC-KUHUBIRLSA-N 387.392 -0.233 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1783567744 XPGHUXCBRFXNOD-DJJJIMSYSA-N 386.408 -0.568 30 20 GBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2 1783915326 ACPSUPLVBZLZCL-YJBOKZPZSA-N 382.413 -0.113 30 20 GBED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c1 1799748531 IOPZVZLCADSXOK-IVWMJMPLSA-N 385.351 -0.011 30 20 GBED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1832461061 OOOOZALPPCGTJL-QGZVFWFLSA-N 385.486 -0.502 30 20 GBED COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1833864126 DHKCMRVXMYUPOH-YVEFUNNKSA-N 398.485 -0.183 30 20 GBED Cc1ncsc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834268376 KXWSLYMVLZXBIZ-QGZVFWFLSA-N 393.421 -0.390 30 20 GBED Cn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1O 1835340675 DPXAHZAODIRRRF-SFHVURJKSA-N 389.412 -0.501 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1835364290 PHUYYTZJVKZOME-QGZVFWFLSA-N 376.417 -0.572 30 20 GBED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)N1C[C@H]2C[C@H]2C1 1837283978 YHIYFLYKAYDTDY-JEWRLFTDSA-N 376.457 -0.303 30 20 GBED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN)C3)C2)c1 1838581736 LULIULQTGMUQLG-IBGZPJMESA-N 388.424 -0.404 30 20 GBED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(N)=O)CCO2 1839861901 MXISTAJTGRLULK-LJQANCHMSA-N 397.472 -0.309 30 20 GBED Cc1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)s1 1840041063 NJTLNHVOUANUJW-KRWDZBQOSA-N 393.421 -0.390 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840381418 JLJSPHLYUBCMNT-INIZCTEOSA-N 381.458 -0.071 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840409938 LPIHDZCSFGHNCS-GUYCJALGSA-N 396.469 -0.370 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)CN2CCNC2=N)C1 1842908706 UQCIYVKUQZWILX-UHFFFAOYSA-N 375.477 -0.688 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnc(O)nc1O 1847261494 RQKYRXLUSRDOCE-LDIIPZEWSA-N 387.396 -0.438 30 20 GBED O=C1NC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=N/O[C@@H]2CCCCO2)O1 1847848967 OBFSLHRQFSREST-SSHXVGINSA-N 380.401 -0.174 30 20 GBED CC/N=C(/NCCN1CCN(C(C)=O)CC1)N1CCO[C@@H](c2cnn(C)c2)C1 261690436 FCEQFYSXKRNZFI-GOSISDBHSA-N 391.520 -0.077 30 20 GBED C/N=C(/NCC(=O)N(C)C)N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 262298809 ZCEGLYAHEXKWGD-IYBDPMFKSA-N 380.537 -0.228 30 20 GBED N/C(=N/Cc1ccccc1S(N)(=O)=O)N1CCN(c2ncccn2)CC1 262312431 ODGWSNVBNRVLRK-UHFFFAOYSA-N 375.458 -0.239 30 20 GBED C=CCn1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)n[nH]c1=O 268289634 DIINBSHUHTXYJQ-UHFFFAOYSA-N 397.482 -0.144 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N(C)CCN2CCOC(C)(C)C2)C1=O 297742907 GZFQJZCYUAUIPR-OAHLLOKOSA-N 380.489 -0.199 30 20 GBED CCc1c(/C(O)=N/C[C@H]2CN(C)CCO2)cnc2c1c(=O)n(C)c(=O)n2C 328691361 RHXSYWZSTCOSNZ-NSHDSACASA-N 375.429 -0.170 30 20 GBED C[C@H](/C(O)=N/CCN1CCCS1(=O)=O)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 329731240 ICUIQUFOXMSECK-VEGXAWMVSA-N 385.442 -0.471 30 20 GBED CNS(=O)(=O)NC1CCN(/C(O)=N/CCN(C)CC(F)(F)F)CC1 331354377 PNKPUYQWYUGAOY-UHFFFAOYSA-N 375.417 -0.087 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H]2C[C@@H](O)CC[C@H]2C1 349468871 VWJYFXFCYLOLET-FQUUOJAGSA-N 379.504 -0.369 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N[C@H](C#N)C(C)(C)C)C[C@H]1O 349498029 AGLMTBZUYDNXDG-JHJVBQTASA-N 381.520 -0.123 30 20 GBED N#CC1(NS(=O)(=O)CCCCS(=O)(=O)N2CCc3c[nH]nc3C2)CC1 349619594 PEVVOLCVVQHPKY-UHFFFAOYSA-N 387.487 -0.147 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN2C(=O)OC[C@H]2C1 366301267 WTVCSKWQVPPBEQ-WCQYABFASA-N 378.410 -0.112 30 20 GBED C[C@H](NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C(=O)NCCF 374470686 FWGJUCFGXAGQPI-JTQLQIEISA-N 390.350 0.412 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](OCCOC)C[C@@H](CO)C1 430416793 JXNZALLXAGGAJA-NCOADZHNSA-N 384.473 -0.044 30 20 GBED CS(=O)(=O)N1CCN(CC(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1 461738700 BAZOZDZVWNZIRJ-UHFFFAOYSA-N 378.454 -0.275 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O 543816313 FLOSRTOPOZIVEN-GFCCVEGCSA-N 382.442 -0.674 30 20 GBED N#CCN(C1CC1)S(=O)(=O)c1cccc(S(=O)(=O)NC2(C(N)=O)CC2)c1 578452997 APUYOOHTNKWXEC-UHFFFAOYSA-N 398.466 -0.341 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)CNS(=O)(=O)c3cccnc3)CC2)c1 589268691 DZTQXMWVHLSSCZ-UHFFFAOYSA-N 386.437 -0.025 30 20 GBED C[C@H](O)CN(C(=O)C(=O)N1CCN(c2ccsc2C#N)CC1)[C@@H](C)CO 595168757 DCGVSZDXDGAQBQ-STQMWFEESA-N 380.470 -0.141 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCC(=O)N1 595962434 RHJGVUMUBKRVNB-QWRGUYRKSA-N 386.455 -0.566 30 20 GBED N#C[C@@]1(F)CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C1 615607338 IELCYMCKPUYION-INIZCTEOSA-N 380.401 -0.115 30 20 GBED CC(C)(C)OC(=O)N1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)[C@H](C#N)C1 754385978 PHJWICKOXPVVDW-GFCCVEGCSA-N 377.401 -0.102 30 20 GBED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cnn(CC)c2)c1=O 758076365 GTNBIVSSRVNFJD-CYBMUJFWSA-N 399.476 -0.586 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 758086148 GEDYSGOOOHPKPE-ZWNOBZJWSA-N 388.829 -0.340 30 20 GBED C#CCNS(=O)(=O)c1cccc(-c2nc(-c3ncn(CC(N)=O)n3)no2)c1 761939597 QCLWXIJDSAFYJS-UHFFFAOYSA-N 387.381 -0.608 30 20 GBED N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCC1 771073325 HIRWPBOAVBMJJK-AAXDQBDMSA-N 381.410 -0.711 30 20 GBED CC(C)(C#N)CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 791331254 RUPAYDITFCSKKZ-GFCCVEGCSA-N 377.488 -0.413 30 20 GBED C=CCOC[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 796455674 MCASWCRVRNRNSO-ZDUSSCGKSA-N 395.437 -0.024 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NCC=C)cc1 811832061 VJEGGKKBYLIVPO-UHFFFAOYSA-N 379.394 -0.233 30 20 GBED CN(C[C@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)N1CCO[C@H](C#N)C1 819881743 TWGRWAASUGSGMP-VXGBXAGGSA-N 378.451 -0.727 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCN1C(=O)N[C@@H](C)C1=O 837582203 DRPSUWZJJMGVER-QWRGUYRKSA-N 394.409 -0.291 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCN([C@@H]4CCNC4)CC3)CC2)cc1 868409348 BQAVDBSHBBOAON-LJQANCHMSA-N 396.495 -0.287 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 913378579 FCGABXAGUOMQGM-SECBINFHSA-N 389.368 -0.811 30 20 GBED N#CCCNC(=O)CN1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 918740563 QFPPZFPQVFJMEB-UHFFFAOYSA-N 376.442 -0.101 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccc3nn[nH]c3n2)[C@H](OC)C1 942188345 VNCVPBJMLHULGF-QPKOPYBWSA-N 386.412 -0.100 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnc3c2nnn3C)C[C@@H]1O 970706960 SPISZAGELWOCGT-ZZVYKPCYSA-N 386.412 -0.744 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2nc(C)nc(N(C)C)n2)C[C@H]1O 1041385795 LHMZLBJTCWVGDA-YJNKXOJESA-N 376.461 -0.107 30 20 GBED N#CCN1CCC(NC(=O)C(=O)NCCNC(=O)c2ccccc2F)CC1 1117282012 YUFXROZAPHZUQM-UHFFFAOYSA-N 375.404 -0.224 30 20 GBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@@H]1n1ccnn1 1129930623 NOPJQKOFTGQDEK-OLMMMNRUSA-N 388.472 -0.119 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CCNS(=O)(=O)CC)C[C@@H]1O 1219656104 KWVZOWHIPLUVSX-KBXIAJHMSA-N 375.491 -0.932 30 20 GBED NC(=NOCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Br)o1 1252518437 IFSHFYLGHCJQBH-SSDOTTSWSA-N 380.220 -0.018 30 20 GBED CS(=O)(=O)CCN1CCC(NC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 1318357616 NMJSJPNWTNABFO-UHFFFAOYSA-N 392.481 -0.087 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCCN(C(=O)OCC)CC1 1324414760 YJNLBECGMXQUNE-UHFFFAOYSA-N 375.447 -0.606 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N(C)[C@@H]3CCNC3=O)CC2)c1C#N 1325419369 OELCLRAQLUEOGZ-GFCCVEGCSA-N 376.442 -0.681 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC(C(=O)N3CCOCC3)CC2)nn1 1326249038 BLOJMNAXROXZQU-UHFFFAOYSA-N 390.444 -0.822 30 20 GBED CO[C@H]1CN(C(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)C[C@H]1OC 1328573580 SYPHCTSLYLGBCJ-OKILXGFUSA-N 393.469 -0.156 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)CC1 1340515514 OGFWEGWTGIJFNZ-OAHLLOKOSA-N 399.513 -0.748 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[C@@](F)(CO)C3)C2=O)cc1 1342867783 JGWMKGYHKPMSMG-BEFAXECRSA-N 388.399 -0.292 30 20 GBED C#Cc1cccc(CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)c1 1345398176 SGQIQUGYFQPKCL-UHFFFAOYSA-N 384.436 -0.521 30 20 GBED CNC(=O)[C@H](C#N)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1347064504 ZSIUXSCDRTXLQQ-GFCCVEGCSA-N 381.410 -0.215 30 20 GBED COc1ccc(CN(CCO)C(=O)C(=O)N2CCO[C@H](C#N)C2)c(OC)c1 1348240136 NTGUIMNNDPTBKM-OAHLLOKOSA-N 377.397 -0.224 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1CCC(O)CC1 1449702016 LOMBWSJKCPAWRT-UHFFFAOYSA-N 380.470 -0.312 30 20 GBED CCCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1547257011 UYMOFVPPXOHHLK-OLZOCXBDSA-N 396.473 -0.565 30 20 GBED C=CCCn1cc(C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)nn1 1573341145 IVJQUEWSMNXHLL-UHFFFAOYSA-N 381.404 -0.213 30 20 GBED Cn1c(=O)[nH]c(N2CCN(c3ccccc3-c3nn[nH]n3)CC2)c(C#N)c1=O 1581747888 JAOMSUOJWNEEFE-UHFFFAOYSA-N 379.384 -0.548 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](n2cc(C(=O)O)nn2)C1)[C@@H]1CCCO1 1588370657 JTUJGUVNNUIOKF-OBJOEFQTSA-N 375.385 -0.563 30 20 GBED N#Cc1cncc(N2CCC(O)(CNc3cncc(-c4nn[nH]n4)n3)CC2)n1 1606389672 DEEPVXGOGQGPJF-UHFFFAOYSA-N 379.388 -0.238 30 20 GBED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)Cn1nccn1)CCO2 1779140215 VGRJCWSXZOZLPK-HRYJJRBTSA-N 386.412 -0.180 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NNC(=O)C2)C1 1779303304 AQOUUWSZGJGDJH-ZBQZNYHESA-N 392.456 -0.033 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1784501545 VEUJADSWFZMRKE-VGWMRTNUSA-N 393.488 -0.603 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C2 1792566387 WZIVAOVOAKAUES-ADZLIZSBSA-N 391.472 -0.924 30 20 GBED C=CCC(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1813060102 BCLMVBHZJXTUCA-XLIONFOSSA-N 390.484 -0.050 30 20 GBED C[C@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831208513 MMFPEQTUUABXMG-AUUYWEPGSA-N 377.441 -0.632 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncon3)C2)C1 1831396377 LBIOFJWSKGPSGG-DYVFJYSZSA-N 378.385 -0.822 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1 1831426921 MGVNLKVIYXRPQK-JEWRLFTDSA-N 382.457 -0.195 30 20 GBED Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cc1O 1833401476 PPOYOBYWCFNKDN-GOSISDBHSA-N 391.428 -0.255 30 20 GBED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834760935 MWQQCECERPGWOU-KSSFIOAISA-N 388.428 -0.353 30 20 GBED CN(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1834942784 QPOHDNXFCWQHDQ-SFHVURJKSA-N 375.429 -0.482 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839867499 KLMYKUWRRMKFGR-KDOFPFPSSA-N 397.497 -0.502 30 20 GBED COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)nn1 1840161905 FHQLLXWDABLPSS-SJCJKPOMSA-N 396.469 -0.127 30 20 GBED O=C(CN1C(=O)CNC1=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844313508 BUXXNLSXHRPWQX-FBCYGCLPSA-N 387.396 -0.546 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](O)COc2ccc(F)cc2)C1=O 299529379 QJEBOYFMVDFGRR-LBPRGKRZSA-N 379.344 -0.342 30 20 GBED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)CC/N=C(/O)N(C)C 330672875 XUSBOHAAEUTLAE-NSHDSACASA-N 388.494 -0.362 30 20 GBED CO[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2ccc(C#N)cn2)C1 349502296 GMTGTOWYPHWCEU-ZDUSSCGKSA-N 388.471 0.136 30 20 GBED Cn1cc(NS(=O)(=O)CCCS(=O)(=O)NCC(C)(C)C#N)ccc1=O 349551544 LEXOEVBJWGHLNX-UHFFFAOYSA-N 390.487 -0.014 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H](C)O)ncc1C#N 349607248 UMDAOEVDASJJCH-LLVKDONJSA-N 376.460 -0.306 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@H]3CCCN(C)C3)CC2)C1=O 369358984 ONAZEXZILFVPKQ-AWEZNQCLSA-N 377.445 -0.798 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H](N)[C@H]4C3)CC2)c1C#N 423450088 SHJOEQINAXLFDL-XIRDDKMYSA-N 399.499 -0.165 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[C@H]2CN3)C[C@]12C(=O)Nc1ccccc12 423723602 LTZPREJGKHIUQP-VGWCWKRBSA-N 379.420 -0.179 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C1CCC1 430976545 SFEQJTRRVNLFFJ-UHFFFAOYSA-N 387.465 -0.366 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)NCC(=O)N3CCOCC3)CC2)c1C#N 530355827 UEYOEYPZDMBTAH-UHFFFAOYSA-N 375.433 -0.709 30 20 GBED Cn1c(=O)nc(O)c2c(C(=O)NCCn3cnc(C#N)n3)cc(C3CC3)nc21 553540387 LUPLAOSNIJEZNW-UHFFFAOYSA-N 380.368 -0.195 30 20 GBED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)C(C)C 559867887 RLVFNOXOGRXMCW-CABCVRRESA-N 386.518 -0.309 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CC(O)(C(F)F)C2)c1 574465302 JIVLDPOCCMLDCU-VIFPVBQESA-N 395.409 -0.123 30 20 GBED COCC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 582736350 XTPWASKSEZMHBA-GFCCVEGCSA-N 391.471 -0.494 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 596838951 GXPBVPMVGOTRCU-QWHCGFSZSA-N 390.425 0.381 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(CCOC)C[C@@H](O)C(F)(F)F)C1=O 655197987 XDLTXROZOIGHMK-SECBINFHSA-N 381.307 -0.639 30 20 GBED CCN1CCN(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)C1=O 756889947 GYXLXZHRGCVTJS-STQMWFEESA-N 393.444 -0.448 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN2C(=O)CC[C@@H]2C1 766047260 HSTNEVAFBIDDJM-GFCCVEGCSA-N 376.438 -0.052 30 20 GBED COc1nc2sccn2c1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771889870 LKDZDFIUTIBSMQ-UHFFFAOYSA-N 398.426 -0.886 30 20 GBED N#C[C@H](C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)C(=O)N1CCS(=O)(=O)CC1 779209384 MWWOSZABXFMUFU-SNVBAGLBSA-N 395.349 -0.097 30 20 GBED C#CCN1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)CC1 779484183 KOEDQLZCWVTSHT-NVXWUHKLSA-N 379.482 -0.200 30 20 GBED CC#CCS(=O)(=O)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 810772748 CZSVNYXRFLVLBJ-UHFFFAOYSA-N 375.406 -0.472 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N=C1C[C@@H](C)ON1 824882568 BUAMWBFYJFDZST-BDAKNGLRSA-N 379.402 -0.228 30 20 GBED C#CCO[C@@H](C)C(=O)NCCC(=O)N1CCN(C(=O)[C@@H](C)OCC#C)CC1 827537322 HQQWGFLCLIRDAV-JKSUJKDBSA-N 377.441 -0.760 30 20 GBED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)C2CNC2)c1 841242704 JXQIGMXTKCNCEM-HMMYKYKNSA-N 393.469 -0.132 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@H](C)O1 846487886 YXNSYYXJYFYWER-JQWIXIFHSA-N 381.410 -0.486 30 20 GBED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N[C@H]2CCCN(O)C2=O)C1=O 848135330 BSQQABGDDBICCY-KPZWWZAWSA-N 390.396 -0.041 30 20 GBED CCOC(=O)CON=C(C(=O)NCc1nc([C@@H]2CCCO2)n[nH]1)c1cc[nH]n1 848276649 QSPIBTPPZYEBFS-NSHDSACASA-N 391.388 -0.021 30 20 GBED CS(C)(=O)=NS(=O)(=O)N1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 853667678 LGSRJBKQAFBXAJ-UHFFFAOYSA-N 388.431 -0.044 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 875601837 UAAWOQUYCCESLT-QGZVFWFLSA-N 392.500 -0.312 30 20 GBED C=CCn1cc(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)nn1 951519998 XACPAOGUYVNRSE-KNCOVGOOSA-N 375.429 -0.154 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1C 959633901 GRENUPAOZYJEOR-OEUWWYETSA-N 392.456 -0.127 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cn(C)nn1 960335863 VHUKJAJQOCSQNZ-SYAUCNOPSA-N 375.429 -0.152 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(O)nnc3O)[C@@H]2C1 974700146 CGLQDTLEGIAKAP-COMQUAJESA-N 391.428 -0.270 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 981448212 QQRRCWVYRHLODI-LOUJCGABSA-N 392.456 -0.080 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nn(CC)nc2C)C1 1024440372 PAXVNYIDEAIPOM-TUVASFSCSA-N 377.445 -0.111 30 20 GBED C#CCCN1CCC2(CC1)CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@@H]1COC[C@@H]12 1079260909 WDHVJNZUVIEUMP-VVLHAWIVSA-N 375.469 -0.018 30 20 GBED CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 1117248051 UXCQYOSABWCUNV-AAEUAGOBSA-N 380.426 -0.477 30 20 GBED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCS(=O)(=O)CC1 1117834623 IZRFXKKZTOYSGO-UHFFFAOYSA-N 392.481 -0.295 30 20 GBED N#CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)n2)O1 1130794072 LJZFNGMGMFILGU-GRYWWWGRSA-N 390.444 -0.194 30 20 GBED O=C(CN1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1)NC1CC1 1318480104 NCWATFPNSRDZHI-ZCXUNETKSA-N 375.429 -0.674 30 20 GBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CC#N)cc1 1318951860 UKBZSOFIAZRTTJ-CYBMUJFWSA-N 385.467 -0.324 30 20 GBED COc1ccc(C#N)cc1NC(=O)C(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 1320561397 JHGXAICLZZOUJA-GFCCVEGCSA-N 381.410 -0.487 30 20 GBED C=CCN(CCOC)C(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 1320708822 CTKWZBQMZGEMIL-UHFFFAOYSA-N 385.442 -0.508 30 20 GBED CCN(C)C[C@H]1CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1322696565 YIRWDJAENOMGPB-UWZWCOGJSA-N 377.445 -0.571 30 20 GBED CNS(=O)(=O)N1CCC(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 1322745132 WXAHIJJTTCFFCG-UHFFFAOYSA-N 392.485 -0.222 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 1323680531 LNIXJYXFGMMMEV-UHFFFAOYSA-N 391.432 -0.962 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2cccc(C(=O)NC)c2)CC1 1325558168 HYKJNRQLRWAVCQ-UHFFFAOYSA-N 384.436 -0.350 30 20 GBED COC[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)OC 1327106026 SSUVGJFCODFJEO-CVEARBPZSA-N 388.424 -0.053 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 1327480755 SNXUDOAMVCZRTE-CQSZACIVSA-N 396.469 -0.012 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CC[C@](O)(CC#N)C2)cc1 1328569627 WPYKWFFPNJZCSC-MRXNPFEDSA-N 380.426 -0.200 30 20 GBED CN(Cc1nncn1C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 1329219660 LNEZOZWRGYJIDB-UHFFFAOYSA-N 384.443 -0.562 30 20 GBED N#CC[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C1 1333324975 DTDWCFYDOCVSOH-CQSZACIVSA-N 388.428 -0.167 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1 1340073855 PAOZUBJPBXYLEE-INIZCTEOSA-N 387.440 -0.011 30 20 GBED C=C(C)Cn1c([C@H]2CNC(=O)C2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1346097257 BPPWOXHPJWWXJQ-CQSZACIVSA-N 387.488 -0.142 30 20 GBED C=CCN(C(=O)C(=O)NCCNS(=O)(=O)c1cccnc1)[C@@H](C)COC 1347605379 VVKXMFGWVADQKS-ZDUSSCGKSA-N 384.458 -0.474 30 20 GBED C#CCN1CCCC[C@@H]1c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC 1356502894 WPYNJSWNOZEJBB-HUUCEWRRSA-N 385.472 -0.395 30 20 GBED C=C[C@](C)(O)CC(=O)NCC[C@H]1CN(CCc2cnn[nH]2)CCS1(=O)=O 1575071776 BXNPTVFXWNLNTH-HOCLYGCPSA-N 385.490 -0.720 30 20 GBED C=CCOCC(=O)N1CC[C@@]2(CCN(C(=O)CC(=O)NCc3cnn[nH]3)C2)C1 1575109306 XKEORCIUTHYUOQ-GOSISDBHSA-N 390.444 -0.535 30 20 GBED CN(C[C@@H](O)CN(C)c1ccc(-c2nn[nH]n2)nn1)C(=O)c1ccc(C#N)[nH]1 1579024678 KWFNJHUEAHSWON-NSHDSACASA-N 382.388 -0.574 30 20 GBED C#CCNC(=O)C1CCN(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CC1 1588353582 XUQSIHBUYLZXMV-UHFFFAOYSA-N 381.440 -0.056 30 20 GBED C=CCn1c(Cn2cnc(-c3nn[nH]n3)n2)nnc1N1C[C@H]2[C@H](C1)C2(F)F 1588709491 SWNXFDTUFMIDPU-IUCAKERBSA-N 375.347 -0.015 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)NCC#CCN(C)C 1589974832 DIEDGABRYLXMFK-LBPRGKRZSA-N 391.457 -0.785 30 20 GBED CC1(C)CN(CC(=O)NCC#N)CC[C@@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1590104429 FQPGITSANAJZGK-ZDUSSCGKSA-N 385.432 -0.335 30 20 GBED O=C(CC#Cc1ccccc1)N(CCO)CCN=c1cc[nH]c(-c2nn[nH]n2)n1 1592804424 ZCNVEWLRLOHPOT-UHFFFAOYSA-N 392.423 -0.247 30 20 GBED C#CCOCCN(C)CC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 1602729415 QXFOMMUYSBNKSF-UHFFFAOYSA-N 388.432 -0.607 30 20 GBED C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1602792435 GAODQNAUSMDMKA-INIZCTEOSA-N 377.405 -0.927 30 20 GBED C=CCn1cc(C(=O)N(C)C[C@H](O)CNc2ccc(-c3nn[nH]n3)nc2)nn1 1602882711 RZFBCGPCWNENNA-GFCCVEGCSA-N 384.404 -0.416 30 20 GBED COCCN(C(=O)Cn1cc(C(=O)O)cc(C#N)c1=O)[C@H]1CCS(=O)(=O)C1 1606877428 KMWKGPPOTMOWAZ-ZDUSSCGKSA-N 397.409 -0.920 30 20 GBED CN(CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)CC(=O)O 1610117634 VGFRQWRHQSCXCJ-UHFFFAOYSA-N 382.442 -0.362 30 20 GBED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3ncon3)C2)C1 1779870165 NJEJVLAKKSPBIX-AEUYPJEVSA-N 376.417 -0.015 30 20 GBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1781693398 LYMQRNMALVGHRZ-GPMSIDNRSA-N 394.424 -0.372 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1783562299 LHZSSIOEFHPYHW-INIZCTEOSA-N 380.788 -0.546 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3nc(C)no3)C[C@@H]21 1784480220 RSINBAFNGPUTII-OEAJRASXSA-N 390.440 -0.061 30 20 GBED C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)C2 1793579048 FJZGZFRPBXYBDN-RKQHYHRCSA-N 378.429 -0.186 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1794008982 JPUDKSHOPAVNHP-FQUUOJAGSA-N 378.429 -0.233 30 20 GBED NC(=O)CC[C@H](N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/N1CCCCC1)C2 1795976167 VGECBRQNXNMZDW-BFKJHHBMSA-N 392.504 -0.311 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2ncnn2c1 1797558290 AYEZNJQKWRXZIB-SCNOPHJPSA-N 397.435 -0.029 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[S@](=O)CC 1797604677 ZIFRAMIVEHTWKR-AFPKTMCRSA-N 384.498 -0.227 30 20 GBED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CNC1=O)CC2 1826013026 KTJSWAMLWGPPBT-YUMQZZPRSA-N 397.482 -0.075 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(C)C(=O)c1ccccc1)CCO2 1831150314 MACSAVXCFZBVOU-NRFANRHFSA-N 399.447 -0.152 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1831466231 OQGNYMQTHIQGJJ-YOEHRIQHSA-N 388.486 -0.300 30 20 GBED CC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1834716058 KDRLAWZITWUKGW-FQEVSTJZSA-N 392.452 -0.270 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338595 MYYGEXXLPUOFNU-BEFAXECRSA-N 375.425 -0.215 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1835364516 WRMNTJQVALHJAO-MRXNPFEDSA-N 385.442 -0.436 30 20 GBED CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1837245781 DJJUNUCNMFLGII-MLTMRYFHSA-N 392.543 -0.080 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncon3)CCO2)C1 1838316887 LBOHIXDYQSYGIU-FZKQIMNGSA-N 394.428 -0.287 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838642725 IPBCQHKEGJFPHX-MEDUHNTESA-N 382.442 -0.842 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1839806472 PVFJVURDSKSMAR-YLJYHZDGSA-N 386.404 -0.084 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1840170522 LNJOZLSTGRPVAN-LJQANCHMSA-N 389.456 -0.072 30 20 GBED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847443795 XKDZSIQKJSVWON-AVGNSLFASA-N 383.445 -0.032 30 20 GBED C#CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12 45906268 HAPIZDYJSUSVSE-UHFFFAOYSA-N 375.406 -0.088 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@@H]2[C@@H]2CCCCC2=O)C1=O 269935946 YOKYRHOJCZBKMJ-QWHCGFSZSA-N 377.397 -0.050 30 20 GBED CN1CCN(C(=O)CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 271663739 YMMTZEWASFRSAZ-UHFFFAOYSA-N 389.460 -0.271 30 20 GBED C#CCN(C)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 276945508 KLGWRHKPPLBONO-UHFFFAOYSA-N 380.426 -0.007 30 20 GBED COCCCn1nccc1/C=c1\s/c(=C(\C#N)C(=O)NC(C)C)n(C)c1=O 283125937 XHBIMVCOEDCPLP-XYAOMVCZSA-N 389.481 -0.293 30 20 GBED CC(C)CN1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1=O 298163083 SMAFVVFAQKYKNB-UHFFFAOYSA-N 398.467 -0.071 30 20 GBED N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)n1 332317622 VGGAWAVCOMQWQS-UHFFFAOYSA-N 396.379 -0.039 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](N2CCCC2=O)C1 349463295 MDYKMTKWCVRVIB-CYBMUJFWSA-N 392.503 -0.812 30 20 GBED CN(CC(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)Nc1cn(C)nn1 349486998 BKPZZQMHIAEJER-UHFFFAOYSA-N 378.480 -0.242 30 20 GBED CN(C1(C#N)CCC1)S(=O)(=O)CCCCS(=O)(=O)N1CC[C@@H](O)C1 349595114 XBAZWRKBSXXBRU-CYBMUJFWSA-N 379.504 -0.129 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 367141881 WJVUZIOWFRTLSE-CYBMUJFWSA-N 382.508 -0.505 30 20 GBED CCN1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@@H](C)C1=O 410713382 INCRAJFIJVLECW-AWEZNQCLSA-N 384.440 -0.319 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(C(=O)C(C)(C)C)CC2)C1=O 410884251 QXVSRVQENHPGBZ-AWEZNQCLSA-N 378.473 -0.051 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1CCNS(=O)(=O)c1cnn(C)c1 464856840 JVACQUCZVXITMF-CYBMUJFWSA-N 390.473 -0.429 30 20 GBED COC(=O)CN(CC#N)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1 471151437 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N#CCc1cccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 619476927 FOVFOIFENIBESP-UHFFFAOYSA-N 376.438 -0.136 30 20 GBED CS(=O)(=O)N1CCN(CCNC(=O)Cc2ccc(OCC#N)cc2)CC1 732060881 ANASIHNHEDEYHO-UHFFFAOYSA-N 380.470 -0.175 30 20 GBED COCCN(CCC(=O)O)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 737793610 AEYKRRIRCWJPCW-UHFFFAOYSA-N 379.417 -0.074 30 20 GBED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 756751512 WQZRTEZDWOONNA-MEBBXXQBSA-N 383.430 -0.561 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)CC1 756825524 YMXUPMUTVOGNFG-NRFANRHFSA-N 398.463 -0.713 30 20 GBED C#CCN1CCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 760431234 VTHKYNGTPPNTHN-UHFFFAOYSA-N 392.481 -0.556 30 20 GBED C#C[C@@H](NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21)[C@H]1CCCO1 775327993 WSEKBNBGDPFCMC-DGCLKSJQSA-N 379.394 -0.461 30 20 GBED COC(=O)c1c(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)n[nH]c1C 780748459 BLDAKDJAXIEZLS-UHFFFAOYSA-N 395.401 -0.263 30 20 GBED COC(=O)C[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 796936380 SCAYUTJDAIWMGC-ZWNOBZJWSA-N 398.393 -0.127 30 20 GBED CCOC(=O)CON=C(C(=O)NCc1nnn(C(C)(C)C)n1)c1cc[nH]n1 848295564 KOXCYAHVHZKDBF-UHFFFAOYSA-N 378.393 -0.249 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](O)[C@H](C)C1 848955968 HYXHIYXMTSLPLJ-ZIAGYGMSSA-N 397.478 -0.165 30 20 GBED C=CCCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)nn1 970671843 UXLPAZZCQOFCNV-COMQUAJESA-N 390.444 -0.943 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COC2CCN(C)CC2)C[C@@H]1O 970702274 OZUCXJXTTVYPNG-NCOADZHNSA-N 381.473 -0.624 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(=O)n(CCOC)c2)CC1 1116957348 YORJOIPHOWILBF-UHFFFAOYSA-N 388.424 -0.579 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3OCCO[C@H]3C)[C@@H]2C1 1188231742 ZJMUPYCTGVHGJW-AYDFFVQHSA-N 380.445 -0.665 30 20 GBED C=C(C)CN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1194872240 ALFMACLIERBDNY-DOEOUOAPSA-N 395.500 -0.376 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O 1261450151 SXGYEDGHIBNVBQ-HNNXBMFYSA-N 386.408 -0.203 30 20 GBED O=C(NCCCN1CCCCC1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1323389719 WVXWJOSPQPTEAY-FOCLMDBBSA-N 377.445 -0.379 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@@H]1CCN(C)[C@H](C)C1 1324563139 NPEXTTOPXFZESC-QLFBSQMISA-N 385.472 -0.016 30 20 GBED C[C@H](O)CN(C(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1)[C@H](C)CO 1325083262 LOWRNYWROLISLC-KGLIPLIRSA-N 392.431 -0.064 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCO[C@@H](C(F)F)C3)CC2)c1C#N 1329718339 GDSZWVURPUVXLO-CYBMUJFWSA-N 396.398 -0.259 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC2(CC1)[C@H](O)C[C@H]2OCC 1329802985 VCXQIWBUWAYEID-ZIAGYGMSSA-N 388.486 -0.518 30 20 GBED C=CCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1[C@]1(O)CCOC1 1340624435 QTWRIBUVBCQQMY-KXBFYZLASA-N 390.488 -0.185 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCC(=O)N(C)C 1359467428 RXGJHIFSMGBHSJ-RYUDHWBXSA-N 385.494 -0.038 30 20 GBED CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1552393930 MFXQLBZHOUBLKL-CYBMUJFWSA-N 395.489 -0.092 30 20 GBED C#Cc1ccc(C(=O)N(C)C[C@@H](O)CN=c2cc(C)[nH]cc2-c2nn[nH]n2)cn1 1573287503 CPDVSUABQAWXQY-HNNXBMFYSA-N 392.423 -0.087 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O 1573287603 OAPIMTLTGBPFFZ-CYZMBNFOSA-N 376.442 -0.372 30 20 GBED C=CCn1cccc1C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573350276 BYRBSSYWZWDRNV-LBPRGKRZSA-N 384.400 -0.297 30 20 GBED C#CCOCCC(=O)N1CCO[C@@H]([C@@H](C)N=c2cc[nH]cc2-c2nn[nH]n2)C1 1588359451 OOMFTTFHAVDIAW-CZUORRHYSA-N 385.428 -0.249 30 20 GBED C#CC[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C(=O)O 1588407992 UHZRBSDEFYPXNO-GFCCVEGCSA-N 386.451 -0.096 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC(=O)N(C)C[C@@H]2C(=O)O)c1 1588845493 RIIFTAXOZWHCLT-CYBMUJFWSA-N 381.410 -0.482 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@@H](n3cc(C(=O)O)nn3)C2)CC1 1590949151 NGIDPPNHOOLJQE-GDBMZVCRSA-N 389.460 -0.085 30 20 GBED CC[C@@H](CNS(C)(=O)=O)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1604037850 OEZJCMSALXYPHD-KBPBESRZSA-N 391.457 -0.007 30 20 GBED N#C[C@@]12CN(CC(=O)Nc3sccc3-c3nn[nH]n3)C[C@H]1CS(=O)(=O)C2 1606354661 ODPJKYGYUSPZFD-XPTSAGLGSA-N 393.454 -0.263 30 20 GBED C=CCN(CC=C)S(=O)(=O)N1CCC2(CC1)NC(=O)N(CC(=O)O)C2=O 1776177402 SDKKLAXUKLVVEM-UHFFFAOYSA-N 386.430 -0.624 30 20 GBED CC(=O)N(CC(=O)O)C[C@@H]1CN(S(=O)(=O)c2cccc(C#N)n2)CCO1 1776202695 SNRSDGYPIXNDGU-CYBMUJFWSA-N 382.398 -0.724 30 20 GBED C[C@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779140232 VPAKCLWTOLDTHL-LPMWRXPISA-N 376.413 -0.337 30 20 GBED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](O)NC(=O)OCC)[C@H]3C2)C1 1788469597 ORGLSZJUVCVVAT-QEWYBTABSA-N 395.456 -0.003 30 20 GBED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CNC(=O)O4)C[C@@H]32)CCC1 1792139148 RFPGTFPAVYTGBP-XUXIUFHCSA-N 376.413 -0.232 30 20 GBED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=N)N)cc1 1795535233 FWOMWHIBVRCCAI-HGKCTWBKSA-N 398.467 -0.436 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)n[nH]1 1795688771 YIRFECCAFWLUIY-SVECEJSWSA-N 389.412 -0.823 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1ccnn1)C2 1797712744 VITSNDPGMXRIHL-JYYAWHABSA-N 391.472 -0.169 30 20 GBED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(CCO)CCO 1800581521 DYMSSLHGRUBSHG-CUSZFKRNSA-N 383.489 -0.925 30 20 GBED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OCC)C2 1800995507 MLVIDRVJZBCCQR-XRGAULLZSA-N 381.429 -0.556 30 20 GBED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN(CCO)CCO)CCC1 1801736095 FBHUDPZATOSDEN-MUJYYYPQSA-N 378.473 -0.395 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccon3)C2)C1 1831391468 OYPLGMIKCXWBCI-KBXCAEBGSA-N 377.397 -0.217 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(OC)OC)C2)C1 1831418969 IVQRJJJEIYXNRY-KDOFPFPSSA-N 386.445 -0.347 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2 1831478498 AKMMHZLOIVSOQF-IBGZPJMESA-N 379.457 -0.229 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1ccco1)CCO2 1833078456 WFQYNZLJCQDQOX-RTLBZRNLSA-N 388.376 -0.163 30 20 GBED CCOCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1834986232 PPNVRHPOHXLKCF-GOSISDBHSA-N 376.413 -0.007 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1840479875 JHLNKINWHIXZAD-XUJVJEKNSA-N 384.462 -0.991 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1840843294 HBNMUKRJPMEKKQ-LJQANCHMSA-N 390.440 -0.088 30 20 GBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cnc3c(c2)CCNCC3)C1 1845797920 KPOBQLZWUZXVGW-UHFFFAOYSA-N 382.420 -0.325 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846034358 JBQPNENVGPDSBW-OAHLLOKOSA-N 384.477 -0.723 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCCS1(=O)=O 1847261526 JGEALHXNYHYPDI-CYSUXKILSA-N 395.481 -0.376 30 20 GBED CN(CC(=O)NCCCNS(C)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 31239908 VVVDZNXRUKNBDF-UHFFFAOYSA-N 388.471 -0.766 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)c1=O 145032658 JDVGNDAGZRNRIG-UHFFFAOYSA-N 385.336 -0.021 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C(=O)O)[C@H](C(F)(F)F)C2)C1=O 262138667 GZACHRFWCZKKTE-HTQZYQBOSA-N 377.275 -0.315 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)C1=O 265871325 ZJCWUELJXWOQIY-GFCCVEGCSA-N 398.375 -0.193 30 20 GBED CCCCn1c(=O)/c(=C\c2cnn(C)c2)s/c1=C(/C#N)C(=O)NCCOC 297502227 ADDLOCDQJSITOR-IATADAHLSA-N 389.481 -0.291 30 20 GBED C[C@H](O)CN1CCN(C(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CC1 298185674 VUFDBPQFGRXUFC-INIZCTEOSA-N 385.468 -0.268 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(/C(O)=N/C1CCN(C3CC3)CC1)C2 329858013 ZTONMFVHUDVLIP-UHFFFAOYSA-N 391.476 -0.511 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)[C@H](C)C1=O 349473475 IFZXXOZSQWLLJS-GFCCVEGCSA-N 392.503 -0.766 30 20 GBED CN(C1CC(O)C1)S(=O)(=O)CCCS(=O)(=O)Nc1cccc(C#N)n1 349498429 ORLZFILLCRXNHF-UHFFFAOYSA-N 388.471 -0.130 30 20 GBED CCn1ncc(C#N)c1NS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](O)C1 349517193 AAGHNANIIYIRAE-LBPRGKRZSA-N 391.475 -0.697 30 20 GBED Cn1c(N2CCc3c(cccc3NS(C)(=O)=O)C2)c(C#N)c(=O)n(C)c1=O 368773579 UMMDLKZPNDYLSG-UHFFFAOYSA-N 389.437 -0.110 30 20 GBED C[C@@H]1CC(=O)C[C@H](C(=O)N2CCO[C@H](C#N)C2)[C@@H]1C(=O)N1CCO[C@H](C#N)C1 468309354 CDFDDMRHSGWHAD-FYNNLBNCSA-N 388.424 -0.280 30 20 GBED CC[C@H](C)[C@@H](NC(=O)c1cnn(C)c1C#N)C(=O)NCCN1CCOCC1 475921757 RVXZKKREWWNXRX-XJKSGUPXSA-N 376.461 -0.115 30 20 GBED C[C@@H](C(=O)N1C[C@@H](O)[C@H](N(C)CC(=O)OC(C)(C)C)C1)n1cnc(C#N)n1 487664811 BGZNJYOJGDNTLV-YNEHKIRRSA-N 378.433 -0.444 30 20 GBED COCCCNC(=O)[C@H](C)N1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 507728189 WQOGFBYPTKLEGJ-HNAYVOBHSA-N 379.505 -0.046 30 20 GBED COCCN(CCOC)C1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 511358533 FZQQGGOHWLGSBZ-MRXNPFEDSA-N 390.506 -0.485 30 20 GBED N#Cc1ccccc1OC[C@H](O)CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 528417694 QUMKZRWFFUVUPK-BRWVUGGUSA-N 395.481 -0.615 30 20 GBED CCN1CCN(C(=O)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 551941704 LRTGHLNEFZNRBX-UHFFFAOYSA-N 393.469 -0.883 30 20 GBED C=CCNC(=O)NC(=O)CS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 558878859 ZBTBKLZLHVQYOH-UHFFFAOYSA-N 389.455 -0.278 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)CC1=O 577125181 NLPPDVIFFRMAPC-UHFFFAOYSA-N 380.492 -0.908 30 20 GBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 593595215 DISZXYYUMNOBMT-NEPJUHHUSA-N 392.437 0.000 30 20 GBED N#Cc1c(NCCS(=O)(=O)N2CCSCC2)cccc1S(N)(=O)=O 754992650 GKGLRDMKTLVDEB-UHFFFAOYSA-N 390.512 -0.004 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCCCS1(=O)=O 784117482 GHKWYQACYCKSFX-LLVKDONJSA-N 385.467 -0.191 30 20 GBED C[C@H](C(=O)OCC(=O)NC1(C#N)CCC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 784230727 QJZVRGZFWIVFSG-JIFFNSBPSA-N 375.381 -0.357 30 20 GBED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(C)cnn2C)c1=O 795187285 OHSFEHXLDSIJLH-UHFFFAOYSA-N 387.465 -0.620 30 20 GBED CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 806780451 ALEQQCMCCNLJHS-DKASORFFSA-N 399.473 -0.374 30 20 GBED CN(C)c1cc(C#N)cc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 814574255 QSOMVLMLBOBDBE-UHFFFAOYSA-N 385.380 -0.356 30 20 GBED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nn[nH]n3)o2)c(=O)n1C 820134059 WKTWQDLYEHKHMF-UHFFFAOYSA-N 385.409 -0.752 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)CC1 831568762 RCRLQMLXZSUOER-FVCCEPFGSA-N 395.403 -0.046 30 20 GBED N#C[C@@H]1CNC[C@@H]1NC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 843460561 HUHMTTSLLALVID-RISCZKNCSA-N 384.483 -0.326 30 20 GBED C=CCn1cc(C(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)nn1 854834679 OLJZGNVZEDNKEC-UHFFFAOYSA-N 376.464 -0.806 30 20 GBED CS(=O)(=O)N=S1(=O)CCN(S(=O)(=O)c2ccccc2C#N)CC1 859164358 LDIZRIDQKWWUGH-UHFFFAOYSA-N 377.469 -0.010 30 20 GBED COC(=O)C[C@H](O)CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 863016014 JBPVLVVICRZANU-QWRGUYRKSA-N 383.426 -0.456 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 872515199 IJIKKCCCPXOUHE-UHFFFAOYSA-N 379.410 -0.261 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2ccc(C)cc2=O)C1 963213120 DHUOZZXUQFZRJG-RCJHGTSTSA-N 389.452 -0.174 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2cc(C3CC3)nn2)C1 966327417 LWEHTGJFKHQRII-OJLVUWQFSA-N 375.429 -0.566 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2nc[nH]n2)C1 990920747 IPLZAAFYNTYCTL-CRWXNKLISA-N 386.416 -0.441 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)C1 1019457119 GIQYJNKPPVUDGW-CBBWQLFWSA-N 377.441 -0.329 30 20 GBED CCc1nc(C#N)cc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2ncn(C)c2=O)n1 1055410782 VEDNKJOYARKQMZ-MCIONIFRSA-N 382.428 -0.268 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1057576725 ORWDESXCVJEFOR-NCOADZHNSA-N 381.473 -0.038 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCC(=O)NC1 1110751061 LQZSAPYURLMBIT-FPCVCCKLSA-N 375.473 -0.004 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1)[C@H]1CCCO1 1117544893 RDCPHBBITBEAHZ-KCQAQPDRSA-N 389.412 -0.475 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CNS(=O)(=O)c2ccccc2)CC1 1261497251 RWHPCZNMSUYGHU-UHFFFAOYSA-N 392.481 -0.751 30 20 GBED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCCS1(=O)=O 1301966202 SGQBKTWGIOJAAY-OLZOCXBDSA-N 395.489 -0.139 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC(NS(C)(=O)=O)CC2)n1 1320030925 BSAWHKSNGFWJJM-UHFFFAOYSA-N 396.473 -0.012 30 20 GBED COCCN(CCC#N)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1324356686 GYMOFFLQMBIZPW-UHFFFAOYSA-N 392.416 -0.931 30 20 GBED CCOC(=O)CON=C(C(=O)NCC(C)(C)N1CCN(C)CC1)c1cc[nH]n1 1326506945 YGZOXPQODJOPCM-UHFFFAOYSA-N 394.476 -0.164 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCOC[C@H]1C1CCC1 1329330621 FZXWDCFOGDWNIY-PVEMMZBWSA-N 376.413 -0.344 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 1333171848 YZQBVQRQJXKKOM-HNNXBMFYSA-N 399.513 -0.052 30 20 GBED N#CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)N3CCOCC3)CC2)C1 1346888554 HLYFODORXQQMGS-OAHLLOKOSA-N 377.445 -0.265 30 20 GBED Cn1[nH]c(CN2CCC(N(Cc3cnn[nH]3)C(=O)C#CC3CC3)CC2)nc1=O 1577683308 KRILCOIWBWBFGB-UHFFFAOYSA-N 384.444 -0.367 30 20 GBED C#CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNCc1ccc(-c2nn[nH]n2)c(F)c1 1588356824 GLWAJWBJMLLZHA-OCCSQVGLSA-N 390.419 -0.047 30 20 GBED C#CCN(CC(=O)O)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1588410507 WJHFMJBDQDSQET-BGMSHATGSA-N 386.426 -0.385 30 20 GBED Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 1600230592 RTPZPANVARRLTQ-NSHDSACASA-N 376.387 -0.122 30 20 GBED C#CC1(F)CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)C1 1602691350 WFMDVJOOHQFOMQ-SNVBAGLBSA-N 378.389 -0.283 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 1602883685 FVCZNPDAIXNDCK-XQQFMLRXSA-N 388.432 -0.497 30 20 GBED CS(=O)(=O)[C@H]1C[C@]1(CNS(=O)(=O)c1ccc(F)cc1C#N)C(=O)O 1607376843 GTFGMFSJRIYNFG-WCQYABFASA-N 376.387 -0.136 30 20 GBED Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N1CCOCC1 1618449073 ZATIJPHYMKODEP-AWEZNQCLSA-N 385.428 -0.129 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)COCCO)CCO2)C1 1781269784 NDKWXFVVSNVWNI-SFHVURJKSA-N 384.429 -0.665 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOC1=O)C2 1782009768 ZGSJKBOPZLDDMU-FZKQIMNGSA-N 393.396 -0.960 30 20 GBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(N3CCOCC3)n1)CCO2 1783050099 GOKOSFPPSYHJHN-HXUWFJFHSA-N 384.436 -0.005 30 20 GBED COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(O)c1 1783565695 OZEWESOGRCUJEB-IBGZPJMESA-N 388.376 -0.068 30 20 GBED CNC(=S)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783683217 VAZUVEQWDMCDBW-IHRRRGAJSA-N 395.529 0.000 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1 1784575090 KXMBNZYUFPPUFN-QTVXIADOSA-N 379.413 -0.887 30 20 GBED CCNC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1788562915 ZCSIETMAAURHMT-QPSCCSFWSA-N 379.461 -0.023 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cnnn4)C[C@@H]32)c1 1789344198 YDMGNQBAIJAXKC-YDHLFZDLSA-N 384.400 -0.834 30 20 GBED Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)no1 1791077776 JNFBGGYZGLIVIK-QEJZJMRPSA-N 375.381 -0.407 30 20 GBED C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)N1CCOCC1)C2 1793583696 KCQCAFJKPSJACI-FDQIELQPSA-N 381.473 -0.134 30 20 GBED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1)N1CCN(C)CC1 1795411411 NINIBRXCLUEIIB-NXOAAHMSSA-N 389.500 -0.484 30 20 GBED COC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797742792 BSHDXMGDYVOGLN-HJOICYHTSA-N 395.460 -0.596 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1800451433 YTCLPOCDNMPOKM-OVZMXSCWSA-N 386.408 -0.785 30 20 GBED CN(CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC#N)n[nH]1)C(=O)C(=O)O 1816746683 JNPJCYITEROLGQ-LLVKDONJSA-N 376.373 -0.142 30 20 GBED C=CCC(=O)N[C@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825331184 HCSXPYQYVHFLIA-LBPRGKRZSA-N 382.486 -0.082 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1834760657 GMTXCXZECLRVBW-SFHVURJKSA-N 384.396 -0.287 30 20 GBED COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342778 PMOOXGKPCIDYLY-SFHVURJKSA-N 381.429 -0.590 30 20 GBED C#CC(=O)N1CCC(N2CCC(NC(=O)CCNC(=S)NC)CC2)CC1 1835741705 LFDVDFJWUDGYAO-UHFFFAOYSA-N 379.530 -0.325 30 20 GBED Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839713519 QKANLQNNWQMAIT-IBGZPJMESA-N 387.440 -0.048 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1839810138 FTHNBQHNFFRYLC-OAQYLSRUSA-N 398.463 -0.527 30 20 GBED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1)C(F)(F)F 1839892466 OSDKZDWNJKLYSM-AWEZNQCLSA-N 389.334 -0.007 30 20 GBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCN(C(=O)C(=O)NC3CC3)CC1)CC2 270166679 JIKDRBABFIVCEG-UHFFFAOYSA-N 395.419 -0.603 30 20 GBED N#Cc1ccccc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 275550250 NKCVNKHQYNXPCC-KGLIPLIRSA-N 385.467 -0.666 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)OC)c1 275683878 XCRNXOKUKASMSK-CABCVRRESA-N 380.422 -0.263 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)CC1 286816859 VZEHKLNCDDQIQY-UHFFFAOYSA-N 393.517 -0.074 30 20 GBED CC(C)NS(=O)(=O)N1CCN(CC(=O)N/C(O)=N/CC(F)(F)F)CC1 331330466 OKQKXZGWAWGSMO-UHFFFAOYSA-N 389.400 -0.561 30 20 GBED CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]1CO 349514054 CXDIDBJTWYSAEU-JSGCOSHPSA-N 379.504 -0.225 30 20 GBED C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 363105255 UXFJYHKKZRVDEP-XKQJLSEDSA-N 393.465 -0.060 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@H]5O)n2)cc1 374488214 LLTGMYZKSHNAFJ-KSWRQPAISA-N 392.419 0.364 30 20 GBED C=CCOC[C@H](NC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)OC 435937115 QOPURRAUFLATSD-LEZGYBIHSA-N 380.397 -0.602 30 20 GBED CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN1CCO[C@@H](C#N)C1 440699747 CXXJXKRZWMUWSO-ZDUSSCGKSA-N 387.483 -0.065 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CCC[C@H](n3cccn3)C2)CC1 459889116 UYSITVYTFSWMNA-INIZCTEOSA-N 388.472 -0.507 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@]2(C#N)CCOC2)c1 478648635 WAFNXXNPSZWCGX-MRXNPFEDSA-N 382.442 -0.322 30 20 GBED COCC(COC)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 514951545 SIIHKMXKKDQJRF-UHFFFAOYSA-N 377.444 -0.572 30 20 GBED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCC#CCO)c1OC 515669405 YWWBBFYLLZTDPY-UHFFFAOYSA-N 398.437 -0.550 30 20 GBED N#Cc1cccc(NC(=O)CCN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 532707934 FXKJWGKERUMVCE-DLBZAZTESA-N 392.481 -0.026 30 20 GBED C=CCOC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)O 576276889 DKOQFMPWIVLYMU-LLVKDONJSA-N 392.455 -0.129 30 20 GBED COCC[C@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 579771969 ZBGARSALOUTKBC-QGZVFWFLSA-N 394.453 -0.144 30 20 GBED CN(C)c1cc(C#N)cc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1 590107555 OBNWURUYNAOHCL-UHFFFAOYSA-N 379.486 -0.069 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@@H](C)[C@H](CO)C3)CC2)c1C#N 598682343 CMHQBAYKXLGPOK-HIFRSBDPSA-N 388.472 -0.274 30 20 GBED CC[C@@H](CCNS(=O)(=O)N(C)CCC#N)NS(=O)(=O)N(C)CCC#N 603631741 RZCHLBSSQWVYRE-ZDUSSCGKSA-N 394.523 -0.485 30 20 GBED N#Cc1cccnc1NCCOC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 732503287 XJDHLMSUZCMFFW-ZIAGYGMSSA-N 392.437 -0.056 30 20 GBED C#CCN1CCN(C(=O)CN2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)CC1 746499988 RGSBFPKYQQHAAO-IBGZPJMESA-N 389.544 -0.218 30 20 GBED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 803864485 UQFORWJYPLDMFZ-HNNXBMFYSA-N 382.398 -0.793 30 20 GBED C#C[C@@H](NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[C@H]1CCCO1 812982691 YCAJELOBJAUOGJ-IAGOWNOFSA-N 384.436 -0.146 30 20 GBED C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1-c1nn[nH]n1 823846101 YUTCQSHOSVKBHI-NSHDSACASA-N 399.429 -0.183 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCS(=O)(=O)C[C@@H]1C1CC1)c1cc[nH]n1 854812026 XYUGIDJIWRRAPQ-CYBMUJFWSA-N 398.441 -0.271 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2c(C)nnn2CC)C1 965825422 UWRRSIJKKJNJNR-FQLMCAECSA-N 377.445 -0.111 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C[C@@H]2O)cn1 969352868 CCFZLSGFMUMJGT-MLHJIOFPSA-N 379.420 -0.098 30 20 GBED N#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cn(CC(N)=O)nn2)[nH]1 996103827 KUAXIRMLJCUGLI-OSMZGAPFSA-N 382.384 -0.861 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CCC1=O 996325148 XKNZGVVAWYXUQJ-MRLBHPIUSA-N 375.425 -0.025 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@@H]2CC(=O)NC(=O)N2)cn1 996439325 YYNFVNBSIJGUAQ-QPSCCSFWSA-N 381.392 -0.477 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1nc(C)n(C)c1=O 1005094483 CTNHAKIENFEWGZ-SUJAAXHWSA-N 389.456 -0.271 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@H]1O 1023960195 DANLTQCPEXULFU-TUVASFSCSA-N 386.412 -0.593 30 20 GBED Cn1cncc1[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1Nc1nccnc1C#N 1052750603 VOBTVBYYZVFISR-GFQSEFKGSA-N 380.412 -0.390 30 20 GBED CC#CCN1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094660910 UWCPLMYMDNDEQD-TXCZRRACSA-N 376.482 -0.143 30 20 GBED C=CCN1CC[C@@H](N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2C(=O)CNC2=O)C1=O 1098343567 HRXYKDPAEQZYLP-YIYPIFLZSA-N 375.429 -0.953 30 20 GBED COCCn1cc(NC(=O)C(=O)NCCNc2ncccc2C#N)ccc1=O 1115906736 DNQKMGWHAWNJDZ-UHFFFAOYSA-N 384.396 -0.072 30 20 GBED C#CCN1CCCC[C@H]1c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC=C 1121634920 YZFJMVUMVFXYQG-CVEARBPZSA-N 397.483 -0.229 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC(C)C)C[C@@H]1n1ccnn1 1129267190 XRQVKSLFRBQPEX-NCOADZHNSA-N 390.488 -0.017 30 20 GBED CC(C)[C@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)N1CCOCC1 1223056556 XZZFPQXXSPILIW-AWEZNQCLSA-N 378.433 -0.523 30 20 GBED COC(=O)c1cccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 1319311869 WCIBRQSUPNWSHL-UHFFFAOYSA-N 380.382 -0.817 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H]3COC(C)(C)O3)CC2)c1C#N 1323243577 DRQBYMTZPOTCGQ-ZDUSSCGKSA-N 390.444 -0.484 30 20 GBED C=CCn1cc(C(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)nn1 1326343884 RNFIRORCOMCQMR-HNNXBMFYSA-N 397.501 -0.184 30 20 GBED C=CCn1cc(C(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)nn1 1326343886 RNFIRORCOMCQMR-OAHLLOKOSA-N 397.501 -0.184 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC(O[C@@H]3CCOC3)CC2)CCN1C1CC1 1332012681 LTTSTNSLBUXCFH-NVXWUHKLSA-N 376.457 -0.018 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCC2(C(=O)NCC)CCC2)CC1 1343327744 NZTLLMFPSHDDCT-UHFFFAOYSA-N 376.457 -0.603 30 20 GBED CN(C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(=O)c1cc(C#N)c[nH]1 1579028293 MHCNBLJBKISCAN-NSHDSACASA-N 382.388 -0.574 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@H](N=c1cc[nH]c(-c2nn[nH]n2)n1)C1CC1 1588351175 HWIPGGBELCVHFI-KBPBESRZSA-N 381.444 -0.517 30 20 GBED C#CCNC(=O)CC(=O)N1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1588354173 HDQKPCQFUOVATP-UHFFFAOYSA-N 384.400 -0.991 30 20 GBED C#CCOc1ncccc1C(=O)NCCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588363227 SNIYEJCYDSGPIT-UHFFFAOYSA-N 380.368 -0.238 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccnc(-c3nn[nH]n3)c2)cc1 1592696587 MMCJZEZEHHBUDF-UHFFFAOYSA-N 398.408 -0.272 30 20 GBED C=CCn1cc(C(=O)N2C[C@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)C[C@H]2C)nn1 1602882333 IKUVBBJEJIRRSQ-GHMZBOCLSA-N 381.404 -0.429 30 20 GBED N#Cc1ccc(N2CCC(O)(CNc3ccc(-c4nn[nH]n4)nn3)CC2)nn1 1606369390 YHSXBGWGOKANKZ-UHFFFAOYSA-N 379.388 -0.238 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cnn(CC(=O)O)c2C)CC1 1609158749 GMLLAZQWRDDHID-UHFFFAOYSA-N 375.385 -0.797 30 20 GBED Cc1nn(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(=O)c(C#N)c1C 1656180350 XBUZXLVRAKVNHM-AWEZNQCLSA-N 393.469 -0.937 30 20 GBED CC1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)CC1 1783557305 DXZNGCDQAXTUCF-LJQANCHMSA-N 377.441 -0.364 30 20 GBED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783568147 OGSMOMAGIJAJNC-KSSFIOAISA-N 379.413 -0.791 30 20 GBED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786892468 DLZPMQMHYMJRDS-CWVYHPPDSA-N 380.489 -0.229 30 20 GBED Cc1cn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)c(=O)nc1O 1792131587 JLVMRWDEOPHIPF-IHRRRGAJSA-N 389.412 -0.849 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)N(C)C 1792698226 OXRKNROQESPUAV-MQRSDUHLSA-N 391.472 -0.246 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnn1C 1794228493 IQMMUZRIJQSTNR-YWVIFJGQSA-N 391.428 -0.472 30 20 GBED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCOC1)C2 1795602557 RLXFSMNSXFBYRL-JONQDZQNSA-N 378.473 -0.106 30 20 GBED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)[C@@H]1CCCS1(=O)=O 1800390003 SAGCJVPANKMYLA-IVSAIRAKSA-N 380.466 -0.433 30 20 GBED C[C@H](Oc1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800781064 GLRCKFYJBMAIJH-FLTUCWPJSA-N 387.392 -0.474 30 20 GBED N#CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@H](N)C(N)=O)CC2 1814492905 KLORINWDTTWOGJ-UWVGGRQHSA-N 378.458 -0.048 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCC(=O)NC3)CCO2)C1 1829944200 AVPHENRZWISOQJ-LIRRHRJNSA-N 392.456 -0.481 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1831402826 SLQOAVKMAGZMHG-UZLBHIALSA-N 394.468 -0.214 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1831421568 KWSDSRJNRQAYPR-KSSFIOAISA-N 393.444 -0.524 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1 1831492174 KEFDOXNFTYMHDD-DOTOQJQBSA-N 390.502 -0.594 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836868905 UMDOBSDOYZORHV-GOSISDBHSA-N 384.396 -0.287 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)C3CC3)C2)C1 1837390866 FCBZNBCIBWXDIA-MGPUTAFESA-N 394.468 -0.005 30 20 GBED CC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527291 KRTGCFAZXWGRFA-FAEOQQOKSA-N 397.428 -0.439 30 20 GBED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1839875195 RYRQSXBUARIMDX-OXJNMPFZSA-N 391.468 -0.228 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)c1ccc(C)cc1)CCO2 1840906307 VXGYMSZMMSDGIU-OAQYLSRUSA-N 399.447 -0.186 30 20 GBED O=C1CNC(=O)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/N1CCCCC1 1848029752 BPXJJTRRVYWXEU-CFWACLDLSA-N 390.444 -0.788 30 20 GBED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NC[C@H]1CCCO1 5366758 DFTUXTVUWXCECP-CYBMUJFWSA-N 381.410 -0.325 30 20 GBED C/N=C(\NCCN1CCOCC1)NCc1cccnc1N1CCN(C)CC1 264984156 MVVGCZSUTGWHAG-UHFFFAOYSA-N 375.521 -0.169 30 20 GBED CN(C[C@H](O)CN1CCOCC1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 267728308 TXFMXMFOHQGUKQ-KRWDZBQOSA-N 395.481 -0.375 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCC(=O)N1CCOCC1 268769212 RWWVAVQKGVCGSB-ZDUSSCGKSA-N 394.453 -0.410 30 20 GBED COc1cc(S(=O)(=O)NCCn2cnc(C#N)n2)cc(C(=O)O)c1OC 285507061 PXTXPUBBYYEXNX-UHFFFAOYSA-N 381.370 -0.156 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc2c1CNC2=O 289301468 VPZCOUDKUJNXQH-UHFFFAOYSA-N 385.424 -0.057 30 20 GBED O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)CC/N=C(/O)[C@H]2CCCO2)CC1 328783033 JVXQXOGEEFUCOQ-KGLIPLIRSA-N 389.474 -0.225 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(/C(O)=N/[C@H]1CCc3c[nH]nc3C1)C2 329796712 DZGGJHRSUSSVSW-LBPRGKRZSA-N 388.432 -0.857 30 20 GBED Cn1ccnc(NC[C@H]2CN(C(=O)CNc3cccc(C#N)c3)CCO2)c1=O 434681596 QFJIJOHQASVTRS-INIZCTEOSA-N 382.424 0.403 30 20 GBED CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460613130 PVXUDSIFXOLHHI-CYBMUJFWSA-N 381.396 0.123 30 20 GBED Cc1ccc(C(=O)N[C@H](CO)c2cnn(C)c2)cc1S(=O)(=O)NCC#N 481872549 OTGDMEGXXMNTND-CQSZACIVSA-N 377.426 -0.006 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)C1=O 483703620 XVKRRURBZFNFOC-UHFFFAOYSA-N 396.363 -0.114 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](S(C)(=O)=O)C3)CC2)o1 502954127 WVQDLUPXJHQKNG-CYBMUJFWSA-N 381.458 -0.378 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)cc1 514551436 BXJJEKAQYYBCBY-AWEZNQCLSA-N 398.485 -0.530 30 20 GBED N#Cc1ccsc1NC(=O)CN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 533517222 DFMIVSRDCCMAIB-QWHCGFSZSA-N 384.483 -0.354 30 20 GBED COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 592326492 ZFYLWQUKPHKVIJ-JSGCOSHPSA-N 398.379 -0.540 30 20 GBED C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 592792218 DNTVSKLYQKZIEV-UONOGXRCSA-N 380.470 -0.250 30 20 GBED CN(C)S(=O)(=O)N1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 603557405 QEUCHIMQKSEVOX-INIZCTEOSA-N 382.486 -0.084 30 20 GBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H](O)COc1ccc(CC#N)cc1 610967636 MEEAJSUWRNLIMF-CVEARBPZSA-N 395.481 -0.273 30 20 GBED Cn1ccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n1 619251657 JRAZMDAOVZXIEX-UHFFFAOYSA-N 390.425 -0.019 30 20 GBED C=C(CNC(=O)[C@@H](C)CN1CCOCC1)CNC(=O)[C@H](C)CN1CCOCC1 620747664 DXHWPIOVVMXENT-HDICACEKSA-N 396.532 -0.288 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)NC)C2)c1 676732696 QYEVCCOEXHSAAN-CQSZACIVSA-N 387.483 -0.085 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)CC1 735380322 FYHTWYYBLNDQRB-UHFFFAOYSA-N 399.480 -0.148 30 20 GBED N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CCC1 771079682 WOSGUFMMRKVOER-AUZPSNTRSA-N 377.422 -0.067 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(C(=O)NCCO)CC2)CC1 774577872 QNMNLAAFLPECLB-KRWDZBQOSA-N 379.505 -0.501 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cccc(OC)n2)c1=O 790429172 OAYOLWOMDNJITA-UHFFFAOYSA-N 380.429 -0.248 30 20 GBED CN1CCN(c2ccccc2NC(=O)C(=O)NCCn2cnc(C#N)n2)CC1 807366889 IDMUARUYTMKVBX-UHFFFAOYSA-N 382.428 -0.344 30 20 GBED C[C@@H]1CN(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)CCO1 807632744 YMSNDOFZGABYPB-GFCCVEGCSA-N 381.410 -0.373 30 20 GBED C=CCC(F)(F)C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 815051111 NBJSCAOFCKVPMG-LLVKDONJSA-N 386.442 -0.141 30 20 GBED C#C[C@H](CC)NS(=O)(=O)c1ccc(S(=O)(=O)N=c2nc[nH]n2C)cc1 848637432 QBBYXPUOAQDEOR-LLVKDONJSA-N 383.455 -0.272 30 20 GBED COC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(c2cc(C#N)ccn2)CC1 912529926 HQFOFJNURDEZBG-UHFFFAOYSA-N 376.398 -0.026 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1O 1023942579 DJWUTHKDRIOJJL-QOWREQOWSA-N 376.413 -0.604 30 20 GBED Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nc2)c(=O)n(C)c1=O 1055100678 CJVZVLXESFDECJ-KCXAZCMYSA-N 380.408 -0.110 30 20 GBED C#CCNC(=O)CC(=O)N1CCOC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 1061736152 DEHKLTQCHWQZOM-YRBFXIGRSA-N 377.441 -0.715 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCN(CC(N)=O)CC1 1070380741 XHFJPEJXNCBDAW-QXGSTGNESA-N 392.500 -0.072 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC[C@@H]1CCOC1 1109175715 XUXOBCWJBFGRCM-FZKCQIBNSA-N 376.457 -1.000 30 20 GBED COC(=O)[C@](C)(CO)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1142013053 ZKDHJCKBBMDNIQ-QFYYESIMSA-N 383.426 -0.456 30 20 GBED C[C@H]1CN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC2(CCC2)O1 1261467494 JKRFXJWMZPNYNU-VCHHOEMESA-N 376.413 -0.201 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)n(CCC#N)n1 1320036971 NMCYTWRFXCBNFO-UHFFFAOYSA-N 375.433 -0.548 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)CCO1 1325072190 NYWUMSZHYFMIHP-MRXNPFEDSA-N 391.472 -0.716 30 20 GBED C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 1325643614 GIXBDNCZJBEBIG-IBGZPJMESA-N 389.456 -0.568 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 1328533346 PMJFGZAWPWHZNI-LSDHHAIUSA-N 385.472 -0.062 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccs2)C1 1329366046 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20 GBED C=CCNC(=O)[C@@H](C)N1C[C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2C1 1588656967 CVNZQGRQSHQXGN-BNOWGMLFSA-N 384.444 -0.111 30 20 GBED C=CCOC[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)OC 1588681437 NYZMCABAUPNQBI-CYBMUJFWSA-N 388.384 -0.543 30 20 GBED C[C@@H](NCC(=O)NCC#N)[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1589957212 BUPOJNAUYNJMEU-NEPJUHHUSA-N 385.432 -0.335 30 20 GBED N#CCSCC(=O)NC[C@H]1COCCN1c1ncc(-c2nn[nH]n2)cc1F 1592679400 PKBSOILJMYUJHG-NSHDSACASA-N 392.420 -0.021 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H]1C(=O)O 1598808233 DKZWHBNKLHJUIS-WDEREUQCSA-N 395.393 -0.943 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)O)c2ccn(C)n2)c1 1602725821 IHRURVONZRNAKR-CQSZACIVSA-N 376.394 -0.113 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[nH]n4)c(C)n3)C[C@@H]2O)cn1 1602739260 FSSZKQYBTMVOQF-CVEARBPZSA-N 390.407 -0.074 30 20 GBED CN(C)C(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1783677255 MTDQHBUJYCFORI-KKUMJFAQSA-N 391.472 -0.069 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1 1784578098 CYOFFLJAOAQRFD-YTFOTSKYSA-N 395.456 -0.352 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1784593014 VSDVZSHHINQPHW-CPUCHLNUSA-N 376.417 -0.898 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ncccc3n1)C2 1793342943 BEOPQTQRRFIYSE-ZXFNITATSA-N 397.435 -0.029 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)NC(=O)OCC 1798263627 XHADQARDJMBMBY-JHZZJYKESA-N 381.429 -0.273 30 20 GBED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)CN)C3)c1Cl 1798590169 FMSTYJJDFCLXQC-LMWOUKEDSA-N 391.859 -0.299 30 20 GBED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(C)=O)C2 1800490445 YWCZYDKLNYJLNB-RDDKANTKSA-N 381.473 -0.061 30 20 GBED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1829782100 LSOAZYILDSKGLO-KXBFYZLASA-N 382.505 -0.279 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1831397139 URFXBOZQOCMYFO-FZKQIMNGSA-N 393.396 -0.512 30 20 GBED N#CCC(=O)NC1CCN(C2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1834399299 WJYLHUKZSADGNS-UHFFFAOYSA-N 375.477 -0.688 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837254158 UNPXSRWSNPWWRV-KCLICXKESA-N 397.497 -0.404 30 20 GBED C[C@@H]1CCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042699 JBFGPJPBZLTSNW-VCBZYWHSSA-N 378.425 -0.033 30 20 GBED COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840165882 MNKFBGGZLVEWSD-XHDPSFHLSA-N 375.447 -0.883 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1840172957 RRFGFWOHTXSYCY-QGZVFWFLSA-N 378.385 -0.466 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cc(C(=O)O)ncn1)C2 1841054010 AUIFJFILDMTVFZ-PLNGDYQASA-N 399.407 -0.150 30 20 GBED CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1)C(=O)O 1844313988 JDMAJEMXGOOOFL-IEEVUCOHSA-N 376.413 -0.035 30 20 GBED CCn1cc(C#N)c(=O)n(CCCCn2c(=O)c(C#N)cn(CC)c2=O)c1=O 119052182 HDACYNRTQWFXMT-UHFFFAOYSA-N 384.396 -0.403 30 20 GBED Cc1nnnn1-c1ccc(F)c(NC(=O)CO/N=C(\N)CN2CCOCC2)c1 268520245 UXZRMEWMSCIJLP-UHFFFAOYSA-N 392.395 -0.331 30 20 GBED N#CCN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 299623779 JMGSOHWKGVYOKO-UHFFFAOYSA-N 391.453 -0.912 30 20 GBED CCCS(=O)(=O)NC1CCN(/C(O)=N/C[C@@H]2CN(C)CCN2C)CC1 329498062 XSPAVBLXOQDHEK-OAHLLOKOSA-N 375.539 -0.060 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N1CCOC[C@H](C2CCC2)C1 349481758 PAMWEMNOFXQJIA-CQSZACIVSA-N 379.504 -0.102 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)o1 376348582 HAHMDWLECKSPFD-ZDUSSCGKSA-N 389.455 -0.034 30 20 GBED CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 410588865 HTSRYNBIDKAQBX-IAGOWNOFSA-N 398.467 -0.247 30 20 GBED CCN1CCN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)[C@H](C)C1=O 410714069 LKIIDALCJGCLNW-CQSZACIVSA-N 384.440 -0.319 30 20 GBED CN(C)CCOCCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 570997027 DCVMKNOETUWYGY-GOSISDBHSA-N 387.484 -0.083 30 20 GBED COC[C@H](CCO)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 572542950 SHVMSUJDKPXPBN-LBPRGKRZSA-N 391.471 -0.494 30 20 GBED CC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1 580347309 RKFWOXWBOBWSCB-GFCCVEGCSA-N 386.455 -0.612 30 20 GBED C[C@H](CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)S(C)(=O)=O 588630785 ZSXLOYDZPCRRSI-CQSZACIVSA-N 392.481 -0.248 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 596749250 PTYQSCIBRZAADH-MRVWCRGKSA-N 394.457 -0.620 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 610666834 CDGULGPUOCQSOH-HIFRSBDPSA-N 382.490 -0.221 30 20 GBED Cn1nc(Br)c2c(=O)n(CC(=O)OCC(=O)NCCC#N)cnc21 727221655 WZWOAYFOEUROQI-UHFFFAOYSA-N 397.189 -0.534 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2c[nH]nc2-c2ccccc2)c(=O)n(C)c1=O 755804279 LJOSIXSGXFRUDN-UHFFFAOYSA-N 388.409 -0.214 30 20 GBED N#Cc1cc(F)c(S(=O)(=O)NCCS(=O)(=O)N2CCOCC2)c(F)c1 757879314 ALWVBHUJDCBOJX-UHFFFAOYSA-N 395.409 -0.223 30 20 GBED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CCN1CCCS1(=O)=O 766978976 UGBRLDMSLMREEA-UHFFFAOYSA-N 387.439 -0.203 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3nn[nH]n3)s2)c(=O)n1C 819750677 JNVUIFPHCWNWLD-UHFFFAOYSA-N 399.461 -0.506 30 20 GBED C[C@H]1CC(=NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)NO1 824882569 BUAMWBFYJFDZST-DTWKUNHWSA-N 379.402 -0.228 30 20 GBED N#Cc1ccc(N2C[C@H](C(=O)NS(=O)(=O)CC(N)=O)CC2=O)cc1Cl 835293001 MASYNFVHXFTBQR-SECBINFHSA-N 384.801 -0.504 30 20 GBED C#Cc1cccc(CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 836656882 OLLLMWWWHILZPI-UHFFFAOYSA-N 384.436 -0.120 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1 838173161 OLMWDYMVUVAJDA-UHFFFAOYSA-N 380.382 -0.533 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(C(=O)OC(C)(C)C)=NO2)CC1 848070155 IEPUSOBCBNRNNB-AWEZNQCLSA-N 378.429 -0.633 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1OC 946818260 BUTQSKHHWXLEOB-LVQVYYBASA-N 375.425 -0.068 30 20 GBED C[C@H](C#N)C(=O)N1CCN(C2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)CC1 967246288 XYYKGKZGPFVWBE-YQFWSFKMSA-N 376.457 -0.447 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2nc(C)c(C)[nH]c2=O)C1 968092737 YLDXHUKXZZCDCN-KBXIAJHMSA-N 390.440 -0.331 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(CO)(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 1081007279 KOOMSKGHFFCKDJ-FZKCQIBNSA-N 393.484 -0.051 30 20 GBED C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(CCC#N)CC1 1152068907 RMPJXIKDMYLHBW-GXTWGEPZSA-N 386.499 -0.166 30 20 GBED CCOC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC12COC2 1261893412 QALICQMFMRCBDI-HUUCEWRRSA-N 390.440 -0.777 30 20 GBED CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)NCCNc2ncccc2C#N)O1 1325559772 VFIZOOXGFHETGM-UONOGXRCSA-N 388.428 -0.767 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N2CCOC2=O)cc1 1327289683 WLJRRNRCRWLXGU-UHFFFAOYSA-N 395.437 -0.024 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N(CCN2CCOCC2)CC2CC2)CCN1C1CC1 1329457022 FZNQYYWQDVDVEY-GOSISDBHSA-N 389.500 -0.244 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC(N(C)C(=O)OCC)CC1 1329815179 URIVLOGDZGJUNE-UHFFFAOYSA-N 389.474 -0.217 30 20 GBED C=CCN(C(=O)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1)[C@@H](C)COC 1329952280 PATHOPSDFBBKQC-HOTGVXAUSA-N 380.489 -0.294 30 20 GBED Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CNC[C@@H]3C#N)CC2)cn1C 1332178590 DOUMJYGNQIEXIK-KBPBESRZSA-N 380.474 -0.643 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CNC(=O)C1 1333041953 SMTIEVAJBMOCCU-LLVKDONJSA-N 386.455 -0.755 30 20 GBED C[C@H]1CN=C(N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)S1 1465133724 SVXDGNFYQWMJKN-NSHDSACASA-N 376.442 -0.154 30 20 GBED COC[C@]1(CO)CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1468138621 SWRQOTOXMVHXQK-QGZVFWFLSA-N 381.454 -0.027 30 20 GBED CC(=O)N1C[C@@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)Oc2ccccc21 1470360690 JJXNDOSLITVLDT-HNNXBMFYSA-N 383.364 -0.249 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(C(=O)CCOCc3cnn[nH]3)C[C@H]21 1575013463 PHLHHPZZQGDRIL-IIAWOOMASA-N 375.429 -0.191 30 20 GBED COCC#CCN1CCN(CCCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1579618778 NCTXIZSTLJHKSL-UHFFFAOYSA-N 386.460 -0.418 30 20 GBED N#CCNC(=O)CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 1581858216 VUMDTVZOHCTVFS-SRVKXCTJSA-N 383.416 -0.583 30 20 GBED N#Cc1ccc(N2CC[C@@](O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nc1 1581871213 MAHAAAQXHBHAFT-QGZVFWFLSA-N 379.384 -0.167 30 20 GBED N#Cc1nc(N2CCOC3(CCS(=O)(=O)CC3)C2)cnc1-c1nn[nH]n1 1581879431 LELULXKXTGGYJR-UHFFFAOYSA-N 376.402 -0.688 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nc3ncccc3cc2-c2nn[nH]n2)CC1 1588354059 ONSKSZDIUAIQNT-UHFFFAOYSA-N 399.440 -0.601 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1778391685 BKCSUNCLRPLJOM-HXUWFJFHSA-N 397.387 -0.287 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ncon3)C2)C1 1779864719 TVSHVAVREYITFK-LIMHQNJXSA-N 375.385 -0.629 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781421854 PFLMAQPRSHPYPC-RDTXWAMCSA-N 377.445 -0.319 30 20 GBED CNC(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1784411434 WSHCAEWWCGNRFF-DRERCTCGSA-N 390.440 -0.186 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1784470791 OYIOIQKUAOSCHT-IIDMSEBBSA-N 375.429 -0.293 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)NC3)C[C@@H]21 1784474785 OTCLLHIIRDWKGD-QEOTZNIISA-N 391.468 -0.469 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSCC(=O)O)C[C@@H]21 1784481958 ZUAFWOHYDKEFCG-QPSCCSFWSA-N 398.481 -0.178 30 20 GBED C#CCCC(=O)N1CC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1785423438 VKGYDBCZAZNTQE-FQEVSTJZSA-N 376.501 -0.133 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Cn1cncn1)C2 1793343960 FATFSBYFSZYLED-VIQHNZTISA-N 389.456 -0.458 30 20 GBED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)n1cnnn1 1831224024 AVTNAYJOEKBUBI-RDTXWAMCSA-N 388.428 -0.896 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1831484831 GMZJJSJXMYOSIQ-PBHICJAKSA-N 397.501 -0.161 30 20 GBED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1832297055 IWHOLQOYVVDVOA-DYVFJYSZSA-N 387.502 -0.371 30 20 GBED Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)c(=O)[nH]c1C 1833385479 LESXWCYBZVYKBM-GOSISDBHSA-N 389.412 -0.630 30 20 GBED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836139219 HSMKXLNWGGSPND-CRAIPNDOSA-N 377.445 -0.053 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC=O)CCO2)C1 1839163286 JTMVACZGYNYMRL-IIDMSEBBSA-N 398.460 -0.622 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2 1840182009 TUVKRGAXZRSMOV-MSOLQXFVSA-N 384.429 -0.365 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1840844551 BPPNLPFEJYRGRN-CRAIPNDOSA-N 375.429 -0.291 30 20 GBED CN(CC(=O)N1CC2(CCCN2C(=O)c2cccc(C#N)c2)C1)C(=O)C(=O)O 1844895577 FEFXQSMESIAHHF-UHFFFAOYSA-N 384.392 -0.082 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCCNS(=O)(=O)CC)c1 51461725 FJCYTFVBVJFVFN-UHFFFAOYSA-N 387.483 -0.343 30 20 GBED Cn1c(=O)c2c(nc(Cl)n2Cc2cc(O)n3ncc(C#N)c3n2)n(C)c1=O 58985872 KERJAIYUCXIBTN-UHFFFAOYSA-N 386.759 -0.245 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 264886922 IYGCKNPLDCDJDL-UHFFFAOYSA-N 375.385 -0.960 30 20 GBED CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 287521454 RZHXXFWBTUAPPU-UHFFFAOYSA-N 389.231 -0.075 30 20 GBED CCN1CCN(CC(=O)N2CCN(c3snc(C)c3C#N)CC2)C(=O)C1=O 291250700 YBLIZSXDIRJSDM-UHFFFAOYSA-N 390.469 -0.338 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)CCO1 295628426 FPCYFASJGIQHAJ-CYBMUJFWSA-N 393.421 -0.147 30 20 GBED COCCN1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 297952671 WGQCJYWFEIMOJJ-UHFFFAOYSA-N 386.456 -0.608 30 20 GBED O=C(CN1CCOCC1)N1CCN(/C(O)=N/C[C@H]2CCN(C3CC3)C2)CC1 328662362 XGUYPZRQNIONPQ-MRXNPFEDSA-N 379.505 -0.139 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)C[C@H](C)O)ncc1C#N 349476954 HVZUPGPKMLQYKI-LBPRGKRZSA-N 390.487 0.036 30 20 GBED Cc1ncc2c(n1)CCN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)C2 349519790 QLVQQPBMHZGAIZ-UHFFFAOYSA-N 387.487 -0.352 30 20 GBED CC(C)N1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N)CC1 349531482 JKQNDDOQWMYCCI-AWEZNQCLSA-N 380.536 -0.094 30 20 GBED Cc1ccc(S(=O)(=O)NC2CN(C(=O)NCCn3cnc(C#N)n3)C2)cc1 365744243 VRXRKEFVXSFOSC-UHFFFAOYSA-N 389.441 -0.170 30 20 GBED Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC(=O)NCC#N)cc1C 367817444 YKYCXKLPTYNLOD-HIFRSBDPSA-N 394.453 -0.817 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 374449860 PWYSEMCWBUZKLP-UONOGXRCSA-N 394.519 -0.551 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CNCCCO2)CCN1Cc1ccccc1 420180473 BNFGZJUUSZMVEH-ROUUACIJSA-N 385.468 -0.282 30 20 GBED CNC(=O)[C@H](CO)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 451397484 HVKPGYXVUOPIQJ-VIFPVBQESA-N 380.195 -0.155 30 20 GBED CCS(=O)(=O)NCCCNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472198319 TZBXUGBQGAOMAY-UHFFFAOYSA-N 397.505 -0.239 30 20 GBED C[C@@H](CNC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)S(N)(=O)=O 542890531 QJMWKPXAYSLZEJ-LBPRGKRZSA-N 394.453 -0.279 30 20 GBED C[C@@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 555032764 HXXGQQXUWWLGGD-LLVKDONJSA-N 388.409 -0.277 30 20 GBED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 566926996 SDSOJHMTIBONMI-WDEREUQCSA-N 393.350 -0.131 30 20 GBED COCCN1CC[C@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 573373168 OQDRSGHYMMBUCJ-ZDUSSCGKSA-N 383.412 -0.086 30 20 GBED COC(=O)C1(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCOCC1 592802945 RHWCYWPHZUYXCO-UHFFFAOYSA-N 381.410 -0.325 30 20 GBED N#CCCN1CCN(C(=O)CSCC(=O)N2CCN(CCC#N)CC2)CC1 602207693 DFCXHPMEXBWOFI-UHFFFAOYSA-N 392.529 -0.165 30 20 GBED C[C@H](NC(=O)c1cccs1)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732909982 IGMOMZJFMGNDSB-QWRGUYRKSA-N 383.451 -0.168 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](Cc2ccc(O)cc2)C(=O)O)C1=O 736106975 NXEVOVYAKSRCHT-LBPRGKRZSA-N 389.364 -0.272 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(C(C)=O)cc2)CC1 761033739 ZLSSQTASOPESLW-UHFFFAOYSA-N 378.454 -0.087 30 20 GBED CCOC(=O)CON=C(C(=O)N1CC(OCC(=O)N(C)C)C1)c1cc[nH]n1 772347633 WFJBIJVVBGADPX-UHFFFAOYSA-N 381.389 -0.991 30 20 GBED C=CCNC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 782342406 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UYFFDQRMFWUMGF-MXYBEHONSA-N 388.424 -0.250 30 20 GBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)c(Cl)c1 1041347109 PUIFMYLKWOIFER-FVCCEPFGSA-N 379.804 -0.695 30 20 GBED C=CCN1CC[C@@H](N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2CC(=O)NC2=O)C1=O 1098055511 DRQADVMRFIVIAR-YIYPIFLZSA-N 375.429 -0.953 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 1116532479 STRKVWFVAZRESW-UHFFFAOYSA-N 384.396 -0.367 30 20 GBED N#Cc1cccc([C@@H]2CN(C(=O)C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)CCO2)c1 1117559409 IEGVOIZMLORBMG-XHSDSOJGSA-N 386.408 -0.393 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 1120388829 SYTQXPVERFMNJD-HNNXBMFYSA-N 379.438 -0.163 30 20 GBED CN(Cc1nnc2n1CCNC2=O)S(=O)(=O)c1c(F)cc(C#N)cc1F 1213709141 IZFUWSILVOQZNU-UHFFFAOYSA-N 382.352 -0.008 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CCC[C@]2(C)NC(=O)NC2=O)CC1 1319404864 ZEKSIICYCWIAFG-SFHVURJKSA-N 377.445 -0.962 30 20 GBED CCc1cc(CNC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)n[nH]1 1323401367 XBPPJLBYBFZBLV-GFCCVEGCSA-N 382.428 -0.013 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 1325199588 KBGGKKYWVZCVBG-ZDUSSCGKSA-N 379.438 -0.375 30 20 GBED CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)[C@H](C#N)C1 1327876135 RASRDEVVVOCYAT-CHWSQXEVSA-N 386.474 -0.265 30 20 GBED CNC(=O)[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1330948375 LIPCELUOYYILGO-HNNXBMFYSA-N 384.440 -0.414 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)C1=O 1340885930 CQHQACOWBZTQCG-OAHLLOKOSA-N 398.419 -0.356 30 20 GBED COC(=O)c1c(F)cc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1F 1346610899 RRJGBIWGQBZMBW-UHFFFAOYSA-N 378.295 -0.031 30 20 GBED CCS(=O)(=O)N1CCN(c2nnc(-c3cn(CCCC#N)nn3)n2C)CC1 1349848004 XLMPXNHPARTDNK-UHFFFAOYSA-N 393.477 -0.151 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@H]2O)c1 1573291848 KRHYLRMLWZVOOV-CHWSQXEVSA-N 377.368 -0.988 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2CCCN2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1574937445 XBNSYJHGFXNAOD-STQMWFEESA-N 384.506 -0.126 30 20 GBED Cc1nc(N2C[C@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)ccc1-c1nn[nH]n1 1581483517 FQJAAWVXINPJIG-KGLIPLIRSA-N 379.384 -0.251 30 20 GBED N#Cc1cc(C(=O)N[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C[C@@H]2O)c[nH]1 1581865561 LFHGAJNNUPWJJI-ZFWWWQNUSA-N 379.384 -0.169 30 20 GBED C#CC[C@H](COC)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C(=O)OC 1588334503 YVGNALOPUSNMDC-LLVKDONJSA-N 379.398 -0.030 30 20 GBED C#CCNC(=O)CN[C@@H]1CCCCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588354620 SASPYQIMLZXXIW-CQSZACIVSA-N 384.444 -0.081 30 20 GBED O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1 1592980238 ABKSDEYDHPEPJH-YPMHNXCESA-N 385.384 -0.284 30 20 GBED N#Cc1cccc([C@@H](C(=O)O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 1601117275 ANYQLZPGWGUJDU-INIZCTEOSA-N 394.453 -0.121 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CCCN(c2nccnc2-c2nn[nH]n2)CC1 1602721408 IHYVURNFZMRSSF-AWEZNQCLSA-N 381.444 -0.207 30 20 GBED C=CCC1(O)CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 1602822534 ARKCFLXRQBKVNO-NSHDSACASA-N 392.441 -0.317 30 20 GBED CC#CC[C@@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1602889918 OZGNOFRSPYKTJM-YPMHNXCESA-N 392.441 -0.576 30 20 GBED CC(=O)N1CCN(CCNC(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)CC1 1602929029 KKASNTIPDXVRLA-KRWDZBQOSA-N 396.455 -0.171 30 20 GBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1781696461 ZKBFFDLUAQCFPP-SJKOYZFVSA-N 395.506 -0.006 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC)NC(N)=O)C[C@@H]21 1784482033 BPWSISNICCZSRA-YXMSTPNBSA-N 394.472 -0.549 30 20 GBED Cc1cn(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)c(=O)nc1O 1785354391 KIDMXHCVDKKZFZ-SJCJKPOMSA-N 396.469 -0.594 30 20 GBED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCNC4=N)[C@H]3C2)C1 1786840387 DYFPIAHBIRKIIB-BPUTZDHNSA-N 375.473 -0.228 30 20 GBED CN1N=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)CCC1=O 1793789312 KXPHOHVQOGLBQM-YWVIFJGQSA-N 387.440 -0.122 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CC(=O)N3)C2 1800777520 YDYHJAHHUKCIEK-HBCWATKFSA-N 397.387 -0.528 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)CCn2cncn2)[C@@H]1c1cccnc1 1812882366 MXPQPUHRYWASSK-HNAYVOBHSA-N 396.407 -0.143 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1829773621 OVHYAYUYNQYDHA-JNJICJOQSA-N 397.497 -0.381 30 20 GBED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834767424 ICPBAXITNHKNSM-YJBOKZPZSA-N 380.445 -0.339 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)ncn4)C3)C2)CC1 1835338884 XLKZFGNOTWPUGV-SFHVURJKSA-N 387.396 -0.444 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CN)C2)C1 1839225123 XZMRAVVIKOMEJE-RKVPGOIHSA-N 384.477 -0.162 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1839809331 LQAFVQTVBDTCST-FQEVSTJZSA-N 395.419 -0.030 30 20 GBED CN[C@H](CC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1)C(=O)O 1844300326 ZHZZSCPVOTVQQV-NQBICTHYSA-N 396.444 -0.219 30 20 GBED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1846367597 DDFYXWUSMOTLLY-SECBINFHSA-N 384.483 -0.027 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCN1CCN(C)CC1 268716645 IXKVAHRCVGIBQS-OAHLLOKOSA-N 393.513 -0.021 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)C1=O 269131269 HJJWRWOWLGLADB-LSDHHAIUSA-N 392.456 -0.153 30 20 GBED COC(=O)c1cn(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nn1 276858800 FUFBJCSGSRIOLG-AWEZNQCLSA-N 382.380 -0.146 30 20 GBED CCN1CCC[C@@H]1CN/C(N)=N/CCS(=O)(=O)NC[C@H]1CCCCO1 304762248 VKXQRNSEYGVQIT-HUUCEWRRSA-N 375.539 -0.137 30 20 GBED O=S(=O)(N1CCOCC1)N1CCN(/C(O)=N/[C@H]2CCCSC2)CC1 330135305 SMFLZGUVKTWFPU-ZDUSSCGKSA-N 378.520 -0.009 30 20 GBED C[C@@H]1COCCN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)C2CC2)C1 349486149 ALEBKDCVECTXOL-ZDUSSCGKSA-N 379.504 -0.008 30 20 GBED Cn1c(Nc2cnn(Cc3nnc4n3CCCC4)c2)c(C#N)c(=O)n(C)c1=O 365468770 YHLZRZHEBVCBBP-UHFFFAOYSA-N 381.400 -0.128 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)C1=O 370549080 XWLMZJOUYSTXER-UONOGXRCSA-N 378.429 -0.277 30 20 GBED O=C(NCC#Cc1cccc(F)c1)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 419683560 XBNXAHFAHLNQPN-QGZVFWFLSA-N 386.427 -0.284 30 20 GBED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC1 422480902 NURUCEDXXPSHNL-HNNXBMFYSA-N 395.504 -0.272 30 20 GBED CN1C(=O)NCC12CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC2 425333582 FTTABYCWWSUWBF-UHFFFAOYSA-N 391.453 -0.147 30 20 GBED CC(=O)NCCNC(=O)CCC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465193074 IRODEIGZYDBMII-CYBMUJFWSA-N 387.444 -0.582 30 20 GBED C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NCC(=O)NCC#N)CC2)C1 511917839 ABMYFCLVVDDPEU-GJZGRUSLSA-N 378.477 -0.352 30 20 GBED CO[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 518999673 JKKSICAPGNQANC-ZLKJLUDKSA-N 389.455 -0.431 30 20 GBED Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 530272926 UVLYTJCNLKCYFW-GOSISDBHSA-N 385.380 -0.875 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)Cn3cc(S(N)(=O)=O)cn3)CC2)c1 537297905 JGUPFXFBFDUKEE-UHFFFAOYSA-N 375.414 -0.854 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCCNS(C)(=O)=O 544167168 DKSDNNJYDJNKQS-UHFFFAOYSA-N 398.441 -0.423 30 20 GBED CCN1CCN([C@H](C)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 566011548 WPDWLWAGFISDLT-OAHLLOKOSA-N 393.513 -0.021 30 20 GBED N#CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CC1 596275389 QGUHCYWRYZDJPH-UHFFFAOYSA-N 381.462 -0.586 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N(C)C)CC2)c1 613251875 GGBZSUXDTKXDOE-UHFFFAOYSA-N 394.497 -0.003 30 20 GBED C#CCN(C(=O)COc1ccccc1-c1nn[nH]n1)[C@H]1CCS(=O)(=O)C1 735375025 RINAJAJHNAEREY-LBPRGKRZSA-N 375.410 -0.106 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC2CCN(C(C)C)CC2)C1=O 744919022 QWXAEPCQDSSSFP-UHFFFAOYSA-N 394.428 -0.505 30 20 GBED Cn1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)c1 763460387 JUIGNLDWORMJBK-UHFFFAOYSA-N 399.476 -0.705 30 20 GBED C#CCCN1CCN(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CC1 776593859 NWMFHPNQVRYMJD-QZTJIDSGSA-N 397.541 -0.178 30 20 GBED N#CC1(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCCO)s2)CCC1 784230298 LYWZQFCEEGMCHK-UHFFFAOYSA-N 387.439 -0.262 30 20 GBED CCN(CC)S(=O)(=O)c1cc(C(=O)NCCn2cnc(C#N)n2)n(C)c1 803550154 KQPRHYHNKRGVPP-UHFFFAOYSA-N 379.446 -0.051 30 20 GBED C#C[C@H](NC(=O)C(=O)N(CCO)CCNC(=O)OC(C)(C)C)[C@H]1CCCO1 809312310 MICWBNLJLWIAIJ-UONOGXRCSA-N 383.445 -0.371 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CSCN2C(=O)CCC)CC1 831561240 RIFDRMJUFUVOLM-CYBMUJFWSA-N 388.515 -0.700 30 20 GBED CON(C)S(=O)(=O)CCCS(=O)(=O)Nc1nc2n(c1C#N)CCS2 848957918 YAKOSAPVDRAHRB-UHFFFAOYSA-N 395.488 -0.185 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2n[nH]cc2F)C1 990955109 OQBIMNIDYHJDRM-ZZVYKPCYSA-N 389.391 -0.087 30 20 GBED C#CCOc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3OCCO[C@H]3C)C[C@H]2O)cc1 1023764973 FYAPHYNDXBZETP-LIRZEXBASA-N 388.420 -0.196 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)Nc2cnccn2)C[C@H]1O 1077807218 HEWYNIPTZFHHNQ-BORJPKMPSA-N 389.456 -0.052 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@H]1COC(=O)C1 1109149634 HJOOZZXLJGORJN-MQYQWHSLSA-N 378.429 -0.327 30 20 GBED CCCCN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109560455 AQWADQJYDHLRKR-LTIDMASMSA-N 377.489 -0.151 30 20 GBED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N(C)CC(C)(C)C#N)CC1 1117858765 QNQCDLCYMUTZLJ-HNNXBMFYSA-N 395.504 -0.320 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)c2nc(N)nc(N3CCOCC3)n2)CC1 1118315208 MXWKFFYCUWXDDN-UHFFFAOYSA-N 395.427 -0.481 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CCCN(CC(N)=O)C2)cc1 1318458951 CBZJJFJTQQORCH-HNNXBMFYSA-N 378.454 -0.461 30 20 GBED O=C(COC(=O)CC#Cc1ccccc1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 1319993219 DFWBJVVSAQVPLP-CQSZACIVSA-N 378.406 -0.016 30 20 GBED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)NCC2CCC(C#N)CC2)CC1 1326159845 WFOOZHYWCRYNEU-UHFFFAOYSA-N 391.472 -0.370 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1OCCOC 1327473049 DIXLGXUKMQBXGT-LLVKDONJSA-N 386.426 -0.283 30 20 GBED N#C[C@@H](C(=O)NC1CC1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 1524677281 BRDOLGYGCJRVPP-CQSZACIVSA-N 390.421 -0.592 30 20 GBED Cc1nc(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)n[nH]1 1542933133 JKKZEMKZTLKDSR-CYBMUJFWSA-N 385.432 -0.088 30 20 GBED N#Cc1cc(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[nH]n3)nn2)c[nH]1 1581865016 AVFQDMRWCYVOSA-GFCCVEGCSA-N 380.372 -0.508 30 20 GBED C#Cc1ccc(C(=O)N(C)C[C@H](O)CNc2cncc(-c3nn[nH]n3)n2)nc1 1588365471 VBFBSMLHBXGZNE-GFCCVEGCSA-N 379.384 -0.422 30 20 GBED C=CCCOCC(=O)NCC1(N=c2cc[nH]c(-c3nn[nH]n3)n2)CCOCC1 1588615922 NJLAHYGZSUPLCX-UHFFFAOYSA-N 388.432 -0.251 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588665547 MRQPJTFRKLYMTP-AAEUAGOBSA-N 389.416 -0.257 30 20 GBED C=CCOCCCC(=O)N[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1OC 1588682739 RRPTWVRGYXOFAR-ZIAGYGMSSA-N 388.432 -0.041 30 20 GBED CCn1cc(-c2nn[nH]n2)c(=O)n(CC(=O)[C@@H](C#N)c2nc(C)cs2)c1=O 1590949875 MDZYTNHRVTZGQQ-SECBINFHSA-N 386.397 -0.149 30 20 GBED N#Cc1cccc(-c2nn[nH]n2)c1N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1592698555 CILRVIZVFIRTRT-UHFFFAOYSA-N 394.395 -0.464 30 20 GBED CN(C[C@H](O)c1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1604720412 HWKTWWGUTDSXKG-KBXCAEBGSA-N 399.411 -0.764 30 20 GBED N#CC[C@@]1(O)CCN(c2ccc(-c3nn[nH]n3)c(N3CC[C@](O)(CC#N)C3)n2)C1 1609494788 NEEFNAVBKOMDAR-QZTJIDSGSA-N 395.427 -0.029 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778827965 ZCORWGOPVJMGNG-DYELUZBYSA-N 389.452 -0.311 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1778969779 SDLYCMULVSXLLR-PJIJBLCYSA-N 379.457 -0.332 30 20 GBED NC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779109304 LNNKQSXBWBGPNY-HQVSJVNPSA-N 397.432 -0.986 30 20 GBED COc1nccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1F 1783563240 YXHYMDNFCYFZJE-SFHVURJKSA-N 391.355 -0.239 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1783566406 AQQZUGMJIKDPGL-GOSISDBHSA-N 383.364 -0.739 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784115300 AKKFCRQQIMAKBR-KUHUBIRLSA-N 375.425 -0.047 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1784479714 GHLLRYDBUSSWQY-XSLAGTTESA-N 393.484 -0.663 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc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c1ccccc1)C2 1795579314 XTUHUKZNSCNDAE-XEMDLRDOSA-N 395.463 -0.532 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1 1795893257 XOGSLXRNNCYFFH-HGTKMLMNSA-N 378.433 -0.331 30 20 GBED NC[C@H](N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1796338372 NEIVQFIFCFHKQQ-GNRMWRSBSA-N 392.481 -0.637 30 20 GBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[C@@H]1SC(=N)NC1=O 1796428059 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CNC(=O)CN1CCC(/N=C(/O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 330733949 KNOYGMJJOIBFQI-LLVKDONJSA-N 379.383 -0.136 30 20 GBED C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 349478557 HGTMIURRXNHNOZ-LLVKDONJSA-N 386.455 -0.660 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C[C@H]1C 349511244 RITIKEWRHBTMHY-GFCCVEGCSA-N 380.492 -0.908 30 20 GBED C=CCSCCNC(=O)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 422273667 WIUPHYKOVHFUAD-UHFFFAOYSA-N 384.546 -0.065 30 20 GBED COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 444436313 MAPPMASWIDLYIG-DZGCQCFKSA-N 395.437 -0.065 30 20 GBED N#CCc1ccc(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)c(Cl)c1 451193494 PWIVXXNKWNRESG-UHFFFAOYSA-N 378.863 -0.084 30 20 GBED COC(=O)[C@H]1C[C@@H](O)CN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 473191303 MOCRXAZNIKFCRG-TZMCWYRMSA-N 377.401 -0.889 30 20 GBED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@]2(C#N)CCOC2)c1 478658392 VISFLALZCQUJFO-MRXNPFEDSA-N 380.426 -0.534 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3COCCN3)CC2)cc1 529374930 PIGHORNJOGMXAK-HNNXBMFYSA-N 393.469 -0.437 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC1(C(N)=O)CC1 568255792 CZFLHUYPJRYTMC-JTQLQIEISA-N 386.455 -0.485 30 20 GBED CN1CC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)NC3(C#N)CC3)cc2)C1=O 578549462 NYLHNKCNUYDEAO-ZDUSSCGKSA-N 398.466 -0.470 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@](C)(C(N)=O)C1 583642167 QQGHJZADILYONR-ZDUSSCGKSA-N 380.492 -0.875 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CC[C@H](O)C1 600099253 NBHKGHDWLHPQAA-AWEZNQCLSA-N 376.413 -0.295 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](N3CCOCC3)CC2)C1=O 670393977 OWRUUAJWXBGZSQ-AWEZNQCLSA-N 378.429 -0.324 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745442751 BBQJHKQRRYCUDM-RQVGPUOWSA-N 393.396 -0.519 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](C)S(=O)(=O)CC2)c1=O 762100622 RQOCPWRELYWCOR-CYBMUJFWSA-N 384.458 -0.990 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 783351105 UDVUJTBXSZOBGJ-UHFFFAOYSA-N 393.425 -0.774 30 20 GBED C#CCC[C@H](O)CNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 799082657 JJNMYGNGJVKXDW-LBPRGKRZSA-N 387.483 -0.447 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H](O)C(C)(C)C1 848958620 UZSHFGJCQOBBJV-CYBMUJFWSA-N 377.488 -0.802 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(C(F)(F)F)nn2C)c1=O 853467090 BHCBOHRWAJSPOE-UHFFFAOYSA-N 395.366 -0.456 30 20 GBED C#CCNC(=O)CN1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 859119251 OVLUURQEQJANLS-UHFFFAOYSA-N 378.432 -0.347 30 20 GBED C#Cc1ccccc1CC(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 970655667 GZKPTDDGEYKKJH-MLHJIOFPSA-N 383.448 -0.377 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(C)c(C(N)=O)cn2)C[C@@H]1O 970707837 WKNVCKBGULSDIY-FWYOQMDTSA-N 388.424 -0.618 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1C(=O)CNC1=O 1006386156 SEDIDFIDLONEHV-POQQGIQPSA-N 376.413 -0.623 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc2c(O)ncnc2cn1 1111327926 ZZIIGVFGJBNNSC-HCKVZZMMSA-N 381.396 -0.295 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C1CCN(C)CC1 1115892772 MDEOUPMRNNOQJQ-UHFFFAOYSA-N 386.481 -0.841 30 20 GBED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2cc(C#N)cs2)c1=O 1116204773 JTDXRJZRNTYDBY-UHFFFAOYSA-N 390.471 -0.086 30 20 GBED N#CC[C@@H]1CCCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 1118675336 SYADVZAMWNXMPH-ZDUSSCGKSA-N 388.515 -0.367 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(CC2CCOCC2)CC1 1323766882 SAMKZRAUIOIOOH-UHFFFAOYSA-N 387.502 -0.726 30 20 GBED C=C(Br)Cn1nnnc1N1CCN(S(=O)(=O)N(C)C)CC1 1343778868 SHWPBHYGHNHHSX-UHFFFAOYSA-N 380.272 -0.490 30 20 GBED C=CCn1c(C2CCN(CCO)CC2)nnc1N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1356019440 NXEFOMMWNQXIMZ-GASCZTMLSA-N 388.472 -0.313 30 20 GBED CC[C@@H](CNS(C)(=O)=O)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1468174468 ZPFCIMLDFASWAB-JTQLQIEISA-N 388.471 -0.831 30 20 GBED C#CCN1CCC[C@H]1c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC(=C)C 1524020169 XMJJLQNQOOYHGU-CVEARBPZSA-N 397.483 -0.229 30 20 GBED Cc1cc(=NCCN(CCO)C(=O)c2cc(C#N)c[nH]2)c(-c2nn[nH]n2)c[nH]1 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PBZKTEGBPZVMDI-BZNIZROVSA-N 381.410 -0.073 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCCn2cc(Br)ccc2=O)CCO1 1669448118 UIZMZIQJARUKJH-NSHDSACASA-N 391.247 -0.330 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1778777654 SWRGCGFIPHXFHE-SFHVURJKSA-N 383.364 -0.511 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC=O)CCO2 1781269810 OURBEIZNPWSYGB-KDOFPFPSSA-N 381.429 -0.540 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1783179743 WMBORYFTGDWQQO-KUHUBIRLSA-N 395.456 -0.150 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2 1783564782 MNZPLJQCHSTHAQ-FCGSJESLSA-N 393.396 -0.567 30 20 GBED CCOC(=O)/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1786376079 UYIRGBUWILDKGW-MXFADWRWSA-N 378.381 -0.827 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787295225 XFAMOCKRCYLPBV-DRZSPHRISA-N 389.364 -0.826 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC)C(=O)O 1795641997 FMZVSZOXEPIBOT-QKDZRIPBSA-N 397.472 -0.788 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnc2ccccc12 1796889203 MYMJFRKZFXKVOV-DBWKPXFBSA-N 394.387 -0.079 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ccncc12 1797058695 KEKSIWREABPFJH-ZXFNITATSA-N 397.435 -0.029 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CNC(=O)O1)C2 1799389754 RKWISZBSUGSTJY-HPCHECBXSA-N 382.417 -0.515 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200968 SRDBKVJKRDQJOV-ZYHUDNBSSA-N 390.400 -0.063 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)NC(C)=O)C3)C2)C1 1829673148 FWSYHUYJKPSOAB-LIRRHRJNSA-N 379.457 -0.066 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(N)=O)C2)C1 1831498800 QSIKMNQQNGXTLM-DOTOQJQBSA-N 387.502 -0.337 30 20 GBED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)on1 1832572694 FGFVROZSTJSANO-SFHVURJKSA-N 391.380 -0.930 30 20 GBED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1834771383 BFAFRYDQUKZZCB-RTLBZRNLSA-N 391.424 -0.134 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](N)c4ccccn4)C3)C2)CC1 1835342773 PKAYCESTRIKHJV-OXQOHEQNSA-N 399.451 -0.158 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(O)C3)C2)C1 1837391175 JELHMWYRLQYUME-SAONEMICSA-N 396.484 -0.213 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838632469 DDGKWMRFFHKUPG-SFHVURJKSA-N 389.412 -0.610 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1839809939 USTSBFOJAJRWFR-FQEVSTJZSA-N 395.419 -0.030 30 20 GBED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)CC1 1839896482 XHFIKBBUCMJNCP-KRWDZBQOSA-N 379.413 -0.300 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1840171505 IZKNBGFYAXSIPB-LJQANCHMSA-N 391.424 -0.666 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1841600684 MOFIUFXPRFONPS-XJKSGUPXSA-N 394.424 -0.277 30 20 GBED COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 371533334 GGEYQFYTGSEOBQ-YPMHNXCESA-N 395.437 -0.096 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 377939229 DEGXTBMIEZBJQA-UHFFFAOYSA-N 397.453 -0.098 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCCN3CCNCC3)CC2)cc1 419864451 IYIICKJNHFJSCM-UHFFFAOYSA-N 384.484 -0.776 30 20 GBED COC[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@@H]1CCCO1 435290918 LWIXDGCPUZNSRK-HOTGVXAUSA-N 398.423 0.447 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1C 461336972 BXTUDHFCMJSDNU-UHFFFAOYSA-N 391.424 -0.140 30 20 GBED COC(=O)[C@@H](O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 573728352 LLUBLJZOBMEXSH-INIZCTEOSA-N 395.437 -0.391 30 20 GBED CCOC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 574028661 ZJJWVMQCNUXCKJ-KRWDZBQOSA-N 386.368 -0.492 30 20 GBED CN(C)S(=O)(=O)NCC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 590415486 XFJGSZSYHFKIKQ-UHFFFAOYSA-N 379.486 -0.011 30 20 GBED N#CC1(NS(=O)(=O)c2cccc(S(=O)(=O)NC3(C(N)=O)CC3)c2)CC1 594631679 SGXHHVNXCXEZQU-UHFFFAOYSA-N 384.439 -0.683 30 20 GBED Cc1cc(N2CC[C@H](CO)[C@H](O)C2)c(C#N)c(N2CC[C@@H](CO)[C@@H](O)C2)n1 596205679 FQIXRCKFWDBJIQ-NONVJHHQSA-N 376.457 -0.379 30 20 GBED Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)Nc2cnn(CC#N)c2)cc1 746354596 VYKWLWAEVSWACH-UHFFFAOYSA-N 390.425 -0.252 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(CC(N)=O)CC1 764654310 LWLHSNCCIOQBIG-GFCCVEGCSA-N 393.469 -0.709 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)ncn3C)CC1 772936788 LQVWMBKWRBCDOE-UHFFFAOYSA-N 375.454 -0.371 30 20 GBED COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)NCCNc1ncccc1C#N 787787778 ORGONBNOBVAPDV-GJZGRUSLSA-N 391.428 -0.582 30 20 GBED CC(=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)c1cnnn1C 814851242 OCFVYUUWNRHGNB-UHFFFAOYSA-N 378.462 -0.018 30 20 GBED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N[C@H]3CNC[C@H]3C#N)CC2)c1 844195152 QFQGUBHIYUQGDC-WBVHZDCISA-N 391.497 -0.325 30 20 GBED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)Cn1nc2n(c1=O)CCCC2 845522841 QNKNIVZDKIQEQS-UHFFFAOYSA-N 379.373 -0.103 30 20 GBED C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncncc1OC 848960488 CEFPCJYKMZULAZ-LLVKDONJSA-N 376.460 -0.100 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1cnsn1)[C@H]1CCCO1 848962851 AOAHNQLNMUBCKF-GHMZBOCLSA-N 394.500 -0.230 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1nc(C)n(C)n1)C(C)C 848963316 PFWMNRGMTOCRER-GFCCVEGCSA-N 377.492 -0.167 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2ncn(C)n2)C1 990863793 ILAPJGRMRVIEKA-MQYQWHSLSA-N 386.416 -0.820 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cnn(C)c2C)C1 1024053033 OARRRIOXQNMOGE-VQHPVUNQSA-N 376.457 -0.060 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c(C)ncnc2O)C1 1025170215 APGAEJZBSVXHTR-JLNYLFASSA-N 376.413 -0.227 30 20 GBED N#Cc1cnc(N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)c(F)c1 1039622192 NAQLJSFAQMENOG-WVWOOGAGSA-N 384.375 -0.331 30 20 GBED N#Cc1nccnc1N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCc1nnc(O)nc1O 1093061170 MIJUSQFRCAWNML-XWIASGKRSA-N 382.384 -0.197 30 20 GBED C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C[C@H]1CCNCC(=O)NCC#N 1104674973 LINBVDAXEVXHTD-LVQVYYBASA-N 393.488 -0.664 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@H]1CCC(=O)N1 1109830368 XBEZZANXPRBGOF-MQYQWHSLSA-N 377.445 -0.612 30 20 GBED CN(C)S(=O)(=O)c1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)n(C)c1 1116565931 JHRXJPKECXLCTQ-PEZBUJJGSA-N 395.441 -0.468 30 20 GBED CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 1118766678 MPFKLCAFGAFCEE-GXTWGEPZSA-N 385.428 -0.878 30 20 GBED C=CCn1c([C@H](O)COC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1339269534 ZZQPSVIAGHJRMV-CQSZACIVSA-N 380.449 -0.282 30 20 GBED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)N(C)CC(C)(C)C#N)CC1 1344950151 IEIJJIRXJRBQTQ-UHFFFAOYSA-N 388.490 -0.495 30 20 GBED NCCC(=O)NC[C@H]1CCCCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 1349487321 MJPJPVYSAUDZOT-XAGMJWQQSA-N 377.445 -0.251 30 20 GBED CN(C)S(=O)(=O)NCC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1567483044 ILIAZRRXSUUILF-UHFFFAOYSA-N 376.442 -0.029 30 20 GBED N#Cc1nc(N2CCN(C(=O)c3ccc(O)nc3)CC2)cnc1-c1nn[nH]n1 1581879515 NUDDDBJWLQMNON-UHFFFAOYSA-N 378.356 -0.409 30 20 GBED C=CCN1CC[C@@H](N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1=O 1588654237 BWSZZOYCZJGOJD-SLEUVZQESA-N 382.428 -0.120 30 20 GBED CN(CC(=O)NCC#N)CC1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1591038696 LOUWJZGXSCTCKW-UHFFFAOYSA-N 385.432 -0.381 30 20 GBED C=CCn1c(Cc2ccc(-c3nn[nH]n3)nc2)nnc1N1CCCNC(=O)C1 1602879685 LRDFGDISFKPXDP-UHFFFAOYSA-N 380.416 -0.044 30 20 GBED COC[C@@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC#N)C2 1779556668 CECZLHDKFPSLMW-GPMSIDNRSA-N 394.472 -0.045 30 20 GBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cncc(S(C)(=O)=O)c1)CCO2 1783047871 KTZGOOMYELCYSS-KRWDZBQOSA-N 377.422 -0.438 30 20 GBED C=CC[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1783107588 NRMADKRTEJSOBT-ACJLOTCBSA-N 378.429 -0.420 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786884246 BREAEJOTQQXVAE-GVRJEKJASA-N 396.488 -0.850 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(c3)CCNCC4)C[C@@H]21 1790793945 ORDPNGKVDIPZNL-IEZWGBDMSA-N 382.464 -0.004 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)CCC)C2 1793343979 GRDRXCXVHFJAPQ-RIUYPTKQSA-N 393.484 -0.081 30 20 GBED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2 1793380124 IRWCFWNOMOZDNT-NEBZKDRISA-N 385.486 -0.017 30 20 GBED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CC(=O)NC1=O 1793834109 BRHGKRVYOCIDLC-JFILPPLUSA-N 378.429 -0.660 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC)NC(N)=O 1796321711 ZZUAUBFFBWRZED-AICCOOGYSA-N 396.488 -0.404 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1cncn1)C2 1797710180 RIARZIWWLPGOQQ-JYYAWHABSA-N 391.472 -0.169 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)C(=O)C(=O)O)C2 1800228840 VNTFEVYCDMJURG-YIYPIFLZSA-N 396.444 -0.032 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1830051054 UZLMCKIALIVJLR-GOSISDBHSA-N 389.412 -0.198 30 20 GBED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1831213146 KTPBGDIIBJFJSN-HXUWFJFHSA-N 389.452 -0.521 30 20 GBED N=C(N)SCCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831213226 MPKDISOPYGCODQ-GOSISDBHSA-N 394.497 -0.127 30 20 GBED Cc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834043456 YLMFKEKYTJERNI-LJQANCHMSA-N 387.392 -0.452 30 20 GBED N#CCC(=O)NC1CCN(C2CCN(C(=O)CN3CCOC3=O)CC2)CC1 1834396260 RDOFGQDKTKIJEK-UHFFFAOYSA-N 377.445 -0.076 30 20 GBED CCn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)n1 1834408505 CATLDNGEDGPDJT-SFHVURJKSA-N 390.396 -0.939 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834848648 YQLLXKPSOJSOAY-BEFAXECRSA-N 396.440 -0.566 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)C4CC4)C3)C2)c1 1838733156 PUUIYEOAXOXABV-IBGZPJMESA-N 386.408 -0.065 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1839840265 BXRHZJKMAGCCFT-RHSMWYFYSA-N 388.486 -0.300 30 20 GBED C[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840025083 WCJNSEBQDJHPIC-BQUHMRARSA-N 382.461 -0.705 30 20 GBED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196668 BNLXOFUWILQFCH-ZDUSSCGKSA-N 384.392 -0.509 30 20 GBED CCOC(=O)c1cnn(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1C#N 272448949 VQGORNPUOROYIE-UHFFFAOYSA-N 385.384 -0.231 30 20 GBED CS(=O)(=O)N1CC[C@H](C/N=C(/O)NC[C@H]2CCCN2S(C)(=O)=O)C1 328780628 HBBLSYBJYRONTQ-VXGBXAGGSA-N 382.508 -0.805 30 20 GBED Cn1cc([C@H]2CS(=O)(=O)CCN2CC(=O)N/C(O)=N/CC(F)(F)F)cn1 331163173 FYSMYNJMFUKUJY-SNVBAGLBSA-N 397.379 -0.216 30 20 GBED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 349472970 XUHWNTSKIRVJPY-RRFJBIMHSA-N 392.547 -0.190 30 20 GBED C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N 349476816 PXTDQMLNBORREL-GFCCVEGCSA-N 394.519 -0.567 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cccc(C#N)n2)C[C@H]1O 349523083 LGEUTSCMYGMAQA-DGCLKSJQSA-N 388.471 -0.273 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 349610461 JUVSLGSCRFNJHY-SOAFEQHCSA-N 391.515 -0.371 30 20 GBED CNC(=O)NC1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 374923473 AYADAZWCAWSFBU-UHFFFAOYSA-N 385.359 -0.039 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 376365215 MEHDBPABUQBAQZ-NSHDSACASA-N 389.478 -0.223 30 20 GBED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N(C)C)CC1 548939398 DNPHNTSHBQEACG-GFCCVEGCSA-N 385.494 -0.122 30 20 GBED N#Cc1ncn(CC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)n1 557459217 FYRSCUSHWACOLB-CYBMUJFWSA-N 390.425 -0.066 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC2(C(N)=O)CCOCC2)c1 564407876 UUMNBLFHTQDENS-UHFFFAOYSA-N 380.426 -0.765 30 20 GBED COC[C@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)C#N)cc1 567915289 NDDCEHGNUGQIGF-NWDGAFQWSA-N 391.471 -0.495 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCn4ncnc4C3)C2=O)cc1 570357760 CBFXVRMIEWKWMH-HNNXBMFYSA-N 393.407 -0.196 30 20 GBED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)N3CCN([C@H]4CCOC4)CC3)C2)nc1 595206386 YBIDOKQPYOLGSO-IRXDYDNUSA-N 399.451 -0.134 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)c1 617871156 DWPFGNVADNWOFZ-KGLIPLIRSA-N 388.467 -0.307 30 20 GBED N#CCN(CC(=O)O)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 739079171 SNOLHTLOIHAQJB-UHFFFAOYSA-N 385.373 -0.103 30 20 GBED COCCNC(=O)[C@H](C#N)C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 741431941 VITAEFHUCZKILR-GFCCVEGCSA-N 382.417 -0.463 30 20 GBED C#CCOc1ccc(NC(=O)C(=O)N2CCC(NS(=O)(=O)NC)CC2)cc1 839662769 FLOVGLXZDDLXIQ-UHFFFAOYSA-N 394.453 -0.318 30 20 GBED CC1(C)OCC(NS(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)CO1 848965156 JYEMUAUNXOONFH-UHFFFAOYSA-N 381.476 -0.577 30 20 GBED CN(C(=O)C(=O)N1CCN(CCC#N)CC1)[C@H]1CCN(CC(F)(F)F)C1=O 867474814 ZRFFFKCDIMYNNG-LBPRGKRZSA-N 389.378 -0.334 30 20 GBED C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C1 890520060 WLZUSEBMTPTCKG-UHFFFAOYSA-N 393.465 -0.406 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1O 1023916408 WXLVLERDZYVXCW-HWMZRRJGSA-N 377.445 -0.273 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn(CCOC)n2)C1 1024887797 RYZMWSIUBKCRRA-DZUCGIPZSA-N 392.456 -0.188 30 20 GBED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1117865269 INNCDUSMURKMGX-HNNXBMFYSA-N 383.452 -0.108 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCC(=O)NCCC)C1 1130009497 RVECWHMMEZVIJO-WCVJEAGWSA-N 376.461 -0.263 30 20 GBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1 1219829739 CJQXEBLDCZTEGI-UKBAYJJMSA-N 389.452 -0.393 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H]2CC(=O)OCC)c1=O 1320460429 GUJCOPPRYQVWCD-AWEZNQCLSA-N 378.429 -0.081 30 20 GBED CC1CCN([C@@H](C)CNC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1321914698 ZKFXIKYYQBDQQR-HYEKCJMVSA-N 391.472 -0.134 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2C[C@@H](CO)C[C@H](OCCOC)C2)CC1 1322801997 DFVQHWAWVDOHGB-RDJZCZTQSA-N 383.489 -0.375 30 20 GBED COC(=O)[C@@]1(C)CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1324578802 UXAHBZUTDZBQLB-UJGDBWEASA-N 378.385 -0.959 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)CCO1 1325325313 DJFQUIVCELDWSJ-GWCFXTLKSA-N 378.335 -0.063 30 20 GBED CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1325618403 HDGRUMUQPOKGHO-KBPBESRZSA-N 396.444 -0.120 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)nn1 1325965568 TZTNVFBDZSQREN-JKSUJKDBSA-N 376.461 -0.160 30 20 GBED Cn1cccc1C(=O)N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1335585634 SMIXQMYGJNITDG-MRXNPFEDSA-N 398.467 -0.492 30 20 GBED C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCN(C(=O)N3CCOCC3)CC2)C1 1348131666 YRFPETSGTZJFFF-SFHVURJKSA-N 377.445 -0.265 30 20 GBED CN(C[C@@H]1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1)S(C)(=O)=O 1449332701 RCUILIWJOXQCED-LBPRGKRZSA-N 397.457 -0.659 30 20 GBED N#Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[nH]n4)cn3)C[C@@H]2O)[nH]1 1581868041 FSRAAAQXSXJJIC-JSGCOSHPSA-N 379.384 -0.169 30 20 GBED N#Cc1cnc(N2CCOC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)cn1 1581878149 XNJBBUNLAZPMAG-LBPRGKRZSA-N 380.372 -0.508 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCNc1ccc(-c2nn[nH]n2)cn1)[C@@H]1CCCO1 1588328011 WWIHQAQNJYCBEV-STQMWFEESA-N 384.400 -0.913 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2O)cn1 1588370174 REGGJLJQTSGNQH-CABCVRRESA-N 392.379 -0.814 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C1 1588404239 GJLVFMYXTYRAQW-GXTWGEPZSA-N 385.432 -0.178 30 20 GBED C=CCn1cc(C(=O)N(C)C2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 1588711640 UZCOMQWYCZMXGX-UHFFFAOYSA-N 382.388 -0.431 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[nH]n3)nn2)nn1 1588713919 ZAJAGGBIBDCOJK-OSMZGAPFSA-N 393.415 -0.026 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C[C@H]1CCCO1)C(=O)O 1601326727 UBDRRPFVSBKJJR-ZYHUDNBSSA-N 381.410 -0.136 30 20 GBED C#CC[C@H](NC(=O)c1cccc(C(=O)N[C@H](CC#C)C(=O)OC)c1N)C(=O)O 1602692965 AEDUAOKLIOWGJP-UONOGXRCSA-N 385.376 -0.230 30 20 GBED N#Cc1cnccc1N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](O)C1 1606389499 PFJQVRAWIMPYJU-IAQYHMDHSA-N 379.384 -0.169 30 20 GBED C#C[C@@H]1COCCN1C(=O)C(=O)N1CC[C@@H](Oc2ccc(-c3nn[nH]n3)cn2)C1 1609020132 SBZIQFJILWITOW-ZIAGYGMSSA-N 397.395 -0.898 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](O)[C@@H]3C(=O)O)CC2)o1 1610551689 RQMNEDMMXUYQON-UKRRQHHQSA-N 377.401 -0.587 30 20 GBED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1777867765 UOBMCSSLBFNFEL-HXUWFJFHSA-N 382.420 -0.046 30 20 GBED COCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780333075 RPAJSEUIMYZYKO-SFHVURJKSA-N 376.413 -0.007 30 20 GBED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCNC4=N)C[C@@H]32)C1 1783461406 SYUGWCGRSAUJIV-BPUTZDHNSA-N 375.473 -0.228 30 20 GBED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1793349373 NCXPQICXJXJRMO-JLVBRIDZSA-N 393.488 -0.601 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN(C)C(C)=O 1793744441 WZLGNLAVAVIPTA-NYCLONFESA-N 379.457 -0.517 30 20 GBED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1800454088 WMNSDAWLCRLJPB-YWVIFJGQSA-N 397.391 -0.485 30 20 GBED NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1800518175 LQOJATCHGAZITQ-VPIUVWKISA-N 396.444 -0.630 30 20 GBED N#CCC(=O)N1CC[C@@H](CNC(=O)CN2CC(=O)NC2=O)[C@H]1c1cccnc1 1804185829 KJYRXIJOHLSHPT-SUMWQHHRSA-N 384.396 -0.447 30 20 GBED CC(C)(NCCC#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(O)O)[nH]n1 1817316864 KOZAMWGMOQUAIM-LBPRGKRZSA-N 378.433 -0.006 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CNC(=O)O1)CC2 1825661653 ZCCYBILEYHKBBT-CBAPKCEASA-N 378.366 -0.749 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC(O)C3)CCO2)C1 1830576048 QZZDDBRSKRDPHD-QAVIERHMSA-N 382.457 -0.195 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)NC)C2)C1 1832447497 ZEJQLUISYZYWMN-KRWDZBQOSA-N 385.486 -0.502 30 20 GBED CS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)CCC#N)CC2)CC1 1834569076 HQPHUCJQADHBBF-UHFFFAOYSA-N 384.502 -0.094 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1834761137 QVCCLPQWTRBQLJ-GOSISDBHSA-N 384.396 -0.287 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835426604 GLXRTZDSSNCJMU-RDTXWAMCSA-N 383.445 -0.878 30 20 GBED CC[S@@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1837237936 BDZMWGLSCFZHGI-MRDQGFSESA-N 385.486 -0.095 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)CC)C2)C1 1837402253 AFEVWDYWMYLMFY-HNAYVOBHSA-N 382.457 -0.005 30 20 GBED CC(C)O[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1837603255 GNZUUVAPQCSHEX-KSSFIOAISA-N 382.413 -0.656 30 20 GBED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1 1839889944 XTMNYTYRIQULHP-CZUORRHYSA-N 389.399 -0.211 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSCC(=O)O)CCO2 1840194546 TUAWDDDCEPRDQA-QGZVFWFLSA-N 384.454 -0.326 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840449408 LFVQFHJYECVQIJ-BBRMVZONSA-N 383.474 -0.557 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC[C@@H]1CCOC1)CCO2 1840590024 AUAHDYQCPSIIGB-BEFAXECRSA-N 394.424 -0.653 30 20 GBED O=C(CN1C(=O)CNC1=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844258370 SRGBGWPCGVDLBC-KEBDBYFISA-N 390.444 -0.787 30 20 GBED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCN(C(C)=O)CC1 1847810554 UTAUBJVKTWYFBE-NJAFHUGGSA-N 392.500 -0.057 30 20 GBED CN(C)C(=O)CN/C(=N/C1CCOCC1)N1CC[C@H](NC(=O)NC2CC2)C1 262293118 LRDPMIXCFPGBDA-HNNXBMFYSA-N 380.493 -0.265 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3(NC(N)=O)CC3)CC2)cc1 270935233 LMIXNXUIXLQYHT-UHFFFAOYSA-N 377.426 -0.408 30 20 GBED COCCNS(=O)(=O)c1cccc(C(=O)NCCn2cnc(C#N)n2)c1 286121107 GSSNQUXXDAGNME-UHFFFAOYSA-N 378.414 -0.496 30 20 GBED CC/N=C(/O)N1CC[C@@H](NS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C1 330046124 GSTGGTJXVDHRKR-CYBMUJFWSA-N 396.535 -0.414 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@H]1C 373718659 IVLRUDMJSQTSKF-IUODEOHRSA-N 396.407 0.404 30 20 GBED CCN(CCC#N)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 409473319 CSWFIAHXTSNFQU-OAHLLOKOSA-N 395.485 -0.341 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCN(C)CC[C@@H]3C)CC2)c1C#N 410477856 WKMUONGHDUXXCS-AWEZNQCLSA-N 387.488 -0.199 30 20 GBED COC(=O)[C@@H]1CNC(=O)CN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 447922408 OWSYUBWCPZYJLL-AWEZNQCLSA-N 382.380 -0.344 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCN(C(C)C)C1=O 460595017 CZJMTHIVUPQMJE-AWEZNQCLSA-N 395.423 0.511 30 20 GBED C[C@@H]1CC(=O)C[C@H](C(=O)N2CCO[C@H](C#N)C2)[C@H]1C(=O)N1CCO[C@@H](C#N)C1 468309358 CDFDDMRHSGWHAD-ZUOZUFPHSA-N 388.424 -0.280 30 20 GBED Cc1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1S(=O)(=O)NCC#N 489541423 ZKYSUWSRMRISKM-LBPRGKRZSA-N 391.409 -0.827 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 538591080 XAPSZFIRBWILHH-UHFFFAOYSA-N 380.426 -0.417 30 20 GBED CCN1CCC(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 550409902 FSZWARZDFCQGSJ-UHFFFAOYSA-N 387.488 -0.151 30 20 GBED CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CC(CC(N)=O)C2)c1 566488877 QEQRJFBSSFNBTA-UHFFFAOYSA-N 386.455 -0.673 30 20 GBED C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 595168756 DCGVSZDXDGAQBQ-QWHCGFSZSA-N 380.470 -0.141 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 599939320 VNGHBOVDOJQGPO-NUEKZKHPSA-N 392.481 -0.107 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c(F)c1 610082899 QDCKFMFRIQAQIL-UHFFFAOYSA-N 380.401 -0.191 30 20 GBED C[C@@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCS1(=O)=O 760787842 HGRLFRPONHKYML-LLVKDONJSA-N 385.467 -0.239 30 20 GBED C#CCC[C@H](O)CNC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 798411794 AYDQHRDWRXHRGV-HNNXBMFYSA-N 383.470 -0.127 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCOc3cccnc3)CC2)c1C#N 804077363 UCPKHLADHPNBNA-UHFFFAOYSA-N 397.439 -0.161 30 20 GBED N#CCNC(=O)CNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 804821508 PNARIVBYLFYPGM-UHFFFAOYSA-N 389.437 -0.397 30 20 GBED O=C(N[C@H]1CCCN(O)C1=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 816754510 GKCQGMBMJKBCNJ-AWEZNQCLSA-N 382.442 -0.021 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)c1 820370760 BCSBXWJQMKQQAR-PBHICJAKSA-N 378.498 -0.038 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 875595305 ADQROJLRSHIEJH-LSDHHAIUSA-N 378.473 -0.658 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)NCC(=O)OC)c1 927568508 AMDGDLSRFSVQCQ-NSHDSACASA-N 382.394 -0.567 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cn2ccc(O)nc2=O)[C@H](C)C1 949470448 YQBRMQVQUVQFAJ-OEUWWYETSA-N 390.440 -0.107 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H]1CC 985232381 APTVWHDVMDMDMS-TWMKSMIVSA-N 392.500 -0.105 30 20 GBED C=CCCO[C@H](C)C(=O)NCC1(O)CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1041874095 OQUJDNYULVHYMF-FXUDXRNXSA-N 382.457 -0.291 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@]2(C)C1 1101364417 SSIRMUDYJHWFCH-CUYVQJCZSA-N 375.473 -0.350 30 20 GBED C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)CN1C(=O)CCC1=O 1111487132 ANXAGBFHDFMDDY-QXSJWSMHSA-N 379.457 -0.190 30 20 GBED CS(=O)(=O)N1CCN(c2ccc(NC(=O)N3CC(O)(CC#N)C3)cn2)CC1 1118613273 CPMTWUBMYYGOQX-UHFFFAOYSA-N 394.457 -0.345 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)C1 1194887203 OJSKBBNPRJMJLH-AALSBFMBSA-N 378.473 -0.014 30 20 GBED CC(C)CN1CC[C@@H](CNC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1323419666 IUIZZDGSFHQCLJ-HYEKCJMVSA-N 391.472 -0.277 30 20 GBED N#C[C@@]1(F)CCN(C(=O)C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)C1 1325111028 KADMJOXFIRWXBH-BEFAXECRSA-N 387.415 -0.179 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCOc1ncccc1Cl 1347096096 ORIBLDWBYFWKCD-UHFFFAOYSA-N 375.834 -0.053 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc(NC(C)=O)cc2)CC1 1348996057 DTCFBABGUDUVND-UHFFFAOYSA-N 378.454 -0.201 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 1349082663 JGKMBJPWLWQZCJ-BMFZPTHFSA-N 379.457 -0.020 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCc1ccc(OCC#N)cc1 1350726107 HRQFSHYIIURESX-KGLIPLIRSA-N 381.410 -0.867 30 20 GBED N#CCCN1CCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 1477921194 QJSYFPONILMYJE-OAHLLOKOSA-N 387.506 -0.284 30 20 GBED CNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1517428641 VROGZPDOPFELGF-GFCCVEGCSA-N 377.449 -0.083 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 1573300769 UIGLSAXDVQTKQH-ZDUSSCGKSA-N 385.432 -0.224 30 20 GBED CCOC(=O)CNC(=O)C1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1578245544 VZZNFBOGIUTDLB-UHFFFAOYSA-N 385.388 -0.576 30 20 GBED C#CCN1CCN(C(=O)CN2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 1588350988 BYQLMKGOYCOAMU-UHFFFAOYSA-N 394.483 -0.234 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1591362346 UKJHHQIVIFMLSA-MGPQQGTHSA-N 390.425 -0.523 30 20 GBED N#CCSCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1592679326 MVLIDMAQMFPPJT-LLVKDONJSA-N 390.429 -0.591 30 20 GBED O=C(C#CC1CC1)N1CCC(N(CCO)c2cnc(-c3nn[nH]n3)cn2)CC1 1592767014 YWWQVLJJMYMWGW-UHFFFAOYSA-N 382.428 -0.140 30 20 GBED C#C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)O)CC1 1602671274 PUARGTSHOGGPRI-ZDUSSCGKSA-N 380.422 -0.104 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 1609492889 CUPDPUAOQGWODT-ZIAGYGMSSA-N 389.441 -0.172 30 20 GBED CNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1748090104 QYYYBJJGTTUOIU-CYBMUJFWSA-N 389.460 -0.099 30 20 GBED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)C(F)(F)F 1781048464 QFCKDSYZTVDTJD-HUBLWGQQSA-N 377.363 -0.342 30 20 GBED C[C@H](Oc1cccnc1)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1784548544 USXUMHNBEUBXPM-LIRRHRJNSA-N 387.392 -0.233 30 20 GBED N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)c1ccccn1 1786874920 TTZPCAARTIMPSN-BWQRHGBYSA-N 386.408 -0.851 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)NC1 1792581640 XINGBLCZAWZORC-LFYQSXPISA-N 393.484 -0.325 30 20 GBED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)C=CC1=O 1793619964 CNCBMEGLHBXVQO-YVWYUNDQSA-N 387.436 -0.305 30 20 GBED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1800996185 RNDKTNSISSUWPO-GTYSZEQSSA-N 380.441 -0.005 30 20 GBED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(N)=O)C2)C1 1831414439 WCXFJIZLZPQIPV-SFHVURJKSA-N 398.460 -0.906 30 20 GBED CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835355121 UQUOXSIKLJTIMK-SFHVURJKSA-N 380.445 -0.339 30 20 GBED COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)CC#N)CC2)CC1 1835842578 DSTPCIZZTXZLTI-QGZVFWFLSA-N 393.488 -0.377 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CNC(N)=O)CC2)CC1 1836859896 JTJWPQSMZJNPBE-CQSZACIVSA-N 394.472 -0.308 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cccn3)nc1)CCO2 1838120484 ZABCVGCVYONQAE-HXUWFJFHSA-N 395.419 -0.030 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1839806958 JBNQMBKAXIFFII-KRWDZBQOSA-N 378.360 -0.514 30 20 GBED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC=O)C2)C1)C(F)(F)F 1839893985 CBUAYGMUKDLCBB-IUODEOHRSA-N 393.362 -0.304 30 20 GBED NC(=O)CC[C@H](N)C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1842880455 OTUYNPSHHWJGFF-FVUPAENESA-N 378.477 -0.746 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2 1844235570 MJYOFJZIRREYBN-GFCCVEGCSA-N 378.429 -0.685 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CCN2C(=O)c3ccccc3C2=O)C1=O 269986356 JUJMEUQSXAWHCQ-UHFFFAOYSA-N 398.375 -0.282 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)C1=O 283743012 XXTAIQOCMPLFEO-OCCSQVGLSA-N 379.413 -0.353 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1=O 289161428 PZUJNFSKVSJIHC-OAHLLOKOSA-N 379.505 -0.626 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCn2cnnc2[C@@H]1C 349453807 FRWDWPLZQBBCCM-RYUDHWBXSA-N 390.491 -0.452 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)c1C#N 349472205 FSTADBCMFADFLJ-UHFFFAOYSA-N 386.459 -0.103 30 20 GBED CC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)Nc2cc(C#N)ccn2)C1 349617689 MVTXLUPCWJVTTO-UHFFFAOYSA-N 388.471 -0.128 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1 369342811 KLJODFHXVSUNKC-SFHVURJKSA-N 385.468 -0.189 30 20 GBED CCCNC(=O)CN1CCC(NS(=O)(=O)N(CCC#N)CCOC)CC1 409600561 VPIGAOWJWHTETF-UHFFFAOYSA-N 389.522 -0.327 30 20 GBED N#Cc1cccnc1N1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)CC1 410746590 JKPFKRODSNRKBD-ZOFXXKQRSA-N 381.436 -0.170 30 20 GBED CCC[C@@H](O)[C@@H](CO)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 411781116 IRNYIRXPMQRQEI-UKRRQHHQSA-N 389.387 0.460 30 20 GBED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 437720741 NHACLBRQOKBPBB-ZIAGYGMSSA-N 390.444 0.125 30 20 GBED C=CCOC[C@H](NS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C)C(=O)OC 481595268 SZTWQMYRJZMRLC-NSHDSACASA-N 398.397 -0.943 30 20 GBED CCn1nccc1N1CCC[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1=O 499490082 BWBJRDGXPZOFRD-CHWSQXEVSA-N 382.446 -0.543 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCNC(=O)c1cc[nH]n1 507883380 YIWHSTWBUKXTOJ-LLVKDONJSA-N 390.425 -0.506 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCc4c[nH]nc4C3)CC2)nc1 558372194 LMHHBWPNMZZQHF-HNNXBMFYSA-N 379.424 -0.001 30 20 GBED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(=O)OC)C1 567254034 YKOUGALROIOYCZ-VXGBXAGGSA-N 387.462 -0.157 30 20 GBED CN(CCOCCO)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 568650921 CGUURBFRRLQJSW-UHFFFAOYSA-N 377.444 -0.882 30 20 GBED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCN2CCCC2=O)n1 573331159 NVIFCFLVXIWDJQ-UHFFFAOYSA-N 384.371 0.560 30 20 GBED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)N1CCOCC1 577445420 XQGKAEROZMNAAO-LBPRGKRZSA-N 386.478 -0.631 30 20 GBED CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C[C@@H]1C 594636996 LEMUVEMQNPMFOW-QWHCGFSZSA-N 394.519 -0.520 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 598025899 CXZWTTHZDVWTFJ-ZIAGYGMSSA-N 386.451 -0.599 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(S(C)(=O)=O)CCCCC2)C1=O 618483647 UTOBXWRADLVNGK-UHFFFAOYSA-N 385.442 -0.173 30 20 GBED C#CCNC(=O)CN1CCN(CCC(=O)Nc2sccc2C(N)=O)CC1 728572369 BBOJDZBQPGMCDA-UHFFFAOYSA-N 377.470 -0.457 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccc(-n2cnnn2)cc1 735080547 JAHHJWDWZGTYKJ-CCEZHUSRSA-N 389.397 -0.533 30 20 GBED C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCNc1ncccc1C#N 787777303 LJGVXHPEHHARSE-CQSZACIVSA-N 388.472 -0.215 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](C)OC3(CCOCC3)C2)c1=O 790386110 IHOXLIRARGUXSS-HNNXBMFYSA-N 392.456 -0.229 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)c1cnn(C)n1 792034600 LJOXEIQASJMODW-SNVBAGLBSA-N 377.382 -0.220 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 800109629 ZWPAFGIDPRARQE-RWMBFGLXSA-N 385.446 -0.196 30 20 GBED C=C(Br)CNC(=O)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O 807769127 SHUVHZVWEMXILC-JTQLQIEISA-N 384.234 -0.025 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn3cccc(OC)c23)CC1 828749717 JPDLDYMKLRCFEH-UHFFFAOYSA-N 377.426 -0.432 30 20 GBED Cn1c(N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c(C#N)c(=O)n(C)c1=O 848717726 VMDXZIKLGMBEJV-NXEZZACHSA-N 385.346 -0.197 30 20 GBED CNC(=O)Cn1cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 918353510 PXDFZMMULUKYIF-UHFFFAOYSA-N 390.425 -0.304 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nnnc2C(C)C)C[C@@H]1O 964503269 JYWIYBVTHIYOON-FQLMCAECSA-N 392.460 -0.534 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc3c(cn2)OCCO3)C1 967291756 MGEUJIHBYPJJJX-RZFFKMDDSA-N 389.408 -0.255 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1OCC 982938363 NHZRVVZKDUTYOM-LVQVYYBASA-N 392.460 -0.366 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2nonc2C)C[C@H]1O 1023915733 FESIDKQLVSAIFG-CRNXPOROSA-N 378.429 -0.020 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(O)nc3n2)C1 1024765942 GMPHWZUDZIAKAX-JHEVNIALSA-N 388.380 -0.179 30 20 GBED C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)CC1 1025041543 FUCXTTRLMGNWJI-MKXGPGLRSA-N 389.496 -0.165 30 20 GBED C=CCN1CC[C@H](N2C[C@H]3[C@H](NC(=O)[C@@H]4OC[C@@H]5COCC[C@@H]54)[C@H]3C2)C1=O 1025919960 FYKWDPLPMVGJDC-DPHFHPJJSA-N 375.469 -0.129 30 20 GBED CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1042979797 RHTJODTWXBPZNU-APIJFGDWSA-N 388.428 -0.696 30 20 GBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)cn1 1044767697 HKALZDKHEPFDNA-RQJABVFESA-N 386.330 -0.035 30 20 GBED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CCc2nnc(O)nc2O)n1 1092927321 XLCDQUFJEAPILX-USWWRNFRSA-N 382.384 -0.197 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@H]1CCNC1=O 1110657877 COCFLJATRJZOGP-SYQHCUMBSA-N 377.445 -0.754 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1cccc(C(=O)NCC)c1 1117064513 JUUIDDOOXZADLM-UHFFFAOYSA-N 381.454 -0.231 30 20 GBED C#CC[C@@H](CC)c1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1C 1121327538 IJWUXVVPWLWIAK-CYBMUJFWSA-N 386.460 -0.201 30 20 GBED CN1CC[C@@](O)(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1254877603 ZBBPVCMXZRIIKK-DNVCBOLYSA-N 385.424 -0.054 30 20 GBED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)NC(C)C 1314404380 LMYFGLPMSXVFMW-CYBMUJFWSA-N 386.478 -0.129 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCCC(=O)NC3CC3)CC2)nc1 1325711322 RXSLLONYHZYPRT-UHFFFAOYSA-N 384.440 -0.223 30 20 GBED COC(=O)N1CC(NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 1327456832 XGCMUYYOKAEXDL-UHFFFAOYSA-N 386.412 -0.395 30 20 GBED Nc1nsc(N2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)n1 1332397430 QWPIUIUNOLTUFD-OUKQBFOZSA-N 377.430 -0.315 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1342099739 PUANZMFKWIGHNY-STHFOBCHSA-N 376.413 -0.274 30 20 GBED C[C@H](Sc1nnnn1C1CC1)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1342562144 XDFGRSJDQKWZGG-GXSJLCMTSA-N 398.470 -0.546 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)N(C)CC(C)(C)C#N)CC1 1351849550 UJMLBFOWWDIVHM-UHFFFAOYSA-N 387.506 -0.275 30 20 GBED Cn1nc(C(=O)N2CCN(CCOC(=O)c3cccc(C#N)n3)CC2)ccc1=O 1515159001 VZINVHYMGPEIDM-UHFFFAOYSA-N 396.407 -0.338 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N(Cc1cnn[nH]1)C1CCN(C(=O)C(N)=O)CC1 1575111262 ARHZOZDMAGRDDJ-KGLIPLIRSA-N 376.417 -0.799 30 20 GBED N#CCSCC(=O)NCC1(O)CN(C(=O)c2ccc(-c3cnn[nH]3)nc2)C1 1577709896 HBOUSNPQNAXBFX-UHFFFAOYSA-N 387.425 -0.573 30 20 GBED CN[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1578585511 YHVGCPIXGCZYDE-BFHYXJOUSA-N 399.521 -0.185 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 1581855526 DVGKCXDGBRDSMF-OCCSQVGLSA-N 389.441 -0.314 30 20 GBED N#CCNC(=O)CNC[C@]12CCC[C@H]1CN(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 1581858296 YZEKGGHFPKDZJO-UGSOOPFHSA-N 397.443 -0.334 30 20 GBED C#CCNC(=O)[C@H](C)N1CCC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 1588353460 SZHITAJDZIXGQG-GXTWGEPZSA-N 384.444 -0.083 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(-c3nn[nH]n3)ccc2F)CC1 1588354379 LOWAYBCCDUKRDV-UHFFFAOYSA-N 385.403 -0.097 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[nH]n2)C[C@H]1O 1588507881 LSLDYHWKUZRGMW-WGZSSWNPSA-N 399.864 -0.031 30 20 GBED Cn1cc(-c2nn[nH]n2)c(=O)n(CC(=O)Nc2cc(Cl)ccc2C#N)c1=O 1592558184 SCMQVTSVORTJFF-UHFFFAOYSA-N 386.759 -0.109 30 20 GBED N#C[C@H]1CC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)C1 1606354171 BFAOLIXIFACAST-CMPLNLGQSA-N 375.414 -0.047 30 20 GBED N#Cc1cn(CCC(=O)NC[C@@]2(N3CCOCC3)CCSC2)c(=O)nc1O 1625586962 ZPAJAGHJDIBHGX-KRWDZBQOSA-N 393.469 -0.465 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1781268242 JVFXWPUHJMTQJG-SFHVURJKSA-N 391.428 -0.383 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782659099 LVTIUEFWFHJGDU-KXBFYZLASA-N 390.440 -0.336 30 20 GBED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782751910 CPMMZSZNZIJNOB-GOSISDBHSA-N 379.413 -0.837 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(Cl)cnc1O)CCO2 1783556027 NDXNITHZGPNDJV-QGZVFWFLSA-N 393.783 -0.028 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784112491 PJYYDNLCFLENGS-KUHUBIRLSA-N 391.424 -0.668 30 20 GBED CN1CCC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1789745229 QHCFEMVGEUDPPZ-UGUYLWEFSA-N 377.441 -0.604 30 20 GBED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N3CCN(C)CC3)[C@H]2C1 1789801624 PGUOABMNTHAIIO-XAJHFOFHSA-N 398.573 -0.080 30 20 GBED C[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1791048777 COOHNUMDLIKYGG-ZDKJJRPJSA-N 383.445 -0.124 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1 1796354500 ZXTANGIJOGBPPA-MCYUEQNJSA-N 392.412 -0.318 30 20 GBED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1ncon1 1798351144 DCYHHIJZJLJGSH-BHULBIQDSA-N 376.417 -0.256 30 20 GBED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)C(=O)O 1800262882 DLNCOUFZHBVWFN-XPCVCDNBSA-N 381.429 -0.669 30 20 GBED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)C=CC1=O)C2 1800547321 LGIQXBUQQCUWJO-DRXBFXEBSA-N 397.378 -0.288 30 20 GBED C#CC(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1807358387 FNMHIVMJOKEBFF-DYVFJYSZSA-N 391.391 -0.235 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)c1 1808268248 VPGWKKTYIZIEBO-ZOBUZTSGSA-N 381.440 -0.113 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1812876263 GKKVEGSAUOCVFE-IYOUNJFTSA-N 384.392 -0.546 30 20 GBED Cc1noc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)n1 1830056041 KNTGITRVMMUZBF-SFHVURJKSA-N 391.428 -0.073 30 20 GBED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CC(=O)NC)CCO2)C1)C(F)(F)F 1831279608 NCWRMCPTHBNWEP-OAHLLOKOSA-N 393.362 -0.303 30 20 GBED CC(=O)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)C(C)(C)C 1834755969 PAKKJQDQMBTMBD-LPHOPBHVSA-N 394.472 -0.093 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836419512 LDFNJLLWSFWRSR-APPDUMDISA-N 397.453 -0.119 30 20 GBED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NNC(=O)C1)CCO2 1837366576 HXJOQFJPWUWNJS-LJQANCHMSA-N 390.440 -0.488 30 20 GBED CNC(=S)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1837464240 NHLGVJLMIHWXAY-QGZVFWFLSA-N 397.501 -0.769 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839635941 GIXDSLOHMYAPFH-GHTZIAJQSA-N 396.447 -0.158 30 20 GBED Cn1cc(F)cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042728 LVPDJLZRMICQAG-SFHVURJKSA-N 393.371 -0.678 30 20 GBED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840043428 XXMHAAPWJNFDII-FQEVSTJZSA-N 397.387 -0.284 30 20 GBED CC(C)[C@@H](S)C(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842873160 QXSOYTNYWRTGNI-GFCCVEGCSA-N 379.419 -0.131 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)c1nccnc1C(N)=O)C2 1842920073 IUNKQWHJNAAOLW-UHFFFAOYSA-N 399.455 -0.326 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)cc1 264617091 AXNHOOPDYCCVRQ-ZDUSSCGKSA-N 399.494 -0.261 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCOCCS(C)(=O)=O 266728168 VLBOQNSCZCXRAD-UHFFFAOYSA-N 386.401 -0.046 30 20 GBED CCN(CCOCCO)C(=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 297923913 RUKZOAAYGULRGK-OAHLLOKOSA-N 376.413 -0.210 30 20 GBED CS(=O)(=O)N1CCC[C@H](/N=C(/O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1 329843164 XFYYMESWBIJVID-SIJPQNPESA-N 399.469 -0.081 30 20 GBED CO[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N[C@@]2(C#N)CC2(C)C)C[C@H]1O 349457238 DZJHTYYNLSVTFS-YRGRVCCFSA-N 395.503 -0.991 30 20 GBED COC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 349463519 ZBKRMFJYOLPHCO-VXGBXAGGSA-N 389.455 -0.741 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCCCNC1=O 349611824 HVBSBFOJXFRARN-NWDGAFQWSA-N 380.492 -0.862 30 20 GBED C=CCNc1ncc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)s1 370741582 MTWFMAUNPYYADN-NEPJUHHUSA-N 386.499 -0.031 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 418827690 LXKYVXBFCUIXNX-ZOBUZTSGSA-N 378.473 -0.493 30 20 GBED C=C(C)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 435424515 WBKSACQXRRUHRW-UHFFFAOYSA-N 377.444 -0.409 30 20 GBED Cn1ncc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C#N 475173791 JJCRBLSMLNFNJP-UHFFFAOYSA-N 378.370 -0.092 30 20 GBED C[C@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 555032765 HXXGQQXUWWLGGD-NSHDSACASA-N 388.409 -0.277 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCCNC(C)=O)cc1 565961697 MZYIIUPZPPTAIV-LBPRGKRZSA-N 388.471 -0.319 30 20 GBED CS(=O)(=O)NCCc1ccc(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)cc1 574203028 VMZTXRBKFSAUFZ-UHFFFAOYSA-N 376.394 -0.617 30 20 GBED COc1cc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)ccc1S(=O)(=O)N(C)C 584828161 NUFFTVJJAGRDRR-GFCCVEGCSA-N 396.425 -0.365 30 20 GBED CN(C)c1cnc(C(=O)NCC#CCNC(=O)c2cnc(N(C)C)cn2)cn1 681340446 JWWQHKNBEUVJMF-UHFFFAOYSA-N 382.428 -0.438 30 20 GBED N#Cc1cccc(OCC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 750646844 LKQANUMLWCPZBQ-HOTGVXAUSA-N 379.438 -0.761 30 20 GBED C#Cc1cccc(NC(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)c1 755206050 WJPVXILAEVBBCW-GFCCVEGCSA-N 389.437 -0.177 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCOC3(CCOCC3)CC2)c1=O 768914184 YVEFGERMFDXENG-UHFFFAOYSA-N 392.456 -0.227 30 20 GBED Cc1nc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)cn1C 787681265 KWAIUJBZPBGRIM-LLVKDONJSA-N 397.457 -0.109 30 20 GBED C#CCCS(=O)(=O)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 810779803 BIXDKJICFXJXSA-KRWDZBQOSA-N 375.406 -0.151 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 828040907 QPRWMIGJNIBBEG-OAHLLOKOSA-N 386.452 -0.021 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N=c1nc(C)[nH]n1C)C(C)C 848963252 NVKRZSYGKSPWRW-GFCCVEGCSA-N 377.492 -0.746 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ccnn1C)[C@H]1CCCO1 848964165 KHKPHHNASBZGQS-CHWSQXEVSA-N 390.487 -0.348 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 919650739 WTOGWNZUIMGAGT-NEPJUHHUSA-N 375.447 -0.008 30 20 GBED N#Cc1ccc(F)cc1CN1C[C@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 1083775241 OPMRBBFDOREMTN-FXUDXRNXSA-N 376.388 -0.608 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCc1cccc(NS(C)(=O)=O)c1)[C@@H]1CCCO1 1117528307 HQDKXMMPGJDZFB-CABCVRRESA-N 379.438 -0.029 30 20 GBED CO[C@@]1(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CCS(=O)(=O)C1 1128139313 ZEWUJSUXWBNRFM-INIZCTEOSA-N 381.458 -0.548 30 20 GBED C[C@H](OC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)N(C)CCC#N 1321601211 NFHHUZSIROGUCB-RWMBFGLXSA-N 385.442 -0.674 30 20 GBED CCNS(=O)(=O)CCNC(=O)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1328698810 DWBZPJFPYIXWEB-UHFFFAOYSA-N 380.426 -0.797 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NCc1ccc2c(c1)COC2 1341202534 KPVDSKSLGCCNED-MSUUIHNZSA-N 384.392 -0.024 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2COCCN2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1574937310 VZHASLKRCFEOTK-JYJNAYRXSA-N 389.504 -0.086 30 20 GBED CC#CCN1CCC(N(Cc2cnn[nH]2)C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 1575122328 FSTLBBLZFFOOIU-HNNXBMFYSA-N 387.444 -0.391 30 20 GBED C[C@H](C#N)C(=O)NCc1cn(C2CN(C(=O)CCOCc3cnn[nH]3)C2)nn1 1575179307 UDHYGADUQDAIHS-LLVKDONJSA-N 387.404 -0.838 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C[C@@H]2O)cn1 1588368716 XGYDRFPEQMDAPH-ZFWWWQNUSA-N 391.395 -0.597 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(N2CC[C@H](NC(=O)CSCC#N)[C@H](O)C2)n1 1591886364 DOIDUDWRCRSDMB-CMPLNLGQSA-N 389.445 -0.722 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](C(=O)O)[C@@H]1CCOC1 1601279612 LSMPIWUSYBDTQJ-YPMHNXCESA-N 395.437 -0.031 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@]1(CO)CCCN(c2ncccc2-c2nn[nH]n2)C1 1602725806 NBVBRDNOAPFTJP-SCLBCKFNSA-N 385.428 -0.253 30 20 GBED C#CCOCCC(=O)N[C@H]1C[C@@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)C12CCC2 1602729262 MEAXDCIOHNMFOP-OLZOCXBDSA-N 382.428 -0.042 30 20 GBED C=CCCOCCNC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1602846745 YAPCBAQZRNCNAK-UHFFFAOYSA-N 380.430 -0.146 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC(OCC(N)=O)CC2)cc1 1630123857 NVZOHBKJHZQJAK-UHFFFAOYSA-N 379.438 -0.034 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)OC)C1 1782391645 QIYXZOVEYCGGNW-SPYBWZPUSA-N 395.456 -0.105 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782659094 LVTIUEFWFHJGDU-BEFAXECRSA-N 390.440 -0.336 30 20 GBED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1783892457 IHEPQWATTDRUDP-QLJPJBMISA-N 380.426 -0.063 30 20 GBED NC(=O)c1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784386188 SUYVNAGTXCSLCK-KKUMJFAQSA-N 397.435 -0.418 30 20 GBED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nc(N)n[nH]3)[C@H]2C1 1788506786 GIOREJFBQSYRHX-BJDJZHNGSA-N 382.490 -0.383 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1791076833 JKKUAQHXCHWCBE-CPXQMSAISA-N 387.392 -0.234 30 20 GBED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cnnn1)C2 1793389335 SQETXUCUGYRNBM-RGDJUOJXSA-N 382.490 -0.222 30 20 GBED CN(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1795184089 KJNXWLPSRJEKAF-HGKCTWBKSA-N 377.485 -0.164 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2cccnc2n1 1797386328 OVRXADAWMSACDS-MPTYRVRUSA-N 397.435 -0.029 30 20 GBED C#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2 1802302107 RNSPAQDOBFXTCN-CLLJXQQHSA-N 383.412 -0.132 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccon3)C2)C1 1831391470 OYPLGMIKCXWBCI-KDOFPFPSSA-N 377.397 -0.217 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1834765688 SOSSVQWDIPXCGI-GOSISDBHSA-N 391.380 -0.213 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835115258 ZKGVEVOOUPLXGI-SCLBCKFNSA-N 378.429 -0.729 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1CCN(C)CC1)CCO2 1835405207 RVWQQBAFOSOAGG-FQEVSTJZSA-N 394.516 -0.344 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1836111225 LQXMZTMGWKDCQC-QGZVFWFLSA-N 391.453 -0.061 30 20 GBED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)nn1 1838346943 AHSDBMZASGFQTO-KRWDZBQOSA-N 375.385 -0.531 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(CO)on4)CCO3)C2)CC1 1838801707 JVBCOWXUPVOSRG-GOSISDBHSA-N 390.396 -0.459 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1839163878 KJDCYHSUUORQBF-YZVOILCLSA-N 397.472 -0.850 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cccc(=O)n1O)C2 1841054133 PJPJQEDRPBYKHT-FPLPWBNLSA-N 386.408 -0.239 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 68329166 BQQSDAXHPWDSSR-LBPRGKRZSA-N 398.261 -0.009 30 20 GBED N/C(=N\CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCCN1CCOCC1 273360407 CNVFSWFHUWQKHO-UHFFFAOYSA-N 399.473 -0.005 30 20 GBED CC(C)N1C[C@H](/N=C(/O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1=O 330243185 JOXUTLICEZUWCX-OAHLLOKOSA-N 381.477 -0.614 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2C[C@@H](O)C[C@@H]2C)c1C#N 349462248 LDXCHNWUUFZQGA-ONGXEEELSA-N 391.475 -0.494 30 20 GBED N#C[C@@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)NCc1ccno1 349610066 BVYKXBFRYWEHFF-LLVKDONJSA-N 394.500 -0.245 30 20 GBED N#CCCn1ccc(NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1 368017607 FQLFNPRTWRGGIO-CQSZACIVSA-N 396.473 0.455 30 20 GBED NS(=O)(=O)[C@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 370937580 VCQBYFJLAXUKSA-JTQLQIEISA-N 386.455 -0.995 30 20 GBED COCCNC(=O)C1(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 458342592 FQFFCJLTMIPKSW-LBPRGKRZSA-N 394.453 -0.364 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 465415867 JILRQKNCYOBTKO-ZDUSSCGKSA-N 393.411 0.134 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(C#N)cc1 498871118 BCZITQUYGJPAEW-CQSZACIVSA-N 381.410 -0.373 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCN1CCN(C)CC1)CC(=O)OC 499746420 DOVUMKUZSKLQGQ-HNNXBMFYSA-N 389.522 -0.565 30 20 GBED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@H]34)CC2)n1 502299497 HBBINGOTRAHDQC-JKSUJKDBSA-N 396.451 -0.129 30 20 GBED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCOCC2)C1 508936840 UIZKLWPPKOUPSG-KGLIPLIRSA-N 384.506 -0.015 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(C#N)cc1F 544837495 UCEKPBGSWQKECQ-ZDUSSCGKSA-N 399.400 -0.234 30 20 GBED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN3C(=O)CC[C@@H]3C2)n1 562905397 RXSMUYOUIYCTQC-GFCCVEGCSA-N 379.380 -0.089 30 20 GBED CCN1CCCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)CC1=O 572725836 OMNDDMRJUMKGHV-UHFFFAOYSA-N 384.440 -0.317 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)CC[C@H]3C2)cc1 574054069 SKRRXJUKTPDZJJ-LBPRGKRZSA-N 398.466 -0.516 30 20 GBED COc1ccc(CNS(=O)(=O)N(C)[C@@H](C)CC#N)cc1S(N)(=O)=O 576021837 IYVBYHKXVNNWSJ-JTQLQIEISA-N 376.460 -0.089 30 20 GBED COc1ccc(N2C[C@@H](NS(=O)(=O)N3CCO[C@@H](C#N)C3)CC2=O)cc1 594823327 UOCLPRNSXWJZOM-WFASDCNBSA-N 380.426 -0.141 30 20 GBED COc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CC(CC#N)C2)nc1 595964708 MBPRNOYFPHYHGM-UHFFFAOYSA-N 389.459 -0.208 30 20 GBED CS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)NCCC#N)CC2)c1 734485738 RERBTEWXKNTVSQ-UHFFFAOYSA-N 378.454 -0.122 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cnn(C)c2)c1=O 758060413 AHUHNQFKKSOOKL-UHFFFAOYSA-N 399.476 -0.678 30 20 GBED C#CCNS(=O)(=O)N1CCN([C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 761038716 SHNPNCGDXNLKNY-CQSZACIVSA-N 380.474 -0.999 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(C#N)c(F)c1 776777042 PRPAOKGBHKWHBE-UHFFFAOYSA-N 379.373 -0.203 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1cc(C(=O)OCC)cc(S(C)(=O)=O)c1 785166043 YQHYYWHXGCPCPF-UHFFFAOYSA-N 396.421 -0.029 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCCS(=O)(=O)CCc2ccccc2)CCO1 800206561 HBYBAPLSNLTMAM-HNNXBMFYSA-N 387.483 -0.297 30 20 GBED C[C@H]1CC(=NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)NO1 824885351 SDCHXFCWKHUIPZ-IUCAKERBSA-N 379.402 -0.228 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC([C@@H](O)C(=O)O)CC1 833523353 MXNXLHOIXSJRHL-XHDPSFHLSA-N 395.437 -0.091 30 20 GBED C#CC[C@@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 837937835 BWKGAXRGYPTZAJ-CYBMUJFWSA-N 383.382 -0.056 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCN(c2ncc[nH]2)CC1)c1cc[nH]n1 847945654 ZISJUBMGPKVKNR-UHFFFAOYSA-N 375.389 -0.235 30 20 GBED O=C(N[C@H]1CCCN(O)C1=O)c1ccc(C(=O)N[C@H]2CCCN(O)C2=O)nc1 848131792 CVOSJHNFBYBQAU-STQMWFEESA-N 391.384 -0.698 30 20 GBED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCC2(C1)OCCO2 848959436 IVXZZOYXAIKMIK-ZDUSSCGKSA-N 395.503 -0.377 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCN(CC3CC3)CC2)CC1 892119974 CMVKKXOQLRRLGF-UHFFFAOYSA-N 383.518 -0.344 30 20 GBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1OC 944044143 NUWVXQQNXDNJCH-LXTVHRRPSA-N 386.408 -0.829 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ccn3nnnc3c2)[C@H](OC)C1 944396617 YEFGNQWPZAAUEJ-APIJFGDWSA-N 386.412 -0.329 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CCn1ccnn1 960292799 NEERHAUZKUETKT-FXUDXRNXSA-N 375.429 -0.303 30 20 GBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3CCN(C)[C@@H]3CC)C2)nn1 964763152 WZUGHFZYMQOAQL-XNISGKROSA-N 376.461 -0.504 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1OCCO[C@H]1C 1109415161 GVMIYMYXNTWGOH-RGHULWKBSA-N 380.445 -0.476 30 20 GBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O 1110051238 UXCXRYFGHKGLKI-RZFFKMDDSA-N 376.461 -0.698 30 20 GBED COCC(=O)NCCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1115836537 MHHOMGMMQUKHJY-UHFFFAOYSA-N 394.453 -0.456 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC(=O)N2CCc3ccccc3C2)C1=O 1117279394 DHLAAZIDPBZVAM-QGZVFWFLSA-N 398.463 -0.067 30 20 GBED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2CC)C[C@@H]1n1ccnn1 1129899693 GXGLKEYONIUPBR-AIANPOQGSA-N 376.461 -0.263 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCCOCC)C[C@H]1OC 1212297669 IRRLQAUGCKKCGS-WCXIOVBPSA-N 383.489 -0.064 30 20 GBED CN1CCC(CNC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)(N2CCOCC2)CC1 1261448492 XOSYJCPNTYGTGO-JKSUJKDBSA-N 377.489 -0.292 30 20 GBED C[C@H](O)CN(C(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1)[C@@H](C)CO 1325083259 LOWRNYWROLISLC-KBPBESRZSA-N 392.431 -0.064 30 20 GBED O=C(NCC#Cc1ccccc1)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 1330972277 COAFRGACAYATJZ-UHFFFAOYSA-N 375.450 -0.209 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](O)CN2CCCC2=O)c1 1332192262 NABCEOLRAOFIKJ-AWEZNQCLSA-N 379.438 -0.689 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCCc1cnn(C)c1 1340117319 JMCVBWLYWYYHMO-CYBMUJFWSA-N 382.428 -0.522 30 20 GBED CS(=O)(=O)Nc1cccc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)c1 1345825879 LPRONQCLQXVMSB-INIZCTEOSA-N 380.426 -0.449 30 20 GBED C#CCN(C(=O)C[C@@H]1CCOC1)C1CCN(CC(=O)NCc2cnn[nH]2)CC1 1574895037 LUDWACMTOSCPKA-HNNXBMFYSA-N 388.472 -0.226 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN([C@@H](C)C(=O)NCc3cnn[nH]3)C2)C1 1575005102 UVIRNEXAMDEIED-GJZGRUSLSA-N 388.472 -0.228 30 20 GBED N#Cc1nc(N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)cnc1-c1nn[nH]n1 1581879744 WLHVIUZJFYETSA-NSHDSACASA-N 389.445 -0.772 30 20 GBED C#C[C@H]1CCCCN1C(=O)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 1588332356 IWWWZKYBUMNRNR-AWEZNQCLSA-N 394.439 -0.075 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588353403 QNCXGOVUWAFHAM-JLUCKKNBSA-N 382.428 -0.332 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)CC1 1588430765 GMFKTFCKPSUYDY-UHFFFAOYSA-N 398.445 -0.680 30 20 GBED C[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C(=O)O)O1 1604356859 RECIYZHFDMDLEE-MJVIPROJSA-N 381.410 -0.074 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)c1 1606357355 NHUPBIISNLASJE-NSHDSACASA-N 380.372 -0.508 30 20 GBED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C[C@H](O)C[C@H]2C(=O)O)CC1 1608173075 AZSILEWCJRSEIV-HZSPNIEDSA-N 378.454 -0.023 30 20 GBED N#Cc1cn(CC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)c(=O)nc1O 1630439840 XYIJYYUXUMBRIY-UHFFFAOYSA-N 383.364 -0.489 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc[n+]([O-])cc1)C2 1782013590 ZCNGPDSMJPEGPY-DNVCBOLYSA-N 387.392 -0.465 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3cncn3c1)CCO2 1783563870 DGXSGELIACQPAD-IBGZPJMESA-N 382.376 -0.134 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 1789392921 RNTYSHKSTODSNM-GVXVVHGQSA-N 390.352 -0.396 30 20 GBED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(N)=O)C[C@@H]21 1789959428 IJKZPMBULBCRMR-RFGFWPKPSA-N 383.449 -0.565 30 20 GBED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)O1 1793415680 WYCCRELBABYIQN-FQLMCAECSA-N 381.429 -0.333 30 20 GBED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N 1795577699 ADVNUXUEVVCSRD-JLVBRIDZSA-N 393.488 -0.601 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ccncc1)C2 1800773529 OEFYRXMCRRRDKA-IVWMJMPLSA-N 389.433 -0.149 30 20 GBED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cnnn1 1801435091 NCULXKKEUFTUPQ-PNBKFKSVSA-N 392.460 -0.194 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CN)sc2C1 1817071058 KAFHQGREIMJPTN-KWBADKCTSA-N 381.502 -0.086 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCOCC4)C3)C2)C1 1829667325 YKOGWYYZHOZKSM-FQEVSTJZSA-N 393.484 -0.259 30 20 GBED COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1833509023 UYNZALPXYODBKM-SJKOYZFVSA-N 396.469 -0.127 30 20 GBED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)N1C[C@H]2C[C@H]2C1 1834761349 ZANLBCNYBLFLKS-OAFZBRQQSA-N 376.457 -0.303 30 20 GBED CCS(=O)(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835352154 PGAQHDBZPYDBAI-INIZCTEOSA-N 387.458 -0.819 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838339927 CNFJEUMQQSFPHS-SUMWQHHRSA-N 381.454 -0.292 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1 1840918628 IOCNKAMXKOTNFF-MRXNPFEDSA-N 386.474 -0.970 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2 1842920534 WVZZZYXQGMGVMT-HNNXBMFYSA-N 393.488 -0.878 30 20 GBED N#Cc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CC(=O)NC2=O)cc1 1847307163 HOFTWZNOCQPKHF-HOTGVXAUSA-N 395.419 -0.146 30 20 GBED C=CCN(C)C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 284158933 NHBVBZOVCRZWGL-UHFFFAOYSA-N 381.454 -0.032 30 20 GBED N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H](CNS(N)(=O)=O)C2)nc1 290192239 FZSBPCZQVQRENX-ZDUSSCGKSA-N 387.487 -0.768 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC)CNS(C)(=O)=O)c1 295472248 AFJSWSQFQRRHCV-ZDUSSCGKSA-N 387.483 -0.344 30 20 GBED C#CCOc1cccc(NC(=O)C(=O)N2CCC(NS(=O)(=O)NC)CC2)c1 298017703 BWLZCVPIDJIHMB-UHFFFAOYSA-N 394.453 -0.318 30 20 GBED CN1CCN(C)[C@H](C/N=C(/O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 329389796 UPLCJHZRHIMNAA-SJORKVTESA-N 381.521 -0.098 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)N[C@]2(C#N)CC2(C)C)CC1 349537703 NIZXDWVSKRQKHG-AWEZNQCLSA-N 378.520 -0.435 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)C1=O 363195176 AGCDMFUUMQWZNA-UHFFFAOYSA-N 399.367 -0.105 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCS(=O)(=O)C[C@@H](C)C3)CC2)o1 373023993 BOXAMLUUHMDVCQ-ZDUSSCGKSA-N 395.485 -0.130 30 20 GBED Cc1nc(C#N)c(C#N)n1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 442902051 QXVUCGISKCKAPF-UHFFFAOYSA-N 390.411 -0.040 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)n1 446528008 SQECKSMMJYSALK-UHFFFAOYSA-N 387.444 0.349 30 20 GBED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N(CCC#N)CCN1CCOCC1 500060388 QDNNTNRPMDGCAT-HNNXBMFYSA-N 388.490 -0.193 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CC(CC(N)=O)C2)cc1 521371347 DDGKWMHXTUPNAU-JTQLQIEISA-N 386.455 -0.627 30 20 GBED N#Cc1ncn(CCNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)n1 552674302 YEGKBHSRSSJTHR-UHFFFAOYSA-N 384.368 -0.087 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN(CCN(C)C)CC2)C1=O 559701630 APPYECUUTKUDIK-INIZCTEOSA-N 379.505 -0.626 30 20 GBED C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 562698094 DVBJJDJLESYGSI-GDBMZVCRSA-N 387.440 -0.400 30 20 GBED CNC(=O)CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)C#N)cc1 566749066 VYJBNKHHFNXLTC-NSHDSACASA-N 388.471 -0.414 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(CC)c2)c(=O)n1CC(N)=O 569009469 XLDRCLMNKLMLHM-UHFFFAOYSA-N 398.488 -0.013 30 20 GBED N#Cc1ccc(S(=O)(=O)CCNCCCN2CCC[C@@H](C(N)=O)C2)nc1 576862898 GIXDZHOOJRETTQ-OAHLLOKOSA-N 379.486 -0.096 30 20 GBED CC(=O)N1CCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)[C@@H](C)C1 578602672 JFWWSSCRVGCZPW-AWEZNQCLSA-N 384.440 -0.319 30 20 GBED N#Cc1cnc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)s1 594638778 VNRQIFJDKAWUTK-UHFFFAOYSA-N 389.484 0.322 30 20 GBED COCCCS(=O)(=O)NCC(=O)N=c1nc(C)[nH]n1-c1ccc(C#N)cc1 598685455 JAPJUUKZYWHRLM-UHFFFAOYSA-N 392.441 -0.236 30 20 GBED CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCN(CCC#N)CC2)CC1 611174506 KOFWCYBQXVCYSU-UHFFFAOYSA-N 378.521 -0.423 30 20 GBED CCN(C[C@H](C)C#N)C(=O)COC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 726641652 NABZENISHIZNED-GFCCVEGCSA-N 399.473 -0.052 30 20 GBED N#CC(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CC(N)=O 727161149 QMNFOLSWQMUWAZ-UHFFFAOYSA-N 388.792 -0.196 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745442747 BBQJHKQRRYCUDM-LSUSWQKBSA-N 393.396 -0.519 30 20 GBED Cn1c(=O)ccn(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1=O 757589062 CHWYXZFSWKHDAO-RYUDHWBXSA-N 377.401 -0.578 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc(C(C)(C)C)no2)CC1 761031768 VVWKSLWOHJSXCA-UHFFFAOYSA-N 383.474 -0.004 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C=C)c2)c(=O)n1CCOC 772277404 IAVOSFBMOQVUSN-UHFFFAOYSA-N 385.449 -0.342 30 20 GBED CNS(=O)(=O)CCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 777124041 XZWDRMVAXJKLQC-NSHDSACASA-N 389.455 -0.292 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 799286313 GTMNEMBUIDMGJG-ZDUSSCGKSA-N 383.426 -0.303 30 20 GBED C#Cc1cccc(CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 817843406 WNEFQIKUHVPKTG-UHFFFAOYSA-N 382.420 -0.767 30 20 GBED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N2CC[C@@H]3CNC[C@@H]32)CC1 817996267 ZLBMXBUJMMSAAZ-HIFRSBDPSA-N 384.440 -0.107 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CN(C)C(=O)c3ccccc32)CC1 831575011 VEMJIGAXQVGKBW-INIZCTEOSA-N 390.465 -0.532 30 20 GBED C#C[C@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)Nc1nc(C)n(C)n1 848969608 USSLAMWFXZGEHM-NSHDSACASA-N 377.492 -0.071 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 850712718 QAMMNHPXZZXVQV-KRWDZBQOSA-N 392.500 -0.360 30 20 GBED COC(=O)C[C@H]1C(=O)NCCN1CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1 917052796 PELRQMQVJLJKKJ-OCCSQVGLSA-N 397.391 -0.125 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@H]21 975264366 XDZILGSJVVJFRI-SYQHCUMBSA-N 376.413 -0.811 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](OCC)[C@H](CNC(=O)c2cnn(C)n2)C1 983336392 XWVPUWQVCLKBHQ-LUYZLQTOSA-N 377.445 -0.001 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2nnc(O)nc2O)[C@H]1C 989115164 YFSHHARLPRFBKR-WYUUTHIRSA-N 377.401 -0.017 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2cncc(C(=O)N(C)C)n2)C[C@H]1O 1041384680 ANBSUYVYIHXPAZ-CRNXPOROSA-N 389.456 -0.175 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(O)c3cnn(C)c3n2)C[C@@H]1O 1083790036 LERBPHGRQUTCDJ-ZZVYKPCYSA-N 388.428 -0.679 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCCOC 1109094510 BIULEUQEQHXRMA-XGUBFFRZSA-N 382.461 -0.229 30 20 GBED C=CCSCCNC(=O)C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1117146325 DHHGQRTYZNJMCL-WFASDCNBSA-N 376.500 -0.126 30 20 GBED COCC(=O)N1CCN(C(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1 1117912867 VBEBZVQSGBDTFC-UHFFFAOYSA-N 386.408 -0.535 30 20 GBED CCNC(=O)CN1CCN(C(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1 1117975932 LSOQJJOWFAYNNS-UHFFFAOYSA-N 399.451 -0.572 30 20 GBED C[C@@]1(C2CCN(C(=O)C(=O)N3CCC[C@@H](CC#N)C3)CC2)NC(=O)NC1=O 1118452305 ABIBFODAOHMAQB-SGTLLEGYSA-N 375.429 -0.025 30 20 GBED C=CCn1c([C@H]2CC(=O)N(C)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1121377021 OEAHRNDSOIIOIW-QWHCGFSZSA-N 387.444 -0.118 30 20 GBED C#CCN(CC#CC)c1nnc(C2CCN(CCS(N)(=O)=O)CC2)n1C 1262845034 MUENJPWPFYCEQV-UHFFFAOYSA-N 378.502 -0.254 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1323262101 OTBHSLKDMQHIFN-IRXDYDNUSA-N 392.500 -0.409 30 20 GBED Cn1cc([C@@H]2CN(C(=O)C(=O)NCc3ccc(OCC#N)cc3)C[C@H]2N)cn1 1326584385 UATXSLFZAGADCV-DLBZAZTESA-N 382.424 -0.108 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 1326688385 QTDPGDYPFAYDRW-XAGMJWQQSA-N 375.429 -0.674 30 20 GBED C#CCSCCNC(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 1326852262 ZWLQSYDOBPPTQJ-UHFFFAOYSA-N 397.469 -0.150 30 20 GBED CNC(=O)CCN(C)C(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1328325768 BHSSRDCMOZPQOY-UHFFFAOYSA-N 375.404 -0.060 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(N)=O)c2ccc(Cl)cc2)C1=O 1337775814 CWFQGSZZLOYUKY-GFCCVEGCSA-N 378.772 -0.041 30 20 GBED C=CCn1c(CS(C)(=O)=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1339061720 CPGIYRHKTBRQIG-UHFFFAOYSA-N 396.517 -0.247 30 20 GBED C=C[C@@](C)(O)CC(=O)NCC1=CCN([C@@H](C)C(=O)NCc2cnn[nH]2)CC1 1575071798 CQIDQDBHIHECOC-SCLBCKFNSA-N 376.461 -0.115 30 20 GBED CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)C2CCN(Cc3cnn[nH]3)CC2)C1 1576762465 SEOIBQYVNRWCPW-INIZCTEOSA-N 388.476 -0.811 30 20 GBED CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1579863571 JRFADOYNBXOBHF-CHWSQXEVSA-N 380.372 -0.510 30 20 GBED N#Cc1ccc(N2CC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H](O)C2)cn1 1581871307 PJEVUPIEVREQTE-DZGCQCFKSA-N 379.384 -0.169 30 20 GBED C#CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588352916 AHCQWQUBHPQTRH-OPQSFPLASA-N 382.428 -0.332 30 20 GBED C#CCO[C@@H](C)C(=O)NC1(CO)CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 1588355421 IEEIXZUUUNUOLA-LBPRGKRZSA-N 386.416 -0.858 30 20 GBED C#Cc1ccccc1CC(=O)NC[C@@H](O)CNc1nccnc1-c1nn[nH]n1 1602743475 XHGZQEVSBPNNOP-CQSZACIVSA-N 378.396 -0.230 30 20 GBED C=CCCOCC(=O)N1CCCO[C@@H](CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1602844586 QDIWYAPZKLMVQU-ZDUSSCGKSA-N 388.432 -0.299 30 20 GBED COCCN1CCN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)CC1=O 1605105237 UNNNLPVQWPHYOJ-HNNXBMFYSA-N 383.412 -0.134 30 20 GBED C#CCN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CCN(CC(=O)NC(=O)NC)CC1 1754641037 NATJIDFMTYZBOQ-OAGGEKHMSA-N 376.457 -0.064 30 20 GBED CC(=O)Nc1ccc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)o1 1779029068 GAKPAKGHRQEOQP-SFHVURJKSA-N 389.364 -0.231 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(N)=O)C1 1783288586 RPRMSDHAUYNKGE-PMUMKWKESA-N 397.476 -0.031 30 20 GBED CC(=O)N1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)S)C3)C2)CC1 1783895018 VQSYPWFBMKRZJB-KBXCAEBGSA-N 398.529 -0.701 30 20 GBED COc1nn(C)cc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1785866810 FVCOFNRSDWFJNK-OBJOEFQTSA-N 390.396 -0.890 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N(C)C(C)=O)[C@H]2C1 1787513443 HFPWJYJZJSDDSO-SRIISGBFSA-N 393.484 -0.129 30 20 GBED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCCS4(=O)=O)[C@H]3C2)CC1 1790746673 AEKUPSJTDUIKQM-ZQDZILKHSA-N 395.481 -0.153 30 20 GBED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc(C)c(O)nc3=O)[C@H]2C1 1792132351 JMFVMNABZXYDGO-KKUMJFAQSA-N 390.440 -0.187 30 20 GBED C#CCO[C@H](C)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 1793344710 SCMDRBYOVBAHFZ-HZFWPQPFSA-N 389.496 -0.046 30 20 GBED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccnn1 1795892955 AIMUMRYDNFZEIP-XOIINTDNSA-N 391.428 -0.623 30 20 GBED C=CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798693789 RPVUQMKEVHPLOC-DPYKFYPSSA-N 385.424 -0.220 30 20 GBED C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1801005466 WNJDBOGDOJHVCF-DJZPMSPPSA-N 379.413 -0.504 30 20 GBED C[C@H](CC(N)=O)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1803672769 VLIICFMPPWYUOQ-IAISJRAMSA-N 386.408 -0.313 30 20 GBED N=C1NCCN1CC(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1817299108 YEWBECPCFJMIOD-GFCCVEGCSA-N 387.400 -0.670 30 20 GBED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(O)O)CC2 1822918710 WUNZUIQUEDXPKM-VIFPVBQESA-N 383.426 -0.125 30 20 GBED CSCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831539609 UASNZWWOHNMLBJ-SFHVURJKSA-N 398.481 -0.080 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1832426526 VQAJMEVCVGGSQI-LJQANCHMSA-N 377.441 -0.521 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1832446540 AVNVSLDPFFTCDD-SUMWQHHRSA-N 399.469 -0.530 30 20 GBED Cn1nncc1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833900504 PBTVKYFZQDVVDS-UHFFFAOYSA-N 388.428 -0.912 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835115005 VEEXEDOFLHJRRH-YEWWUXTCSA-N 399.513 -0.324 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)CC)CCO2 1839827980 WDMAQUNXFJLHCC-SFFCAUCYSA-N 393.440 -0.720 30 20 GBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1846196679 CBQNSXIQMSACCR-UHFFFAOYSA-N 382.420 -0.325 30 20 GBED O=C(NO)c1cc(C(=O)NO)cc(-c2cc(C(=O)NO)cc(C(=O)NO)c2)c1 2048532597 PBMKHUXCFUKRGG-UHFFFAOYSA-N 390.308 -0.170 30 20 GBED Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 265610884 OMSFJWXCPQTTBD-CABCVRRESA-N 399.494 -0.357 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO)CC2)c1C#N 297785176 NTZKAODZLLWOTJ-VXGBXAGGSA-N 395.485 -0.438 30 20 GBED C[C@H](/C(O)=N/CCC(=O)N1CCN(C)CC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 329887840 XZEFEUHFDYQAMX-GLKFPVFTSA-N 392.456 -0.342 30 20 GBED Cn1nnc(C/N=C(/O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)n1 330245849 XZBMFYMTIUMWEP-UHFFFAOYSA-N 384.444 -0.169 30 20 GBED CC(C)[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N[C@H](C)C#N)CCN1C 349471084 DFVMHETWDJGRPG-ZIAGYGMSSA-N 380.536 -0.190 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 349482014 QCEZNLYEGIJWKG-LZPUHMRESA-N 397.478 -0.122 30 20 GBED CC(=O)N1CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)CC1 349543548 ZGTNDPLPJFWPES-UHFFFAOYSA-N 380.492 -0.954 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)NC)C2)cc1 371012291 ZSEAEFDESYIBHN-AWEZNQCLSA-N 394.453 -0.309 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)CCO1 409490120 DUUDRCLDQFLMDG-HUUCEWRRSA-N 379.442 -0.369 30 20 GBED CCN(CC)C(=O)CN1CCCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409562521 RKBZMIJGCRMYGR-HNNXBMFYSA-N 387.506 -0.668 30 20 GBED C=C(C)COCCNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 475484952 IGGWNWRRYCEASC-UHFFFAOYSA-N 379.417 -0.611 30 20 GBED CN1CCN(S(=O)(=O)c2cccc(NC(=O)Cn3cnc(C#N)n3)c2)CC1 495078144 IEEJPAOBNOVUBS-UHFFFAOYSA-N 389.441 -0.275 30 20 GBED Cn1cc(CCNS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)cn1 571701509 MZPLQQQZYYQWFJ-UHFFFAOYSA-N 383.455 -0.257 30 20 GBED N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)n1 578648833 NNRXPIBVNRKRLK-ZDUSSCGKSA-N 377.426 -0.082 30 20 GBED COC[C@H](O)CCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 583095043 VGDOYLOWYUSAAR-GFCCVEGCSA-N 391.471 -0.494 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)N2CCCO[C@H](CN)C2)CC1 595985004 ZPDNXHPYGVEIHW-CYBMUJFWSA-N 377.470 -0.155 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CN(C)C(=O)[C@H](C)n2cccn2)CC1 733149866 VHFRXAQAKNAHKH-INIZCTEOSA-N 388.472 -0.814 30 20 GBED O=C(CN1CCN(C(=O)C#Cc2ccccc2)CC1)N[C@@H]1CCS(=O)(=O)C1 747392329 AZPFTOAWVXUKHZ-QGZVFWFLSA-N 389.477 -0.514 30 20 GBED C#C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)[C@@H]1CCCO1 775347389 LXBHJJGYRDKUFV-HOTGVXAUSA-N 391.449 -0.282 30 20 GBED Cn1cc(N2CC[C@H](NC(=O)C(=O)NCCNc3ccc(C#N)cn3)C2=O)cn1 807212099 QLMISLOTHWBLEM-AWEZNQCLSA-N 396.411 -0.863 30 20 GBED CCN(CCC#N)C(=O)CN1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C 821207737 UCUKWRUCJSYFPW-ZDUSSCGKSA-N 384.448 -0.071 30 20 GBED N#C[C@@H]1CNC[C@@H]1NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 843459768 IDAGSIXOWMWVIP-FMKPAKJESA-N 378.454 -0.015 30 20 GBED C#CCNC(=O)C1CCN(C(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)CC1 845349856 QUKXKMSXWLKUHO-INIZCTEOSA-N 375.400 -0.096 30 20 GBED CCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 846969508 XCHVKUODLRKFQH-UHFFFAOYSA-N 379.508 -0.661 30 20 GBED C=C(CO)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 855582069 ZLEBRLKKJXENQZ-UHFFFAOYSA-N 383.470 -0.188 30 20 GBED C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)CCCOC)CC2)C1 890369740 ZWMLAOMXOYXYHS-INIZCTEOSA-N 386.518 -0.223 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914652346 KTQGHQDGIPDHMR-DCGLDWPTSA-N 399.469 -0.380 30 20 GBED C=CCOc1cccnc1C(=O)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@H](OC)C1 946787524 UKWWVSWXMVHMOM-QVHKTLOISA-N 388.424 -0.277 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1C 956974119 PXWQPZZDMXTNCC-DLTWYDFYSA-N 391.472 -0.084 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)C[C@@H]1O 964503691 NVOLQKXREOPFHK-MWNCTCPHSA-N 388.424 -0.537 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(=O)Nc2cc(C)on2)C[C@@H]1O 964615428 RHDCKDPXRKRFLV-MQYQWHSLSA-N 392.412 -0.409 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@@H]1O 964615508 WGZXXVDXTAVRDE-KBXIAJHMSA-N 393.440 -0.805 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)c[nH]2)C1 1025318066 RAHOZCYGFYTPJQ-MYPMTAMASA-N 376.413 -0.604 30 20 GBED C=CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCO[C@H]3C=C)C2)nn1 1025711092 DKVAXOCJKHMMAX-XOUADPBQSA-N 375.429 -0.253 30 20 GBED Cn1c(=O)ccn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2C#N)c1=O 1055465698 VIXGUOCEAFISNH-BZPMIXESSA-N 381.396 -0.865 30 20 GBED C=CCOCCNC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 1118383970 LVZBKWCSZAXGBQ-UHFFFAOYSA-N 380.489 -0.148 30 20 GBED COCC[C@@H](CCCC(=O)N1CC(O)(CC#N)C1)C(=O)N1CC(O)(CC#N)C1 1256604176 NMZWOSKEFDPYMP-OAHLLOKOSA-N 392.456 -0.217 30 20 GBED Cn1c(-c2cnc(O)c(C#N)c2)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 1263630613 RHXRRAABVRLQQL-GFCCVEGCSA-N 377.430 -0.028 30 20 GBED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(C)(=O)=O 1292134114 OASAYVVWPZQLDY-ZDUSSCGKSA-N 398.489 -0.030 30 20 GBED N#CC1(NC(=O)CN2CCN(CC(=O)NC3(C#N)CCC3)CC(O)C2)CCC1 1322683539 NQZRVZGSBNVGJB-UHFFFAOYSA-N 388.472 -0.910 30 20 GBED CN1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1323940265 QUUVUSRYXSGXKQ-DVEDPGPFSA-N 397.435 -0.068 30 20 GBED N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1 1323968749 OCQQQYXDNIOMAI-GOSISDBHSA-N 385.468 -0.303 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(c2ccc(C(=O)OCC)cn2)CC1 1342444414 FPRFEZBGWVHYGV-UHFFFAOYSA-N 388.424 -0.327 30 20 GBED CC(C)N(CCO)CC1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1452067950 OACFHUVQNNLIKH-UHFFFAOYSA-N 377.445 -0.238 30 20 GBED N#CCN(Cc1cnn[nH]1)C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl 1577706867 WZZCCKMUAQVQGL-CYBMUJFWSA-N 389.803 -0.016 30 20 GBED CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1579859279 IJMRCPYRENVJGD-CHWSQXEVSA-N 380.372 -0.510 30 20 GBED N#Cc1cncc(N2CCO[C@@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 1581883693 SANHZCRKPMUFBG-LBPRGKRZSA-N 380.372 -0.508 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1 1588525413 HFIJTGSCLROMQA-CQSZACIVSA-N 385.428 -0.168 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)NC[C@H]1CNCCCO1 1588638679 HFXGPRYEPZKZOU-MRXNPFEDSA-N 399.455 -0.124 30 20 GBED C=CCn1cc(C(=O)N2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)nn1 1588711652 VSHRNGLGUNPGPB-UHFFFAOYSA-N 382.388 -0.430 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C[C@H]2C1 1602725419 KFYHIPUGFMTBIY-MCIONIFRSA-N 382.428 -0.020 30 20 GBED C#CCOCCC(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nn[nH]n3)n2)C1 1602727837 UDPUVNUDGPBCHQ-ZDUSSCGKSA-N 386.416 -0.356 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@H](CNc3nccnc3-c3nn[nH]n3)C2)c1 1606357545 SPOJRXYDISLJAE-LLVKDONJSA-N 380.372 -0.190 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnn4c3)C2)C1 1782388478 VSKZBDRWECJGNV-IBGZPJMESA-N 382.376 -0.134 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1783926678 IXIXZBBYHZQULM-MDASCCDHSA-N 396.440 -0.530 30 20 GBED CN1CCCC[C@@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784114237 CIHUNQGGGRZMIS-JONQDZQNSA-N 377.441 -0.462 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NC(C)=O 1793373858 JGDVREIWJSWMTM-DMRZNYOFSA-N 379.457 -0.471 30 20 GBED COC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795602709 ZVTOVZBDKQCCQA-AGGWBTHJSA-N 395.460 -0.786 30 20 GBED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC)C(=O)O 1795644996 UECHJHZXJZRJDV-KRXQYRFLSA-N 379.457 -0.168 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2cccnc12 1797367538 NYDAWQWYCNDWDR-DRXBFXEBSA-N 383.364 -0.980 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2 1799390108 WXQGPZNCVLMOJC-AYDFFVQHSA-N 397.476 -0.352 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cnnn1)C2 1799395704 HJHIJAARGXHNRB-ZQNQSHIBSA-N 393.448 -0.375 30 20 GBED CN1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)C1 1801559308 NHLDGOAVLDRPJZ-XXRDCFQUSA-N 394.472 -0.333 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1831401597 CQVGPDYTXVNEGG-GXAQHZSOSA-N 392.452 -0.627 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835516644 QWSDXFNPZHFBQJ-HZMBPMFUSA-N 376.504 -0.612 30 20 GBED C[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447002 SMWBBYVHLZOTSL-INPMHVJESA-N 382.461 -0.705 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839957955 NOEXDOITIYXJIZ-PXNSSMCTSA-N 387.436 -0.040 30 20 GBED C#CCCCCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044139 MYGLIKZDGFJTIW-LJQANCHMSA-N 376.409 -0.276 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1840480553 WLNSBUMVTPWPCU-MAUKXSAKSA-N 390.444 -0.506 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1 1841891816 LDQNDKIVKPBHNP-GFCCVEGCSA-N 378.429 -0.685 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844297005 OFSKRAYGEYNAQL-GDBMZVCRSA-N 382.461 -0.359 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NS(=O)(=O)CC 1847782779 FAWAJORIQNCCRQ-XGUBFFRZSA-N 385.486 -0.446 30 20 GBED CN(C)C(=O)C/N=C(/NCC(=O)N(C)C)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 262277919 IKTGJNJNOBHRPQ-ULQDDVLXSA-N 392.548 -0.085 30 20 GBED C#CCSCCNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 265832612 YBAVWYWHMBYMQS-UHFFFAOYSA-N 391.449 -0.061 30 20 GBED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 267616694 XKNHUBDNBGICJJ-UHFFFAOYSA-N 391.403 -0.457 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)c1cnn(C)c1 268922289 PBURLMHLAIFUOY-IAQYHMDHSA-N 377.426 -0.192 30 20 GBED N#Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3nnc[nH]3)CC2)cc1 274440037 HVHWYUZUHPZCEM-UHFFFAOYSA-N 376.398 -0.412 30 20 GBED C[C@@H]1C(=O)NCCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 288807265 GJFXTHFKLOFQLU-IUODEOHRSA-N 383.408 -0.483 30 20 GBED C=CCN(C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@H]1CCS(=O)(=O)C1 299177419 YFBBTCYBBXTBGO-YOPIWALVSA-N 378.450 -0.005 30 20 GBED CN1CCOC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 329001275 VXIPVQDQZDVHMH-INIZCTEOSA-N 378.454 -0.278 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)N(C)C)CC2(C)C)C1=O 329346824 DCONGURNPISFRS-UHFFFAOYSA-N 379.417 -0.432 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](CO)C1 349519047 HLERZQDWKOAYLR-STQMWFEESA-N 397.544 -0.709 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCS(=O)(=O)NCC(C)(C)C#N)n1 349550492 ILYZNAIYFIHYMV-UHFFFAOYSA-N 388.475 -0.107 30 20 GBED C[C@H](O)CN(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H](C)CO 443836912 DKYISYAIAJIYQE-NEPJUHHUSA-N 389.387 0.412 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1CCNS(=O)(=O)c1cnn(C)c1 464856848 JVACQUCZVXITMF-ZDUSSCGKSA-N 390.473 -0.429 30 20 GBED Cn1cc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 482661665 JHUSHRIIAQUOCF-MRXNPFEDSA-N 380.408 -0.175 30 20 GBED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)CCCC#N)CC2)C[C@H](C)O1 521176855 ZNIJCWQCLQZATI-KBPBESRZSA-N 394.519 -0.408 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 541400887 HMJGEJYVGFVPEQ-CQSZACIVSA-N 376.369 -0.765 30 20 GBED N#CCNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(Br)s1 561397965 ZIASTJDYEHTQSH-UHFFFAOYSA-N 395.260 -0.455 30 20 GBED C[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 563426152 GSZPHQJOULDCPT-QWHCGFSZSA-N 398.466 -0.132 30 20 GBED CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 574415424 XKXPEWZGAMQNSY-LLVKDONJSA-N 388.471 -0.366 30 20 GBED COCCCN(CCO)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587659301 KQGVTKGXSRHHSV-UHFFFAOYSA-N 389.456 -0.104 30 20 GBED C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)[C@H]1CN(C)CCO1 589408529 YJOAYQILLDYSIB-IUODEOHRSA-N 383.412 -0.087 30 20 GBED COC(=O)C[C@]1(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CCOC1 593653564 QCOBBHDBBMIBIF-QGZVFWFLSA-N 377.401 0.287 30 20 GBED CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 600047793 MFQRBQDQRDMXRT-UHFFFAOYSA-N 389.387 -0.167 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC(C)(C)NS(C)(=O)=O 610684126 SHELNKPRAYZGPE-GFCCVEGCSA-N 395.489 -0.104 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCn2nc(O)c3ccccc3c2=O)CC1 728534039 FOKDHWIYWNVVIS-UHFFFAOYSA-N 397.435 -0.614 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)CC1 728608735 RXYISFTWVMXTOD-UHFFFAOYSA-N 397.523 -0.059 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@@H](CO)C2CC2)CC1 771822490 YTHKXMWVQNIIHS-INIZCTEOSA-N 392.481 -0.248 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 789110946 CCCRQCGGCSUTNE-INIZCTEOSA-N 396.400 -0.843 30 20 GBED C#CCNC(=O)CN1CCN(Cc2c(C)nn(CCS(C)(=O)=O)c2C)CC1 797959106 YQUJDUDIYMIHKL-UHFFFAOYSA-N 395.529 -0.588 30 20 GBED C=CC[C@H](CO)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 823888035 DDIAYAKFKVNKAE-NEPJUHHUSA-N 394.457 -0.166 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1 831556835 VVSKJJVCEOIZBZ-MNOVXSKESA-N 396.391 -0.945 30 20 GBED C[C@@H](CC(=O)N1CC(=O)N(C)C(=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 848048065 GUFLZRDREDMNMF-JTQLQIEISA-N 378.410 -0.669 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1 850712685 PEFMDUMYDBXTMU-UHFFFAOYSA-N 393.444 -0.642 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC(C)C)nc2)CC1 866731063 GFOMLSIFJLFPLM-UHFFFAOYSA-N 380.470 -0.076 30 20 GBED Cn1c(=O)c2c(ncn2CC(=O)[C@H](C#N)C(=O)NCc2ccccc2)n(C)c1=O 916885825 BIBZWBYJRPMDQS-ZDUSSCGKSA-N 394.391 -0.541 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(CN(C)C)on2)C[C@@H]1O 970711740 LZMVAYXWNVFKCF-OJLVUWQFSA-N 378.429 -0.371 30 20 GBED C=C(Br)CN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@H](OC)C1 1082130577 ULCUUZHHKRAZCZ-WRWGMCAJSA-N 376.251 -0.257 30 20 GBED C=CCN1CC[C@H](N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CC2CS(=O)(=O)C2)C1=O 1095650399 RSUVDVBWGIILFY-UGUYLWEFSA-N 381.498 -0.071 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCc1nc[nH]n1 1109127421 JXVKLOPDLPFIQB-AGIUHOORSA-N 375.433 -0.529 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1nnn(C(C)(C)C)n1 1110591917 FOSVBWJILAAMIJ-MCIONIFRSA-N 375.477 -0.006 30 20 GBED Cc1c(C#N)c(=O)n(CC(=O)N2CCN(C(=O)C3CC3)CC2)c(=O)n1C1CC1 1166660880 NMCNAJFDEMUEJT-UHFFFAOYSA-N 385.424 -0.394 30 20 GBED CC(C)(C)OC(=O)NCC(=O)NCC(=O)N(CCC#N)CCN1CCOCC1 1292290295 KJMGJDIVCRGRBC-UHFFFAOYSA-N 397.476 -0.298 30 20 GBED CS(=O)(=O)C1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 1321740398 BWBLAXILZVMJSA-UHFFFAOYSA-N 379.442 -0.483 30 20 GBED 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C#CCN1CCC(C(=O)NCCCN(C)c2nccnc2-c2nn[nH]n2)CC1 1588352291 XQZFEUMVRLIMOZ-UHFFFAOYSA-N 383.460 -0.056 30 20 GBED C#CCN(CC(=O)O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 1588420316 VSALZWBENOMUOA-UHFFFAOYSA-N 397.428 -0.322 30 20 GBED C=CCCO[C@H](C)C(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[nH]n2)cn1 1588608750 PSKKCHNIEISKGJ-CHWSQXEVSA-N 388.432 -0.041 30 20 GBED C=CCNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588658543 PDZLWTDMHWNBMK-SNVBAGLBSA-N 389.420 -0.743 30 20 GBED CN(C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)CSCC#N 1591044474 PSHDYZCRLSHJNX-JTQLQIEISA-N 392.445 -0.657 30 20 GBED CNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1618781058 YXGKQNUJWUJCNV-AWEZNQCLSA-N 388.476 -0.271 30 20 GBED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCO1 1761502047 LRZLKQPILWBJTQ-UPJWGTAASA-N 384.462 -0.204 30 20 GBED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)N1CCOCC1)CCO2 1784198619 SGMFGNWASBFCMD-AZUAARDMSA-N 393.484 -0.340 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSC(=N)N)C[C@@H]21 1784479931 LUGFTWUIBYMFBI-RFGFWPKPSA-N 382.486 -0.369 30 20 GBED COc1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1785652386 SZGLBNJVYAHKPF-AVGNSLFASA-N 388.380 -0.834 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCNC4=N)[C@H]3C2)c1 1786842761 YIAAFNLJZSXUPM-DZKIICNBSA-N 399.455 -0.680 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(C)C)C2 1792488740 PQFJBEUTXFKKHC-DUGXABPWSA-N 392.500 -0.178 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=S)NC)C2 1793343952 DSMOIGBWJBNSJG-HGTKMLMNSA-N 396.513 -0.902 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1ccncc1 1793950035 JFSZSQAXEQMNIB-IVWMJMPLSA-N 389.433 -0.149 30 20 GBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)ncn1 1794369164 IQWUTINUTYFSDP-XHSYRHOGSA-N 380.426 -0.304 30 20 GBED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1 1797621851 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397.844 -0.001 30 20 GBED N#Cc1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 268356718 XEQVSCYIHQVWMK-UHFFFAOYSA-N 380.401 -0.191 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cccnc2OCCOC)C1=O 284410276 JUFRNNRWZRBGSD-OAHLLOKOSA-N 390.440 -0.032 30 20 GBED CN(CCOCCO)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 289112680 QESCCQPGAMBCJG-MRXNPFEDSA-N 388.424 -0.363 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](NC(=O)NC3CC3)C2)cc1 290334930 BZSPHVYVRWKEET-AWEZNQCLSA-N 391.453 -0.101 30 20 GBED COCCCN(CCO)C(=O)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 297840262 MIHDVQUOFYQLQT-HNNXBMFYSA-N 376.413 -0.210 30 20 GBED Cc1cc(N2CC[C@H](/N=C(/O)N3CCOC[C@H]3c3ncnn3C)C2=O)n(C)n1 329591217 ZVDKWEORFNUKOK-STQMWFEESA-N 388.432 -0.050 30 20 GBED C[C@H](/N=C(/O)Nc1cnn(CCN2CCOCC2)c1)C(=O)N1CCOCC1 329961573 OQZSWDAWXRYRNC-AWEZNQCLSA-N 380.449 -0.212 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)CC1 349471549 DRRPSGJAEJLFQF-PDWCTOEPSA-N 389.499 -0.617 30 20 GBED CCN1CCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)[C@@H](C)C1=O 349473476 IFZXXOZSQWLLJS-LBPRGKRZSA-N 392.503 -0.766 30 20 GBED CN1CC[C@H](NS(=O)(=O)CCCS(=O)(=O)N[C@]2(C#N)CC2(C)C)C1=O 349544574 BFBZPLWWYYVVAG-FZMZJTMJSA-N 392.503 -0.862 30 20 GBED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OC)n2)c1=O 479368443 VOBJVUGMDWCDTF-UHFFFAOYSA-N 388.449 -0.401 30 20 GBED CN(C)C(=O)CN1CCN(C(=O)CN2CCN(c3ccc(C#N)cn3)CC2)CC1 497458514 DBGRVZKUJYZUJW-UHFFFAOYSA-N 399.499 -0.692 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCO[C@@H]2c2nccn2CC)C1=O 498731239 TXVGFGKPRLAVPD-AAEUAGOBSA-N 375.385 -0.174 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](O)COC)cc1 565228769 HYYDNRJVCUNWLQ-NWDGAFQWSA-N 391.471 -0.447 30 20 GBED N#CCN1CCC(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)CC1 585704340 FKJKXWCKTJIXHD-UHFFFAOYSA-N 393.469 -0.815 30 20 GBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1 728570781 MVDIPTJUMNSSOL-NSHDSACASA-N 377.367 -0.870 30 20 GBED Cc1nc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cn1C 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C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(CC(=O)O)c2)CC1 817686004 XXVRDDKVEFUFQA-UHFFFAOYSA-N 388.424 -0.301 30 20 GBED C=CCN(C(=O)CNc1ccc(-c2nn[nH]n2)cn1)[C@@H]1CCS(=O)(=O)C1 823899179 ONTSKLQIEWGXSN-GFCCVEGCSA-N 377.430 -0.125 30 20 GBED COCCNC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 916889048 JDBIHZSREYSZKF-OAHLLOKOSA-N 395.437 -0.207 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@@H]1O 964504217 UKUJYEKTCXHHCR-AEIGPULVSA-N 376.413 -0.937 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2ccc(C(N)=O)cc2)C1 967495146 ZUJFJYCHHJYNDI-NCOADZHNSA-N 387.436 -0.393 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCCS(=O)(=O)C1 1110465765 RUTLUFXMFFOTHY-FPCVCCKLSA-N 381.498 -0.328 30 20 GBED CC(C)CS(=O)(=O)N1CCC(NC(=O)C(=O)Nc2cnn(CC#N)c2)CC1 1116485245 SVSRVZNLCDPADG-UHFFFAOYSA-N 396.473 -0.088 30 20 GBED CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)C1 1118355134 DQFFGMLXPUISAH-ZFWWWQNUSA-N 376.438 -0.188 30 20 GBED 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N#Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[nH]n4)nc3)C[C@@H]2O)[nH]1 1581867884 AEAHKSVUHJJXLD-DOMZBBRYSA-N 379.384 -0.169 30 20 GBED COC[C@@]1(C(=O)O)CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCO1 1593975840 UCVKHOAMNSNGER-QGZVFWFLSA-N 396.421 -0.198 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)c(C(=O)O)c1 1601111541 AEXUMUOBNJSRRO-JSGCOSHPSA-N 379.394 -0.075 30 20 GBED C#CCN1CCC(C(=O)NC/C=C\CN=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1602718065 LYTBUFTXEIWTJO-ARJAWSKDSA-N 381.444 -0.492 30 20 GBED C=CCNC(=O)CN1CCN(CCCN2C(=O)CS/C2=C\C(=O)O)CC1 1609398831 LYJOYCKPCJBAAR-WJDWOHSUSA-N 382.486 -0.202 30 20 GBED CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1747416204 QVZLJHWOROYFEV-ZDUSSCGKSA-N 379.446 -0.158 30 20 GBED COCC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1749614107 KKXGAVVNFKUAAF-KBXCAEBGSA-N 392.460 -0.083 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782963332 ZWCFMTBCVSUJQW-ZOWXZIJZSA-N 376.500 -0.288 30 20 GBED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)CNC4=O)CCO3)C2)CCC1 1785363233 JQCOMQXVZVIYPR-GOSISDBHSA-N 389.412 -0.938 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc[nH]3)[C@H]2C1 1785996919 MOWXKWNQYLXUMW-MYVDIJBLSA-N 387.440 -0.139 30 20 GBED Cn1ncnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597989 ONJRWRJFRSBFKA-BTTYYORXSA-N 389.460 -0.700 30 20 GBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)nn1 1800208425 JARORBUIRGWDLN-ZVXAKGHKSA-N 382.442 -0.531 30 20 GBED CN1CCC(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)CC1 1800774642 ODHYJEUNIZDXAS-CCWDJLKJSA-N 377.441 -0.604 30 20 GBED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN(CCO)CCO)C3)CCC1 1804114909 UMMVOWOYCKAIKP-MUJYYYPQSA-N 378.473 -0.395 30 20 GBED O=C(/C=N/O[C@H]1CCCCO1)Nc1nc2c(s1)C[C@@H](NC(=O)C(O)O)CC2 1819900873 QYNPDRZTPNDGBY-SHODIVGHSA-N 398.441 -0.105 30 20 GBED C[C@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831208518 MMFPEQTUUABXMG-KUHUBIRLSA-N 377.441 -0.632 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(OC)OC)C2)C1 1831388393 RYZUEIPOHUXEAV-RDTXWAMCSA-N 384.429 -0.900 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832379966 FNAFWOBFFLEUOJ-SJCJKPOMSA-N 398.485 -0.631 30 20 GBED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1837641057 DQSOGEXFFKTPJB-YJBOKZPZSA-N 390.444 -0.326 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2 1842920535 WVZZZYXQGMGVMT-OAHLLOKOSA-N 393.488 -0.878 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(CCCC(=O)NC(N)=O)CC2)cc1 64431843 OYEATAGYWQYYNT-UHFFFAOYSA-N 379.442 -0.160 30 20 GBED CN1CCN(C(=O)c2cc(N=C(O)N[C@H]3CCS(=O)(=O)C3)ccn2)CC1 329298142 UKCCEGWUJBCSEU-ZDUSSCGKSA-N 381.458 -0.209 30 20 GBED C[C@H]1CN(C(O)=Nc2cnn(CC(=O)N3CCOCC3)c2)C[C@H](C)S1(=O)=O 329777433 KLNIZAWXABXNHU-STQMWFEESA-N 399.473 -0.205 30 20 GBED C[C@H](/N=C(/O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[C@H]1CCCOC1 329812204 RVWTYWWSLGGNRB-STQMWFEESA-N 380.449 -0.322 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N2CCCOC2)ccc1C#N 349509177 NGGBDYSQFWUCPV-UHFFFAOYSA-N 388.471 0.403 30 20 GBED CN(CC(=O)N1CCn2c(O)nnc2C1)S(=O)(=O)c1ccc(C#N)cc1 438457075 QADJYTQCEIMVFZ-UHFFFAOYSA-N 376.398 -0.482 30 20 GBED CN(C)S(=O)(=O)N[C@@H](CNS(=O)(=O)N(C)CCC#N)C1CCCC1 451917349 CAHLUPLBETZLHH-ZDUSSCGKSA-N 381.524 -0.379 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CC(N)=O 524282786 KUUYNFVDDXIFMU-UHFFFAOYSA-N 396.472 -0.183 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)cc1 566486681 LUYHIHOUVGRHHR-XCVBADHISA-N 397.478 -0.122 30 20 GBED N#Cc1cc(N2C[C@@H](O)C[C@@H](O)C2)cc(N2C[C@@H](O)C[C@@H](O)C2)c1[N+](=O)[O-] 610588157 HPRMUVNZPMVOFM-NMWPEEMBSA-N 378.385 -0.670 30 20 GBED C=C[C@@H]1CN2C(=O)CN(CCN3CC(=O)N(C[C@H](C)CC1=C)C(=O)C3)CC2=O 642880614 APDAGMJDMRHRBD-GDBMZVCRSA-N 388.468 -0.274 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCNC(=O)OCC(F)(F)F)CC1 728530443 FJYKJTDNEOVJJU-UHFFFAOYSA-N 378.351 -0.441 30 20 GBED Cn1cc(S(=O)(=O)NCC(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)cn1 734575355 XCYOIEUYSFYQLQ-AWEZNQCLSA-N 377.382 -0.660 30 20 GBED CCOCCCNC(=O)[C@H](C#N)C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 744024498 YPZGFHDLFRWZNI-JPIRQXTESA-N 391.424 -0.209 30 20 GBED N#Cc1cccc(OCC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 750646845 LKQANUMLWCPZBQ-HZPDHXFCSA-N 379.438 -0.761 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(OC)cc(OC)c2)CC1 767839861 GRRLKKJWAMPZMC-UHFFFAOYSA-N 381.454 -0.241 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)O1 774833309 RIHKUBMUIFXRCF-YPMHNXCESA-N 394.453 -0.523 30 20 GBED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nn1c(O)nnc1O 820292557 UHDJCQDUPGTLRE-JTQLQIEISA-N 394.413 -0.087 30 20 GBED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@H]2CCCN(O)C2=O)C1 848138307 OMJLMFZRYLNZOV-OLZOCXBDSA-N 399.473 -0.076 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC(=O)OC)cc1 848891473 YTDLKBXIUCDOMS-UHFFFAOYSA-N 399.450 -0.372 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cnn(C)c2C)C[C@@H]1O 970706335 GFHIKXKKZWMAAU-NCOADZHNSA-N 376.457 -0.060 30 20 GBED C=CCn1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nn1 981368956 SFWCZCSNWJYQET-MYZSUADSSA-N 390.444 -0.488 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCOCC2=O)nc1 1004741763 FXRAERIJQYXDNL-OIISXLGYSA-N 382.420 -0.217 30 20 GBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2cc(=O)n3[nH]cnc3n2)nn1 1055365083 NXYKRCNRVDMOAJ-WZRBSPASSA-N 377.368 -0.381 30 20 GBED C=CCCCN1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 1108481831 HRUIPPWEUUETNX-FXUDXRNXSA-N 383.514 -0.013 30 20 GBED COC[C@H](C)NC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C#CC1CC1 1109259438 CVACDDVXDKYXGL-UKMLZYKCSA-N 376.457 -0.018 30 20 GBED C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 1117854275 MOLXFMJLBTUOEK-BBWFWOEESA-N 377.489 -0.246 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1 1118140644 TWEZMDWZAOYZIK-IBGZPJMESA-N 386.408 -0.025 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1 1194881363 QZEMWTQYZGDQIE-KCYZZUKISA-N 388.472 -0.553 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)CCO1 1261232041 SOMKEEUCSVPDSY-HOCLYGCPSA-N 386.408 -0.467 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCC[C@H](n2ccnc2)C1 1322760278 OGNBECSUHMYLMS-PVEMMZBWSA-N 386.412 -0.311 30 20 GBED C=C(C)Cn1c(CN2CCC[C@@H](O)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1356370461 NOYRUUDCMVHIBF-OAHLLOKOSA-N 398.533 -0.108 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)Cn3ncn4nccc4c3=O)C2=O)cc1 1448848032 QAPCMNUEWGQDIN-OAHLLOKOSA-N 391.391 -0.320 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573286166 VIWBRWRYTLLCAZ-HNNXBMFYSA-N 384.444 -0.177 30 20 GBED C#CCNC(=O)CC(=O)N1CC[C@@H]2CN(C(=O)CCCc3cnn[nH]3)C[C@@H]2C1 1575004892 PAGOJHCSJTZYDH-CABCVRRESA-N 386.456 -0.426 30 20 GBED N#CCNC(=O)CNC[C@@H]1CCCN(C(=O)c2ccc(-c3cnn[nH]3)nc2)C1 1577706661 OLCPDCJXWDWAFO-ZDUSSCGKSA-N 382.428 -0.052 30 20 GBED CCN(CCC#N)C(=O)CN1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1577909418 QBPGSJXYHABEOX-CYBMUJFWSA-N 385.432 -0.239 30 20 GBED C#CCN1CCC(C(=O)N(C)CCN(C)c2cnc(-c3nn[nH]n3)cn2)CC1 1588352056 RWPKYAXDDLKIFV-UHFFFAOYSA-N 383.460 -0.104 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(c3snc(C)c3-c3nn[nH]n3)C[C@@H]2O)c1 1588379792 NMGTWMULYSDJSE-OLZOCXBDSA-N 396.436 -0.013 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCC3(CC(C(=O)O)C3)O2)C1=O 1588463917 BFXCZWIIFXAOHJ-GCULGPDHSA-N 379.369 -0.508 30 20 GBED C=CCNC(=O)CNC(=O)N1CCN(c2snc(C)c2-c2nn[nH]n2)CC1 1588659135 IAWPIIPNISTZSS-UHFFFAOYSA-N 391.461 -0.235 30 20 GBED C=CCOC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)O 1588850962 MCNQALGJEFGJSY-FZMZJTMJSA-N 381.410 -0.003 30 20 GBED CC1(C)CN(CC(=O)NCC#N)CC[C@H]1NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1590104427 FQPGITSANAJZGK-CYBMUJFWSA-N 385.432 -0.335 30 20 GBED COCC#CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 1591362149 RSSKRBPQWBBNNS-UHFFFAOYSA-N 390.425 -0.651 30 20 GBED CN1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@H](C(=O)O)C1 1598612245 YZPVQQOYYACHOB-CQSZACIVSA-N 394.453 -0.033 30 20 GBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[nH]n3)cc2)C1 1604921403 QNGIZULVGUVZRQ-RRFJBIMHSA-N 384.396 -0.069 30 20 GBED Cn1cc([C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CCN2)cn1 1634952665 YXJCIYPDOFXEJD-INIZCTEOSA-N 388.453 -0.257 30 20 GBED CC(=O)O[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C(C)C 1783564364 JGTNLJSKYXHKAV-SJLPKXTDSA-N 380.397 -0.508 30 20 GBED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)C[C@H]4NC(=O)NC4=O)CCO3)C2)CCC1 1785363211 RCTJQXFQIVBJFM-XIKOKIGWSA-N 389.412 -0.892 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC=O)[C@H]2C1 1789881406 OHNPNIWKQYGGIS-YXMSTPNBSA-N 382.461 -0.099 30 20 GBED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1791267278 KEOJDPWGAPFTQB-KKUMJFAQSA-N 390.440 -0.679 30 20 GBED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(C)=O 1797972367 XHILNSDCOGMMSV-RDDKANTKSA-N 381.473 -0.061 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nccnc2C(N)=O)CC1 1798356067 AEWWOFSMHUMOKR-ZSBIGDGJSA-N 384.396 -0.918 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(C)=O 1800533322 PKOIUIZBWFCRRL-SLZITWOASA-N 381.473 -0.326 30 20 GBED CN[C@H](CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1)C(=O)O 1831670359 UGPFBXDADYPWEL-CABCVRRESA-N 393.440 -0.243 30 20 GBED COc1nccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834755972 GHDPBZSXQOUFBR-QGZVFWFLSA-N 375.385 -0.531 30 20 GBED C[C@H](CS(C)(=O)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834756221 UZVRETVKQVKLKE-CZUORRHYSA-N 387.458 -0.963 30 20 GBED Cn1cccc1C(=O)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835364410 UZRXGIOFNRYCAZ-IBGZPJMESA-N 388.424 -0.032 30 20 GBED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cncn1)CCO2 1836139761 UIUNNHQCZAGLRS-LJQANCHMSA-N 389.456 -0.072 30 20 GBED C#CCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836362529 ZMZFSQQKLQHNBS-ROUUACIJSA-N 376.501 -0.306 30 20 GBED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1838357157 UMAGQHUJTDYWDH-MRXNPFEDSA-N 381.429 -0.317 30 20 GBED CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839858088 INQCJCMDEZGYNG-NRFANRHFSA-N 399.447 -0.369 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1842919185 CRGDFVBRMAVDJM-GFCCVEGCSA-N 390.444 -0.930 30 20 GBED CN[C@H](CC(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2)C(=O)O 1842950041 FTRRDFHFIGZXHZ-CYBMUJFWSA-N 379.461 -0.466 30 20 GBED C=CCNC(=O)NC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N(C)C)ccc21 116542276 BJFQKGHKQWKVBV-UHFFFAOYSA-N 382.398 -0.143 30 20 GBED C/N=C(/NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CCN(C[C@H]2CCOC2)CC1 261709415 JWGZKQUTJRIOND-JKSUJKDBSA-N 387.550 -0.503 30 20 GBED C/N=C(/NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC[C@H]1CN(C)CCN1C 261821002 UNGRIYZZBXTPJP-QUSNUVHPSA-N 388.516 -0.796 30 20 GBED N/C(=N/Cc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCOCC1 262010455 TZCUZARXNWHJKP-UHFFFAOYSA-N 382.486 -0.005 30 20 GBED CC/N=C(/NC[C@@H]1CCS(=O)(=O)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 262580607 QHUQFYUEKDWNOV-GJZGRUSLSA-N 386.518 -0.290 30 20 GBED CC(=O)NC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCO1 268829104 LXRCILKGZAIZQU-SWLSCSKDSA-N 394.453 -0.411 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C 271952474 CFTUOPUTAMDBGO-UHFFFAOYSA-N 394.453 -0.207 30 20 GBED C[C@@]1(C(N)=O)CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 289170366 VCQLXESIMFCRRV-FOIQADDNSA-N 397.435 -0.106 30 20 GBED CCN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1=O 289212515 YKKIWXUHTSYQAL-INIZCTEOSA-N 397.435 -0.139 30 20 GBED C[C@@H]1CN(C(=O)Cn2cc(N=C(O)N3CCS(=O)(=O)CC3)cn2)C[C@@H](C)O1 329948678 ZGTIHHKDVNKRNH-CHWSQXEVSA-N 399.473 -0.205 30 20 GBED CN(C1CC(O)C1)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(C#N)cn1 349502952 RQVYYKQMUWMEPP-UHFFFAOYSA-N 388.471 -0.130 30 20 GBED Cc1c(NS(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)CC#N)nnn1C 349521232 LOKLEJYRGJEEEF-SNVBAGLBSA-N 378.480 -0.181 30 20 GBED N#Cc1ccnc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@H](CO)C2)c1 349530120 XJQHYSRSQAOGLZ-ZDUSSCGKSA-N 388.471 -0.271 30 20 GBED Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2CCOC2)ncc1C#N 349603310 RRSLWQLCRNFJDW-UHFFFAOYSA-N 388.471 0.403 30 20 GBED Cn1cc(C#N)c(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C)(O)C2)n1 349608502 GYKRZFUBLJSPSD-UHFFFAOYSA-N 391.475 -0.790 30 20 GBED CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)NCC(=O)NCC#N)C2)CC1 367577298 CFVQNFJXQAXACY-AWEZNQCLSA-N 394.476 -0.037 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cc1 370933682 DDLYVQYRLRJWAC-CQSZACIVSA-N 385.467 -0.509 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)CCc1ccc(C#N)cc1)C2 372798802 SSTUDQCZKHWNGH-UHFFFAOYSA-N 382.424 -0.020 30 20 GBED CCN(C(=O)[C@@H](C)n1cnc(C#N)n1)C1CN(C(=O)[C@H](C)n2cnc(C#N)n2)C1 410014207 INQKKYFLZFDJDZ-NWDGAFQWSA-N 396.415 -0.506 30 20 GBED C=C[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 465344004 OKHFMBMSAQNABE-LLVKDONJSA-N 380.426 -0.564 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)c1ncccc1O 490371041 TVAGGQXTNMQMBJ-GFCCVEGCSA-N 381.396 -0.084 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)[C@@H](C)O)CC3)CC2)o1 498928179 XEXODXHKAFKJMX-CYBMUJFWSA-N 390.444 -0.972 30 20 GBED COc1ccccc1CCNC(=O)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 499647673 QYNQKZYRRXKJKG-AWEZNQCLSA-N 382.442 -0.587 30 20 GBED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C 502041982 JLPINFFZKDRMFH-UHFFFAOYSA-N 375.454 -0.774 30 20 GBED N#CC1(NS(=O)(=O)c2cccc(S(=O)(=O)NC[C@@H]3CNC(=O)C3)c2)CC1 569988979 SMEKKBILWXALHN-NSHDSACASA-N 398.466 -0.565 30 20 GBED COC[C@@](C)(C#N)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1 594315155 UULNGNFAOKNDJH-DUVNUKRYSA-N 385.417 -0.006 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCc4cnc(N)nc4C3)CC2)o1 598947796 NCBKZINPMXFXET-UHFFFAOYSA-N 382.428 -0.066 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 599259556 ZNBVSAKHFIWSBV-JTQLQIEISA-N 392.401 -0.111 30 20 GBED N#CCCN1CCN(C(=O)C(=O)NC2CCN(C[C@H]3CCOC3)CC2)CC1 602247203 QKXUYKHCANUEKP-MRXNPFEDSA-N 377.489 -0.339 30 20 GBED S=C(NCCN1CCOCC1)NN=C1CCN(CCN2CCOCC2)CC1 731557707 XIZYKJCWADUXFX-UHFFFAOYSA-N 398.577 -0.433 30 20 GBED N#C[C@H](C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)C(=O)N1CCS(=O)(=O)CC1 732909079 XSFCYGPKKDHZNJ-TZMCWYRMSA-N 393.421 -0.406 30 20 GBED C[C@@H](CC(=O)OCC(=O)N1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 744112691 UEYUUMXALRLQLC-LBPRGKRZSA-N 395.437 -0.094 30 20 GBED CN1C(=O)CN(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 776199609 DWBLCYDSPLVIFB-UHFFFAOYSA-N 377.426 -0.284 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)CC1 831568277 DHCCLQMSWUPPFO-NSHDSACASA-N 398.407 -0.699 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCOc2ccc(F)cc2)CC1 892018461 FSJLDLPQAQIESZ-UHFFFAOYSA-N 384.433 -0.001 30 20 GBED C#CCN1CCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)C1 923573157 JPYLGLYNQVBZTG-DZGCQCFKSA-N 381.502 -0.082 30 20 GBED C#CCN1CCC(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@@]23COC[C@@H]2C3)CC1 960492911 YEPRDLMHTIPKSZ-UGNRZPKXSA-N 387.480 -0.194 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C[C@@H]2O)nn1 963311086 VZUUOVOESHLJLP-PLPKTUSISA-N 375.429 -0.419 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2nc(C3CC3)nn2C)C[C@@H]1O 970711598 IJXHPCYDAMQEMU-KBXIAJHMSA-N 389.456 -0.486 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@H]3OCC[C@H]3C(C)C)C[C@H]2O)nn1 1023771574 WQFUVIBIPPWZCF-XNISGKROSA-N 377.445 -0.173 30 20 GBED C#CCNC(=O)CN1C[C@@H](C)[C@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 1102089030 DMRSDWDNYUZJCS-GBOPCIDUSA-N 391.390 -0.234 30 20 GBED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cnnc1O 1109168431 XPNNAVLJIBLNAJ-RDBSUJKOSA-N 375.433 -0.533 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccnc2nc(C)nn12 1111272437 QXIZYSYJONABEV-MYPMTAMASA-N 381.440 -0.094 30 20 GBED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C)C2=O)cc1 1118245998 OOUJPLRNWDZCHB-SMDDNHRTSA-N 392.437 0.000 30 20 GBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1118324185 MGXFADWSFIHPAD-HUUCEWRRSA-N 390.415 -0.046 30 20 GBED C=CCn1c(-c2cn(CCO)nn2)nnc1N1CCN(CCOCC)CC1 1121632015 BYCJGSDXDGWXHJ-UHFFFAOYSA-N 376.465 -0.127 30 20 GBED N#CCN1CCC(NC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 1321838816 MVQNEDZZJTXQOB-GOSISDBHSA-N 395.529 -0.585 30 20 GBED CO[C@@]1(CNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCOC1 1322491245 PIHCZINRUGJHCD-LJQANCHMSA-N 387.440 -0.040 30 20 GBED CCN(C)C[C@H]1CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1322696563 YIRWDJAENOMGPB-JFVSRZABSA-N 377.445 -0.571 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCCNC(=O)c2ccc(F)cc2)C1 1326129880 ZCDVJASDQNQSDF-GOSISDBHSA-N 376.388 -0.061 30 20 GBED CCOC[C@@H]1CCCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1328818965 YJZRUNQBDXZFNC-UWZWCOGJSA-N 378.429 -0.096 30 20 GBED CS(=O)(=O)N1CCC(CC(=O)NS(=O)(=O)c2cncc(C#N)c2)CC1 1329054583 LFTWUKMRNPXEGX-UHFFFAOYSA-N 386.455 -0.180 30 20 GBED C=CCN(C(=O)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1)[C@H](C)COC 1329952282 PATHOPSDFBBKQC-HZPDHXFCSA-N 380.489 -0.294 30 20 GBED C=CCN(C(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O)[C@H](C)COC 1350166368 GADCFNHAPUPEDC-CYBMUJFWSA-N 399.469 -0.119 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H](C)OCc2cnn[nH]2)C1 1574985378 BNYUSKRGXKRUQK-INMHGKMJSA-N 388.472 -0.085 30 20 GBED C=CCCn1cc(C(=O)N(C)[C@H]2CCN(CC(=O)NCc3cnn[nH]3)C2)nn1 1575099711 BWYULOBWLLQEDB-AWEZNQCLSA-N 387.448 -0.565 30 20 GBED COCC#CCN1CCC(N(Cc2cnn[nH]2)C(=O)CCc2cnn[nH]2)CC1 1576952635 ITKVWPMBHLXWJO-UHFFFAOYSA-N 386.460 -0.002 30 20 GBED C#CCNC(=O)CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1C 1588354757 YIEQSQHRMYZTBC-PWSUYJOCSA-N 384.400 -0.947 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1O 1588505825 XYNXVOGXZAMJTJ-WQGACYEGSA-N 378.458 -0.083 30 20 GBED CC(C)C#CC(=O)N(C)CCN1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 1589380182 ORWNADHRXYKJPV-UHFFFAOYSA-N 383.460 -0.104 30 20 GBED C[C@H](NCC(=O)NCC#N)[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1589957213 BUPOJNAUYNJMEU-NWDGAFQWSA-N 385.432 -0.335 30 20 GBED N#CCSCC(=O)NCC1[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@@H]12 1592679692 ZMZHZYXSTPXBCJ-QWRGUYRKSA-N 386.441 -0.114 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@H]2CCN(c3cnc(-c4nn[nH]n4)cn3)C[C@H]2C1 1602724831 HGKIDPXYXCACPX-MJBXVCDLSA-N 382.428 -0.020 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCNc1ncccc1-c1nn[nH]n1 1604274119 IVAHUUXQAIZYQD-NSHDSACASA-N 379.450 -0.010 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1778968589 UNHKRXHNJNBBDM-KDOFPFPSSA-N 377.445 -0.168 30 20 GBED COC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010621 DZOLNCSCBDSUBZ-FZKQIMNGSA-N 380.397 -0.459 30 20 GBED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783558832 ZUHHRTNGMKLAJP-LPMFXHHGSA-N 392.408 -0.506 30 20 GBED CN[C@H](CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1)C(=O)O 1783681739 LCINPNOTLHZUKJ-FQUUOJAGSA-N 380.445 -0.421 30 20 GBED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOC4=O)[C@H]3C2)CC1 1784279150 GYCLCZMNUMJPEU-IHRRRGAJSA-N 376.413 -0.278 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnn3)C[C@@H]21 1784480258 UJYRDFIZNDMSOJ-VGWMRTNUSA-N 375.429 -0.704 30 20 GBED CCNC(=S)NCC(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785369497 MOTVGIDOBNLNEW-SFHVURJKSA-N 393.513 -0.006 30 20 GBED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccncc4=O)[C@H]3C2)CC1 1790581917 REHOGJMRRZKKBL-KKUMJFAQSA-N 385.424 -0.473 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2 1793362443 SIOFBYFQUCXOCO-HGTKMLMNSA-N 388.486 -0.398 30 20 GBED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)ccc1F 1800778524 GQKXLLZNNIDSMH-YVWYUNDQSA-N 399.378 -0.083 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1808269581 PAVSVYXHDDSURQ-LUKYLMHMSA-N 389.500 -0.054 30 20 GBED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC[C@@H](N)C(N)=O)CC2 1826015207 JITAIUFZMMWIIP-DJLDLDEBSA-N 385.515 -0.034 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1831391173 JJVAFUBIRKKINU-BEFAXECRSA-N 390.440 -0.472 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1831499906 VYYJGFKDBNCELA-CRAIPNDOSA-N 385.530 -0.041 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1834768724 LSMPJMFTSNPORD-AUUYWEPGSA-N 387.440 -0.115 30 20 GBED CN(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1834940085 WVEUWNSYZICOAQ-IBGZPJMESA-N 395.504 -0.714 30 20 GBED COCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834972655 ZNGXZNNLBYSDQI-GMCOFOQGSA-N 399.444 -0.382 30 20 GBED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)n1ccnn1 1835362306 KYOFRNFOUVIZEU-WMLDXEAASA-N 376.417 -0.401 30 20 GBED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1835844065 DBNINSMJOLPYJO-QGZVFWFLSA-N 378.473 -0.658 30 20 GBED N#CCC(=O)N1CCC(OC2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1837073981 JZNLNFAYIRHIGD-UHFFFAOYSA-N 391.428 -0.550 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncon3)C2)C1 1837399548 VZDJKYDCNHYPPK-SCLBCKFNSA-N 394.428 -0.287 30 20 GBED COCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489883 XIBPAIZVCYIVKC-HXUWFJFHSA-N 394.468 -0.212 30 20 GBED N#CCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1837635289 ZJXUHAGWEUUDIX-LJQANCHMSA-N 394.472 -0.451 30 20 GBED CN(C)C(=O)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1837814625 XIKPNEWMWBGEOV-UHFFFAOYSA-N 379.413 -0.839 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1838331624 ISDIRSZZBJBFMS-FQEVSTJZSA-N 385.420 -0.197 30 20 GBED C[C@@H](NC=O)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838639254 ARGQZJOLTHMJKP-CYBMUJFWSA-N 379.413 -0.793 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1840041134 SSDBLNHZDFWVPM-CQSZACIVSA-N 396.293 -0.569 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1840158345 JPOHYXHOTDNNGZ-ACJLOTCBSA-N 395.481 -0.226 30 20 GBED CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1840200257 BJWDMCQFSSNNRX-WWGRRREGSA-N 392.543 -0.125 30 20 GBED CN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 68972675 KGASWPFHPYDMRW-UHFFFAOYSA-N 381.414 -0.117 30 20 GBED Cn1c(N)c(C(=O)CN2CCN([C@H](C#N)c3ccccc3)CC2)c(=O)n(C)c1=O 174578994 LIJMRTVWFWQMPJ-OAHLLOKOSA-N 396.451 -0.269 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)c3ccc(C)cc3C2=O)CC1 265087055 YWIWZBFTJCBQCL-UHFFFAOYSA-N 396.447 -0.125 30 20 GBED C[C@H](O)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 275124762 IUVIRLCGPRBLKF-UONOGXRCSA-N 380.470 -0.250 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)NCC(=O)N3CCOCC3)C2=O)cc1 277077900 CBNCEJKIODQTNK-INIZCTEOSA-N 385.424 -0.183 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 292252510 DOWQXNXOKUQTPA-UKRRQHHQSA-N 392.456 -0.967 30 20 GBED Cn1cnc(S(=O)(=O)NCC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 292524572 YYYKBCHCTYBZCD-CYBMUJFWSA-N 390.425 -0.355 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1C[C@@H](C)S(=O)(=O)[C@H](C)C1)c1cc[nH]n1 292602944 WTQUQSUMRMGKJU-RYMPHZRMSA-N 386.430 -0.273 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC(O)(C(F)F)C1 349467712 NYDLZHXWMUIVJQ-VIFPVBQESA-N 375.419 -0.808 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](N2CCNC2=O)C1 363445197 JUJYSBXZPGNLFW-LBPRGKRZSA-N 391.453 -0.259 30 20 GBED N#CCNC(=O)CNC(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 377030575 ICUSKQDRJBDMQT-INIZCTEOSA-N 384.440 -0.241 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@H]4CCN(C)C[C@H]43)CC2)c1C#N 410981319 NTKUOXOMURVZED-NVXWUHKLSA-N 399.499 -0.199 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCn2c(O)nnc2C1 440797993 ZTUNQLJPMSMZOC-UHFFFAOYSA-N 386.368 -0.139 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCn4cnnc4C3)CC2)c(F)c1 460075407 IEJRRDNBBXGLAR-UHFFFAOYSA-N 383.387 -0.020 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@H](C)O[C@@H](CO)C1 470926689 SBYNBUGOLMOPMT-GXTWGEPZSA-N 384.396 -0.006 30 20 GBED N#Cc1cccnc1N1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)CC1 500329212 UOGOWGWVIRMEPS-UHFFFAOYSA-N 385.471 -0.950 30 20 GBED CCOC(=O)c1ccc(N2CC(NC(=O)NCCn3cnc(C#N)n3)C2)nc1 501876991 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GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(C(=O)O)ccc1O 771890080 NKOZKGZTOQVAHT-UHFFFAOYSA-N 396.381 -0.810 30 20 GBED COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1cnn(CC#N)c1 785279574 CXBFATQDQPSGLU-FDYHWXHSSA-N 389.368 -0.703 30 20 GBED C#CCNC(=O)CN1CCN(Cc2noc(CNC(=O)OC(C)(C)C)n2)CC1 800337975 HEQMICHBXDDFHC-UHFFFAOYSA-N 392.460 -0.039 30 20 GBED CCN1CCO[C@@H](C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 805478631 XGURYFPYBMCWGA-OAHLLOKOSA-N 391.428 -0.233 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)[C@@H]1CCCO1 812982692 YCAJELOBJAUOGJ-IRXDYDNUSA-N 384.436 -0.146 30 20 GBED N#Cc1cc(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)ccc1-c1nn[nH]n1 822823745 YMUBGQMCULMZAD-QHSBEEBCSA-N 393.363 -0.161 30 20 GBED COC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 831067505 SLRAVSMLARIFLQ-BXKDBHETSA-N 383.382 -0.642 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2)CC1 831556112 HTYDPPQFGOKHNI-UHFFFAOYSA-N 384.845 -0.110 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C2CC2)cc1 848931690 GDKWLQUBKWVYHC-MRXNPFEDSA-N 397.478 -0.117 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(OC)C1 848955770 CGPAKTFLJCPKED-UHFFFAOYSA-N 383.451 -0.147 30 20 GBED C[C@@H]1CC(=O)C[C@H](C(=O)NCC#CCN(C)C)[C@H]1C(=O)NCC#CCN(C)C 913521976 VFDDXEOUNRAUIV-NEWSRXKRSA-N 388.512 -0.420 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC2(C(F)(F)F)CCOCC2)CC1 932312988 REJSHXFQJRDHFS-UHFFFAOYSA-N 398.407 -0.107 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)Cn3ccccc3=O)C[C@@H]21 960975268 OKPCRPKSROVEER-LTIDMASMSA-N 387.436 -0.122 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(=O)NC)nc2)C[C@@H]1O 970701893 IVUWVLJQBKHVQK-OJLVUWQFSA-N 388.424 -0.666 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2c(C)ncnc2O)C[C@@H]1O 970702244 NQIPBYRIGZSFRR-WCVJEAGWSA-N 390.440 -0.298 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]21 976581259 OXDDEFZAURRBEY-RMCNWUJSSA-N 391.468 -0.036 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(C(N)=O)s2)C1 1024659867 XYIFAWSUMJUKHN-KKOKHZNYSA-N 379.438 -0.260 30 20 GBED C[C@@H]1[C@H](C(=O)N[C@@H]2CN(c3nccnc3C#N)C[C@@H]2n2ccnn2)CCN1C 1051472718 VCCJIPBBNYYRLZ-XOUADPBQSA-N 381.444 -0.174 30 20 GBED Cn1c(CN2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2cc(C#N)c[nH]2)cc(=O)n(C)c1=O 1096927867 SHNRZDDWQRTYGI-XPKDYRNWSA-N 382.424 -0.181 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCCCOC)nn1 1109814023 ICFUUFNSWYJVAM-YCPHGPKFSA-N 376.461 -0.048 30 20 GBED C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCNC(=O)C1 1110366296 OMBCFMHWNJQFQN-JJXSEGSLSA-N 378.473 -0.353 30 20 GBED CN(CC[C@H]1CCCCN1C)C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1117318650 YHIXQIHRSXYDBV-UVTIVQHFSA-N 391.472 -0.038 30 20 GBED COC[C@H](CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1117589845 NKKAFVDTCWZCJX-ZDUSSCGKSA-N 378.433 -0.974 30 20 GBED CC(C)(C)N1C[C@@H](CNC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1=O 1119084539 WHTBMHYSGYNLQH-HIFRSBDPSA-N 375.473 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C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC([C@H](O)C(F)(F)F)CC1 1323996413 AAKBZAZIUYMMDW-NSHDSACASA-N 386.392 -0.135 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccnc(C)n2)CC1 1329815857 XQEIFDXRLQUUST-UHFFFAOYSA-N 381.458 -0.849 30 20 GBED CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCc2ccc(C#N)cc2)CC1 1336383936 QGJZNEYZJALMBJ-UHFFFAOYSA-N 378.454 -0.289 30 20 GBED Cc1cc(NC(=O)C(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)nn1CCC#N 1337212115 KIVUFOULSZPBNS-CHWSQXEVSA-N 376.417 -0.204 30 20 GBED C=CCn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1[C@]1(O)CCOC1 1342442624 JLLMKWHMVTZYEV-SFHVURJKSA-N 376.461 -0.527 30 20 GBED N#Cc1cncn(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c1=O 1347319143 CDBAUPOUQGRFDM-UHFFFAOYSA-N 381.392 -0.096 30 20 GBED C#CCNC(=O)CN1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(-c2cnn[nH]2)cn1 1575005184 WWGKGZDULXCVKX-GASCZTMLSA-N 379.424 -0.095 30 20 GBED C=C[C@](C)(O)CC(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3CCCN3Cc3cnn[nH]3)[C@H]2C1 1575071682 BAGRTTBWSFDFLJ-QHNLCMDKSA-N 388.472 -0.331 30 20 GBED CN(C[C@@H](O)CN(C)c1nccnc1-c1nn[nH]n1)C(=O)c1ccc(C#N)[nH]1 1579031157 KVKSINDFPPVRSF-NSHDSACASA-N 382.388 -0.574 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2O)nn1 1588712793 DIATYVVXMUMJRX-ZBFHGGJFSA-N 395.427 -0.381 30 20 GBED C#CCN1CCN(C(=O)CN(C)C[C@@H](O)c2cccc(-c3nn[nH]n3)c2)CC1 1602721806 XFTVFDWKMBKHGK-QGZVFWFLSA-N 383.456 -0.391 30 20 GBED C#CCN1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C(=O)OC)CC1 1602722293 KQZWWWYLDSTRNI-UHFFFAOYSA-N 390.425 -0.407 30 20 GBED COC(=O)[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C[C@H]1C(=O)O 1606425607 LRHXQYRRXTWSBE-KFWWJZLASA-N 380.445 -0.516 30 20 GBED COC(=O)c1cccc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)O)c1C#N 1606616410 JIJZQMXUFZGFNU-FZMZJTMJSA-N 386.364 -0.076 30 20 GBED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ncn(C)n1 1750967022 PVKGZGFEBNVVIR-CQSZACIVSA-N 398.475 -0.230 30 20 GBED CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010327 KNMJUSTWLPRAJX-XNWVLMOPSA-N 379.457 -0.038 30 20 GBED N=C(N)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1786804657 QBPCZJKCPAUUNQ-ULQDDVLXSA-N 383.452 -0.499 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CNC(=O)C3)[C@H]2C1 1790860340 WEMATQNAOCGRKH-LEOABGAYSA-N 394.472 -0.097 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)ncn1 1793486748 CCKXEJNWCVIKQA-JFILPPLUSA-N 376.413 -0.024 30 20 GBED CN(C)C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1795464296 MZKDSPUQJQZEGB-SCAQPMJSSA-N 391.468 -0.637 30 20 GBED CC[C@H](NC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1795721883 RNHSZPKQUGKGFF-FZKCQIBNSA-N 379.505 -0.144 30 20 GBED Cn1ncc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)cccc21 1797089820 QHUWUDRTSWAYKZ-DBWKPXFBSA-N 396.403 -0.136 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2 1797703817 DHSUQHSZGPCTOO-HLPPOEQASA-N 396.488 -0.580 30 20 GBED CCc1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)s1 1800777306 PHOLZTFIDLQPQN-QHBPRCKVSA-N 377.422 -0.003 30 20 GBED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@](C)(O)CC(=O)O 1801008173 QLPUTGHBZIMEJF-GTYSZEQSSA-N 380.441 -0.005 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)C=CC2=O)C3)CCC1 1801984368 KERGZUFORJAMQA-FVCICTRLSA-N 386.408 -0.805 30 20 GBED N#CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1814493284 VVGKGNXMANJNCR-ZJUUUORDSA-N 378.458 -0.048 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)OC)CCO2 1829931943 TWFMZUKAHWFFQI-KXBFYZLASA-N 382.457 -0.094 30 20 GBED COC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830054223 IDEMEOFJIGQUEZ-GOSISDBHSA-N 381.429 -0.054 30 20 GBED CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338231 AFZHHGMZIHIXMW-LJQANCHMSA-N 392.456 -0.385 30 20 GBED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)nn1 1835359277 BEEFXFUWSGYRLB-SFHVURJKSA-N 389.412 -0.141 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cnnc3)cc1)CCO2 1835498467 HTVOUXRCFUGUNA-FQEVSTJZSA-N 395.419 -0.030 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)(C)C)CCO2)C1 1835609619 UWFFLXBOACMHPM-OXJNMPFZSA-N 395.500 -0.131 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1839807192 ORLINELAPSKUEP-HXUWFJFHSA-N 395.419 -0.030 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(F)c3)C2)C1 1840041630 YQJGLXUYSXOOJT-SFHVURJKSA-N 391.355 -0.621 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@]3(F)Cl)C2)C1 1840044328 UBHXYFDYEPPUAD-HFBAOOFYSA-N 388.779 -0.545 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)Cn1ccncc1=O)C2 1845189209 FPWVBLTZRNDQOP-UHFFFAOYSA-N 388.424 -0.044 30 20 GBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cc(=O)nc3sccn13)C2 1846196125 OMFDBLOPJOBWGG-UHFFFAOYSA-N 386.389 -0.339 30 20 GBED CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)cc2)CC1 264327910 BGLMLBJROBOKDK-KRWDZBQOSA-N 399.451 -0.307 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN([C@H](C)C(=O)NC(=O)NCC=C)CC1 298168075 XKDWCFWLIKRHOD-OKILXGFUSA-N 394.476 -0.595 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(/C(O)=N/Cc3ccnn3C)CC2)cn1C 330088212 UMPTUSNWMWGAPM-UHFFFAOYSA-N 381.462 -0.117 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 349482016 QCEZNLYEGIJWKG-YYFFNPIBSA-N 397.478 -0.122 30 20 GBED C[C@@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N[C@@]1(C#N)CC1(C)C 349529194 ZFNCWQGYNYFQJP-BXUZGUMPSA-N 392.503 -0.862 30 20 GBED C[C@H]1CN(C)C(=O)CN1S(=O)(=O)CCCCS(=O)(=O)N(C)CC#N 349607686 GCABJTSZDLNVHU-LBPRGKRZSA-N 380.492 -0.956 30 20 GBED CCn1ncc(C#N)c1NS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 438237875 JAPGBWWNDUOHAW-UHFFFAOYSA-N 375.370 -0.077 30 20 GBED C=CCOC[C@@H](NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1)C(=O)OC 451380593 DVXVGBDXTAPPOQ-SNVBAGLBSA-N 381.410 -0.227 30 20 GBED C=CCC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 456752225 BFHCNJTZRPAIRV-AWEZNQCLSA-N 381.454 -0.136 30 20 GBED COC(=O)CN(CC#N)CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 485080325 XRKQBTJUSZCCPO-KBPBESRZSA-N 387.458 -0.820 30 20 GBED CCN1CCN(CCNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 498292284 WGBGLMJPEQZMPU-UHFFFAOYSA-N 393.513 -0.068 30 20 GBED CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 510361301 IOGNVWVJVQYHSB-CQSZACIVSA-N 396.535 -0.162 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O 511344062 ONFCSXVNKNHXMW-UONOGXRCSA-N 396.535 -0.209 30 20 GBED C=CCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 532718181 CBEVYJLZSCMSCG-CYBMUJFWSA-N 387.483 -0.052 30 20 GBED N#CCCC1CCN(C(=O)C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CC1 563139664 BJPXZBSMQYEETJ-INIZCTEOSA-N 375.473 -0.048 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H](N3CCNC3=O)C2)c1 563783675 NOKREMSDIJTRGG-AWEZNQCLSA-N 391.453 -0.147 30 20 GBED C[C@H]1CCN(C(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C[C@@H]1C(=O)O 566855937 PTTZZIBROBEFGE-JQWIXIFHSA-N 376.417 -0.176 30 20 GBED C[C@H](C[S@](C)=O)NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 579517514 XKKZCRUAGMLWTJ-MZTWVUCYSA-N 390.465 -0.341 30 20 GBED COCCO[C@H]1COCC[C@@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 583471991 MDNLWOZMUKYLFO-HOTGVXAUSA-N 397.453 -0.227 30 20 GBED COC(=O)[C@](C)(CO)NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 595531909 LYIBYTVQMKGMEA-GUYCJALGSA-N 380.470 -0.029 30 20 GBED CNC(=O)c1cc(O[C@@H]2CCCN(c3c(C#N)c(=O)n(C)c(=O)n3C)C2)ccn1 599106469 JFCBNHJHPRQXBP-CYBMUJFWSA-N 398.423 -0.242 30 20 GBED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)OCC(=O)NCC#N)CC2)c1 731246546 VHAKEVQVENREEP-UHFFFAOYSA-N 394.453 -0.370 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(OCCOC)c2)c1=O 758068777 OLMVYCVNVZUQNT-UHFFFAOYSA-N 397.456 -0.183 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N1CCOCC1 766349117 HKQQNKFLWCSQNS-GFCCVEGCSA-N 381.410 -0.373 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2c[nH]nc2-c2cccs2)c(=O)n(C)c1=O 771893321 ZCNTZKGJCAOXCX-UHFFFAOYSA-N 394.438 -0.152 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[C@H]1CCCO1 773786825 KXCSYUVDJXNEDC-LSDHHAIUSA-N 375.429 -0.549 30 20 GBED C#C[C@@H](NC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1)[C@H]1CCCO1 773795340 NSDUTNDSYZNISX-HUUCEWRRSA-N 384.392 -0.026 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(CC[S@](C)=O)CC2)CC1 774684258 WIESHPZMFZBKRY-QUGAMOGWSA-N 383.562 -0.325 30 20 GBED N#Cc1c(F)cccc1C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 778370972 JFRBOUFGNLBVJJ-SECBINFHSA-N 383.357 -0.133 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N1CCN(c2ncccc2C(N)=O)CC1 783305609 XLJQERYDCGIQIB-UHFFFAOYSA-N 381.458 -0.387 30 20 GBED C#CCN(C)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 802577087 JKYSTDXKLZUCSD-UHFFFAOYSA-N 383.401 -0.123 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N2CCNC2=O)cc1 811833507 FRJXHARXUZXCRP-LLVKDONJSA-N 379.394 -0.305 30 20 GBED C#C[C@H](C)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N=c2nc[nH]n2C)cc1 848552577 DOKYNODXYWDZAH-NSHDSACASA-N 383.455 -0.320 30 20 GBED C#CCN(CC(=O)O)S(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 849219495 YVXQCUOTXUECTI-UHFFFAOYSA-N 394.496 -0.062 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CNC(=O)c2nnc(O)nc2O)C1 994349348 VVJFCJBONPWPOK-KKOKHZNYSA-N 377.401 -0.302 30 20 GBED C=C(Cl)CN1CCN(C(=O)[C@H]2OCCO[C@H]2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1094638266 OPWFRUFIKXJZPL-FQUUOJAGSA-N 378.878 -0.147 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCCNC1=O 1110694911 RWRSFLLXQAGTBS-SYQHCUMBSA-N 377.445 -0.754 30 20 GBED Cc1nn(C)c(N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1C#N 1116734457 UHJUMQRJRLPDLD-ZDUSSCGKSA-N 380.474 -0.975 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@]2(C)CCO[C@@H]2C2CC2)CC1 1120051674 BJVUYXUXDKCGFW-NVXWUHKLSA-N 384.502 -0.014 30 20 GBED C=CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)[C@H](OC)C1 1213555546 SFHDSKFCSWMYNL-YFHUEUNASA-N 391.472 -0.594 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N2CCC(CN3CCOCC3)CC2)CC1 1258235175 USPWYGRJGNXYTD-UHFFFAOYSA-N 377.489 -0.339 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC(CN3CCN(C)CC3)CC2)nn1 1261449009 NQCQMJAEURZLMZ-UHFFFAOYSA-N 389.504 -0.434 30 20 GBED COC(=O)[C@@H]1CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1261697470 NMSLVUAQADAOFY-PPIUEQTRSA-N 392.412 -0.713 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 1324488329 CFTNIHWORVDUEM-QGZVFWFLSA-N 389.452 -0.534 30 20 GBED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1341067454 NAFVKUYXHWJMTF-GFCCVEGCSA-N 380.426 -0.097 30 20 GBED N#CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 1342716143 ZFUJXGZZILDYCA-UHFFFAOYSA-N 376.398 -0.146 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCC(NS(=O)(=O)CCC)CC1)[C@@H]1CCCO1 1343081108 SHYGVUQDQDPXTK-CABCVRRESA-N 385.486 -0.396 30 20 GBED C=CCn1c([C@@H](O)COC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1352171414 LVNYVBDOTUCPLN-HIFRSBDPSA-N 378.477 -0.067 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1565049695 IMHQWZSOOIQADV-LSDHHAIUSA-N 379.442 -0.403 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1 1573311317 MLIXSSMIOFGYKW-UHFFFAOYSA-N 387.439 -0.841 30 20 GBED C#CC[C@@H](COC)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588333869 GWKXLTZWWIHNOC-YPMHNXCESA-N 392.441 -0.312 30 20 GBED C#CCOCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588363569 OAPVMHZQSHLSKW-NSHDSACASA-N 378.414 -0.701 30 20 GBED C#CCN1CCC(C(=O)NCCCN(C)c2cnc(-c3nn[nH]n3)cn2)CC1 1602718132 NTEFZHHRHRHRIY-UHFFFAOYSA-N 383.460 -0.056 30 20 GBED N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)N2CCOCC2)CC1 1698490122 KXZLVBIUONUNJW-AWEZNQCLSA-N 387.444 -0.172 30 20 GBED C[C@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066714 CHAHORPOBBFOBS-OXJNMPFZSA-N 391.468 -0.351 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC=O)C2)C1 1781253032 VNDOIXSBRNOXQJ-KDOFPFPSSA-N 381.429 -0.540 30 20 GBED CSCC[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015634 UJGNFEIRMZCLRR-HBUWYVDXSA-N 398.481 -0.298 30 20 GBED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)CN4CCOCC4)CCO3)C2)CCC1 1785365723 PXDOKBYPYNWUMZ-IBGZPJMESA-N 376.457 -0.158 30 20 GBED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=N)N)C[C@@H]32)cc1 1789570694 KFZVBCNCMDZTMU-JYJNAYRXSA-N 384.440 -0.365 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)cnc1O 1792390846 VFMRMRLNNZKPNQ-KEODLESXSA-N 393.783 -0.268 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=S)NCC)C2 1793361496 PAUKKCPNEBISEK-HGTKMLMNSA-N 398.529 -0.349 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(C)(=O)=O 1795787091 ZTPHXAIJAXBVAX-LDPDCKCHSA-N 383.470 -0.472 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc(O)nc2O)c1 1796347188 JJUHABBNEXKSQW-GNXNZQSNSA-N 398.379 -0.395 30 20 GBED O=C1C[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)CN1 1797839436 HCEJYDBEFZWIII-GZDTULRASA-N 388.424 -0.576 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCNC(=O)C2)c1 1801067752 QADORTZPFVDVDZ-VWPFQQQWSA-N 385.424 -0.384 30 20 GBED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2)n1cncn1 1801359261 PGWHYXDRGZFGJZ-OEYIWLLWSA-N 383.412 -0.058 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)n4cnnn4)C3)C2)C1 1829675055 OPNWIOVZBDAOCH-RDTXWAMCSA-N 390.444 -0.343 30 20 GBED CC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1830521709 UDKFVAPJPVPTJI-AZSZKOAISA-N 396.488 -0.315 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835346481 COWDWVATXRDXOC-SCLBCKFNSA-N 378.429 -0.729 30 20 GBED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)n1cncn1 1835347632 AECBALZQWPYXSO-RDTXWAMCSA-N 388.428 -0.401 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1840157327 LOIWNJLDJQMTIZ-LRDDRELGSA-N 388.490 -0.968 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1840164091 XUFRAMOAKNOLCU-XEZPLFJOSA-N 383.474 -0.386 30 20 GBED COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812742 INGMJEUBDUBHQD-LJQANCHMSA-N 395.456 -0.200 30 20 GBED CC/N=C(/NC[C@@H]1CN(C)CCN1C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 261714110 HOYGQJLKTWWXOC-BEFAXECRSA-N 393.536 -0.492 30 20 GBED CCNS(=O)(=O)[C@@H]1CCN(/C(=N\C(C)C)NC[C@@H]2CCS(=O)(=O)C2)C1 262363163 HERROHKOFSFHQW-UONOGXRCSA-N 394.563 -0.211 30 20 GBED C[C@@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccc(C#N)cc1 284149488 XEXGFJRYCXBROP-CYBMUJFWSA-N 397.435 -0.315 30 20 GBED C[C@]1(C(N)=O)CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 289170394 VCQLXESIMFCRRV-YWZLYKJASA-N 397.435 -0.106 30 20 GBED C=CCCOCCNC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 289367319 JBHAJZYTOMIBQA-UHFFFAOYSA-N 380.489 -0.148 30 20 GBED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C/N=C(/O)c2cccnc2)CC1 330160455 RDHBZCRXPWTJRB-HNNXBMFYSA-N 389.456 -0.222 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CC(=O)NCC1(C)C 349619044 OWXQLSHUMCXXSV-NSHDSACASA-N 380.492 -0.862 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 378195476 XBHIUBQEZREXHD-OAHLLOKOSA-N 386.518 -0.766 30 20 GBED C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 410803284 WSPLBXCXQCVYHN-OAHLLOKOSA-N 386.456 -0.873 30 20 GBED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H]3CNC(=O)C3)C2=O)cc1 422390989 STERCTGFYSMSEK-ZFWWWQNUSA-N 383.408 -0.578 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1C[C@H]2[C@H](N)CCC[C@H]2C1 423540978 KHISVVRPAMMKHF-QKPAOTATSA-N 397.483 -0.029 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCn2c(O)nnc2C1 438450818 GLBROIKCNVFGQL-SNVBAGLBSA-N 376.398 -0.435 30 20 GBED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)n1 442264121 HQTDAUNUWFEMKW-QWHCGFSZSA-N 389.799 0.290 30 20 GBED N#CCC1(O)CN(C(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)C1 476829753 ZFPJMZSACCGCFZ-UHFFFAOYSA-N 385.467 -0.067 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O 477629973 VPKFLOUUAYBFSJ-GOSISDBHSA-N 393.444 -0.446 30 20 GBED CN(C)C(=O)CN1CCN(C(=O)CN2CCN(c3ccccc3C#N)CC2)CC1 507292997 OXINNBVOLOCXCU-UHFFFAOYSA-N 398.511 -0.087 30 20 GBED CN(C(=O)CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1)C1(C#N)CCCCC1 507937530 DHPVQUMCLGFKAC-HOTGVXAUSA-N 398.529 -0.553 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cn(CCO)c(=O)nc3O)C2=O)cc1 509724266 KXTFBBCJDNHGTE-OAHLLOKOSA-N 397.391 -0.262 30 20 GBED Cn1cc(C#N)c(=O)n(CC(=O)NCc2ccccc2CN2CCCC2=O)c1=O 534240879 MFIFASPVITYVLO-UHFFFAOYSA-N 395.419 -0.143 30 20 GBED CNC(=O)C(C)(C)CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 569763730 WZMZIHUXXGJTBJ-HNNXBMFYSA-N 399.451 -0.336 30 20 GBED C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN(C)C 570738939 OJZZKSNOTZKNPD-QWHCGFSZSA-N 395.485 -0.592 30 20 GBED C[C@@H](CC#N)NS(=O)(=O)c1ccc(S(=O)(=O)N=c2nc[nH]n2C)cc1 570986027 YNCLJXDRASCDIT-JTQLQIEISA-N 384.443 -0.382 30 20 GBED N#Cc1c[nH]c(=O)n(CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c1=O 575749907 ZJSLCBFHQOYZBO-UHFFFAOYSA-N 395.419 -0.312 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](N2CC=CC2)C1 576241311 WQXUGNJQXXEUBC-CQSZACIVSA-N 390.531 -0.126 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CC1 602244104 AICDFNMWWLSASS-IAGOWNOFSA-N 377.489 -0.196 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)N(C)c2ccccc2C(=O)OC)CC1 728686322 OQPXSULKBAXGDT-UHFFFAOYSA-N 386.452 -0.197 30 20 GBED C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F 735374989 QLMORNFCTNXFLU-LLVKDONJSA-N 399.429 -0.183 30 20 GBED C[C@H](CC(=O)N1CCN(CCO)CC1)/N=C1/NS(=O)(=O)c2ccccc21 743823440 NLYOKPKXNFGWDY-CYBMUJFWSA-N 380.470 -0.360 30 20 GBED N#CCCN(CCC#N)C(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745480257 DFBVXQLKKTVQSZ-CZPYZCIJSA-N 388.380 -0.652 30 20 GBED COCCS(=O)(=O)CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 757598213 LGRHNYGRHNYIOT-RYUDHWBXSA-N 375.447 -0.077 30 20 GBED C[C@@H](OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)NC1(C#N)CCC1 787581144 GGYLJTQEXIJIOD-LLVKDONJSA-N 378.410 -0.022 30 20 GBED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H]2CCCN(O)C2=O)[C@@H](C)O)cc1 820475955 DESXBXQHMMWCRT-BNOWGMLFSA-N 385.442 -0.481 30 20 GBED COC(=O)Cn1cc(CCSc2nc(N)c(-c3nn[nH]n3)cc2C#N)nn1 821663645 HVUGZPIYFNKACP-UHFFFAOYSA-N 386.401 -0.185 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(CC(=O)N(CCC#N)CCC#N)CC1 822597991 LAHKJCHRWOOSRF-UHFFFAOYSA-N 384.506 -0.153 30 20 GBED COCCCNC(=O)[C@@H](C)OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 831244059 WRKPBXDTZLNITL-LLVKDONJSA-N 383.426 -0.191 30 20 GBED C#CCN=c1nc(N(C)C[C@H]2COCCO2)[nH]c(N(C)C[C@H]2COCCO2)n1 853830073 LCUMBVMFECHSDV-GJZGRUSLSA-N 392.460 -0.958 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(F)C(=O)N(C)[C@@H]2CCN(CC=C)C2=O)C1=O 868015661 BOXMZMZJQIVDHR-ZIAGYGMSSA-N 394.447 -0.185 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCCCN2CCC(C)CC2)CC1 891625689 QDLPHAGDWFBWMT-UHFFFAOYSA-N 385.534 -0.097 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ncn(C(C)(C)C)n2)C[C@@H]1O 970706780 IHKIGTLICXMXOR-MQYQWHSLSA-N 377.445 -0.074 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1C 994081360 PSANWMPUJOYDNQ-VQHPVUNQSA-N 392.500 -0.390 30 20 GBED C=CCCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)nn1 1024379117 HGEQHPNKCCGXHS-ZNEHSRBWSA-N 385.428 -0.318 30 20 GBED O=C(C#CC1CC1)NCC1(O)CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1074668612 KCTWQIIERANKKG-XYJFISCASA-N 376.453 -0.079 30 20 GBED N#Cc1cccnc1N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)Cn1cncn1 1092847293 FSLPJOKVHIPWPG-ILXRZTDVSA-N 380.412 -0.413 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@@H](C)C(=O)NC(=O)NCC 1109167699 FTKUCUCPRUBUIL-CRWXNKLISA-N 377.445 -0.918 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC[C@@H]1CCS(=O)(=O)C1 1109171220 IYYHSJPPXINCJF-WCVJEAGWSA-N 381.498 -0.328 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccnc(-n2cncn2)c1 1111501684 USWDHGBZNNDATO-OAGGEKHMSA-N 379.424 -0.253 30 20 GBED COc1ccc(C(=O)NCCNC(=O)C(=O)NC2CCN(CC#N)CC2)cc1 1257298772 NNRURNHDKRGNDR-UHFFFAOYSA-N 387.440 -0.355 30 20 GBED CC#CCCNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 1258419863 GEHMPWKPGDKJDU-UHFFFAOYSA-N 381.454 -0.555 30 20 GBED CS(=O)(=O)C1(CNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CC1 1261172732 REHGJXWLPVZFKV-UHFFFAOYSA-N 390.465 -0.100 30 20 GBED CC(=O)NCC[C@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1261868388 JMBPEURTJCBQNR-NVXWUHKLSA-N 375.473 -0.050 30 20 GBED CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C(=O)N2CCC(C)(C#N)CC2)C1=O 1323798708 JKXRBXMSGQVWKD-SGTLLEGYSA-N 375.429 -0.025 30 20 GBED Cn1ncc2c(N3CCN(C(=O)C(=O)N4CC[C@](F)(C#N)C4)CC3)ncnc21 1325048020 MEOBBUVGQMHGCB-KRWDZBQOSA-N 386.391 -0.524 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)NCCS(=O)(=O)Cc2ccccc2)C1 1326114937 HQYIHTCEAWKHGY-QGZVFWFLSA-N 379.438 -0.405 30 20 GBED CO[C@H](CNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C1CCCC1 1328365766 YAZIEEUYQGKGFP-PQDJCJPTSA-N 378.429 -0.050 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC(N3CCCNC3=O)CC2)CCN1C1CC1 1332007608 WLSHQDDEIATFQI-MRXNPFEDSA-N 388.472 -0.409 30 20 GBED Cn1c(=O)c2ccc(C(=O)OCCOC3(C#N)CCOCC3)nc2n(C)c1=O 1343362540 XFPLLYVBEQHGFN-UHFFFAOYSA-N 388.380 -0.122 30 20 GBED CCN1CCN(CCNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 1347347756 ITOUHHDCTARCHR-UHFFFAOYSA-N 396.455 -0.169 30 20 GBED CS(=O)(=O)C1(CNC(=O)C(=O)NC2CCN(CC#N)CC2)CCCCC1 1350740983 XOICQYRBOHBCDG-UHFFFAOYSA-N 384.502 -0.046 30 20 GBED N#Cc1cn(CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c(=O)nc1O 1440676601 OWBZKQSWOIIZIQ-MRXNPFEDSA-N 383.408 -0.162 30 20 GBED CC(C)(CNC(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1COCC12OCCO2 1556980297 ZYIIIVPRRACCRW-LBPRGKRZSA-N 378.385 -0.648 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O 1573300897 WIEZCMIODQCFLO-MFKMUULPSA-N 375.389 -0.384 30 20 GBED CC(C)(C)C#CC(=O)NC[C@H]1CCC2(CN(CC(=O)NCc3cnn[nH]3)C2)O1 1575245147 ASJHSEYXYVPAIK-OAHLLOKOSA-N 388.472 -0.180 30 20 GBED O=C(C#CC1CC1)N[C@H]1COC2(C1)CN(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 1581912583 QAVNTCWUHRCOFL-GFCCVEGCSA-N 381.396 -0.292 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cncc(-c2nn[nH]n2)n1 1588351055 DFMFGTYRNIESEP-VRKREXBASA-N 393.455 -0.020 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@H](O)CNc1cccc(F)c1-c1nn[nH]n1 1588351188 IMWJJIFZQWTFPS-DOMZBBRYSA-N 387.419 -0.008 30 20 GBED C=CCNC(=O)[C@H](C)N1C[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C1 1588657231 IGXHOTPHFLYZRK-RWMBFGLXSA-N 384.444 -0.111 30 20 GBED Cn1ncc(-c2nn[nH]n2)c1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1592597161 CDHVKXJKSIZFJM-UHFFFAOYSA-N 399.440 -0.017 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)O)cc1 1601093792 GWHGHDFEHIXSBE-CYBMUJFWSA-N 379.394 -0.612 30 20 GBED C=CCOC(=O)[C@@H](N)CC(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2)CC1 1602866735 KFXQYOBNCRWBNL-HNNXBMFYSA-N 385.428 -0.038 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC(=O)Nc3cc(C(=O)O)ccc32)C1=O 1602894542 JMUBPOKPIYJHGP-UHFFFAOYSA-N 386.320 -0.353 30 20 GBED C=CCn1c([C@@H]2COCCN2C)nnc1N1C[C@@H](C(=O)O)[C@H](C(=O)OC)C1 1602931949 GDWCAPMYJQWCMH-UPJWGTAASA-N 379.417 -0.223 30 20 GBED C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCN1CCC(=O)O 1604769380 MOQWMZLRSVKXPQ-CYBMUJFWSA-N 394.453 -0.156 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(N2CCC[C@](CO)(NC(=O)C#CC3CC3)C2)n1 1605561536 ZDUVMLOJZWIOAN-SFHVURJKSA-N 382.428 -0.174 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779107470 VIPJLQGERGDPGM-RIYWLQNKSA-N 393.396 -0.567 30 20 GBED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783564151 GMCUVXDLLNOVMF-FZKQIMNGSA-N 379.413 -0.791 30 20 GBED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@@H]1NC(=O)NC1=O)CCO2 1783903069 FJNCEBPEUUJKSU-UGSOOPFHSA-N 376.413 -0.782 30 20 GBED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CN)C[C@@H]43)c2c1 1790327772 FODSVOPWOXMVQL-NOLJZWGESA-N 382.424 -0.013 30 20 GBED CCOC(=O)O[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1790610970 XTUAVHZCNMZQEE-RFGFWPKPSA-N 396.396 -0.384 30 20 GBED C=CC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1790830965 ICWRFBVZALINEG-OWSLCNJRSA-N 397.516 -0.535 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCn1cncn1)C2 1793346457 AQYYIOCZQWSLJC-PNBKFKSVSA-N 375.429 -0.704 30 20 GBED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[C@H]1SC(=N)NC1=O 1796428061 IBUYYYAFHFOHAW-KHQUWSPVSA-N 380.470 -0.045 30 20 GBED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2 1797783278 KMZGHBOVQFZOIW-MIFYACCESA-N 387.440 -0.294 30 20 GBED CN(C)C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797836928 BXVWSGQQJKFLEY-OEPJXZRUSA-N 376.413 -0.624 30 20 GBED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COCCO)C3)cc1 1799643450 INNISKYVCOVQOR-IZZQQSIFSA-N 387.436 -0.035 30 20 GBED O=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccccc2)C3)CN1 1800521212 JWJLMNMIDIRLQW-PDOICOKGSA-N 381.432 -0.236 30 20 GBED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1831466180 OBWIYYPBPKDFLL-IBGZPJMESA-N 394.472 -0.093 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832252309 WYAGBZHVGHWASP-CYBMUJFWSA-N 396.293 -0.569 30 20 GBED CC(=O)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)n[nH]1 1835353975 IEERHIPMDWYQQP-GOSISDBHSA-N 389.412 -0.014 30 20 GBED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835359324 DBUINJLIYVVNDH-MAUKXSAKSA-N 390.444 -0.326 30 20 GBED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)o1 1836019340 NKRUTRKCFJJVTH-GOSISDBHSA-N 391.428 -0.073 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1839844567 OACOAAKLZQNDJH-YJBOKZPZSA-N 377.445 -0.053 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSCC(=O)O)CCO2 1840194545 TUAWDDDCEPRDQA-KRWDZBQOSA-N 384.454 -0.326 30 20 GBED CO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840206423 VGPBBRMZQOJNAV-KXBFYZLASA-N 396.488 -0.240 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)Nc2cccc(S(N)(=O)=O)c2)c1=O 10851027 HBXYDPWVGIZGHD-UHFFFAOYSA-N 377.382 -0.812 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1CCN(C)CC1 268757906 YLPJDWPYYDCSBU-AWEZNQCLSA-N 379.486 -0.411 30 20 GBED CN1CCN(C(=O)C2CCN(/C(O)=N/CC(=O)N3CCOCC3)CC2)CC1 329295095 SJRPZKJKVRGMCB-UHFFFAOYSA-N 381.477 -0.755 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 349581587 VZCUJHNDBMFNNA-LOWDOPEQSA-N 379.504 -0.059 30 20 GBED N#Cc1ncn(-c2ccccc2NC(=O)C2CCN(S(N)(=O)=O)CC2)n1 366546382 USXSVRGHARAKNP-UHFFFAOYSA-N 375.414 -0.007 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 410132146 BSSYPLWRBHDISM-UONOGXRCSA-N 396.535 -0.209 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 420211461 XEIRXVOQKHXXTF-ZDUSSCGKSA-N 375.404 -0.549 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)NCc1cccc(C#N)c1 444606352 CSGZDWQKVJKABR-INIZCTEOSA-N 388.424 -0.445 30 20 GBED CNC(=O)Cn1nc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1C 517206913 LFNOZMVDITVRLT-UHFFFAOYSA-N 390.425 -0.274 30 20 GBED C=CCN(CC=C)C(=O)[C@H](C)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 517898402 GDBALIODIFHNSK-HNNXBMFYSA-N 376.457 -0.131 30 20 GBED Cn1nccc1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(N)=O)c1=O 524281066 DYJYYNFENGEUKQ-UHFFFAOYSA-N 387.465 -0.363 30 20 GBED CO[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)CC#N)cc2)C[C@H]1O 568244547 OWAIJBCNAIQEDM-ZIAGYGMSSA-N 389.455 -0.789 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC(=O)C2CC2)CC1 603593170 GBFUWSLYOJJCBW-UHFFFAOYSA-N 376.438 -0.083 30 20 GBED CC#CC[C@@H](CO)NS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O 645884365 CELYKODWGUFOOK-AWEZNQCLSA-N 394.449 -0.007 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)c(C(=O)O)c2)CC1 737492226 GNGDBMBAPUIICX-UHFFFAOYSA-N 397.428 -0.030 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCCCS1(=O)=O 784117483 GHKWYQACYCKSFX-NSHDSACASA-N 385.467 -0.191 30 20 GBED CCc1oc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1C(=O)OC 800813888 DCUKYMSEVVRFSR-UHFFFAOYSA-N 398.397 -0.662 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(C(=O)O)cs1 814883350 KKOPIYPHYZDAPJ-UHFFFAOYSA-N 386.411 -0.454 30 20 GBED COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 862824700 PDIFJSLTVITCRU-IYGFFZQVSA-N 393.396 -0.144 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1C 950861785 WIDMXXXGCVHJSY-CTASWTNQSA-N 377.445 -0.474 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1C 957761044 KTWBUABKXSWRFS-OEUWWYETSA-N 392.456 -0.127 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N2CCN(C(=O)[C@@]34COC[C@@H]3C4)CC2)C1 967220503 KZPFJOQEVHVCRY-FORWCCJISA-N 375.469 -0.031 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@H](c2cn(C)cn2)C1 993542708 CXORQQBKPNKXTF-VIRABCJISA-N 375.429 -0.703 30 20 GBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@@H]2CC(=O)NC(=O)N2)c1 996438583 QACNARMAEZAKAQ-QPSCCSFWSA-N 381.392 -0.477 30 20 GBED CCO[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1CN=c1cc[nH]c(C#N)n1 1047938510 HYTWCZFNMDASME-APIJFGDWSA-N 386.456 -0.230 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(Cc3ccccc3C#N)C[C@H]2O)O1 1077669681 GOGBYEVQZKEPDA-TVFCKZIOSA-N 386.452 -0.145 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NCC(=O)N2CCNC(=O)C2)[C@H](C)C1 1082518907 JHITZVNFIGDRCA-FPCVCCKLSA-N 378.473 -0.638 30 20 GBED CN(CC(=O)N1CCN(c2nccnc2C#N)CC1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1096913397 IDPFIBWGEJOGPC-DBMJBKLQSA-N 396.451 -0.121 30 20 GBED C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(CC(=O)NC)no1 1109272261 GJTPVKBMQTVSGU-RDBSUJKOSA-N 375.429 -0.381 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCc1nnc(O)nc1O 1109481759 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NIXYJDZJFAJPTI-VQHPVUNQSA-N 383.489 -0.330 30 20 GBED COC(=O)C1(NCC(=O)NCc2ccc(C#N)cc2)CCS(=O)(=O)CC1 1321200355 CUIMZBOIZWDFDE-UHFFFAOYSA-N 379.438 -0.116 30 20 GBED COC(=O)CN(C)CCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1324626456 BAEJXYLDNYUNHT-UHFFFAOYSA-N 382.442 -0.664 30 20 GBED CC(C)(C(N)=O)N1CCN(C(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1 1325917207 UEJRTGRANUUMCZ-UHFFFAOYSA-N 399.451 -0.444 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCC3(CC(N)=O)CC3)CC2)cc1 1326017794 GRZVCGNXIGHWMX-UHFFFAOYSA-N 383.452 -0.026 30 20 GBED CN1CCN(CC2(C)CCN(C(=O)C(=O)N3CC[C@@](O)(CC#N)C3)CC2)CC1 1327038591 IWBITHHTXJJKND-FQEVSTJZSA-N 391.516 -0.260 30 20 GBED Cc1nc(C#N)c(N2CCC(C(=O)NCCNS(=O)(=O)N(C)C)CC2)o1 1327105440 RCSOLYVCSKYEPN-UHFFFAOYSA-N 384.462 -0.417 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1328647478 JVNVGBLSKUNZFU-VHDGCEQUSA-N 377.422 -0.161 30 20 GBED CS(=O)(=O)CCCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1329217754 DWAHHOIMPFTCGZ-UHFFFAOYSA-N 393.469 -0.457 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 1329794093 BQPUVDSDGJQGJF-UHFFFAOYSA-N 399.513 -0.099 30 20 GBED CC[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[C@H](C)S1(=O)=O 1330434984 CVCKSPPHDYEJDV-NWANDNLSSA-N 382.486 -0.391 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 1332836184 CSXSEHLNLJVVAV-CQSZACIVSA-N 387.502 -0.197 30 20 GBED CC(C)CCNC(=O)[C@H]1CSCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1464851716 KEXANENQLMANAG-GFCCVEGCSA-N 379.442 -0.116 30 20 GBED N#Cc1cccnc1N1CC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H](O)C1 1571140807 UFBDKECFWUFZAR-GXTWGEPZSA-N 379.384 -0.169 30 20 GBED C#CCN1CCC(C(=O)NC[C@H](C)CN=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1573282245 HHQDAYRSVMEDMR-CYBMUJFWSA-N 383.460 -0.412 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]1CN=c1cc[nH]c(-c2nn[nH]n2)n1 1573285055 CKNVIGQSKRGABA-KGLIPLIRSA-N 381.444 -0.421 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@@H]2CCN(Cc3cnn[nH]3)C2)CC1 1575040138 XSEGKZZBYCITLV-MSOLQXFVSA-N 389.504 -0.006 30 20 GBED N#Cc1cn(CCNC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[nH]n3)c2)c(=O)nc1O 1581876713 DLVBDPVSRPDERG-UONOGXRCSA-N 392.379 -0.079 30 20 GBED C#CC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)O)CC2)C1 1588379287 BPHXLLSWUYOOQX-UHFFFAOYSA-N 392.433 -0.008 30 20 GBED C=C[C@](C)(O)CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1O 1588505824 XYNXVOGXZAMJTJ-HSMVNMDESA-N 378.458 -0.083 30 20 GBED Cn1ncc(C#N)c1N1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 1592597795 PHHNNGBBCUVRDD-UHFFFAOYSA-N 399.440 -0.017 30 20 GBED N#CCSCC(=O)NCCN1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 1592679606 VXQIDWGIKPCWBE-UHFFFAOYSA-N 388.461 -0.848 30 20 GBED CN(C[C@H](O)CN(C)c1ccc(C#N)nn1)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1604719686 GJKBMVIEQQBOSM-GFCCVEGCSA-N 382.388 -0.574 30 20 GBED CS(=O)(=O)[C@@H]1CN(c2cnc(-c3nn[nH]n3)c(C#N)n2)C[C@H]1C(F)(F)F 1605359431 YOMIYKRSRADFLP-HTRCEHHLSA-N 388.335 -0.060 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCC1 1751235592 NMDYNQDGARVLJP-NWDGAFQWSA-N 384.462 -0.468 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)COCc2cc(C)no2)C[C@H]1O 1757036479 OTHBDLUGMRHMOC-FPCVCCKLSA-N 379.413 -0.221 30 20 GBED N#Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)COCCO)C3)C2)cc1 1781313111 KEIPVXCHIKNMNW-HXUWFJFHSA-N 387.436 -0.060 30 20 GBED Cn1cc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cn1 1782017892 QNDFYOYRVGCYPR-DNVCBOLYSA-N 388.424 -0.436 30 20 GBED C/C(=C/C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)C(=O)O 1783161688 FGDBGSBLUQPUNC-ALEBPITASA-N 378.381 -0.381 30 20 GBED C=C(C(=O)N1CC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1)C(F)(F)F 1783204443 XFBCMIQGTIARHR-CYBMUJFWSA-N 384.376 -0.021 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC3CCOCC3)[C@H]2C1 1786739377 HWGDHCPXTUBNRJ-JYJNAYRXSA-N 378.425 -0.129 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)c3ccccc3)C[C@@H]21 1791075897 AWNDKIFVZHHKQA-JYJNAYRXSA-N 384.388 -0.063 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(N)=O)[C@H]3C2)c1 1792282793 WSWJQMFOPKVHMT-JYJNAYRXSA-N 385.424 -0.180 30 20 GBED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)C1CC(O)C1 1792891619 AQKKNCOVXWUUKN-GDGBWGNFSA-N 395.456 -0.124 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CNC1=O 1794008922 FEHKIATUDJYCLX-YIYPIFLZSA-N 376.413 -0.785 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 1795287447 HWRLAPNWOHQMCW-QKDZRIPBSA-N 379.457 -0.572 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 1795468708 LEUOTPMNZQHOGC-BMFAXAFESA-N 393.484 -0.663 30 20 GBED C=CCC(CC=C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795631622 KILSSIIZIFGIQV-KYHPRHEASA-N 392.500 -0.063 30 20 GBED COC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)ON=C(C)C)C2 1801205285 WXLBBCIOHFDMIQ-GUIRCDHDSA-N 384.433 -0.267 30 20 GBED C#CC(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807948951 KNKKMBPGWZXERX-MLGOLLRUSA-N 392.379 -0.840 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCN3C)CCO2)C1 1832056629 SRIIJFLOVANPBB-UWVAXJGDSA-N 393.484 -0.425 30 20 GBED COC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834400603 XSVTZIWWIKFVRU-QGZVFWFLSA-N 393.488 -0.377 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1835354639 SJNJKXIUIAQCHP-LJQANCHMSA-N 388.424 -0.392 30 20 GBED Cc1ccn(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1838822177 DFOKFZZXPOJPMM-IBGZPJMESA-N 389.408 -0.508 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1839840349 DSHOVGIBWGWUFY-FXAWDEMLSA-N 395.500 -0.013 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840380079 RUCPBVNBULDETE-OAHLLOKOSA-N 380.430 -0.733 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](COC(C)=O)OC(C)=O 1847804482 GIHCYXSTSJRXLI-ISWURRPUSA-N 394.424 -0.279 30 20 GBED CN(CCCc1n[nH]c(N)c1C#N)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O 135377546 CPAPCBMFIHWVEQ-UHFFFAOYSA-N 381.396 -0.042 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](C)CN2CCN(CC)CC2)C1=O 264925031 QTZWHLPIQMDHIA-CQSZACIVSA-N 379.461 -0.647 30 20 GBED Cc1nc(S(=O)(=O)N2CCN([C@@H](C)C(=O)N(C)CCC#N)CC2)cn1C 268876819 JCMHDPGJENHFPF-ZDUSSCGKSA-N 382.490 -0.205 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CN2CCN1CC2 269473477 DBQWZJLLGDAZGZ-UKRRQHHQSA-N 377.470 -0.659 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NCc1nnc2n1CCCC2)c1cc[nH]n1 276664324 YLHCPRAUKFKMPQ-PXLXIMEGSA-N 375.389 -0.062 30 20 GBED C=CCS(=O)(=O)CCNC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 281750010 ZEASLZPNRJBQSI-OAHLLOKOSA-N 387.458 -0.681 30 20 GBED CNS(=O)(=O)N1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 283531149 MFCRZOJEUDBISW-UHFFFAOYSA-N 380.398 -0.393 30 20 GBED CS(=O)(=O)[C@@H]1CCCN(/C(O)=N/CCS(=O)(=O)N2CCSCC2)C1 329638945 ZBPRUNDVTHCGKY-GFCCVEGCSA-N 399.560 -0.212 30 20 GBED N#Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)O)C2)c(Cl)c1 424444320 ZWGXRQPNRITTFY-NSHDSACASA-N 385.785 -0.140 30 20 GBED COc1cc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ncn1 472889665 SGZJUKZVLJTNRU-UHFFFAOYSA-N 384.400 -0.314 30 20 GBED N#C[C@@H]1CN(C(=O)NCCN2C(=O)CNC2=O)C[C@]12C(=O)Nc1ccccc12 514024425 KKGVVBQHWHUEEN-ZMZPIMSZSA-N 382.380 -0.407 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(-n2nnnc2SC)c1 539690080 QRCGWGHKWPKMAG-UHFFFAOYSA-N 375.414 -0.259 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCN(C)[C@@H](C)C3)CC2)c1C#N 574543069 RLWCQTVLXVUFCQ-DZGCQCFKSA-N 387.488 -0.152 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC([C@@H]3NC(=O)C3(C)C)CC2)C1=O 581151298 AEBMRIIKJGVXQN-ZDUSSCGKSA-N 376.413 -0.274 30 20 GBED C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 584038745 FKNTVSLMQAAPME-KGLIPLIRSA-N 378.429 -0.277 30 20 GBED CS(=O)(=O)NC1CC(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 619778162 BJFTZGPPSJPAKI-UHFFFAOYSA-N 385.467 -0.331 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CSCN2C(=O)CCCC)CC1 728532433 ZQHRWSOFRQBFHA-OAHLLOKOSA-N 380.514 -0.028 30 20 GBED CCN(CCS(C)(=O)=O)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 753203155 YWFGZUFHFJTBLL-UHFFFAOYSA-N 383.474 -0.130 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cn(C)cn1 756464962 PUDDPZJIVWIBED-XHDPSFHLSA-N 385.446 -0.315 30 20 GBED C#CCN1CCN(C(=O)CN[C@H](C(=O)OC)c2ccc(OC)c(O)c2)CC1 770688004 LXMCKMLDJZGZLQ-SFHVURJKSA-N 375.425 -0.018 30 20 GBED Cn1cc(/C=C\C(=O)OCc2cc(O)n3ncc(C#N)c3n2)c(=O)n(C)c1=O 782617468 CZZXMBTZUJPLBA-ARJAWSKDSA-N 382.336 -0.539 30 20 GBED N#CC(C#N)=c1sc(=Cc2ccnn2-c2ccc(F)cc2)c(=O)n1CC(N)=O 794622968 IMBONFCOYURZRV-UHFFFAOYSA-N 394.391 -0.253 30 20 GBED COC(=O)[C@@H](Cn1ccnc1)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 811216015 HSGVTEBJBASNTL-CQSZACIVSA-N 391.409 -0.609 30 20 GBED O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCCN(O)C1=O 820471054 LWLSGGZZIFSMCS-MQYQWHSLSA-N 396.444 -0.214 30 20 GBED N#Cc1ccc([C@H](C(=O)O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 833072796 ZJUHOYQYURRVJK-GOSISDBHSA-N 384.392 -0.023 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2c[nH]c(C(=O)O)c2)c1=O 833368371 NSQOSFRWDCFOTE-UHFFFAOYSA-N 382.401 -0.625 30 20 GBED C#C[C@@H](CC)NS(=O)(=O)CCCS(=O)(=O)N1CCCn2ncnc21 848963388 QBIJDCRGSZBSRS-LBPRGKRZSA-N 375.476 -0.461 30 20 GBED C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)Nc1ccc(=O)n(CC)c1 848964502 AEKISTNCDVRNHI-GFCCVEGCSA-N 375.472 -0.059 30 20 GBED C#CC[C@@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 854547158 BBJFLVLVBFGUTQ-GUTXKFCHSA-N 386.857 -0.036 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2c(C3CC3)cnn2C)CC1 895791792 UJKUKXKHSMLXCY-UHFFFAOYSA-N 380.474 -0.408 30 20 GBED CN1CCN(CCCCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 915197929 IOMJMEHHFYVCFM-UHFFFAOYSA-N 393.513 -0.131 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)CCn3ccnn3)C[C@@H]21 960977307 HZNQLKITPSLRKW-FXUDXRNXSA-N 375.429 -0.303 30 20 GBED CN(C)S(=O)(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N 1092980345 CSSQZQNBATXFLN-BZPMIXESSA-N 378.458 -0.144 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCO[C@H](C)C1 1109175265 CQROUTHSUOZDNZ-WCVJEAGWSA-N 376.457 -0.905 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2CC(=C)Br)CC1 1120136777 FXECHIIDHZAHTO-UHFFFAOYSA-N 390.267 -0.829 30 20 GBED C=CCN(CCOC)C(=O)C(=O)NCC1CCN(S(=O)(=O)CC)CC1 1261131714 OORFAIJDFFSZPX-UHFFFAOYSA-N 375.491 -0.175 30 20 GBED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)O1 1319798744 NKCKZUGPILLPGR-CFWSOTIOSA-N 379.417 -0.552 30 20 GBED C#C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1)[C@H]1CCCO1 1321208243 HMNJIMJTMGIKPN-HUUCEWRRSA-N 386.408 -0.602 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)CC2)nc1 1322491652 RNPBXTCHBZUDMZ-HNNXBMFYSA-N 397.439 -0.726 30 20 GBED CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCc1ccc(OCC#N)cc1 1322722432 KPOQCPJBFRVGFP-MRXNPFEDSA-N 390.440 -0.643 30 20 GBED C[C@@H](CNC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1)S(C)(=O)=O 1323242263 APURNFAIDQVEQB-LBPRGKRZSA-N 396.444 -0.105 30 20 GBED C=CCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@]1(C)CNC(=O)C1 1342026920 SVKMZKPAKGPQLN-SFHVURJKSA-N 375.477 -0.548 30 20 GBED C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1342185138 UGRQFTSCLVBXJB-AWEZNQCLSA-N 394.497 -0.002 30 20 GBED CN1CCC(CNC(=O)C(=O)N2CCC[C@H](C#N)C2)(N2CCOCC2)CC1 1351481446 GQJIXTWKKNPGBT-MRXNPFEDSA-N 377.489 -0.339 30 20 GBED CNS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1554506260 BWFIBJZXFUQKSJ-CQSZACIVSA-N 379.490 -0.119 30 20 GBED C=CCC1(C(=O)NCCN2CCN(CC(=O)NCc3cnn[nH]3)CC2)CCC1 1575086408 XYROKDSTJLOVCM-UHFFFAOYSA-N 389.504 -0.099 30 20 GBED C[C@H](NC(=O)C#CC1CC1)C1CCN(C(=O)CC(=O)NCc2cnn[nH]2)CC1 1577202535 LQEYYAHKSPYZTI-ZDUSSCGKSA-N 386.456 -0.032 30 20 GBED N#Cc1cc(C(=O)N[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3F)C[C@@H]2O)c[nH]1 1581864527 ACHHXLDDHRLHQE-OLZOCXBDSA-N 383.347 -0.420 30 20 GBED N#Cc1ccc(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[nH]n3)nn2)[nH]1 1581867370 FXUZEWWMAHSMHL-LLVKDONJSA-N 380.372 -0.508 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)nn1 1588351211 JFECGZVMNLGAKV-ZFWWWQNUSA-N 381.444 -0.161 30 20 GBED C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCO1 1588675933 LGCNKYWJZSAXLC-ZDUSSCGKSA-N 389.416 -0.255 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nn1 1588713254 INEAORJWVALBAI-LLVKDONJSA-N 382.388 -0.383 30 20 GBED C#CCOCCC(=O)N[C@H]1CCN(c2cc(C)ncc2-c2nn[nH]n2)C[C@H]1O 1602729313 ODXQNIPZDNKRDT-GOEBONIOSA-N 385.428 -0.334 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1O 1602886344 PVHDEFPYLFSZNY-ZZVYKPCYSA-N 387.400 -0.913 30 20 GBED C[C@]1(CNC(=O)CSCC#N)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 1603802436 LRGMOCBZTVBMDL-HNNXBMFYSA-N 389.445 -0.375 30 20 GBED COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1749844973 PHMGIGUILSYQDX-CHWSQXEVSA-N 386.478 -0.147 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782753865 PATBZTVECPAJJC-ACJLOTCBSA-N 381.429 -0.429 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1783562224 JNDVLSSQGVOKEV-KRWDZBQOSA-N 375.337 -0.976 30 20 GBED CN(C)C(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1783672911 SSMQLCVXOWRLGA-IHRRRGAJSA-N 379.461 -0.213 30 20 GBED C[C@@H](Oc1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1784491368 OAIGIZCHCALBBO-KUHUBIRLSA-N 387.392 -0.233 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)C3)C[C@@H]21 1784504240 FRPRIQDLILUTCL-YXMSTPNBSA-N 379.457 -0.307 30 20 GBED CCC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785446359 GAXDPSNBXJSYKR-KDOFPFPSSA-N 379.413 -0.791 30 20 GBED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786363923 KRHJIWZRHOLCGS-RFGFWPKPSA-N 386.474 -0.792 30 20 GBED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nccnc4C(N)=O)C[C@@H]32)CC1 1786695964 JGHYBYYDNHPOJC-AVGNSLFASA-N 398.423 -0.527 30 20 GBED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CNC(N)=O)C3)cc1 1792562496 TURIRGNXYGVZHS-JLVBRIDZSA-N 385.424 -0.641 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Cn1cncn1)C2 1793343958 FATFSBYFSZYLED-NNXHMXCWSA-N 389.456 -0.458 30 20 GBED Nc1ccccc1/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1795654737 FQDRWCOXQYINEV-DUXVGFTPSA-N 383.404 -0.040 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)NCC(C)C 1796462511 BKERPOJBLDAUDV-LVQVYYBASA-N 379.457 -0.614 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1831492177 KEFDOXNFTYMHDD-RDJZCZTQSA-N 390.502 -0.594 30 20 GBED C#CCCC(=O)N1CCC(N2CCC(NC(=O)CN3CCNC3=N)CC2)CC1 1834706993 WEVMOSLRSSLHTK-UHFFFAOYSA-N 388.516 -0.189 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C=CCN3)CCO2)C1 1836481317 YVBOTPKCZHAGRV-BXWFABGCSA-N 394.472 -0.228 30 20 GBED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1837377559 SLFIDIQOFQPQAX-GUYCJALGSA-N 381.433 -0.936 30 20 GBED C[C@@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838734818 LZVUUNJXRSLPSN-UGSOOPFHSA-N 375.429 -0.449 30 20 GBED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839212646 FYBOEQWEYYHKPE-OXJNMPFZSA-N 389.452 -0.523 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)CC)CCO2 1839831186 FMLIJBNMEIPNAB-IBGZPJMESA-N 396.440 -0.069 30 20 GBED Cc1noc(N)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840159522 GQXJHQCKOBEPKF-MEDUHNTESA-N 384.458 -0.046 30 20 GBED COC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816516 XQSINORJMXBZFY-GOSISDBHSA-N 394.428 -0.507 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)NC(=O)OCC)C1 1844158408 QLGCRJNQWREDGK-QWHCGFSZSA-N 383.445 -0.173 30 20 GBED CN/C(=N\Cc1ccnc(N2CCN(C)CC2)c1)NCCN1CCOCC1 104163588 AUQAEJABODJQFJ-UHFFFAOYSA-N 375.521 -0.169 30 20 GBED Cn1cc(N2CCN(/C(=N/C3CC3)NC[C@H]3CCS(=O)(=O)C3)CC2=O)cn1 262340897 CPJLKELIYUVPNV-CYBMUJFWSA-N 394.501 -0.389 30 20 GBED CN1C(=O)C(/C(N)=N/O[C@H]2CCN(c3cnn(C)c3)C2=O)=C(N)C12CCCC2 265014740 XIMICXVFIFBSPA-LBPRGKRZSA-N 387.444 -0.188 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(C(N)=O)CC1 268837653 PWQLKSPHONAXKD-GFCCVEGCSA-N 379.442 -0.162 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 275616326 IWFNECLCYZIFFP-ZDUSSCGKSA-N 398.412 -0.216 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C1=O 299540751 VKWDOSWIAJUGSO-CHWSQXEVSA-N 380.445 -0.033 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(/C(O)=N/[C@@H]3CC[C@H](F)C3)CC2)CC1 329218260 ABHNWQMNZDLQMB-UONOGXRCSA-N 377.486 -0.099 30 20 GBED COCCN(/C(O)=N/[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCS(=O)(=O)C1 329273299 IDBYXWCZVOCDTG-CHWSQXEVSA-N 397.519 -0.540 30 20 GBED Cn1ccnc(N=C(O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1=O 329461736 SNPFVDYYHPRSRE-GFCCVEGCSA-N 385.446 -0.548 30 20 GBED C=C[C@](C)(CCOC)C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 331228368 GOQVENLCWQEWBE-QGZVFWFLSA-N 388.534 -0.148 30 20 GBED CN(C)C1CN(S(=O)(=O)CCCS(=O)(=O)N[C@]2(C#N)CC2(C)C)C1 349504653 QPUDJCAKPHELMV-AWEZNQCLSA-N 378.520 -0.436 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C 349581613 VZCUJHNDBMFNNA-UMSGYPCISA-N 379.504 -0.059 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC(=O)[C@@H]2c2cccs2)C1=O 363269582 IRIPTSVCSYCSJF-LBPRGKRZSA-N 376.394 -0.276 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](S(N)(=O)=O)C3)CC2)o1 377910248 NBBZJQPFKHUWIH-ZDUSSCGKSA-N 396.473 -0.744 30 20 GBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCCN3)C2)C1 424541571 HNCNQAWDTXDXDC-ZJIFWQFVSA-N 375.473 -0.098 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCCNS(C)(=O)=O 462108109 KCTUYZJDYHYHIL-UHFFFAOYSA-N 377.430 0.508 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccon1 480950724 KMUUHULJCXDJHZ-UHFFFAOYSA-N 396.432 -0.515 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCCS1(=O)=O 484122578 HKTOKUHBMHBURG-BXUZGUMPSA-N 385.467 -0.082 30 20 GBED COC(=O)CNC(=O)CNS(=O)(=O)c1cc(Br)cc(C#N)c1 521077826 RYWCGRHKGCIRBC-UHFFFAOYSA-N 390.215 -0.112 30 20 GBED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(C(=O)CO)CC2)CC1 539481727 WNMSVCGLDBHFKV-HNNXBMFYSA-N 391.497 -0.407 30 20 GBED Cn1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 582417745 OQPFFOHRSPFFRN-UHFFFAOYSA-N 395.466 -0.013 30 20 GBED N#Cc1ccc(S(=O)(=O)CCN[C@@H]2CCN(CCN3CCOCC3)C2)nc1 591740169 RVZVREGDQYGKDX-QGZVFWFLSA-N 393.513 -0.277 30 20 GBED N#Cc1cccc(NC(=O)CCN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 592994603 ZNLVZVXUBRLRNT-UHFFFAOYSA-N 399.451 -0.110 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C1=O 661015417 LVPDSJTUQSNNFY-JKSUJKDBSA-N 378.473 -0.445 30 20 GBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 746943079 QTHPHKUDJYWMAG-NSHDSACASA-N 387.396 -0.203 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCCS(N)(=O)=O 767634054 DKDDNETWFMOGDW-JTQLQIEISA-N 375.428 -0.553 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 785163119 AOHOHTYOGHUZTB-ZIAGYGMSSA-N 391.428 -0.777 30 20 GBED CC(C)N(C)c1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cn1 790171010 CWAMLIJXVAABSE-UHFFFAOYSA-N 394.457 -0.364 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NC2(C#N)CCC2)c1 795326669 CCNPEUNNHURLPY-UHFFFAOYSA-N 376.394 -0.058 30 20 GBED C#CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 810214046 MQTPBZUSVVBHNB-UHFFFAOYSA-N 378.454 -0.299 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 819701483 JBQSMCHOABGHQF-UHFFFAOYSA-N 389.366 -0.348 30 20 GBED C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1CCC(=O)N(C)CCC#N 824999803 KDWPKGZDJVNZGK-ZDUSSCGKSA-N 384.448 -0.071 30 20 GBED CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@@H]21 960957219 ALIWDRCDSWBILA-BFJAYTPKSA-N 385.424 -0.338 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2coc(C(N)=O)c2)C1 969009943 POUPEAYXBYJNDI-MQYQWHSLSA-N 377.397 -0.339 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)c2nnc(O)nc2O)C[C@H]1C 994646246 PYGQKQYIWBGXEH-KKOKHZNYSA-N 377.401 -0.302 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1O 1023943024 ZUPJYCAQELEJLQ-MYPMTAMASA-N 376.413 -0.604 30 20 GBED N#CCNC(=O)CNCc1cn([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 1098691056 XTWCQXQOKIJVNQ-CNRFMZSYSA-N 399.455 -0.796 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@]1(C)CNC(=O)C1 1109546280 ZDEUHCHOEQKVBS-OVSNFEJUSA-N 377.445 -0.754 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCCN(C)C 1109977489 LHCYNSXQCGLIMI-ILXRZTDVSA-N 381.477 -0.702 30 20 GBED CS(=O)(=O)CCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1117102247 SDZOIFFVKFBWBL-UHFFFAOYSA-N 396.444 -0.103 30 20 GBED N#C[C@@H](C(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)N1CCS(=O)(=O)CC1 1122408737 OLWKXTIJBWGMAS-NHYWBVRUSA-N 391.405 -0.258 30 20 GBED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CCN(C)CC2)[C@H](C)C1 1206984871 COFIVKOOFUZXLD-UIXUWTQFSA-N 390.528 -0.081 30 20 GBED CS(=O)(=O)CCOc1ccc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cc1 1261602534 WSUYRJIGOZPLIX-KRWDZBQOSA-N 395.437 -0.074 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCCC(=O)NC3CC3)CC2)c1 1321897969 ARTJPQRUQOCQME-UHFFFAOYSA-N 384.440 -0.223 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCO[C@H](c3cnn(C)c3)C2)C1=O 1326768109 OLPAXBJLNXLDDD-OLZOCXBDSA-N 375.385 -0.267 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H](N)CCO3)C2)nn1 1327404867 BYLKLYLSBILNDE-OFQRWUPVSA-N 376.461 -0.175 30 20 GBED CN(CCCNC(=O)C(=O)NCc1cccc(OCC#N)c1)S(C)(=O)=O 1330747142 IVAZYTDRIWLZHD-UHFFFAOYSA-N 382.442 -0.397 30 20 GBED CN1CCN(C2CCN(C(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)CC1 1332006105 GAXCMRHWOVPZAF-GOSISDBHSA-N 388.516 -0.576 30 20 GBED C=C(C)Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@]1(O)CCOC1 1343350900 PYBKPROQOWGGRD-SFHVURJKSA-N 378.477 -0.280 30 20 GBED CCN(CC)CC(=O)N1CCN(c2nnc(Cn3cnc(C#N)n3)n2C)CC1 1344979213 GYZGTVJTXHGPGJ-UHFFFAOYSA-N 386.464 -0.683 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](CO)Cc1cnn(C)c1 1557093688 RJBWGTNGUNOVPN-DOMZBBRYSA-N 391.453 -0.322 30 20 GBED N#Cc1nc(=NC[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCO2)cc[nH]1 1571154113 YNVDFPVBRDYUFB-LLVKDONJSA-N 380.372 -0.769 30 20 GBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)CCOCc3cnn[nH]3)C[C@]2(C)C1 1574985835 MHMSHXAGIXXNMH-KHYOSLBOSA-N 388.472 -0.370 30 20 GBED C=C(C)C(C)(C)C(=O)N1CCOC2(CN(CC(=O)NCc3cnn[nH]3)C2)C1 1575039544 PVDGUICDMNLRIM-UHFFFAOYSA-N 376.461 -0.064 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)CCCO1 1588503576 AKLGMCUUGULIGZ-SJKOYZFVSA-N 388.432 -0.305 30 20 GBED C=CCCOCC(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588615937 OHHUGNCTJBNPGH-QGZVFWFLSA-N 389.416 -0.519 30 20 GBED C=CCn1cc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[nH]n3)c(C)n2)nn1 1588713768 SQMRHDCLZDLIMY-LLVKDONJSA-N 384.404 -0.450 30 20 GBED C#CCOCCC(=O)N[C@H]1[C@@H]2CN(c3cc(-c4nn[nH]n4)nc(CC)n3)C[C@@H]21 1602729074 BYCAJUQHPNJFEP-PBKGOJFUSA-N 382.428 -0.190 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(c2ccsc2-c2nn[nH]n2)CC1 1602729206 JPBTWFYRNGXGSV-UHFFFAOYSA-N 389.441 -0.657 30 20 GBED C=CCN1CC[C@@H](n2cc(CN3CCOCC3)cc(-c3nn[nH]n3)c2=O)C1=O 1602863617 ZWLJOHAHRXIHON-OAHLLOKOSA-N 385.428 -0.180 30 20 GBED CN1CCN(Cc2ccc(CNC(=O)Cn3cc(C#N)c(O)nc3=O)cc2)CC1 1625627419 OGWYIMYPGHSFKZ-UHFFFAOYSA-N 396.451 -0.116 30 20 GBED NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1783148222 MXMKDUQIXRFHSG-BAOGCXAUSA-N 379.461 -0.447 30 20 GBED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1783892454 IHEPQWATTDRUDP-QFYYESIMSA-N 380.426 -0.063 30 20 GBED C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1784519152 YDEZHAQTSUFKEV-AJNGGQMLSA-N 385.486 -0.049 30 20 GBED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1785355746 BRHLORRWKQRVHC-IBGZPJMESA-N 388.424 -0.499 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3c(=O)n(C)c4ccccc43)[C@H]2C1 1788140509 VYDLVQLGNFCNGJ-MPGHIAIKSA-N 396.447 -0.047 30 20 GBED C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN(C)C(=O)C(=O)O)C2 1793585102 XYQQKYMTXHLPCV-FQUUOJAGSA-N 381.429 -0.241 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cnc[nH]1 1796331364 SZZSDYALSKFPOR-XOIINTDNSA-N 388.472 -0.176 30 20 GBED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CN)C2 1797729225 UKCWSFAPSHKFTJ-DFGXFYAUSA-N 394.592 -0.087 30 20 GBED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O 1798357591 DEJJJJVRAXONJH-MIFYACCESA-N 399.451 -0.028 30 20 GBED N#CCC(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807021539 JFMDUJNAJATRAS-CJNGLKHVSA-N 395.356 -0.274 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)[C@@H](N)CN)[C@H]2c2cccnc2)c1 1808268245 VPGWKKTYIZIEBO-HLLBOEOZSA-N 381.440 -0.113 30 20 GBED C[C@H](C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1)n1cnnn1 1812882338 LJBAUNBDAFICLF-MRRJBJDNSA-N 397.395 -0.577 30 20 GBED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3cnc(O)[nH]3)sc2C1 1820670177 USKKYUCSPBMBQO-ZETCQYMHSA-N 375.366 -0.114 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(C)=O)C2)C1 1831391704 UPQOABKBCLKZMF-LPHOPBHVSA-N 380.441 -0.150 30 20 GBED CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1832290314 YVERAZKOZNTJPG-LJQANCHMSA-N 392.456 -0.385 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338597 MYYGEXXLPUOFNU-HNAYVOBHSA-N 375.425 -0.215 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC1CCOCC1)CCO2 1835423323 AZAYKCUDXAXJAZ-LJQANCHMSA-N 394.424 -0.653 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)c1ccco1)CCO2 1836129857 AZORJNQZAFXRTJ-SFHVURJKSA-N 375.381 -0.901 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838376785 JQEMSHLDRIEBQN-MEDUHNTESA-N 382.442 -0.430 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1839809950 VZBKHAMWXMPZON-JXXFODFXSA-N 389.452 -0.523 30 20 GBED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1839987161 QBZFIBSAZKHSTL-GOSISDBHSA-N 396.444 -0.119 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC=CC[C@@H]1C(=O)OC)CCO2 1840143011 GYXFDVXMMQUYPB-FTRWYGJKSA-N 390.436 -0.169 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1840160702 PXDLRVJATWBZFE-HZMBPMFUSA-N 396.412 -0.129 30 20 GBED C/N=C(/NCCn1ccnc1C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261703282 GLKFNXBHMYJMRD-UHFFFAOYSA-N 395.489 -0.097 30 20 GBED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cn1 264765834 PWOFPVOLCNACGJ-CYBMUJFWSA-N 388.471 -0.280 30 20 GBED COC[C@@](C)(C#N)NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 269565795 GVRDZDYDDXNJAZ-MEDUHNTESA-N 380.426 -0.268 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NC[C@@H](C)N1CCN(C)CC1)c1cc[nH]n1 276641037 UZCUTZNLRHVHHG-IQQDNESTSA-N 380.449 -0.554 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCCN(c3ccnn3C)C2)C1=O 289592542 JOMAICZPLOHLKY-LSDHHAIUSA-N 388.472 -0.250 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3ccccn3)CC2)C1=O 299605887 YIXUOTLVGDKCOJ-UHFFFAOYSA-N 385.380 -0.657 30 20 GBED C/N=C(/O)c1cccc(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c1 331270809 ATZPJVKSKDQLGY-UHFFFAOYSA-N 390.487 -0.467 30 20 GBED CC1(C)[C@H]2OCCC[C@H]2[C@H]1NS(=O)(=O)CCCS(=O)(=O)NCC#N 349558519 RVSFWCKTHUPETH-XQQFMLRXSA-N 379.504 -0.058 30 20 GBED N#Cc1ccc(F)c(CS(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)c1 424369895 RXTXZALEAOAEJZ-GFCCVEGCSA-N 376.387 -0.289 30 20 GBED COC(=O)CN(CC#N)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 471146368 ZNKLMQHNDDZHPW-UHFFFAOYSA-N 399.407 -0.641 30 20 GBED C=CCN1CC[C@@H](N(C)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1=O 500028667 YFPSIEBDCPDAHO-MRXNPFEDSA-N 394.497 -0.289 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)n1 539178621 RZMJYLZKWNQQNV-GFCCVEGCSA-N 382.446 -0.186 30 20 GBED COC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 573863362 PIYDEMRRHXASEN-NSHDSACASA-N 377.444 -0.884 30 20 GBED COC(=O)CN(CC#N)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 609992290 SDPSIKQITGFSDR-UHFFFAOYSA-N 384.370 -0.212 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H](NS(C)(=O)=O)C2)CC1 611266324 FXMYNDPWRNGCSZ-HOTGVXAUSA-N 385.534 -0.308 30 20 GBED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 726641653 NABZENISHIZNED-LBPRGKRZSA-N 399.473 -0.052 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)OC)s2)CC1 728590187 VVFQSHMTLDQUBM-UHFFFAOYSA-N 385.467 -0.410 30 20 GBED CC(C)(C)OC(=O)NCCN(CCO)C(=O)C(=O)NC1CCN(CC#N)CC1 805061346 QKEZJTIPNDNLLR-UHFFFAOYSA-N 397.476 -0.564 30 20 GBED C=CCN(C)C(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 839230757 GCYYTPMXAAPQFQ-UHFFFAOYSA-N 376.438 -0.076 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C)cc1 848942356 IYTSBWDKBGVELR-UONOGXRCSA-N 397.478 -0.022 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccnn2CC2CC2)c1=O 853467687 OEJAMJDDYUBBOG-UHFFFAOYSA-N 393.472 -0.045 30 20 GBED C#CCCN(CCOC)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 856389031 ZHLIHWAXPYBVSO-CYBMUJFWSA-N 381.454 -0.049 30 20 GBED C#CCNS(=O)(=O)N1CCN(CCC(=O)NCc2cnc(C)s2)CC1 878315153 HFZBQERWZADSQE-UHFFFAOYSA-N 385.515 -0.457 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2Cc3ccccc3O2)CC1 891933799 UVASXLAHOFCOTO-HNNXBMFYSA-N 378.454 -0.215 30 20 GBED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)CN(C)S(C)(=O)=O)cc1OC 916923507 KPRFKGZVADROJC-ZDUSSCGKSA-N 397.453 -0.037 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(=O)n(C)c2)C1 968715365 QUZDXNSFRXQYPU-WCVJEAGWSA-N 375.425 -0.332 30 20 GBED C#Cc1cncc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)c1 970852708 SEINYOOGXSZTLM-MLHJIOFPSA-N 379.420 -0.098 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3c(O)nnc3O)C[C@H]21 972393883 LKWZPWLZAHTZRP-COMQUAJESA-N 391.428 -0.270 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CN2CCNC(=O)C2)[C@@H]1C 988302834 APPLMMIEHVDDBF-WCVJEAGWSA-N 378.473 -0.495 30 20 GBED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1n1ccnn1)[C@@H]1OC[C@@H]2COCC[C@@H]21 990923292 CEDPLLWBNYTJRG-YUAHOQAQSA-N 399.451 -0.389 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 1024583660 OTOQVKMNAJCHJO-XZDPQHSOSA-N 388.424 -0.537 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc2c(c1)C(=O)NC2=O 1109998277 QZPWXHYFPKBPEI-UGFHNGPFSA-N 381.392 -0.455 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC1(CS(C)(=O)=O)CC1 1110461923 OGVFSFSWGUCFLB-KFWWJZLASA-N 381.498 -0.328 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)C1=O 1116137464 NSWPYZLKAIWEJK-SNVBAGLBSA-N 395.397 -0.842 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1117436184 HJKQQXYKZARHES-CQSZACIVSA-N 393.444 -0.423 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCN3CC[C@H](O)C3)n2)cc1 1118938734 NPTQAESMINASJV-HNNXBMFYSA-N 383.412 -0.681 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(=O)NCCCC)C[C@H]1O 1196275488 CHOOYQQSACDTKS-TUVASFSCSA-N 382.461 -0.635 30 20 GBED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 1320283603 BCORXLKKYFVWCE-AWEZNQCLSA-N 392.460 -0.080 30 20 GBED Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1 1323016747 ZSRNWCZQPZDADI-CYBMUJFWSA-N 380.426 -0.860 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)nn1 1326249970 JGIHQWKQHLQTTC-UHFFFAOYSA-N 396.451 -0.006 30 20 GBED C#CCSCCNC(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1329473451 NBNOWWCDAUVWIC-XDQVBPFNSA-N 375.450 -0.608 30 20 GBED CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1330319019 PLJCYJQWUORCBV-DLBZAZTESA-N 377.489 -0.246 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H](NC(N)=O)C3)CC2)c(F)c1 1331031734 TUOCKSYMIPSPIZ-ZDUSSCGKSA-N 388.403 -0.385 30 20 GBED Cn1cc(N2CCN(C(=O)C(=O)NCc3cccc(OCC#N)c3)CC2=O)cn1 1346351804 MIHPKVMWSUNGGN-UHFFFAOYSA-N 396.407 -0.186 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc([C@H]2CCC(=O)N2)n1CCc1n[nH]c(C)n1 1574954230 JBJVNHDDPFMCNO-CYBMUJFWSA-N 395.431 -0.344 30 20 GBED C#Cc1cncc(C(=O)N2CC[C@@H](CN[C@@H](C)C(=O)NCc3cnn[nH]3)C2)c1 1575032788 MEBOPMSSLACJON-ZFWWWQNUSA-N 381.440 -0.062 30 20 GBED C[C@@H](NC(=O)C#CC1CC1)[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1575249526 YVBMLHCLWBMPMM-IAQYHMDHSA-N 383.412 -0.046 30 20 GBED C#CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1)C(=O)OC 1588333975 KIHLPILEBRVFNE-JTQLQIEISA-N 380.342 -0.382 30 20 GBED C#CCNC(=O)[C@@H](C)N1C[C@H]2[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C1 1588353257 MDOUMDSRQHEOIK-ZRJCITRHSA-N 382.428 -0.760 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(CC(=O)O)c(F)c2)CC1 1602725485 VVEOHJNKIVMIFH-UHFFFAOYSA-N 397.428 -0.492 30 20 GBED C#Cc1ccc(C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cn1 1602737475 SHONOUMWAAHUBE-UHFFFAOYSA-N 392.379 -0.812 30 20 GBED CN(C[C@H](O)c1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1604720420 HWKTWWGUTDSXKG-KSSFIOAISA-N 399.411 -0.764 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CC(Oc3ccc(-c4nn[nH]n4)cc3)C2)CCO1 1606345572 LNGHLOCOQVOHTD-ZDUSSCGKSA-N 383.368 -0.793 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 1609058675 NUYMHALYTPDFLT-GFCCVEGCSA-N 385.432 -0.216 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@](C(=O)O)(C(F)(F)F)C2)C1=O 1609373568 GUNKJFVILZJDHB-CYBMUJFWSA-N 377.275 -0.171 30 20 GBED Cc1nc(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)n[nH]1 1612424702 VCOMQTFZICXFOD-ZDUSSCGKSA-N 385.432 -0.202 30 20 GBED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CCO1 1618693307 JOZKOBKPUYDMGC-OAHLLOKOSA-N 397.439 -0.144 30 20 GBED CCN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1709909756 XUZCKKISRVVIGC-ZDUSSCGKSA-N 375.433 -0.392 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1778794797 ZOPPFKYAAGDKCC-FZKQIMNGSA-N 394.428 -0.425 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1778969122 CKXITAXUXAJTSE-GUYCJALGSA-N 378.433 -0.924 30 20 GBED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)N1CCOCC1)C2 1783165500 IYTFLBQWPXFMKJ-IMFGXOCKSA-N 393.484 -0.436 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(N)=O)C1 1783288583 RPRMSDHAUYNKGE-HBUWYVDXSA-N 397.476 -0.031 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C[C@@H]21 1788573432 QYHXOPRNFLQGMN-UVPYHEFZSA-N 393.484 -0.182 30 20 GBED NC[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)c1ccccc1 1791076103 NAWFEHLHLAVWQL-XSLAGTTESA-N 399.447 -0.203 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ncccn4n3)C[C@@H]21 1791076900 PCTRXBAGTVLKNJ-YDHLFZDLSA-N 397.391 -0.589 30 20 GBED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21)n1cnnn1 1791689147 YOSBEDTZWIMFGO-PCBIJLKTSA-N 398.427 -0.273 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnn1)C2 1793346703 JOZFDLYJHSUYBX-ZXFNITATSA-N 388.424 -0.517 30 20 GBED COc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)cc1F 1794364582 AANCRJCPOLPJBR-DRXBFXEBSA-N 391.355 -0.480 30 20 GBED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(C)=O)C2 1801167026 MIYTWOYUYYEHGH-SFNKJDCFSA-N 393.484 -0.079 30 20 GBED C#CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CNC(=N)N)[nH]n1 1815197366 NMSSYMFRAIQISB-DGCLKSJQSA-N 375.433 -0.077 30 20 GBED CC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1830519494 OGYXIUHYGIZUJA-KXBFYZLASA-N 396.488 -0.504 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H](C(=O)OC)C1)CCO2 1830717644 LAUMICJEMWYVFN-CLCXKQKWSA-N 378.425 -0.335 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)CC)CCO2 1831193387 RQVQOOXSWAJJNW-HNAYVOBHSA-N 379.457 -0.229 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1831397142 URFXBOZQOCMYFO-UGSOOPFHSA-N 393.396 -0.512 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1831485256 AHKYTLYLDZLOOO-JOQOYGCGSA-N 399.513 -0.324 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833224548 AGQVIVQDBYMAOV-WMLDXEAASA-N 397.501 -0.161 30 20 GBED Cn1cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)cn1 1834192714 HRZDNJLCJSCLBS-UHFFFAOYSA-N 387.440 -0.307 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836130002 CMQCQBIWZFOMLE-KRWDZBQOSA-N 376.417 -0.716 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836132211 OWFUEBQOQKOXGJ-QAPCUYQASA-N 393.444 -0.674 30 20 GBED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836149976 ASWLAQGQJOOOMW-PBHICJAKSA-N 378.433 -0.658 30 20 GBED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)CC2)CC1 1836847477 UDHIFYGHSGTNJY-CQSZACIVSA-N 399.513 -0.054 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839238126 VPXAHPXPSITGJK-MAUKXSAKSA-N 377.445 -0.053 30 20 GBED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CN)C4)C3)c2c1 1839487764 GRDWOWPPSNMAJT-LJQANCHMSA-N 398.423 -0.537 30 20 GBED CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)no1 1840042195 GPLSHHCJFMYTAE-GOSISDBHSA-N 391.380 -0.605 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H]3CCOC3)C2)C1 1840043937 DFXJQCRLBDPQBB-DNVCBOLYSA-N 394.424 -0.653 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840568996 ZVMPGBSRKFSZAA-HNAYVOBHSA-N 381.473 -0.405 30 20 GBED C=C1CC(C(=O)N2CC3(CCCN3C(=O)CN3CCS(=O)(=O)CC3)C2)C1 1841893091 AOZZUOJKGLEYHW-UHFFFAOYSA-N 381.498 -0.114 30 20 GBED NC(=O)[C@H](N)CCC(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1842946263 XFDDHIWDOVGOPL-OAHLLOKOSA-N 390.484 -0.519 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCOCC2)CC1 21578532 XHJRTFQVHJTFKO-UHFFFAOYSA-N 378.454 -0.277 30 20 GBED COC(=O)[C@@]1(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCOC1 268008963 PGDYDTQMYFJJOT-MRXNPFEDSA-N 381.410 -0.060 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](CO)c1cnn(C)c1 272345727 NSFQEZATMMNGGO-XHDPSFHLSA-N 377.426 -0.192 30 20 GBED COCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2C#N)CC1 276967971 DHKOFKBJROLKMR-UHFFFAOYSA-N 388.471 -0.374 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)C1=O 283636486 UIUCWXHOVUVIAT-DLBZAZTESA-N 393.532 -0.380 30 20 GBED Cc1cnn(C)c1/C=c1\s/c(=C(\C#N)C(=O)N2CCSCC2)n(C)c1=O 284966137 AZDRIQIZMCSRRB-MCPRKVKSSA-N 389.506 -0.433 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NN2C(=O)N[C@](C)(CC)C2=O)cc1 298102708 ZKFSCCKWWYMMBX-MRXNPFEDSA-N 378.410 -0.037 30 20 GBED C[C@@H]1CS(=O)(=O)CCN1/C(O)=N/[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 329497082 UXSZNHPAGNUJSJ-VXGBXAGGSA-N 379.504 -0.024 30 20 GBED O=C(CN1CCOCC1)N1CCN(/C(O)=N/[C@@H]2CCn3ccnc3C2)CC1 330189378 LTDRFTIXXNBMIO-OAHLLOKOSA-N 376.461 -0.412 30 20 GBED CC1(O)CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(CC#N)CC#N)C1 349482788 SVANFRNZZQAFCM-UHFFFAOYSA-N 384.439 -0.520 30 20 GBED N#C[C@H]1CSCCN1S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCOC1 349567448 GAZXLZNEQRPOKW-RYUDHWBXSA-N 383.517 -0.644 30 20 GBED CN1CC[C@@H]2CN(S(=O)(=O)CCCCS(=O)(=O)NC3(C#N)CC3)C[C@@H]21 349605162 GCLYMTOQBLERCW-KGLIPLIRSA-N 390.531 -0.292 30 20 GBED COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 374463915 AYYULOZKGVAKPX-KGLIPLIRSA-N 396.535 -0.305 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C[C@@H](CO)O1 410586013 CDLNFCFKQBWGHT-NXHRZFHOSA-N 386.452 -0.169 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@@H]5O)CC2)nc1 410742366 AUDBAUFYTQMTCW-ONMISFSYSA-N 381.436 -0.170 30 20 GBED CCOC(=O)c1c(NC(=O)C(=O)N2CC(=O)N[C@@H](C)C2)c(C#N)cn1CC 421230110 ULFOTCCCVUHCHP-JTQLQIEISA-N 375.385 -0.158 30 20 GBED N#Cc1cc(F)ccc1CS(=O)(=O)N1Cc2nnc(O)n2C[C@@H]1C(=O)O 424394882 UNYNOWNHPGDIML-LLVKDONJSA-N 381.345 -0.207 30 20 GBED N#Cc1ncccc1S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 428400819 LVQPKASULLFXNT-UHFFFAOYSA-N 397.438 -0.222 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCN1CCOC[C@H]1C 460613231 JXKMROWTVKFVEX-CQSZACIVSA-N 397.439 0.223 30 20 GBED C[C@H](CNC(=O)C(=O)N(C)CCOCc1ccc(C#N)cc1)S(N)(=O)=O 561825404 VCIZQHKICMMMFA-GFCCVEGCSA-N 382.442 -0.674 30 20 GBED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(=O)N[C@H](C)C2)cc1 571333515 OGOXJXAWTINHIV-MNOVXSKESA-N 378.410 -0.342 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[C@@H](CO)O1 594634949 FTAVZJISLZGHFP-NEPJUHHUSA-N 389.455 -0.693 30 20 GBED C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N1CCN(CCC#N)CC1 601467544 WSYPMQBUYYYTQR-MRXNPFEDSA-N 377.489 -0.244 30 20 GBED CS(=O)(=O)Cc1nc(=NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)o[nH]1 613206294 LAGGXDRHYKUZLL-UHFFFAOYSA-N 391.413 -0.343 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)NCCCS(=O)(=O)NC)cc1 629348622 LTSZDQCUEXAKBD-UHFFFAOYSA-N 375.472 -0.180 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccccn1 726182767 ZNCRYPYIYRMPML-UHFFFAOYSA-N 394.460 -0.470 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)N2CCC(C(=O)OCC)CC2)CC1 728573247 MEKYGKBKJQKELG-UHFFFAOYSA-N 378.473 -0.845 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)O)C2)CC1 738463597 XFDCEGUZWFLCSZ-QGZVFWFLSA-N 397.435 -0.401 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CO)C(=O)O)CC2)cc1 739130539 UMCJYVLGYZJZND-CQSZACIVSA-N 381.410 -0.479 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(=O)NCCCC)CC2)C1=O 748557489 LFNAELRTVFRNLT-UHFFFAOYSA-N 393.444 -0.976 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(CC(F)F)CC2)c1=O 766369139 HUKMGYRPZXPCRC-UHFFFAOYSA-N 385.415 -0.226 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)nc1 804058793 WZMGZPUXLCXZPY-DLBZAZTESA-N 398.467 -0.419 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCC1(N2CCOCC2)CC(OCC)C1)[C@H]1CCCO1 809310736 UNKXNRDIZGFHLM-MUZJZNNISA-N 393.484 -0.331 30 20 GBED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(F)c(N)c(F)c1 814883470 OTZGXMUQNVGGKJ-UHFFFAOYSA-N 387.368 -0.353 30 20 GBED C=C(C)Cn1c([C@@H]2CNC(=O)C2)nnc1N1CCN(S(=O)(=O)CC)CC1 818296366 SUOCOIJJMPFAQR-ZDUSSCGKSA-N 382.490 -0.071 30 20 GBED COC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 831065593 DHFGEHPKYGLVAD-CABZTGNLSA-N 383.382 -0.642 30 20 GBED C[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 848942232 BWDAMODEOPVJCI-NSHDSACASA-N 386.455 -0.660 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](O)C[C@@H]1C 848956147 KWHMDLJYTONZCR-KBPBESRZSA-N 397.478 -0.022 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc3cnn(C)c3c2)CC1 894991907 UZFBENLRZNZTLB-UHFFFAOYSA-N 390.469 -0.132 30 20 GBED CNC(=O)Cn1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cn1 918353442 MIYKOLNNDHXWCA-UHFFFAOYSA-N 376.398 -0.694 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CCc2nnc(O)nc2O)[C@@H]1C 990145517 CFXOMIGZTCXLRE-NMKXLXIOSA-N 391.428 -0.088 30 20 GBED C=CCCn1cc(C(=O)N2C[C@@H]3CN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@]3(C)C2)nn1 993447015 ZPCAVCMKZWEWEJ-SSHHRWTQSA-N 386.456 -0.104 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C[C@H]2O)CC1 1024132056 PTCWZQRTTKHQJD-MKXGPGLRSA-N 389.496 -0.165 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](C1CC1)N1CCOCC1 1111433395 ZFJMOTJMQNVOCN-XLMAVXFVSA-N 375.473 -0.542 30 20 GBED CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)N[C@H]1CCc2cc(C#N)ccc21 1117511177 OWECPKMBZKBIGY-WMZOPIPTSA-N 386.452 -0.187 30 20 GBED C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)N1CCO[C@@H](C#N)C1 1117697977 UAQLKSZVQBLLIS-KGLIPLIRSA-N 394.453 -0.389 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCNC(=O)c2ccc(F)cc2)C1=O 1324463446 VABJCLGRFBKMNV-HNNXBMFYSA-N 390.415 -0.083 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)n1 1324885333 AXNVLGYBUZFZDK-UHFFFAOYSA-N 385.428 -0.212 30 20 GBED C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)CCO1 1325208487 YJTRZAAGSOTJSN-BFHYXJOUSA-N 396.444 -0.122 30 20 GBED C[C@@H]1CC2(CCNCC2)CN1C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1326143064 QYJOZGWNDDUVPQ-UWZWCOGJSA-N 389.456 -0.380 30 20 GBED COc1ccc(CNC(=O)C(=O)N2CCCN(S(C)(=O)=O)CC2)cc1C#N 1331722854 VUHKDFIRZVAVQU-UHFFFAOYSA-N 394.453 -0.323 30 20 GBED C[C@H](NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1nnnn1C1CC1 1331946561 SJTMIQMZCYJHQZ-LBPRGKRZSA-N 395.427 -0.199 30 20 GBED C=CCn1c(C[C@H]2CCNC(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1340384562 HUGOPSQYGREGIX-OAHLLOKOSA-N 389.504 -0.257 30 20 GBED CN(CC1(N(C)C)CCC1)C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1342096316 IKJTYPPFKXKXAG-CCEZHUSRSA-N 377.445 -0.428 30 20 GBED C#CCOCCC(=O)NC[C@@H]1CCCN(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575014231 YUUDWSGYEDDUFH-AWEZNQCLSA-N 390.444 -0.794 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2CN(CC(=O)NCc3cnn[nH]3)CC2(C)C)nc1 1575021356 FTFAFTFTPQTRBO-INIZCTEOSA-N 381.440 -0.062 30 20 GBED C[C@H](OCc1cnn[nH]1)C(=O)N1CCC[C@H](CN(C)CC(=O)NCC#N)C1 1575829470 XWLJXDUEJACBNT-UONOGXRCSA-N 377.449 -0.480 30 20 GBED C#CCN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CCN(C[C@H](O)COC)CC1 1588348534 ALAGCQRPFWEUCI-HNNXBMFYSA-N 387.444 -0.258 30 20 GBED C#CCNC(=O)Cn1cc(I)c(C)c(-c2nn[nH]n2)c1=O 1588353814 HQNKFDGXYCLASU-UHFFFAOYSA-N 398.164 -0.309 30 20 GBED C#Cc1ccc(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cn1 1588366894 CUFGIQMQSNJTNS-CYBMUJFWSA-N 380.368 -0.908 30 20 GBED C#CC[C@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)O 1588407510 JEXUJVSFULAVRU-ZETCQYMHSA-N 382.174 -0.515 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2ccc(-c3nn[nH]n3)cc2)C1=O 1588654940 RXPYWKGHOQLFQQ-UHFFFAOYSA-N 383.368 -0.498 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCO[C@@H](CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1602724501 GGNDDFLQFVTBSE-OLZOCXBDSA-N 386.416 -0.854 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](CO)[C@@H]3CCCOC3)CC2)o1 1654729716 KFHCKVCRZHAIIN-ZBFHGGJFSA-N 377.445 -0.120 30 20 GBED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783564150 GMCUVXDLLNOVMF-ACJLOTCBSA-N 379.413 -0.791 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnnn3C)[C@H]2C1 1785465785 ROMVSWIQHPNRCT-DARAHFNDSA-N 391.472 -0.019 30 20 GBED CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793260185 GKJZKQLXMPVGIH-FAYQHZLMSA-N 376.457 -0.303 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1793342516 IEPSDPGPYFUZNY-MCYUEQNJSA-N 390.396 -0.871 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCC1=O 1795448657 FBNQUBQFQOSKDX-AFIMGQEJSA-N 379.457 -0.211 30 20 GBED CC(=O)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795600648 CHYRBNYPKPMUFO-SCAQPMJSSA-N 393.488 -0.616 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccn2n1 1796103252 QRCMCDMNOZLGJO-DRXBFXEBSA-N 383.364 -0.980 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)NCC 1797694177 FDHUAKPJAUTESD-DGADGQDISA-N 396.488 -0.125 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1F 1800647573 NLOIPQGJBKMAKP-DBWKPXFBSA-N 390.367 -0.118 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(CCO)CCO 1801736041 UTIDTDUSMYLOMP-YVSFHVDLSA-N 397.516 -0.516 30 20 GBED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1831224015 ADNXOYJLIDOXII-IBGZPJMESA-N 387.440 -0.462 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CC(N)=O)CCO2 1831616250 STXAENPIXWXINE-KXBFYZLASA-N 379.457 -0.242 30 20 GBED C#CCCC(=O)N1CCC(N2CCC(NC(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1834739163 SOLKSBCXSUXPGZ-QGZVFWFLSA-N 391.516 -0.436 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1835999781 OXONXAQLMUYEMQ-IBGZPJMESA-N 375.425 -0.119 30 20 GBED CN(C)C(=O)NCC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844299053 ZZTWHNZZVHHAOH-MBTVCVBTSA-N 395.460 -0.010 30 20 GBED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1 271373773 QBPHEXIOCXYZFO-AWEZNQCLSA-N 376.438 -0.012 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)NCCCN3C(=O)CNC3=O)C2=O)cc1 277169772 JBZQMGLLQRGROV-HNNXBMFYSA-N 398.423 -0.100 30 20 GBED C#CCNC(=O)CCN1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 293238115 WIOJYKXHCJNWMW-UHFFFAOYSA-N 377.466 -0.013 30 20 GBED O=C(CN1CCOCC1)N1CCN(/C(O)=N/C[C@@H]2CCN(C3CC3)C2)CC1 328662361 XGUYPZRQNIONPQ-INIZCTEOSA-N 379.505 -0.139 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(/C(O)=N/C[C@]3(C)CCOC3)CC2)CC1 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GBED CN1CCN(S(=O)(=O)c2cccnc2NN=C2CCS(=O)(=O)C2)CC1 734751390 STHNSYWAMNXSHD-UHFFFAOYSA-N 387.487 -0.396 30 20 GBED C#CCN(C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCS(=O)(=O)C1 735374062 ALQMIRYRMZSNDC-GJZGRUSLSA-N 391.453 -0.271 30 20 GBED CC(=O)N1CCN(C(=O)[C@H](C)ON=C(N)c2ccc(S(C)(=O)=O)cc2)CC1 749791654 QYXCBDITGHZQCR-LBPRGKRZSA-N 396.469 -0.194 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 757604078 LBYYIOMZSNTURH-CMPLNLGQSA-N 387.400 -0.054 30 20 GBED CCOC(=O)CON=C(C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1cc[nH]n1 772155704 NJSUXWLCEWTNPF-OLZOCXBDSA-N 379.417 -0.327 30 20 GBED N#C[C@H]1CNC[C@@H]1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 834511918 PXXGXUAZEXCMLJ-RDJZCZTQSA-N 392.481 -0.132 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)C[C@H]2OC)nc1 944090673 DBKYXNWFGGUEFN-BNEJOLLZSA-N 386.452 -0.262 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2n[nH]c(C)n2)C[C@H]1O 1023915874 ICZVRACFZBARGT-CFAJVAMVSA-N 377.445 -0.285 30 20 GBED N#Cc1nccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@@H]2Cc3cncn3C(=O)N2)n1 1055488747 YLCCZFYNGVVFOC-ZZVYKPCYSA-N 378.396 -0.047 30 20 GBED CN(C)S(=O)(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(C#N)cn1 1092980563 FZMNSQAFSQJHQK-MCIONIFRSA-N 378.458 -0.144 30 20 GBED C=CCN(CC=C)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CS(=O)(=O)C1 1109328362 MJSNSGDWOYLMJF-PMPSAXMXSA-N 381.498 -0.047 30 20 GBED COC(=O)C[C@@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)CCO1 1117019435 GDPHYEMPPFLONR-CYBMUJFWSA-N 375.385 -0.728 30 20 GBED C[C@H](CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)CN1CCN(C)CC1 1322199662 XLVCFPDZLBVMHK-UPTRSRDDSA-N 378.477 -0.305 30 20 GBED C#C[C@@H](NC(=O)C(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1)[C@H]1CCCO1 1323709568 AIMOZLHAEYYMTH-HZPDHXFCSA-N 399.513 -0.150 30 20 GBED N#CCC1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 1323911236 CYCTUKMNNLDMSO-UHFFFAOYSA-N 379.442 -0.372 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC(N3CCN(C)CC3)CC2)C1=O 1329412013 JUVWWEKCJZILKW-KRWDZBQOSA-N 391.516 -0.530 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)NCCOc1cccc(F)c1 1345157131 UQKKIMOHZNHFJI-NXVVXOECSA-N 390.371 -0.037 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCC([C@@H]2CCOC2)CC1 1346276574 LCAWCZBHWHTMKO-UPTRSRDDSA-N 390.440 -0.096 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2COCCN2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1574937316 VZHASLKRCFEOTK-PMPSAXMXSA-N 389.504 -0.086 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[nH]n2)nn1 1588499463 IRILISPLGYBYSC-ZBEGNZNMSA-N 376.421 -0.761 30 20 GBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccnc1-c1nn[nH]n1 1588628458 ZULGUOAANUNJQB-SNVBAGLBSA-N 384.443 -0.375 30 20 GBED C=CCNC(=O)NC(=O)CNC[C@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588658441 KFEXAVCYEFYQNU-JTQLQIEISA-N 389.420 -0.838 30 20 GBED C=CCOCCNC(=O)C(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 1588683314 QVHWIYQDNVSQST-UHFFFAOYSA-N 399.455 -0.170 30 20 GBED CN(CC(=O)NCC#N)C[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1591038735 OSNFMULSLKNTDE-GFCCVEGCSA-N 385.432 -0.381 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[nH]n3)nn2)C1 1602724872 HMBSXSLGFRIUHJ-YVEFUNNKSA-N 386.416 -0.858 30 20 GBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1OC 1602840739 DLPKPYJSAMJHQR-JHJVBQTASA-N 388.432 -0.042 30 20 GBED C=CCOCC(=O)NCCN1CCN(c2nc(C)cc(-c3nn[nH]n3)n2)CC1 1602867970 FTWNWIYSOBEIRR-UHFFFAOYSA-N 387.448 -0.594 30 20 GBED C#CCNC(=O)CC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)C1 1757177600 KWDIXTFKZSQEMN-MLHJIOFPSA-N 383.448 -0.074 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1778794791 ZOPPFKYAAGDKCC-ACJLOTCBSA-N 394.428 -0.425 30 20 GBED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1783891097 YUGLNWHUKTXTMO-QLJPJBMISA-N 392.441 -0.821 30 20 GBED C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2 1792922848 RZHFSRUQZYCGNX-KYHPRHEASA-N 392.500 -0.063 30 20 GBED C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CNC1=O)C2 1793579939 XGYSQEQYPWKQMU-FQUUOJAGSA-N 378.429 -0.233 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H]1NC(=O)NC1=O 1794205293 JJBFKSZQLFVXPD-RGDJUOJXSA-N 378.429 -0.186 30 20 GBED CC(=O)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)C(C)(C)C 1831085579 JWJKDICIAHNYGO-QFBILLFUSA-N 394.472 -0.093 30 20 GBED C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1831601903 IACAGUANFPQHBM-FZKQIMNGSA-N 378.429 -0.742 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837798889 HFBTYRJGFGRPJX-MEBBXXQBSA-N 399.429 -0.294 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839235459 WGVVPRPDUVOSQL-DOTOQJQBSA-N 397.501 -0.311 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1840171963 JIHVNTRJLJKRLE-SFHVURJKSA-N 377.397 -0.268 30 20 GBED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1840292254 FLXLKPUMXHCSAP-JXFKEZNVSA-N 391.468 -0.085 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840564207 MNIONIBYKCTGBZ-PXNSSMCTSA-N 395.500 -0.179 30 20 GBED NC(=O)CC[C@H](N)C(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844313992 JRACDCZHLKEJMH-SLSPDHCBSA-N 375.429 -0.505 30 20 GBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)/C=C/C(=O)NCc1ccco1)C2 1846195849 KJAKKTNGUWPNSQ-SNAWJCMRSA-N 385.376 -0.257 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCN1C(=O)CCC1=O 269054702 WKCDZUOYKZVVRD-GFCCVEGCSA-N 392.437 -0.120 30 20 GBED N#Cc1ccc2c(c1)N(CC(=O)N1CCN(CC(=O)N3CCOCC3)CC1)CC2 270308385 PKTVVWYXHVGYQC-UHFFFAOYSA-N 397.479 -0.076 30 20 GBED C=CCN(C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@@H]1CCS(=O)(=O)C1 299177414 YFBBTCYBBXTBGO-QZPUYBJASA-N 378.450 -0.005 30 20 GBED Cn1cc(S(=O)(=O)N2CCC(/N=C(/O)[C@@H]3CN4CCCN3CC4)CC2)cn1 328946648 KBAFLCSMHTXTBB-INIZCTEOSA-N 396.517 -0.080 30 20 GBED C[C@H]1CN(S(=O)(=O)N2CCN(C(O)=Nc3cnn(C)c3)CC2)C[C@H](C)O1 329480032 VIGNKRWERLUNQA-STQMWFEESA-N 386.478 -0.063 30 20 GBED Cn1cc(N2CCN(/C(O)=N/C3CCN(S(C)(=O)=O)CC3)CC2=O)cn1 330319330 RGISSSZODNUCTK-UHFFFAOYSA-N 384.462 -0.593 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@]3(CCOC3)C2)CC1 349509781 YKCIJKZTKAYJAX-ZDUSSCGKSA-N 377.488 -0.206 30 20 GBED CN1C[C@H](NS(=O)(=O)CCCS(=O)(=O)N[C@]2(C#N)CC2(C)C)CC1=O 349610969 DWUGANOWDQEKFY-RISCZKNCSA-N 392.503 -0.862 30 20 GBED C[C@H]1CC[C@@H](C)N1CCN1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409560373 ALODUBHRPOUAKU-IXDOHACOSA-N 385.534 -0.054 30 20 GBED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCn3c(O)nnc3C2)n1 440758723 AZAWUJSKRRWZSF-UHFFFAOYSA-N 396.342 0.161 30 20 GBED Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)C[C@H]2CO)cn1 447327516 XITPJBFLHXDPBE-GJZGRUSLSA-N 399.455 0.416 30 20 GBED CN1CCO[C@@H]2CN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)C[C@@H]21 518628039 BJUABPMEAWFRSG-JKSUJKDBSA-N 378.454 -0.280 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC(N)=O)cc1 572541373 ADNDIGFHTSEARK-NSHDSACASA-N 388.471 -0.237 30 20 GBED CCc1ccc(C(=O)NCC(=O)NCC#N)cc1S(=O)(=O)N1CCOCC1 573588251 ZFGNSGZSNAYBOQ-UHFFFAOYSA-N 394.453 -0.361 30 20 GBED CCS(=O)(=O)NCCCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 581458306 MCGREIFLICOKHX-UHFFFAOYSA-N 388.471 -0.718 30 20 GBED CCC1(CC)NC(=O)N(CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1=O 731861932 SSLVGENKNOYVCT-YPKPFQOOSA-N 377.401 -0.260 30 20 GBED N#Cc1ccc([C@H](OC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C(N)=O)cc1 745477963 JXGPGCAYHYXONP-HPCJDURASA-N 383.360 -0.210 30 20 GBED C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 761031723 BBNPWWCFJTUMRT-UHFFFAOYSA-N 375.454 -0.028 30 20 GBED N#Cc1ncn(CC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)n1 769200721 TYFWECPVUCXXSI-UHFFFAOYSA-N 380.352 -0.172 30 20 GBED NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 788019919 XJOCIOFJXONNBX-RWSFTLGLSA-N 376.438 -0.163 30 20 GBED C#Cc1cccc(CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)c1 817820448 WFZOGRLCUKNNSY-UHFFFAOYSA-N 395.506 -0.221 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](Oc2ccccc2)C(C)(C)O)CC1 831574397 FOSYLMRUEHMXAC-MRXNPFEDSA-N 395.481 -0.183 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N(C)[C@H]1CC(C)(C)OC1=O 848956713 AJEYKWYLENDZIG-NEPJUHHUSA-N 395.503 -0.094 30 20 GBED CN(CC#N)S(=O)(=O)CCCCS(=O)(=O)N1CCN2C(=O)OC[C@H]2C1 848969934 IGQFDVBIBSLDDG-GFCCVEGCSA-N 394.475 -0.982 30 20 GBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)nn1 969604791 KGJCZSCPXSNEPS-VDERGJSUSA-N 375.429 -0.419 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2nc3nccc(C)n3n2)C1 970716532 DRSMGUINUNUMOF-MQYQWHSLSA-N 386.412 -0.675 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CN3CCOCC3=O)C[C@H]21 972412246 ZJCAJGZBGGHJSX-VQHPVUNQSA-N 391.468 -0.114 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2ncn(C)c2=O)cn1 998955528 YVSJLKIXWVIJJP-PMPSAXMXSA-N 380.408 -0.480 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2cncc(C(=O)N(C)C)n2)C[C@@H]1O 1044660082 ANBSUYVYIHXPAZ-GUSZCTEKSA-N 389.456 -0.175 30 20 GBED C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)CN1C(=O)CCC1=O 1109270581 NGFJJQBETIIHHD-UGUYLWEFSA-N 377.441 -0.742 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H](C)n1cncn1 1110450941 DNIWAWJGPMVFNS-SYQHCUMBSA-N 375.433 -0.428 30 20 GBED C=CCn1cc(CNC(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)nn1 1118169135 APLDTGCQUKQSHO-ZDUSSCGKSA-N 396.407 -0.076 30 20 GBED COc1cc(NC(=O)C(=O)NC[C@H](O)CN2CCCC2=O)c(F)cc1C#N 1118861507 JTWWJSRORUISSN-NSHDSACASA-N 378.360 -0.256 30 20 GBED COCC#CCN[C@@H]1CN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C[C@H]1C 1215199007 NUYHYFOXMJRDKP-MKXGPGLRSA-N 379.501 -0.048 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)NC2CCN(CC(=O)NC)CC2)CC1 1322132631 JDPQQFMHFNTCOK-UHFFFAOYSA-N 379.505 -0.530 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1)[C@H]1CCCO1 1323588136 RSJUSWHAVSCWAX-SGMGOOAPSA-N 375.385 -0.865 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)nn1 1325965566 TZTNVFBDZSQREN-HZPDHXFCSA-N 376.461 -0.160 30 20 GBED CCCS(=O)(=O)NC1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1328427032 WBUJPMBAIHVNOM-INIZCTEOSA-N 386.474 -0.816 30 20 GBED Cc1nc(C(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)ccc1C#N 1329326933 ZJXLXYLXUYDJKC-UHFFFAOYSA-N 385.471 -0.008 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)CC1 1335469931 AMURFSIBDRRZOJ-UHFFFAOYSA-N 380.489 -0.415 30 20 GBED C#CCOCCN(C)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 1336068003 UFFYRMVTCWGILZ-UHFFFAOYSA-N 384.436 -0.058 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 1346553368 PIZYSVPNDSZVCI-HJPHCXOUSA-N 389.456 -0.238 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1565049693 IMHQWZSOOIQADV-GJZGRUSLSA-N 379.442 -0.403 30 20 GBED COCCN(CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1ccc(C#N)nn1 1579802861 XXKQBMGLZBQRAX-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED Cn1c(=O)[nH]c(N2CCO[C@@H](c3ccc(C#N)cc3)C2)c(-c2nn[nH]n2)c1=O 1581748189 RRUSGGOGIFNTQN-GFCCVEGCSA-N 380.368 -0.297 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H](OC)C1 1588356101 SRQQQIKFXLZZRU-ZLKJLUDKSA-N 387.400 -0.811 30 20 GBED C=CCOCC(=O)NCCN1CCC(N=c2cc[nH]cc2-c2nn[nH]n2)CC1 1588676596 WRKDUWVFLIKIJC-UHFFFAOYSA-N 386.460 -0.121 30 20 GBED CN(C)S(=O)(=O)CCNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1591023614 UXSBAIAJCMSHRV-CYBMUJFWSA-N 377.430 -0.443 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C)C[C@@H](C(=O)O)C1 1593338700 BGUKHDUIBXDVTF-GXTWGEPZSA-N 394.453 -0.300 30 20 GBED N#Cc1c(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cccc1C(=O)O 1601081088 CVKVUIRHRCCCTC-UHFFFAOYSA-N 394.453 -0.049 30 20 GBED C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)C(=O)NCCCCC#N 1603939719 ANGHIBQLXPVIGO-LBPRGKRZSA-N 398.431 -0.496 30 20 GBED CS(=O)(=O)NCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1 1771369131 XHJDSMSVUJQLIY-AWEZNQCLSA-N 391.457 -0.458 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1781362540 PCFZYTOUQSATLS-VCBZYWHSSA-N 377.441 -0.525 30 20 GBED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@H]1NC(=O)NC1=O)CCO2 1784196478 WEUDZRYJERBHHF-KUHUBIRLSA-N 390.440 -0.392 30 20 GBED NC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1785628984 HCDMXAKKYHEFED-IBGZPJMESA-N 392.456 -0.817 30 20 GBED C[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788660992 TWNCHPSXYMNATQ-OYGROMBTSA-N 383.445 -0.124 30 20 GBED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1788771605 FHMYFNPNGGBDKS-XSLAGTTESA-N 391.468 -0.469 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N(C)CC)C2 1792490960 VUGOYIMIAWUVMS-JTVGABBVSA-N 392.500 -0.225 30 20 GBED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1792632365 SMGSDHIRJXQGFP-GNXNZQSNSA-N 387.396 -0.072 30 20 GBED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCN(C)CC1)C2 1793384186 PBOSDUUXEUKNNM-MVJTYMMSSA-N 398.573 -0.222 30 20 GBED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1nc[nH]n1 1796029924 VJLPKXYIWNMGPE-NXJPSLSCSA-N 392.416 -0.463 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2nccc12 1799974308 NUGIGJZHXAHGAP-IVWMJMPLSA-N 382.376 -0.375 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)ccc1F)C2 1800779616 PUSDCRVJODIOTO-YQYWCBKUSA-N 376.340 -0.178 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1803544877 YCCXXHCNMHZODM-UWWQBHOKSA-N 397.439 -0.188 30 20 GBED Cn1ncnc1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1805281718 BGEPGECPOYAKKH-CZUORRHYSA-N 382.380 -0.382 30 20 GBED C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824977596 ZJYUVOPVMKHRGS-KRWDZBQOSA-N 395.525 -0.030 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CNC(=O)C3)sc2C1 1825203255 HWAAFKUYAMEPOZ-DTWKUNHWSA-N 376.394 -0.721 30 20 GBED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CCNC(=O)C3)sc2C1 1826228366 LMCMXPQYWPIFRF-UWVGGRQHSA-N 390.421 -0.331 30 20 GBED Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)no1 1830053233 ILAJPDBMKQEVRB-SFHVURJKSA-N 391.428 -0.073 30 20 GBED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831413207 QHORJZCBRUPGOA-LJQANCHMSA-N 394.424 -0.486 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1832461059 OOOOZALPPCGTJL-KRWDZBQOSA-N 385.486 -0.502 30 20 GBED Cc1noc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)n1 1836069479 RTASTGHHZKMHOY-KRWDZBQOSA-N 377.401 -0.319 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CN)C2)C1 1839174477 FIHGNRWJHLORJJ-KXBFYZLASA-N 397.472 -0.453 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4nccn4)CCO3)C2)C1 1839234526 DEFMMBRSGVTDGQ-GOSISDBHSA-N 375.429 -0.299 30 20 GBED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1839840229 AXGOTMZNGRQSCI-KHYOSLBOSA-N 396.488 -0.752 30 20 GBED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1845440072 OMNXKKCHOJSJHA-ZDUSSCGKSA-N 381.385 -0.879 30 20 GBED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cscn2)c1=O 255394593 POWSSNQQXUFUII-UHFFFAOYSA-N 376.463 -0.206 30 20 GBED C=CCn1c(=O)/c(=C\c2cnn(C)c2)s/c1=C(\C#N)C(=O)NC[C@@H]1CCCO1 297106604 ZPSDHFORMAUVHQ-AXRHMRHQSA-N 399.476 -0.372 30 20 GBED CCc1c(/C(O)=N/CCN2CCN(C)CC2)cnc2c1c(=O)n(C)c(=O)n2C 328702819 XMYQCYOQVRTFTA-UHFFFAOYSA-N 388.472 -0.253 30 20 GBED C=C(C)CS(=O)(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 408401407 BXCSPCRXIJOFGL-KBPBESRZSA-N 381.520 -0.136 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)C1=O 478778011 QKLXOJLHOTWIGG-HNNXBMFYSA-N 388.424 -0.588 30 20 GBED CN(CC(=O)NCCN1C(=O)CCC1=O)S(=O)(=O)c1ccc(C#N)cc1 505940876 JSQCHZBBKNKCJS-UHFFFAOYSA-N 378.410 -0.556 30 20 GBED CNC(=O)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCO1 542904017 XXFHBXNGCFCQIA-CQSZACIVSA-N 380.426 -0.534 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)Cn3nc4n(c3=O)CCCC4)CC2)c1C#N 593140789 VPHPXASSZSVFFM-UHFFFAOYSA-N 384.444 -0.357 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN([C@H]4CCOC4)CC3)CC2)o1 611348882 OFQKGNQXOITZBY-INIZCTEOSA-N 388.472 -0.090 30 20 GBED CC#CC[C@@H](CO)NC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 646952653 FIIFRAPHOLINIU-ZDUSSCGKSA-N 379.438 -0.626 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1cccnc1 727813977 HOBMXQJSYMXUNH-UHFFFAOYSA-N 394.460 -0.470 30 20 GBED C#CCNC(=O)COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCOC 749957590 VHIWIEGSZJVGLT-HXUWFJFHSA-N 399.403 -0.096 30 20 GBED O=C(C#Cc1ccc2c(c1)OCO2)N1CCN(C(=O)CN2CCOCC2)CC1 761710138 ZMLKGHUFSIWCIM-UHFFFAOYSA-N 385.420 -0.230 30 20 GBED CNC(=O)CNC(=S)NN=C(C)c1ccc(Cl)c(S(N)(=O)=O)c1 764691555 BURKMGIHEXBNMD-UHFFFAOYSA-N 377.879 -0.079 30 20 GBED C=Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)cn1 772313628 KRMGYRZAOGCXOV-UHFFFAOYSA-N 385.449 -0.190 30 20 GBED COc1ccc(N2CCN(C[C@H](O)CNCCn3cnc(C#N)n3)CC2)cc1 819305210 IAIKBFYNMFRSOY-QGZVFWFLSA-N 385.472 -0.069 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2sccc2S(N)(=O)=O)CC1 826554803 NQNWXSALAIDUFJ-UHFFFAOYSA-N 384.483 -0.707 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC3(CCNC3=O)CC2)c1=O 872787755 HHCVWRIHJNCMQP-UHFFFAOYSA-N 375.429 -0.897 30 20 GBED C#CC1(O)CN(C(=O)c2cc(Br)c(C(=O)N3CC(O)(C#C)C3)o2)C1 890525193 NPHZUYWBGGUOHQ-UHFFFAOYSA-N 393.193 -0.318 30 20 GBED C#CC1(O)CN(S(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)C1 908228360 DDJKDJXCIXDJMC-UHFFFAOYSA-N 376.431 -0.544 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@H]1OC 946820238 SQKXCCLMPTWISD-LUYZLQTOSA-N 390.440 -0.040 30 20 GBED C#Cc1ccc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H]4OCCO[C@H]4C)C[C@@H]32)cn1 960709360 PCLMYMODGFGGFQ-RUGDWHBFSA-N 385.420 -0.081 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c(C)nnn2CC)C[C@@H]1O 964614147 ZTGZSEVLHOAMFN-KBXIAJHMSA-N 377.445 -0.111 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)CN(C(=O)C(N)=O)[C@@H]1COC[C@@H]12 1026109647 RLAIZIXKIJAPJF-QXSJWSMHSA-N 391.468 -0.081 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CC[C@@H](OCCN2CCOCC2)C1 1116492684 PWCANYNUJVQBPU-RAJOGRCSSA-N 392.456 -0.147 30 20 GBED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2cc(C)c(C#N)cn2)CC1 1118374365 QINPOIFBFUHYAK-UHFFFAOYSA-N 386.412 -0.603 30 20 GBED C=CCn1c(C2CC(O)C2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1121644979 WROWMFHPQPDSIB-UHFFFAOYSA-N 388.472 -0.027 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2C[C@@H](CO)[C@@H](O)C2)CC1 1261312179 LQYIETMSUWLANZ-LRDDRELGSA-N 376.388 -0.842 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(Cc3cccnc3)CC2)CCN1C1CC1 1329384945 XFHWCSLRPUPOIX-SFHVURJKSA-N 382.468 -0.075 30 20 GBED CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C1 1332155043 GUCLTOAMIOZGGY-ZDUSSCGKSA-N 380.426 -0.667 30 20 GBED N#Cc1sccc1N1CCN(C(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 1334084542 SSGNOABZXPJMJV-LBPRGKRZSA-N 396.494 -0.038 30 20 GBED C=CCSCCn1nnnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1335652881 MVLYNPINJLAUFV-UHFFFAOYSA-N 395.489 -0.900 30 20 GBED N#CCOc1cccc(CC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 1341226874 ABWXHWZERJVPMT-AWEZNQCLSA-N 379.438 -0.059 30 20 GBED Cn1c(C[C@H](O)CC#N)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1343460938 LTJRQLUBSFNNDB-OAHLLOKOSA-N 375.477 -0.233 30 20 GBED CN1CCC(CNC(=O)C(=O)N2CCC[C@@H](C#N)C2)(N2CCOCC2)CC1 1351481444 GQJIXTWKKNPGBT-INIZCTEOSA-N 377.489 -0.339 30 20 GBED CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1552888503 UWJLZBMGQPQTPL-NHYWBVRUSA-N 399.452 -0.437 30 20 GBED C#CCNC(=O)[C@H](C)NCC1(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCC1 1588353590 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VSQDFUAFMBSCSY-AWEZNQCLSA-N 381.410 -0.119 30 20 GBED CN(C)CC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779100290 ANJSEUJSLFOWOG-RIYWLQNKSA-N 382.461 -0.093 30 20 GBED CN1N=C(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)CCC1=O 1780331017 KQWYDGRWERGUGP-LJQANCHMSA-N 398.423 -0.062 30 20 GBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1783047442 DDEOHUSQGQJOAE-CWTRNNRKSA-N 386.408 -0.544 30 20 GBED C[C@@H](Nc1nccs1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561607 BTXZZQYLPFNQQQ-PXAZEXFGSA-N 392.437 -0.139 30 20 GBED COC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1784259891 MPBVCUZIJNGWMN-SFHVURJKSA-N 395.460 -0.546 30 20 GBED O=C(O)C#CC(=O)NC1(c2ccc(NC(=O)CN3C(=O)CNC3=O)cc2)CCC1 1786644403 PEIMTJWAGYAWRT-UHFFFAOYSA-N 398.375 -0.240 30 20 GBED CC[C@@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21 1787408456 WGUXZQUEWPMBFY-FQUUOJAGSA-N 377.445 -0.283 30 20 GBED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C2 1796045019 LGTRWICVACAYCW-XGUBFFRZSA-N 392.504 -0.501 30 20 GBED N#CCCC(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807045643 XLZRSSKMFKRXNW-VKJFTORMSA-N 386.456 -0.016 30 20 GBED C[C@H](S)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814810282 NOKYBYLPPQFNSW-YIZRAAEISA-N 385.515 -0.034 30 20 GBED CN1CCCC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830762393 HAOJWNYEHNKGIW-DNVCBOLYSA-N 393.440 -0.985 30 20 GBED N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)c1ccccn1 1831213698 ZNDWSXIPFPLSKG-TZIWHRDSSA-N 398.463 -0.049 30 20 GBED Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cc1O 1833401479 PPOYOBYWCFNKDN-SFHVURJKSA-N 391.428 -0.255 30 20 GBED C[C@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1835527141 ADRCOMQOCOVBFH-QJNITLFRSA-N 392.456 -0.250 30 20 GBED N#CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527904 ZWDHWUHIJFHIJH-HLNVMSFQSA-N 394.428 -0.115 30 20 GBED C[C@H](NC=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839160159 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30 20 GBED C[C@@H](O)CN(C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@H](C)CO 297748705 LJQZMIQBCHMMMA-HZPDHXFCSA-N 388.468 -0.207 30 20 GBED N#Cc1ccc(OCC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 299689750 UGBOQLMZYGDNNM-CVEARBPZSA-N 379.438 -0.761 30 20 GBED N#CC1(CNS(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)CCCC1 348375717 GGZDGYRZXBZREQ-UHFFFAOYSA-N 376.464 -0.060 30 20 GBED CN1[C@H]2CC[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)NCC#N)CC2 349618881 ONQAIMBRIRLZOO-KBPBESRZSA-N 378.520 -0.292 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 409474393 KGRVHTFIDZABRN-DZGCQCFKSA-N 395.485 -0.485 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)CCO1 409583560 FLTWRRAPVSRHTI-INIZCTEOSA-N 378.454 -0.158 30 20 GBED CN(C)CCn1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)n1 448480571 AWBSLODNFLXDPK-UHFFFAOYSA-N 396.455 -0.001 30 20 GBED Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)NCC(=O)NCC#N)CC1 511908860 FHIWKOKWUWAJPB-UHFFFAOYSA-N 398.445 -0.663 30 20 GBED CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 538097279 FDHCLNNWVKXEJL-UHFFFAOYSA-N 376.417 -0.236 30 20 GBED CCS(=O)(=O)N1CCC(CNS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 548818449 VNOSABWRIGLICN-CYBMUJFWSA-N 380.492 -0.893 30 20 GBED C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ccc(C#N)cn1)C(C)(C)O 594637514 DDGNQAZMBUQOPQ-LLVKDONJSA-N 390.487 0.164 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1 599937099 DECBQEUEEPGZEU-GJZGRUSLSA-N 378.454 -0.496 30 20 GBED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@H](O)COc1ccc(CC#N)cc1 610967637 MEEAJSUWRNLIMF-HOTGVXAUSA-N 395.481 -0.273 30 20 GBED CCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCOC)c2=O)cn1 732561296 LDTBPMZHZWVLAB-UHFFFAOYSA-N 389.481 -0.200 30 20 GBED C#CCN(C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCS(=O)(=O)C1 735374064 ALQMIRYRMZSNDC-LSDHHAIUSA-N 391.453 -0.271 30 20 GBED C[C@H](CC(=O)N1CCN(CC(N)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742589172 GOIYZGNSCPZSOL-GFCCVEGCSA-N 393.469 -0.867 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 761038678 QBEPXSLAGFCDJQ-QGZVFWFLSA-N 392.481 -0.422 30 20 GBED CCS(=O)(=O)NCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767674897 GZKXLZAOSGWNSK-LLVKDONJSA-N 389.455 -0.292 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(NC(=O)OC)cc2)CC1 777929232 IOXIPJXLCDQDTG-UHFFFAOYSA-N 394.453 -0.079 30 20 GBED C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)NC2(C#N)CCC2)C1=O 783981367 UNZBKHZOCZHTSQ-QGZVFWFLSA-N 394.395 -0.008 30 20 GBED C#CCOCCNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 785164954 PJMPFJAGZQMTMF-UHFFFAOYSA-N 388.424 -0.338 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(=O)O)cc2)c(=O)n1C 833376976 IHSKLRXVLGVDHG-UHFFFAOYSA-N 399.428 -0.285 30 20 GBED COCCN(CC#N)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 861942388 MQXROFSBVFFPAI-UHFFFAOYSA-N 388.833 -0.284 30 20 GBED C#CCN1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)CC1 886352081 UKEUMCJNUUNODC-MRXNPFEDSA-N 380.489 -0.323 30 20 GBED N#Cc1ccc(NCCNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)nc1 914860638 CZKZNWINXFRVKW-ZIAGYGMSSA-N 391.453 -0.483 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cn(C)nc2C)C[C@@H]1O 964504503 WLXKWKVPWDECNM-DFGXFYAUSA-N 376.457 -0.060 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3ncn(C)c3=O)C[C@H]21 975261586 KCLMUFDCYPJTAV-TUVASFSCSA-N 375.429 -0.768 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 1117584177 NGNAADKBIVPMFU-WFASDCNBSA-N 376.500 -0.126 30 20 GBED CC(C)OC(=O)CCNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1256907582 YYSGJMOTPSOGIG-ZDUSSCGKSA-N 388.428 -0.157 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 1261092685 LHXHBUIZHUHDQM-UHFFFAOYSA-N 393.469 -0.452 30 20 GBED N#Cc1cc(CN2CCOCC2)cn(CC(=O)[C@@H]2CCS(=O)(=O)C2)c1=O 1261597113 PMDKVBIQOZVHIO-CQSZACIVSA-N 379.438 -0.444 30 20 GBED C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CCN1C 1324563140 NPEXTTOPXFZESC-RBSFLKMASA-N 385.472 -0.016 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CCN(CC)C(=O)[C@@H]2CC)CC1 1325031741 LNGXMGHGJPBISK-HNNXBMFYSA-N 376.457 -0.556 30 20 GBED COC(=O)NC1CN(C(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)C1 1325936740 JSZGQHPINDUUHQ-UHFFFAOYSA-N 392.441 -0.461 30 20 GBED C=C[C@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 1328431447 HRMIYJPSBFVIBQ-OCCSQVGLSA-N 390.483 -0.569 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cccc(NS(=O)(=O)CC)c2)CC1 1331985392 HQRJNWGHDHJZFR-UHFFFAOYSA-N 392.481 -0.045 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)Cc1ccccc1)[C@@H]1CCCO1 1332760496 HZVMUECGLMAQHV-CVEARBPZSA-N 393.465 -0.481 30 20 GBED C=CCn1c(Cn2cc(CCO)nn2)nnc1N1CCN([C@@H]2CCOC2)CC1 1356186619 YQPJPBNKTPAHNZ-MRXNPFEDSA-N 388.476 -0.450 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)Cn3ncn4nccc4c3=O)C2=O)cc1 1448848004 QAPCMNUEWGQDIN-HNNXBMFYSA-N 391.391 -0.320 30 20 GBED C=CCNC(=O)CN1CCC(CNC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)CC1 1575103731 HYZYIWBGSBDLMQ-KRWDZBQOSA-N 389.504 -0.101 30 20 GBED C[C@H](CNC(=O)CC#Cc1ccccc1)NC(=O)CC(=O)NCc1cnn[nH]1 1575581053 QXBPGUVTAQGAID-CQSZACIVSA-N 382.424 -0.126 30 20 GBED CCO[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1578380677 XJOWSKJFCBBJGU-ZKYQVNSYSA-N 386.416 -0.052 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H](C)N(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588354412 MGCKILRBOLHABO-JQWIXIFHSA-N 384.400 -0.947 30 20 GBED C[C@]1(CNC(=O)CSCC#N)CN(c2nccnc2-c2nn[nH]n2)CCO1 1590127414 XZESCXSLPYYDIH-HNNXBMFYSA-N 389.445 -0.375 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N2Cc3cccc(-c4nn[nH]n4)c3C2)CC1 1592676869 DVEKZUJEIJGHLK-UHFFFAOYSA-N 380.412 -0.233 30 20 GBED N#C[C@]12CN(S(=O)(=O)[C@@H]3CCCC[C@H]3C(=O)O)C[C@H]1CS(=O)(=O)C2 1601079428 CLMHDBABUCKEPI-FMCLSXCISA-N 376.456 -0.170 30 20 GBED C=CCOCC(=O)N[C@H]1CCN(c2snc(C)c2-c2nn[nH]n2)C[C@H]1O 1602868597 QNQYFUIUFOSBRR-WDEREUQCSA-N 379.446 -0.110 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CC34CCCN3CCC4)C2)C1 1781134471 JQFSFNNVVVYXED-HXUWFJFHSA-N 389.452 -0.077 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1788576027 HQXNWSARNQSAHL-AJNGGQMLSA-N 378.425 -0.373 30 20 GBED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)COCCO)C[C@@H]21 1788679726 JGJGDVDQTUJQPW-DAOKTODISA-N 393.440 -0.313 30 20 GBED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC)NC(C)=O)C2 1800490446 YWCZYDKLNYJLNB-RKOFLFEYSA-N 381.473 -0.061 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccnc1Cl)C2 1800772998 CQIVJCCRHDVKOS-FVCICTRLSA-N 391.811 -0.045 30 20 GBED N#CCCC(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1804345492 YTKXZAMQPBVURN-JKIFEVAISA-N 398.423 -0.011 30 20 GBED CN(C)C(=O)NCC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825660662 PONRLMQALHCYED-SECBINFHSA-N 393.425 -0.586 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCNC(=O)C3)CCO2)C1 1840227066 DWDLCMGXVBLMND-AUUYWEPGSA-N 392.456 -0.481 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1 1841960152 JRMIEJLIMCRAAD-VXGBXAGGSA-N 378.429 -0.639 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 266580145 HVVUHWLUYGLKGA-LBPRGKRZSA-N 385.446 -0.478 30 20 GBED CN(C)C(=O)Cn1cc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nn1 277685255 CKLUKYQBHKIZLO-HNNXBMFYSA-N 395.423 -0.231 30 20 GBED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(c2ncnc3c2cnn3C)CC1 282976921 XDBGDDZLHAEIOW-LBPRGKRZSA-N 378.462 -0.178 30 20 GBED COC(=O)CC[C@@]1(C)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 289457789 FWXMUTHSYMFYBD-MRXNPFEDSA-N 394.409 -0.009 30 20 GBED CN1CCN(C(=O)CC/N=C(/O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)CC1 330122889 ALHXWMDVKRODLU-CYBMUJFWSA-N 375.495 -0.970 30 20 GBED CN(C1(C#N)CCC1)S(=O)(=O)CCCCS(=O)(=O)N1CC(C)(O)C1 349620976 QDIFLIVCFZSJAK-UHFFFAOYSA-N 379.504 -0.129 30 20 GBED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1CCS[C@H]2COCC[C@@H]21 349622853 RSTZXRZDKREYMG-STQMWFEESA-N 397.544 -0.254 30 20 GBED C=C(C)CN1CCC(NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1 469236638 JJTNTFJYEAZXSM-UHFFFAOYSA-N 383.474 -0.451 30 20 GBED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)s1 477035529 PKKJIXUZXVQKBF-UHFFFAOYSA-N 391.474 -0.121 30 20 GBED C=CCNC(=O)CNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 482611172 UVPOJEYNFMDUFC-UHFFFAOYSA-N 383.430 -0.474 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCNC(=O)c2c(F)cccc2F)C1=O 494168912 CSVVCULBUFENRP-UHFFFAOYSA-N 394.334 -0.212 30 20 GBED COC(=O)[C@@]1(NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCOC1 502745874 ZWRFSHMAWVWCPM-QGZVFWFLSA-N 377.401 -0.575 30 20 GBED CN(CC(=O)Nc1nc(S(C)(=O)=O)n[nH]1)S(=O)(=O)c1ccc(C#N)cc1 512577987 OJKVUZGXCYZUMY-UHFFFAOYSA-N 398.426 -0.661 30 20 GBED O=C1CN(CCNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CCN1 513644427 BKPZVQBWQGJIKZ-UHFFFAOYSA-N 391.431 -0.032 30 20 GBED CN1CCC(C#N)(NC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 527245406 XQOUGVOTPJCWBT-INIZCTEOSA-N 377.445 -0.294 30 20 GBED CN(CC(=O)NCCCn1cccnc1=O)S(=O)(=O)c1ccc(C#N)cc1 556878524 KJWKXPIUJFEOIN-UHFFFAOYSA-N 389.437 -0.058 30 20 GBED C[C@@H](N)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCO1 591577161 RYLYERNUIYOMLK-DYVFJYSZSA-N 389.431 -0.079 30 20 GBED COCCN(CC#N)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 594375464 QHMBZRYRYKKJPB-HIFRSBDPSA-N 385.417 -0.052 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 599502062 QUPUHOKBXDHVFG-KRWDZBQOSA-N 397.501 -0.021 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)CC1 602244105 AICDFNMWWLSASS-IRXDYDNUSA-N 377.489 -0.196 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccccc1 603552985 NAXBTZUCYCHFBF-UHFFFAOYSA-N 379.445 -0.059 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC(=O)NC2CCCC2)C1=O 726043744 REPDOHGDZMCDAW-UHFFFAOYSA-N 380.357 -0.725 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NCC#N)cc1 731235133 DZEHQRFCZBTTTB-UHFFFAOYSA-N 382.398 -0.552 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1Cc1ccon1 765146358 UYFBBTMCUTUDKN-UHFFFAOYSA-N 398.448 -0.027 30 20 GBED C#C[C@H](NCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)[C@@H]1CCCO1 775788698 IXHMGRJLJWCXLA-HOTGVXAUSA-N 383.456 -0.218 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)OC)CC2)cc1 779549289 HBCLRGILMMGWGD-UHFFFAOYSA-N 379.438 -0.471 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3CC(=O)N(C)C[C@@H]3C)CC2)c1C#N 839337703 WVGKEYVDLNFRBS-NSHDSACASA-N 390.469 -0.339 30 20 GBED Cn1ncc(CNS(=O)(=O)c2ccc(S(=O)(=O)NC3(C#N)CC3)cc2)n1 848929022 BZFVAKLLFUKGED-UHFFFAOYSA-N 396.454 -0.372 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@@H]1O 964489933 OFHHCCRXZGECPY-KRXQYRFLSA-N 375.425 -0.483 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@@H]1O 970702698 XZMDQWJOVXHGIW-RZFFKMDDSA-N 376.413 -0.442 30 20 GBED N#Cc1nccnc1N1C[C@H](O)[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1 1044767770 LILVDEQVUCZQET-KXNHARMFSA-N 387.318 -0.640 30 20 GBED C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CN(c2ccc(C#N)nn2)C[C@@H]1n1ccnn1 1051472766 WBMUIFGUQQFCRT-AEIGPULVSA-N 384.400 -0.710 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCN2C(=O)CCC2=O)C[C@H]1OC 1082227658 YBPWRAFHARLDTJ-BORJPKMPSA-N 379.457 -0.068 30 20 GBED COc1ccc(CN2C[C@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)cc1C#N 1083775365 RNCOJXHEAADQIY-YQFWSFKMSA-N 388.424 -0.739 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(-n2ccnc2C)nc1 1117035082 FEOKRBJRMCUAHB-UHFFFAOYSA-N 391.453 -0.091 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCC(O)(CO)CC3)CC2)c(F)c1 1118502506 AHKPFBLLFVURKE-UHFFFAOYSA-N 390.415 -0.308 30 20 GBED CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCc1ccc(OCC#N)cc1 1322722430 KPOQCPJBFRVGFP-INIZCTEOSA-N 390.440 -0.643 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 1325475959 RXONYXSXHXWXSC-CYBMUJFWSA-N 379.417 -0.617 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)C1 1326248476 JJIPYOFHKAXGGJ-LJQANCHMSA-N 385.424 -0.689 30 20 GBED C=CCN(C(=O)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1)[C@H](C)COC 1327399017 DCLFJDAQUCFQLY-CYBMUJFWSA-N 375.491 -0.082 30 20 GBED Cc1cccc2nc(CNC(=O)C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cn12 1328703254 PJLIHNYUTLIMAI-WUKNDPDISA-N 396.407 -0.098 30 20 GBED N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)NC[C@@H]3COCCN3)CC2)c1 1331621279 QYFLJBPRTFNRSM-QGZVFWFLSA-N 399.451 -0.160 30 20 GBED C[C@@H](Sc1nnnn1C1CC1)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1342562152 XDFGRSJDQKWZGG-MWLCHTKSSA-N 398.470 -0.546 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccc(O)nn3)c2C)CC1 1342819617 KEPFYOXKHOKRKY-UHFFFAOYSA-N 383.412 -0.816 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 1346167360 FOFORVJNGOGSMH-HNNXBMFYSA-N 397.501 -0.883 30 20 GBED C[C@H](O)C[C@@H]1CCCCN1C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1346276595 LJBGVRNYACQTGR-SAFUZZNQSA-N 378.429 -0.219 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[nH]n3)C[C@@H]2O)nc1 1573287521 JGWUFDDTSIATBW-OCCSQVGLSA-N 391.395 -0.597 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(C(=O)CCOCc2cnn[nH]2)CC1 1575039440 NZRRFXVKQYHXFB-INIZCTEOSA-N 392.460 -0.147 30 20 GBED C#CCN1CCC(C(=O)NCC2(N=c3cc[nH]c(-c4nn[nH]n4)n3)CC2)CC1 1588351951 QEYHDILKWPGNGI-UHFFFAOYSA-N 381.444 -0.516 30 20 GBED C=CCCOCC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588616372 FMGFZFNRYFBJEW-GFCCVEGCSA-N 389.416 -0.255 30 20 GBED C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)O)C1 1602901856 ZLHHGGHFLNCOIL-RYUDHWBXSA-N 376.417 -0.168 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778382056 NUDQTMYXRYXCHC-FQEVSTJZSA-N 399.451 -0.127 30 20 GBED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]32)C1 1783461427 VGOCZKZJQJZSDT-HNKHHVNMSA-N 378.473 -0.475 30 20 GBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCN(C(C)=O)CC1)CCO2 1783916141 ZNLLLINMTSLULB-IBGZPJMESA-N 378.473 -0.444 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)CC)[C@H]2C1 1783949317 AOHCLOAYESCXNI-VIDVPJGOSA-N 379.457 -0.405 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784740996 UIEBRPVMDQRIPM-YOEHRIQHSA-N 386.470 -0.711 30 20 GBED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCNC1=N)C(F)(F)F 1795582201 RFGPUZFRFNHFMT-PTEHBNRSSA-N 389.378 -0.466 30 20 GBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2cccnn12 1798497893 BWDDFFFEJRXJEE-DPIQGUFMSA-N 382.380 -0.794 30 20 GBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800395546 KVSBMBXCWKPCLO-YYHQMBLXSA-N 376.500 -0.529 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830057896 LKLWRTONKLBBAJ-KUHUBIRLSA-N 392.456 -0.317 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)[C@H](C)CC)C2)C1 1831393372 KPGQJJNHGBTDRJ-WOCWXWTJSA-N 395.500 -0.146 30 20 GBED CC(C)n1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)n1 1834759870 ALFAIICPCXLEBE-KRWDZBQOSA-N 376.417 -0.157 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)NCC)CCO2 1837386163 MQZNCRJQZQLNOD-KXBFYZLASA-N 394.472 -0.436 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1840158517 MXUWZAKPUMLEAG-SJKOYZFVSA-N 398.485 -0.631 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1840162540 ZPVGNOZKSYVAMI-SCLBCKFNSA-N 395.481 -0.226 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1841580523 RNUDMRJKUVZLNS-KGLIPLIRSA-N 385.486 -0.444 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)c2cnccn2)C1 1844331743 LLPVWBYTDJXWCH-GJZGRUSLSA-N 399.451 -0.163 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@@H](COC)NC(C)=O)C1 1844386154 LWYBYSPJZQWBDN-OAHLLOKOSA-N 395.456 -0.150 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NC(=O)c1cnccn1 1847805305 UFYXVUMBEFAWTJ-FSDCSDTHSA-N 399.451 -0.165 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)c1ccc(CCNS(C)(=O)=O)cc1 17259954 WGGZLGJQRAPOJT-UHFFFAOYSA-N 383.426 -0.053 30 20 GBED C#CCN1CCN(C(=O)[C@@H]2CN(Cc3nc4ccccc4c(=O)[nH]3)CCO2)CC1 174830494 SSZLWZWMQCOMJG-SFHVURJKSA-N 395.463 -0.099 30 20 GBED C/N=C(/NCC1(CS(C)(=O)=O)CC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 261788194 QAGFZUPULOOWKH-MRXNPFEDSA-N 399.517 -0.303 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](CNC(C)=O)C2)c1 265545969 IKZXLTYCNZTFKU-OAHLLOKOSA-N 379.438 -0.425 30 20 GBED CCN1CCN(CC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C(=O)C1=O 268428919 XVNRVXBLCFQTLQ-CYBMUJFWSA-N 385.428 -0.924 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCN1CCNC(=O)C1 270945513 DANJNRXWEGJBEX-ZDUSSCGKSA-N 393.469 -0.837 30 20 GBED Cn1c(N2CCC(S(=O)(=O)N3CCCC3)CC2)c(C#N)c(=O)n(C)c1=O 283445640 IENGGDVRBNTIKH-UHFFFAOYSA-N 381.458 -0.650 30 20 GBED COC[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CCCO1 289800112 RDPIJTJZJDRYIB-JKSUJKDBSA-N 387.440 -0.088 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)cc1 290334932 BZSPHVYVRWKEET-CQSZACIVSA-N 391.453 -0.101 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)CC#N)CC[S@](=O)C1 349464299 WBLMDSYKJOPUNL-QKVFXAPYSA-N 385.533 -0.808 30 20 GBED C[C@H]1CN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C[C@H](CO)O1 459863371 JQTUNJXWHBYJKE-MAUKXSAKSA-N 386.452 -0.189 30 20 GBED COC(=O)CN(CC#N)C(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O 500606977 VIMDMBNFQMIWIO-DOMZBBRYSA-N 383.426 -0.452 30 20 GBED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CC(N)=O 550104425 UKSMOBAUGOCRJV-UHFFFAOYSA-N 388.424 -0.438 30 20 GBED CC(=O)N1CC(NS(=O)(=O)c2ccc(S(=O)(=O)NC3(C#N)CC3)cc2)C1 574053803 PZXHWMAUGIYIGW-UHFFFAOYSA-N 398.466 -0.470 30 20 GBED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 576025436 GEYMXKODKZNARH-CABCVRRESA-N 384.440 -0.367 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 589397921 IIMXGULGVHGKKB-SJORKVTESA-N 392.481 -0.106 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCNC[C@@H]3C(C)C)CC2)c1C#N 600797660 NRUJWBHDTINQJQ-MRXNPFEDSA-N 387.488 -0.295 30 20 GBED COC(=O)CN(CC#N)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 610161405 JWNCLWNTJCWSDS-UHFFFAOYSA-N 381.410 -0.154 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)c1 615200018 DKVZDQHMDAINMJ-UHFFFAOYSA-N 392.437 -0.035 30 20 GBED C[C@@H](CC(=O)Nc1ccn(CC(N)=O)n1)/N=C1/NS(=O)(=O)c2ccccc21 742571642 USZRYIPWYDLKLK-JTQLQIEISA-N 390.425 -0.176 30 20 GBED C#CCN1CCN(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)CC1 749874553 MTRGNMDQNVPWTM-UHFFFAOYSA-N 392.481 -0.590 30 20 GBED N#CC(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1CC(N)=O 758589313 OOMWIGHLVASCQU-UHFFFAOYSA-N 380.433 -0.583 30 20 GBED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 800895683 VKRWOSSMCJXZMN-CYBMUJFWSA-N 381.524 -0.331 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(C(CC)CC)C2)CC1 831556830 VSWOVWYQAWTQKR-CQSZACIVSA-N 384.502 -0.365 30 20 GBED N#C[C@@H]1CNC[C@H]1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 843458830 AFKFSQCMGDEKTK-TZMCWYRMSA-N 394.453 -0.256 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 862193075 SVTBWFLLAMSPNP-HNNXBMFYSA-N 377.445 -0.302 30 20 GBED C=CCn1cc(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CCO2)nn1 944596618 FDUFNMBRVWXRNA-SGAAXARDSA-N 387.440 -0.155 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@@H]1O 964490563 VUUDSIQRCKHXEP-IVSAIRAKSA-N 375.425 -0.332 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@@H]2C1 1022393764 NLMIKWBGBLTIKZ-DGAVXFQQSA-N 376.413 -0.811 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(CCC)n2)C1 1023675442 TXEFGHYAQHESJO-MIGQKNRLSA-N 390.440 -0.454 30 20 GBED C#CCN1CCC(C(=O)NCC2(O)CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 1043427979 WAYRTSOTUFMREZ-ZACQAIPSSA-N 375.469 -0.411 30 20 GBED Cc1ccc(C#N)c(N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)n1 1051462275 YAKKSRLZRPJQIF-BARDWOONSA-N 380.412 -0.479 30 20 GBED C=C(Cl)CN1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094640902 WRBQUAXREBBBDP-LXTVHRRPSA-N 391.921 -0.232 30 20 GBED CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)N2CCC(CC#N)CC2)CC1 1118841396 LYNZEEDXRIBEPN-UHFFFAOYSA-N 377.445 -0.664 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCCOCCO)C1 1130038205 RRGYIKKYJSYDBZ-YVSFHVDLSA-N 379.461 -0.390 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(N[C@@H]2CCOC2)C1 1179008488 LROJFMIUZVEQPS-GFCCVEGCSA-N 378.454 -0.296 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCc1ccc(C#N)c(Cl)c1 1261716976 WYMUMIQVYLJRJJ-OLZOCXBDSA-N 385.829 -0.244 30 20 GBED N#CCNC(=O)CN1C(=O)N[C@@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O 1318338383 IIMGMWBSHHNLQC-OAHLLOKOSA-N 380.357 -0.610 30 20 GBED CN(C)[C@H](CNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccco1 1324547105 OFMQLHOXAGHEPG-KXEGMRRWSA-N 389.412 -0.359 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2)C1 1327517901 BBIPQBNDVJLZOC-HUUCEWRRSA-N 380.514 -0.424 30 20 GBED CN(C(=O)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)[C@@H]1CCNC1=O 1332839299 BMUYAIYBPWXZSY-QGZVFWFLSA-N 383.452 -0.014 30 20 GBED N#Cc1cn(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c(=O)nc1O 1440676594 OWBZKQSWOIIZIQ-INIZCTEOSA-N 383.408 -0.162 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[nH]n2)C[C@@H]1O 1573285407 HLRLBFPSXXHVFQ-ILXRZTDVSA-N 382.428 -0.975 30 20 GBED C[C@H](OCc1cnn[nH]1)C(=O)N1CCCC[C@@H]1CCNCC(=O)NCC#N 1575823281 OSTZOKWQDSOJKG-DZGCQCFKSA-N 377.449 -0.290 30 20 GBED CN(C[C@H](O)CNC(=O)CSCC#N)C(=O)c1cncc(-c2cnn[nH]2)c1 1576771705 YIXSZCOYYAMWKZ-CYBMUJFWSA-N 389.441 -0.327 30 20 GBED CCN(CCC#N)C(=O)CN[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1577909254 JJZSJWAUTPJTPO-ZDUSSCGKSA-N 385.432 -0.239 30 20 GBED N#C[C@@H]1CN(c2nnc(C3CCNCC3)n2CC(=O)NCC(F)F)CCO1 1580042607 XHPWHNJIJSUBHP-GFCCVEGCSA-N 383.403 -0.145 30 20 GBED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC#N)CC2)c(-c2nn[nH]n2)c1 1581211258 ZBLJOXBBNAAERJ-UHFFFAOYSA-N 375.414 -0.078 30 20 GBED C#CCNC(=O)C1CCN(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)CC1 1588353401 QLSDYZMQGMVKBY-UHFFFAOYSA-N 381.440 -0.056 30 20 GBED C#CCNC(=O)CN[C@@H](C)C1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1588354540 PGMYOAGZNDQOIJ-LBPRGKRZSA-N 384.444 -0.226 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2F)C[C@H]1O 1588358153 TZNWHAWEKGITOK-ZWKOPEQDSA-N 375.364 -0.895 30 20 GBED CN(C[C@@H](O)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(=O)CSCC#N 1591046484 UBBCTNIWDWHEBA-JTQLQIEISA-N 378.418 -0.999 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1ccc(OC)c(-c2nn[nH]n2)c1)[C@@H]1CCCO1 1602689953 XFPKUEUCQMXSDJ-ZFWWWQNUSA-N 384.396 -0.212 30 20 GBED Cc1nc(C#N)cc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)n1 1642362636 MEPKRJMGZCJBSF-CYBMUJFWSA-N 385.471 -0.704 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1778970249 ASHKSZYIBXLBPT-SCLBCKFNSA-N 378.429 -0.735 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1778975020 WBLSCHKBQHVFBM-CKFHNAJUSA-N 379.457 -0.475 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCCC1)C2 1782009273 IPCQQWRTNGOYPI-DNVCBOLYSA-N 377.441 -0.316 30 20 GBED Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)nc2nccn12 1783563516 SLCKWLMCRCGKDV-IBGZPJMESA-N 397.391 -0.431 30 20 GBED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1 1786839384 DIGBEAGBCLUYSQ-RZLSGREXSA-N 397.545 -0.240 30 20 GBED CN1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)C1 1788606463 RYTUPNICCBLCFP-DZJNWNRZSA-N 391.516 -0.001 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@](C)(O)C(F)(F)F)C2 1793340530 KIGNJBZPZYDTJY-DJUFWWRVSA-N 392.374 -0.072 30 20 GBED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1NC(=O)NC1=O 1793945635 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GBED C=CCn1c(Cc2noc([C@H](C)NS(C)(=O)=O)n2)nnc1N1CCOCC1 348335048 BBWDSWFPBMGEIZ-NSHDSACASA-N 397.461 -0.115 30 20 GBED C[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1S(=O)(=O)N(CC#N)CC#N 349452012 NOHMWCSTPXTCNP-OLZOCXBDSA-N 398.466 -0.132 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O 349479840 VJUXRMPRVAQTLQ-SBJFKYEJSA-N 391.515 -0.417 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@]2(CCOC2)C1 349485705 ATTQDHZTZNRUEW-CQSZACIVSA-N 379.504 -0.006 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)N2CCSCC2)nc1 349533167 PVDSKUHMBOQNAN-UHFFFAOYSA-N 390.512 0.464 30 20 GBED Cn1ncc2c1CCC[C@H]2NS(=O)(=O)CCCS(=O)(=O)NCC#N 349567698 NNKQZZPXJLAFQX-GFCCVEGCSA-N 375.476 -0.450 30 20 GBED Cn1cc(S(=O)(=O)NCC(=O)Nc2ccccc2-n2cnc(C#N)n2)cn1 366558305 KWUYHDQOXBBOCC-UHFFFAOYSA-N 386.397 -0.211 30 20 GBED COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 368240927 MPBNXWYGFCKOFX-DZGCQCFKSA-N 398.379 -0.398 30 20 GBED CNS(=O)(=O)C1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 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N#CCC(=O)N1CCN(S(=O)(=O)c2ccc3nc(O)nc(O)c3c2)CC1 580329334 UCZACSMSJWVBCC-UHFFFAOYSA-N 377.382 -0.212 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2C[C@@H](C(N)=O)C2)cc1 594628295 DMOIDEPIOWKISQ-PHIMTYICSA-N 386.455 -0.627 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC(NS(C)(=O)=O)C1 599772713 DBVNRRPFPIBUSW-UHFFFAOYSA-N 375.414 0.213 30 20 GBED Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)cn1 727161150 QSDHLKIIUNPXFS-UHFFFAOYSA-N 393.428 -0.485 30 20 GBED C#CCNC(=O)CN1CCN(Cc2nnc3n(C)c(=O)c4sccc4n23)CC1 728570609 HMCUKYVADZFKJM-UHFFFAOYSA-N 399.480 -0.490 30 20 GBED NC(=O)[C@H]1CC(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)=NN1c1ccccc1 731861174 NXUXLMVXPOFYPO-RKDSPFTASA-N 396.407 -0.251 30 20 GBED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCN2C(=O)CNC2=O)[C@H](C#N)C1 758496609 OZOYEYPTEGCEGM-GHMZBOCLSA-N 380.405 -0.404 30 20 GBED COCCNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)N(C)C(C)(C)C#N)c1 764026589 PLGIUWARBRRPRZ-UHFFFAOYSA-N 386.430 -0.143 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCC[C@@H](S(C)(=O)=O)C2)c1=O 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HCPCRHKMYCSKPL-IFXJQAMLSA-N 395.456 -0.011 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1784503425 ZFAJFVKGZYJKSC-AJNGGQMLSA-N 378.433 -0.756 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)n1)C2 1793355406 IAQYIASRYKWGDG-OHTBPHCPSA-N 392.412 -0.318 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1793355735 NCRBZIGOFZDHTR-AYDFFVQHSA-N 379.461 -0.993 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(S(C)(=O)=O)cc1 1795415739 BXMQWZQUMSCICJ-CCWDJLKJSA-N 390.461 -0.145 30 20 GBED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=N)N)c1 1795539697 PSZGPOYTQXLGFL-GMLZMKKNSA-N 398.467 0.000 30 20 GBED NC(=O)[C@H](N)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1795634321 RVZGNQKRFUITKY-AXVVYFOYSA-N 398.463 -0.780 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nccnc1C(N)=O 1799038229 JFFSNOLLASNYLL-YIYPIFLZSA-N 385.424 -0.134 30 20 GBED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)C2)cc1 1800525669 LXWNCKSJYNIJJA-XLMAVXFVSA-N 382.420 -0.102 30 20 GBED C[C@H](C(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1)n1cnnn1 1822863255 LUAHSFVTBPUJNM-ZYHUDNBSSA-N 386.372 -0.263 30 20 GBED CN(C)C(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1830043030 XXZGELXTGXDVAY-QGZVFWFLSA-N 381.433 -0.982 30 20 GBED C[C@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1835527142 ADRCOMQOCOVBFH-YMHCHUIFSA-N 392.456 -0.250 30 20 GBED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)CN)CCO3)C2)cc1 1835541651 HJCSKBZIVKQPPB-FQEVSTJZSA-N 386.452 -0.094 30 20 GBED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(CN(C(=O)CN)CCO3)C2)c1 1835544134 ISWOUZHMRCPOQL-HXUWFJFHSA-N 386.452 -0.094 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCOC3)CCO2)C1 1840871985 FCCSSKAPFJAALR-HLIPFELVSA-N 394.468 -0.092 30 20 GBED C#CCNC(=O)COC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 8204472 JVXXLVJTXJAPAW-UHFFFAOYSA-N 380.422 -0.078 30 20 GBED CO/N=C/c1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 264210153 SRKYPUIXQJQTCC-NLTVTKDGSA-N 381.454 -0.106 30 20 GBED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1ccc(-n2cnnn2)cc1 264937741 HAKLKBZLURXFAT-UHFFFAOYSA-N 391.457 -0.101 30 20 GBED COC(=O)C1(O)CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 271307593 VYVKKQFUGGUMQX-LBPRGKRZSA-N 395.437 -0.248 30 20 GBED C[C@@H]1COCC[C@@H]1/N=C(/O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 330324019 IBXIRUIICVABBK-CABCVRRESA-N 389.522 -0.565 30 20 GBED C[C@@H](C(=O)N1CCOCC1)N1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 332818535 UTWQZXNIROQFMF-KXBFYZLASA-N 377.489 -0.340 30 20 GBED C#CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 361302617 ANJPCZSASCSYTB-KRWDZBQOSA-N 390.484 -0.845 30 20 GBED CCS(=O)(=O)NCCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 372851554 IMFMCTOBBSSSQF-OAHLLOKOSA-N 393.469 -0.102 30 20 GBED Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)NCCn2cnc(C#N)n2)cn1 377223887 QFYBSFIGGWPOLW-KBPBESRZSA-N 375.412 -0.205 30 20 GBED N#CCCn1ccc(NC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)n1 436516569 WQSABGZHWYSFLM-UHFFFAOYSA-N 378.418 0.058 30 20 GBED C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 443836913 DKYISYAIAJIYQE-NWDGAFQWSA-N 389.387 0.412 30 20 GBED COC(=O)CN(CC#N)C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 469222905 OLJYLHURFWWMBU-NSHDSACASA-N 394.409 -0.788 30 20 GBED CO[C@@H]1COC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 514935065 PSPMEEOKNVTZCG-HZPDHXFCSA-N 394.453 -0.012 30 20 GBED N#Cc1cccc(NC(=O)CCN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 532707935 FXKJWGKERUMVCE-IAGOWNOFSA-N 392.481 -0.026 30 20 GBED CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 539169345 CJFPVUZMZPEKJA-UHFFFAOYSA-N 384.462 -0.106 30 20 GBED C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 553328200 ILZGQOVZNKJRNU-MRXNPFEDSA-N 398.529 -0.221 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 576829026 SRNDLYVJISPXFM-OLZOCXBDSA-N 393.473 -0.398 30 20 GBED N#CC[C@]1(O)CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C1 592849291 IDWAZHQXLQGYTN-KMFMINBZSA-N 397.428 -0.173 30 20 GBED COc1ccc(N2C[C@H](NS(=O)(=O)N3CCO[C@H](C#N)C3)CC2=O)cc1 594823325 UOCLPRNSXWJZOM-IUODEOHRSA-N 380.426 -0.141 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(CNC(C)=O)s2)CC1 728589623 JEXOENSRQJTOGT-UHFFFAOYSA-N 398.510 -0.560 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 738859129 FAWMCBKCDDCWNH-UHFFFAOYSA-N 389.368 -0.891 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 758085225 GEDYSGOOOHPKPE-GXFFZTMASA-N 388.829 -0.340 30 20 GBED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCOC)c2=O)cn1 772279965 SYRHKYXSCNXQPT-UHFFFAOYSA-N 399.476 -0.021 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1)[C@@H]1CCCO1 809303729 AMABHCBBXFJLAE-LXIYXOSZSA-N 376.413 -0.880 30 20 GBED Cc1ncc(S(N)(=O)=O)cc1C(=O)OCC(=O)N(CCC#N)CCC#N 815273910 HUJMLJDPJLNBCM-UHFFFAOYSA-N 379.398 -0.150 30 20 GBED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 815860984 KZDYOKHOELCGCY-UHFFFAOYSA-N 380.470 -0.053 30 20 GBED C=CCCn1cc(C(=O)OCC(=O)N2CCN(CC(=O)N(C)C)CC2)nn1 820977239 XCHKIAHDZKUMRI-UHFFFAOYSA-N 378.433 -0.757 30 20 GBED C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)Nc2cn[nH]c2)CC1 848962807 XYJIPIAVDROCAU-UHFFFAOYSA-N 375.476 -0.878 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(=O)n(CCC)n2)C1 962984820 TXEFGHYAQHESJO-OJLVUWQFSA-N 390.440 -0.454 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cnc(O)n2C)C[C@@H]1O 964171972 XFTIBRZNXKTFIT-NEBZKDRISA-N 378.429 -0.202 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2nc3ncccn3n2)C1 969979532 OMYDFCWRKFIAIJ-CRWXNKLISA-N 386.412 -0.593 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ncn(C)c1=O 1003783969 INLOUZLCISTYKR-SUJAAXHWSA-N 389.456 -0.189 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CNC1=O 1006468338 IAQXVBFMBTXKIQ-ZSAUSMIDSA-N 390.440 -0.233 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(C(N)=O)cn2C)C1 1024870432 CVIQGEINEHXBOE-XOUADPBQSA-N 390.440 -0.593 30 20 GBED C#Cc1cncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cncn3C)C2)c1 1025709312 FNZMLONLIBCHEZ-YFHUEUNASA-N 379.420 -0.098 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(CC(=O)N3CCNC(=O)C3)C[C@H]2C1 1088113143 PRXCMXJIAANKLE-TWMKSMIVSA-N 390.484 -0.684 30 20 GBED CN(C)S(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 1092847428 MZONSTYSQMBMAQ-RDBSUJKOSA-N 378.458 -0.144 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCC(=O)OC(C)C)CC2)c1C#N 1117000312 ARYJXOPKJZSOAV-UHFFFAOYSA-N 390.444 -0.293 30 20 GBED CCNS(=O)(=O)CCNC(=O)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 1117286447 KDODZLVMYOMNGT-HNNXBMFYSA-N 394.453 -0.486 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC2CCC3(CC2)OCCO3)CC1 1257033865 XEGFLFONJVTXQC-UHFFFAOYSA-N 377.441 -0.224 30 20 GBED C#CCSCCNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1261092584 HTFNNKAJMLFQOE-ZDUSSCGKSA-N 387.469 -0.356 30 20 GBED CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cc1 1261464897 BSFFCHGYXWXZOB-KRWDZBQOSA-N 394.453 -0.570 30 20 GBED N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCOCC2)CCO1 1303005066 WEXGUDOCMBAHTM-GJZGRUSLSA-N 389.460 -0.320 30 20 GBED CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@](F)(C#N)C1 1315070001 KUYGGIFZLAQFOH-CQSZACIVSA-N 382.425 -0.330 30 20 GBED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 1324804634 ZBIWJHDDSVIQLU-GFCCVEGCSA-N 382.446 -0.416 30 20 GBED COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1326547608 PLPSWCZSVFZJIZ-ZIAGYGMSSA-N 377.319 -0.183 30 20 GBED COC(=O)CCN1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[C@@H](C)C1 1330436806 SGMSABMQEBSFSC-HOCLYGCPSA-N 391.472 -0.719 30 20 GBED Cn1cc(CN2CCN(C(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)cn1 1331947913 XLNUOFYNFKTMMR-QGZVFWFLSA-N 385.472 -0.737 30 20 GBED C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1335490728 KZJMMNVMHNIUCN-QAPCUYQASA-N 389.500 -0.103 30 20 GBED C=CCn1c(-c2cn(C)c(=O)n(C)c2=O)nnc1N1C[C@H](OC)[C@H](OC)C1 1339512716 XNAWJPOHOANUTL-BETUJISGSA-N 376.417 -0.622 30 20 GBED C#CCNC(=O)CNC[C@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573286259 XCQTYOAPRCDYIS-TZMCWYRMSA-N 384.444 -0.178 30 20 GBED C=CCCn1cc(C(=O)N2CCN(c3cncc(-c4nn[nH]n4)n3)CC2)nn1 1588620802 HPUFQJCJTQWGTQ-UHFFFAOYSA-N 381.404 -0.213 30 20 GBED C=CCn1cc(C(=O)N2CC(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nn1 1588711654 VTQPMSNMSHXVRC-UHFFFAOYSA-N 382.388 -0.526 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCCCCS(N)(=O)=O 1592665069 CHTLVDPMQLIIAZ-ZDUSSCGKSA-N 377.430 -0.266 30 20 GBED O=C(C#CC1CC1)N1CC[C@@]2(C1)CN(c1ccnc(-c3nn[nH]n3)n1)CCO2 1592766711 RCXBDPLHMIONSI-SFHVURJKSA-N 380.412 -0.122 30 20 GBED O=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)=NN1 1779019104 MGLHGCQIYIITGH-HDAJJNEKSA-N 390.444 -0.836 30 20 GBED N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)N2CCOCC2)C1 1779414375 NRGOHFSFFCNBHC-FHLIZLRMSA-N 380.445 -0.935 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nsnc1NC 1792479580 IPJCEESTJBWCTM-RVMXOQNASA-N 393.469 -0.179 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncc(F)cc1F 1793578916 RKOLSHMJYUKQEK-KEODLESXSA-N 379.319 -0.349 30 20 GBED N=C(N)SCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1795505713 YCVKCGXRSMRXDL-APBAFYQPSA-N 393.469 -0.085 30 20 GBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1802025260 NKLUUVWSEDZIGG-VXIBKDFQSA-N 376.501 -0.375 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1 1802476820 MTQVQTZWIYURNC-XGRZMECZSA-N 388.424 -0.744 30 20 GBED N#CCC(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804344078 MAFBVEPELGJVKV-WWGRRREGSA-N 384.396 -0.401 30 20 GBED CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831481640 AXCONNGNAGGCRY-DOTOQJQBSA-N 387.502 -0.467 30 20 GBED CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1834770012 SCHMLHFUJKTQDE-DUIUGDAFSA-N 390.436 -0.025 30 20 GBED Cn1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)cn1 1835363896 DUSIHIPMVGRJBJ-SFHVURJKSA-N 375.429 -0.277 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835503617 DNYBHJBGMNLVGJ-GUYCJALGSA-N 398.485 -0.892 30 20 GBED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)CC1 1838269011 BHNYEVHYDGQYOA-OKILXGFUSA-N 378.425 -0.156 30 20 GBED C#CC(=O)N1CCC(OC2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1838728668 COMLZPWPKXIXSD-UHFFFAOYSA-N 379.413 -0.839 30 20 GBED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(O)O)C3)C2)c1 1839418982 FZPNAGPSTTXHDA-SFHVURJKSA-N 393.371 -0.922 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)c3ccccc3)C2)C1 1839806797 YYSVLUUTDPLCSZ-NRFANRHFSA-N 399.447 -0.152 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839859118 QXPKLWCWGPGVQN-HNAYVOBHSA-N 397.472 -0.848 30 20 GBED Cc1cc[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040930 FZSVPPGFUNLSTC-SFHVURJKSA-N 375.381 -0.519 30 20 GBED CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)no1 1840042196 GPLSHHCJFMYTAE-SFHVURJKSA-N 391.380 -0.605 30 20 GBED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cc(=O)nc3sccn23)C1 1844625656 MEUKSJNPJCRFKJ-UHFFFAOYSA-N 386.389 -0.339 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NC(=O)c1cnccn1 1847805306 UFYXVUMBEFAWTJ-OTRWWLKZSA-N 399.451 -0.165 30 20 GBED C/N=C(/NC[C@@H]1CN(C)CCN1C)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 261932965 BUICZXXKQMNBPK-ZWKOTPCHSA-N 393.580 -0.564 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CO)C[C@H](O)c2ccccc2)C1=O 270385726 WQXKWKYRYVGWLF-KBPBESRZSA-N 375.381 -0.436 30 20 GBED Cn1c(=O)ccn(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1=O 277071942 QSXCNBUGJYTUQZ-OAHLLOKOSA-N 381.392 -0.664 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)C1=O 286909124 GNCLTGYGQDOUPR-WDEREUQCSA-N 390.362 -0.489 30 20 GBED C[C@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CN1CCN(C)CC1 290765951 ILYMJANJLWCSPM-OAHLLOKOSA-N 393.513 -0.164 30 20 GBED COc1cnc(N=C(O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)s1 329236170 JHTYSYNBLINJBZ-UHFFFAOYSA-N 381.414 -0.010 30 20 GBED C[C@@H](C/N=C(/O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCN(C)CC1 329275025 BKCBYQNQSDBOLO-LBPRGKRZSA-N 377.449 -0.974 30 20 GBED CNS(=O)(=O)C1CCN(/C(O)=N/[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 329300132 MIIWCUJYGYWJAS-CYBMUJFWSA-N 398.489 -0.157 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(/C(O)=N/[C@H]1CCCCN=C1O)C2 329770238 IOTCKTBGNXAGIH-NSHDSACASA-N 379.421 -0.628 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@H](c2cnn(C)c2)[C@@H](C(=O)NC)C1 332404574 LIQRGCWMULRHEK-YUELXQCFSA-N 382.490 -0.092 30 20 GBED CCn1[nH]c(C)nc1=NS(=O)(=O)CCCS(=O)(=O)N1CC(C)(C#N)C1 349469915 BYECWPJBQNVFFQ-UHFFFAOYSA-N 390.491 -0.665 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 349479247 UDHOCBCBZOABTI-LXTVHRRPSA-N 391.515 -0.009 30 20 GBED CCN1C(=O)[C@H]2CN(CCS(=O)(=O)c3ccc(C#N)cn3)CCN2C1=O 367361063 MNJNTPZCEODPKL-CYBMUJFWSA-N 377.426 -0.305 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)NC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 376350359 KMGMAXPGHIMJHO-SNVBAGLBSA-N 375.451 -0.470 30 20 GBED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C[C@H](C)O1 408329392 MQIAYCOXDYNXMH-STQMWFEESA-N 381.458 -0.002 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCc2ccc(S(=O)(=O)CCO)cc2)CCO1 410408568 APNCOCWSVQXODD-ZDUSSCGKSA-N 389.455 -0.989 30 20 GBED N#Cc1ccc(NCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 502715458 JDAMRFNLPXBNAX-HZPDHXFCSA-N 378.454 -0.416 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)c1=O 513455187 KVAOIPXAMJDGNF-RBSFLKMASA-N 380.445 -0.986 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)NCCNS(=O)(=O)N(C)[C@@H](C)CC#N 554661710 NNNLSESPPSOMAM-RYUDHWBXSA-N 380.496 -0.877 30 20 GBED C=C(CNC(=O)c1cc(C(=O)OC)no1)CNC(=O)c1cc(C(=O)OC)no1 598501743 DOBBWSVISSSTIF-UHFFFAOYSA-N 392.324 -0.048 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cnc3nc(O)nc(O)c3c2)CC1 729281786 ONZRLZAOAAWIMM-UHFFFAOYSA-N 384.396 -0.667 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2CS(=O)(=O)NC)c1 749509895 JENOPJCFVLIZCH-CQSZACIVSA-N 399.494 -0.248 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@H]([C@@H]3CCCO3)C2)c1=O 756857599 FWIDKEYAUYQVLC-LSDHHAIUSA-N 378.429 -0.619 30 20 GBED C#C[C@@H](C)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 760518880 YXNBORSZMIAQIF-YPMHNXCESA-N 395.437 -0.492 30 20 GBED CCOCCNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767626172 GGPOVYMENRRJJL-LBPRGKRZSA-N 383.426 -0.079 30 20 GBED N#CC1(CS(=O)(=O)NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CCC1 771073596 DGJWJEXGCNYLCR-UHFFFAOYSA-N 384.439 -0.376 30 20 GBED C=CCS(=O)(=O)CCNC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 783617127 AAGPYGAWRIMSFU-UHFFFAOYSA-N 377.422 -0.025 30 20 GBED C=CCN1CC[C@@H](OC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1=O 798587082 WQRRCJQTFCSMPK-LLVKDONJSA-N 375.385 -0.846 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCCS3(=O)=O)CC2)o1 848857950 DPERKHKXYANNJC-ZDUSSCGKSA-N 396.425 -0.376 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCN2CCC2)cc1 848942020 RZKZWZGZEXEVQW-UHFFFAOYSA-N 396.494 -0.182 30 20 GBED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCCS(N)(=O)=O)[C@@H](C#N)C1 848956971 HMAXTRORLWDGRU-NSHDSACASA-N 396.491 -0.560 30 20 GBED C#C[C@@H](CC)NS(=O)(=O)CCCS(=O)(=O)N1CCSC[C@@H]1C#N 848962897 BQJUYDJTMHDEHJ-STQMWFEESA-N 379.529 -0.022 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1nncs1)[C@H]1CCCO1 848963851 DUQKUMIILHQADA-WDEREUQCSA-N 394.500 -0.230 30 20 GBED Cn1c(=O)c2ccc(C(=O)OCC(=O)N(CCC#N)CCC#N)nc2n(C)c1=O 913374320 ACOFCSXGZALIHA-UHFFFAOYSA-N 398.379 -0.555 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ncn(C)n1 960338281 MTYYICRXWNXKLI-CBBWQLFWSA-N 375.429 -0.152 30 20 GBED C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CS(C)(=O)=O)CC1 997356286 BWTQBDWXCFAPEY-PMPSAXMXSA-N 381.498 -0.376 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2cc(C3CC3)nn2)C1 1024151049 LWEHTGJFKHQRII-MIGQKNRLSA-N 375.429 -0.566 30 20 GBED N#CCN1CCC(NC(=O)C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)CC1 1117281193 KZHWBQRSKABWHF-ROUUACIJSA-N 391.516 -0.025 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([S@@](=O)CC)C1 1117535346 NLWKFXSIZLCBHT-RFIQDPTOSA-N 378.516 -0.101 30 20 GBED C#CC[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C)c1ccccc1 1117660413 AEGFLZIHSPRNOM-OAHLLOKOSA-N 380.470 -0.184 30 20 GBED COc1ccc(OC)c2c1CN(C(=O)C(=O)N1CCO[C@H](C#N)C1)C[C@@H]2O 1261304178 KKFVWGKBXLDASV-YPMHNXCESA-N 375.381 -0.170 30 20 GBED C=CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CCN(S(=O)(=O)CC)CC1 1262858587 IOMGUMLFPFBFHC-CYBMUJFWSA-N 382.490 -0.119 30 20 GBED CS(=O)(=O)N1CCC(NC(=O)C(=O)NCCc2ccc(C#N)cc2)CC1 1328793706 ZQDBPTUJFUBHQB-UHFFFAOYSA-N 378.454 -0.243 30 20 GBED CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1329716596 IDQYBJKRMBXYDD-ZBFHGGJFSA-N 375.473 -0.050 30 20 GBED C=CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CCCN(S(C)(=O)=O)CC1 1339610222 UUHNELSAGDJMGO-CYBMUJFWSA-N 382.490 -0.119 30 20 GBED C=CCn1c(Cc2nccn2C)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 1339880870 YEDUEZDNKRHNOZ-UHFFFAOYSA-N 394.505 -0.283 30 20 GBED N#Cc1ccc([C@H](N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C(N)=O)cc1 1340940246 OAVBXVTUZNGNII-XHSDSOJGSA-N 378.454 -0.828 30 20 GBED COc1cc(C#N)ccc1C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 1466778697 LCDXJRJLLNTPIA-UHFFFAOYSA-N 376.398 -0.168 30 20 GBED C#CCNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1573285791 NUQQOTWURWYIBH-IACUBPJLSA-N 384.444 -0.037 30 20 GBED C#CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588353443 SGIVKLGTSQSLIQ-MBNYWOFBSA-N 384.444 -0.370 30 20 GBED C#CCOCCC(=O)N[C@@H]1CN(c2snc(Cl)c2-c2nn[nH]n2)C[C@@H]1O 1588362428 GDICUVXQCNBGRH-BDAKNGLRSA-N 397.848 -0.318 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)NCCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588658581 QLFWUVPVQVBPBB-JTQLQIEISA-N 389.420 -0.695 30 20 GBED CCNS(=O)(=O)CCNC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1590744982 BQQCDVHDMUFXER-ZDUSSCGKSA-N 377.430 -0.396 30 20 GBED COCCOc1cccc(CNC(=O)Cn2c(N)nc(-c3nn[nH]n3)c2C#N)c1 1591446077 YBCVHTRZOGUNNQ-UHFFFAOYSA-N 397.399 -0.141 30 20 GBED C#CCNC(=O)CN[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C12CCC2 1602722393 PNIKMGTXRAKYKX-ZIAGYGMSSA-N 382.428 -0.425 30 20 GBED N#CCSCC(=O)NC1(CO)CCN(c2ccncc2-c2nn[nH]n2)CC1 1606351616 XQJFODLFWQXMKP-UHFFFAOYSA-N 388.457 -0.034 30 20 GBED N#Cc1nc(NC(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)[nH]c1-c1nn[nH]n1 1606354969 ZPJXJNZYAJQAPY-RFZPGFLSSA-N 390.307 -0.377 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](CO)CC1OCCO1 1643839713 UCTKQQKPBVRRGE-WCQYABFASA-N 383.426 -0.535 30 20 GBED N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC2(O)CCOCC2)CCO1 1771539123 OCFQMIPJZNLKCQ-AWEZNQCLSA-N 390.444 -0.329 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777832794 JZGIBTXIGGLEQC-MEDUHNTESA-N 376.442 -0.114 30 20 GBED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncon3)[C@H]2C1 1789085980 BMXAKSZHYCMEJX-IHRRRGAJSA-N 390.444 -0.055 30 20 GBED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21)N1CCN(C)CC1 1789798923 WYSDSTDFTPRLSV-QAETUUGQSA-N 377.489 -0.484 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)OC)C2 1792569941 UCHYNJKXSLXVJA-LDPDCKCHSA-N 378.429 -0.161 30 20 GBED N#CC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(=O)n4[nH]nnc4n2)C3)CC1 1795846159 KXYXWBIRSIPWDJ-JGPRNRPPSA-N 382.384 -0.632 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CNC1=O)C2 1798393321 OMXBHECOJRIYET-XJFOESAGSA-N 392.456 -0.251 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2ccnn12 1799905080 OVDUEKJSTTWPNO-IVWMJMPLSA-N 382.376 -0.375 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1 1811459079 XPYFDHZECSPTOF-FZKQIMNGSA-N 395.375 -0.428 30 20 GBED CN1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831208319 LIGRDFPANILICH-FXAWDEMLSA-N 375.469 -0.050 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1831424526 KYXIJSVGZPAVNP-QAPCUYQASA-N 393.444 -0.674 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnsn4)C3)C2)CC1 1835341334 XKTZLNSJQIQPHD-MRXNPFEDSA-N 377.426 -0.088 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835640154 LSAMGQCPQAJZIA-KXBFYZLASA-N 393.488 -0.505 30 20 GBED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)o1 1836022735 OCZJPHBIEFPECY-QGZVFWFLSA-N 377.401 -0.319 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839859117 QXPKLWCWGPGVQN-DNVCBOLYSA-N 397.472 -0.848 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1840161626 WGBGFWQLVWGOQR-BDJLRTHQSA-N 398.489 -0.906 30 20 GBED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812276 IHEQUDSOUGGCOK-LIRRHRJNSA-N 392.456 -0.352 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H](CC)NC(C)=O)C2 1841053317 JQHVORFGMNLFAP-LZNQSLFOSA-N 376.457 -0.037 30 20 GBED CCCn1c(N)c(C(=O)CN2CCN(c3cc(C#N)ccn3)CC2)c(=O)[nH]c1=O 29445531 PZDNBYYJLDEPAV-UHFFFAOYSA-N 397.439 -0.200 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCNC(=O)[C@@H]2c2ccccc2)c1=O 129816015 UYKHUMFCSREFOY-INIZCTEOSA-N 397.435 -0.326 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)C1=O 299686817 KQFUIKRCNYZAKU-CYBMUJFWSA-N 388.380 -0.136 30 20 GBED C[C@H]1C(=O)N(C)CCN1S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N 349505347 NQBXMRFUXKVBBO-LBPRGKRZSA-N 394.519 -0.567 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)CCCOC)CC1 409496433 ASDAEHNHIOLBMU-AWEZNQCLSA-N 396.535 -0.303 30 20 GBED C[C@H](O)CN(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@@H](C)CO 443836914 DKYISYAIAJIYQE-RYUDHWBXSA-N 389.387 0.412 30 20 GBED CSCC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 515869880 OCWMOBMMJZZTEL-LLVKDONJSA-N 393.512 -0.119 30 20 GBED CCCn1c(N)c(C(=O)CN(CCC#N)CCN2CCOCC2)c(O)nc1=O 533446208 FKYGYSAKRRQTJV-UHFFFAOYSA-N 392.460 -0.328 30 20 GBED Cn1[nH]cnc1=NS(=O)(=O)c1ccccc1S(=O)(=O)NCC1(C#N)CC1 572180372 VWTVXPMQXDCNGO-UHFFFAOYSA-N 396.454 -0.380 30 20 GBED C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#N)n2)CCN1C(=O)c1cnn(C)c1 572600129 AEIDUHFBXWFCJA-LBPRGKRZSA-N 381.396 -0.002 30 20 GBED COCCNS(=O)(=O)c1ccc(CNC(=O)NCC(=O)NCC#N)cc1 584189411 AHTWWAFZFLDOBC-UHFFFAOYSA-N 383.430 -0.950 30 20 GBED COC(=O)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)OC)C(=O)OC 593528033 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C#C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@H]1CCCO1 775339948 LHMANMRDNQVDFM-TUKIKUTGSA-N 379.438 -0.251 30 20 GBED C#CCC[C@H](O)CNS(=O)(=O)c1c[nH]c(C(=O)NC[C@H](O)CCC#C)c1 798488236 KJZSTWAFHXHENE-KGLIPLIRSA-N 381.454 -0.429 30 20 GBED C#CCNC(=O)CCN1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 815012360 CIMSVIFCRVINQB-UHFFFAOYSA-N 399.494 -0.020 30 20 GBED C#CCN(C)CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 818615160 BXHASMMHUYJJFG-ZDUSSCGKSA-N 380.470 -0.476 30 20 GBED C#CCN1CCN(C(=O)CSc2nc(N)c(C#N)cc2-c2nn[nH]n2)CC1 819702196 SRUNIPCEOJDJDN-UHFFFAOYSA-N 383.441 -0.415 30 20 GBED N#C[C@H]1CNC[C@H]1NC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 843460563 HUHMTTSLLALVID-SMDDNHRTSA-N 384.483 -0.326 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](O)C1 848955736 AIKBFFJPTDAVFY-CYBMUJFWSA-N 383.451 -0.411 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCCS(=O)(=O)CC(F)(F)F 849441025 AMIJVBNXHARIGV-UHFFFAOYSA-N 381.398 -0.340 30 20 GBED COCCCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N 853665461 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C#CCN(Cc1cnn[nH]1)c1nnc(C(=O)NC(C)C)n1CCc1n[nH]c(C)n1 1574937126 IHSQXQCZDIKPOD-UHFFFAOYSA-N 397.447 -0.157 30 20 GBED C=CCOCC(=O)N1CCC(N(Cc2cnn[nH]2)C(=O)CN(C)C(C)=O)CC1 1575108063 FMUQRCMFVPFYDL-UHFFFAOYSA-N 392.460 -0.195 30 20 GBED C=CCNC(=O)NC(=O)CNC[C@H]1CCCN(C(=O)CCCc2cnn[nH]2)C1 1575108317 JKWXJQHHTVNYPP-CQSZACIVSA-N 391.476 -0.033 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1 1588355167 FUDMLINDBLLAAG-VFVRVIDISA-N 382.428 -0.020 30 20 GBED C#CCOCCC(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[nH]n3)c(C)n2)C1 1588361830 TVXQCCVZSCVRSV-GOSISDBHSA-N 385.428 -0.333 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NCCN1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 1588722883 DHIGHRBEQADXQE-HIFRSBDPSA-N 399.459 -0.514 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(NC[C@@H]2CN(C(=O)CSCC#N)CCO2)n1 1591897116 XRZGETBWPWQESJ-LLVKDONJSA-N 389.445 -0.139 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[nH]n1 1602756092 CHAUHLIKSWDLKG-OCCSQVGLSA-N 388.432 -0.378 30 20 GBED 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N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(O)O)[C@H]3C2)ccc1F 1783867401 JRBGXOXOLOVXTJ-NOLJZWGESA-N 391.399 -0.470 30 20 GBED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnc(O)nc4O)[C@H]3C2)CC1 1787430660 GBPGXJPTAYXWOT-DRZSPHRISA-N 387.396 -0.215 30 20 GBED COC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1788771604 FHMYFNPNGGBDKS-FJIDUMEYSA-N 391.468 -0.469 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)C(C)C)C2 1792484348 DQQUGXOHTLOATM-YJSADYLOSA-N 379.457 -0.549 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ccsc3n1)C2 1800777350 QTVCQIPAQDAWLM-QHBPRCKVSA-N 388.405 -0.313 30 20 GBED NC(=O)[C@H](N)CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1817360548 UFVZPYBWPKBSCB-ZYHUDNBSSA-N 390.400 -0.917 30 20 GBED CC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1830519491 OGYXIUHYGIZUJA-BEFAXECRSA-N 396.488 -0.504 30 20 GBED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1833427922 DZKOMUIDJIKAKM-UHFFFAOYSA-N 385.468 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C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc(=O)n3cc(C)ccc3n2)c1=O 25078155 VHLRAYHUBCZBFX-UHFFFAOYSA-N 381.392 -0.092 30 20 GBED CN1CCN(c2cc(C/N=C(/N)NCCCN3CCOCC3)ccn2)CC1 104163557 NYHYOGIRUHCLMA-UHFFFAOYSA-N 375.521 -0.040 30 20 GBED Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 265610888 OMSFJWXCPQTTBD-HUUCEWRRSA-N 399.494 -0.357 30 20 GBED N#CCCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)Cc2ccon2)CC1 266650798 YLNZRYSAEFVYKY-UHFFFAOYSA-N 394.457 -0.222 30 20 GBED CS(=O)(=O)CCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 284186969 VIIORYOGLJNILA-HNNXBMFYSA-N 378.454 -0.616 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1F 292868914 DMZCDQCNPFOQOL-UHFFFAOYSA-N 396.444 -0.138 30 20 GBED CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CCO1 297981939 HFQJHXVRNOMZGV-INIZCTEOSA-N 385.424 -0.820 30 20 GBED CC(=O)N1CCN(C(=O)CC/N=C(/O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 329130571 OLSZSVOOWMSRSG-GVDBMIGSSA-N 396.488 -0.157 30 20 GBED C[C@H](/N=C(/O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)N1CCOCC1 329226431 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Cn1cnc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2Nc2nccnc2C#N)c1 1052702740 MRYJAMIHYPEQGZ-OXJKWZBOSA-N 380.412 -0.390 30 20 GBED C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 1102452870 NOAJKWSPGGGXMO-YFHUEUNASA-N 388.472 -0.388 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)Cc1ccccc1 1111362336 ZXRKMUURXKQZNQ-KURKYZTESA-N 382.464 -0.184 30 20 GBED COC(=O)C1(C#N)CCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)CC1 1118247097 XOBQGNCJNCLGIO-UHFFFAOYSA-N 376.417 -0.311 30 20 GBED C=CCN(C(=O)C(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1)[C@@H](C)COC 1118467845 JIUYPUAUBFOFHP-STQMWFEESA-N 379.417 -0.112 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCN(CC(=O)N(CC)CC)CC2)CC1 1120425066 FRKYAQIKVOGQKO-UHFFFAOYSA-N 394.516 -0.071 30 20 GBED C#CCCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)n2)O1 1130809399 WMMIZKZGMDBIJW-IGQOVBAYSA-N 390.444 -0.713 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCCNC(=O)C3CC3)CC2)cc1 1257521186 OZADJYODOGZISS-UHFFFAOYSA-N 383.452 -0.155 30 20 GBED C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 1325893627 ZHUISJPEFVSKBO-LLVKDONJSA-N 390.425 -0.031 30 20 GBED CC(=O)N[C@](C)(C(=O)N[C@H]1CNC[C@@H]1C#N)c1ccc(S(C)(=O)=O)cc1 1326611147 CIOXPWGWOOLBFZ-NUTKFTJISA-N 378.454 -0.331 30 20 GBED C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326822799 KARMBZVDGNPVRL-UEKVPHQBSA-N 390.362 -0.079 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCNS(=O)(=O)Cc1ccccc1)[C@H]1CCCO1 1332760502 HZVMUECGLMAQHV-JKSUJKDBSA-N 393.465 -0.481 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 1345438733 CIWIZDKHBXDBSI-UHFFFAOYSA-N 392.500 -0.317 30 20 GBED N#C[C@H](C(=O)c1ccc(Cn2cncn2)cc1)C(=O)N1CCS(=O)(=O)CC1 1523842056 CVTSSZILGKOKAL-OAHLLOKOSA-N 387.421 -0.094 30 20 GBED C#CCOCCC(=O)NC[C@H]1CN([C@@H](C)C(=O)NCc2cnn[nH]2)CCCO1 1575014091 XIEOLRGNYXOSSH-HOCLYGCPSA-N 392.460 -0.944 30 20 GBED N#Cc1nc(=NC[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCO2)cc[nH]1 1581885241 STFZTZVOMAMGCA-JTQLQIEISA-N 380.372 -0.769 30 20 GBED 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1835358389 AMAHBAHLMHHLCS-KBXCAEBGSA-N 378.429 -0.633 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838062775 HIPBXABELRYTPC-UGSOOPFHSA-N 392.412 -0.776 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CC1)CCO2 1840633568 OOQZQZFVPZPEBG-VOFKWLDRSA-N 377.441 -0.289 30 20 GBED CC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)c2cc(C#N)c[nH]2)C3)CC1 1843973834 LTTDTZLNERUSED-UHFFFAOYSA-N 398.467 -0.133 30 20 GBED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846032878 OKAYCEKKIXSHPQ-UHFFFAOYSA-N 383.489 -0.541 30 20 GBED C=CCN(CC=C)C(=O)[C@H](C)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 51768572 SUUDHHNTLIIRFA-KRWDZBQOSA-N 399.561 -0.315 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCNS(C)(=O)=O 268780308 XNSCQUJEEYPMEL-LLVKDONJSA-N 388.471 -0.719 30 20 GBED CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CC(=O)NC1=O 268789252 FHZUKFWPJMFDAT-MFKMUULPSA-N 378.410 -0.511 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@@H](C)CCN1CCN(C)CC1)c1cc[nH]n1 278501600 KPWXLCDJXOGKGT-KTNMXJNISA-N 394.476 -0.164 30 20 GBED C[C@@]1(C(N)=O)CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 289170375 VCQLXESIMFCRRV-MGPUTAFESA-N 397.435 -0.106 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CC[C@@H](CS(C)(=O)=O)C1)c1cc[nH]n1 293710793 LUTBQXBNVSOTQP-VVLNONDKSA-N 386.430 -0.413 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CC(=O)NC)cc1 298920494 FTDWDYCEZBUTOX-UHFFFAOYSA-N 382.442 -0.364 30 20 GBED N#Cc1ccc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 331929453 NXZBCLJDAVHSRQ-INIZCTEOSA-N 390.465 -0.381 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)CC1 349457118 DIUVQWQGUKPSJR-AAVRWANBSA-N 387.483 -0.433 30 20 GBED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H](O)C(C)(C)C1 349470947 ZDSHILWUTFYWBV-CHWSQXEVSA-N 381.520 -0.123 30 20 GBED CNS(=O)(=O)[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 364310923 VCZKYWXEZMLFRY-JKSUJKDBSA-N 385.534 -0.308 30 20 GBED COCCNCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 418904017 IKOZTVAQDNZMEF-MRXNPFEDSA-N 387.440 -0.478 30 20 GBED C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 420049880 YOPDRBGGASXPDN-ZFWWWQNUSA-N 386.456 -0.169 30 20 GBED CN1CCN(S(=O)(=O)c2ccc(N3CC(O)(CC#N)C3)c([N+](=O)[O-])c2)CC1 430495943 NAWPCDBAELAAEV-UHFFFAOYSA-N 395.441 -0.004 30 20 GBED CN(C[C@@H](O)CN1CCOCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443375059 MUFGTHBXOYMXFV-GFCCVEGCSA-N 384.414 -0.220 30 20 GBED Cc1cc(C#N)cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 453602680 PMWJEPWXYOBSIF-UHFFFAOYSA-N 399.451 -0.192 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(C#N)nc1 546175095 GHYBWFURDCFNKK-CYBMUJFWSA-N 382.398 -0.978 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 599938401 OOCHJJFYXCWJOA-CWRNSKLLSA-N 392.481 -0.107 30 20 GBED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 815861374 FMYBQWWXKXSJSA-UHFFFAOYSA-N 387.440 -0.746 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)O)cs2)CC1 825619901 RJHNUFYYANJUBM-UHFFFAOYSA-N 385.467 -0.108 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCC[S@](C)=O)cc1 848941098 CUKOQWIPJHQVMS-SAHAZLINSA-N 393.512 -0.076 30 20 GBED C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C[C@H](CO)O1 867582437 VKOLUXXNWBGKQM-XJKSGUPXSA-N 390.415 -0.046 30 20 GBED COCCCNC(=O)[C@H](C#N)C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 916871687 YRSWEOIEPLQSAH-CYBMUJFWSA-N 392.437 -0.071 30 20 GBED C=CCn1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@H]2OCC[C@H]2C)nn1 960975602 RXCOJAMKXIZPAT-BVUBDWEXSA-N 375.429 -0.059 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)c3cc4n(n3)CCO4)C[C@@H]21 960984929 XFDPNKOMMZQGMO-SYAUCNOPSA-N 388.424 -0.082 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C[C@@H]2O)nn1 963310345 PPSFQMQTPXVQSE-VDERGJSUSA-N 375.429 -0.419 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc(O)cc2OC)C1 970694569 QRPCLQQQOALVKU-ZZVYKPCYSA-N 377.397 -0.312 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C[C@H]2CC(=O)NC2=O)nc1 1003981057 MKCGAHLOIRGJQE-XNISGKROSA-N 380.404 -0.023 30 20 GBED C#CCOc1ncccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1024913901 CFAOHBPFSMMIFP-CTISPVFFSA-N 397.431 -0.182 30 20 GBED C#CCOCCC(=O)NC[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CCO1 1065440026 PZRQKLYGOZDJMR-UIBIWLFHSA-N 380.441 -0.579 30 20 GBED CC(=O)N1C[C@H]2CN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C[C@H]2C1 1161760032 VCGBUKQOQYWDIC-GASCZTMLSA-N 376.438 -0.227 30 20 GBED NC(=NOCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(Br)o1 1252518438 IFSHFYLGHCJQBH-ZETCQYMHSA-N 380.220 -0.018 30 20 GBED CCN1CCN(C[C@@H](C)CNC(=O)NCCn2cc(C#N)c(O)nc2=O)CC1 1311977233 SPAJFPVRLVCDLJ-AWEZNQCLSA-N 391.476 -0.607 30 20 GBED N#CCNC(=O)COC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1319102744 CMDGXUIFKIHUGD-AWEZNQCLSA-N 385.380 -0.281 30 20 GBED N#CCC1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 1320098439 NYAXZZTYWQABIP-UHFFFAOYSA-N 388.428 -0.167 30 20 GBED CNS(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)cc1 1320913370 XNFNRIJETCKNHI-UHFFFAOYSA-N 379.442 -0.363 30 20 GBED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCCn2cncn2)CC1 1322559139 NEXCVBQCWXDGFQ-UHFFFAOYSA-N 384.400 -0.520 30 20 GBED CC(C)N(CCC#N)C(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 1324336257 QMSZZPHBLCXWSQ-UHFFFAOYSA-N 377.449 -0.350 30 20 GBED Cn1ccc(=O)n(CCCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1=O 1326178340 SXZIFPJADLOXEA-OAHLLOKOSA-N 395.419 -0.022 30 20 GBED Cc1cc(C(=O)NC2CCN(C(=O)C(=O)N3CC[C@](O)(CC#N)C3)CC2)no1 1326247361 BRAQXIXVKDYUTK-GOSISDBHSA-N 389.412 -0.419 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@@H](N2CC=CC2)C1 1328534257 VQMXWHMGMXWSRH-JKSUJKDBSA-N 395.467 -0.142 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCC#N)c2)C[C@H](C)O1 1332792508 GCTWOBDFVVEDHY-WFASDCNBSA-N 375.381 -0.006 30 20 GBED CNC(=O)CN1CCC(NC(=O)C(=O)NCc2cc(C#N)ccc2F)CC1 1335433390 PJMJSFBIWRLDQM-UHFFFAOYSA-N 375.404 -0.360 30 20 GBED Cn1cc(N2CC[C@@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)cn1 1343519001 XXDPBRCXUCHMSH-CQSZACIVSA-N 388.453 -0.035 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C1 1349152763 LHYYGWZSIMTASU-KRWDZBQOSA-N 376.417 -0.969 30 20 GBED N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCOC[C@@H]3CCO)CC2)cc1 1356408409 JDBRHMQYMFYSMC-SFHVURJKSA-N 386.452 -0.188 30 20 GBED CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1357274214 YYAQJUIHGUKITI-LBPRGKRZSA-N 382.446 -0.129 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](CO)Cc1cnn(C)c1 1557093689 RJBWGTNGUNOVPN-IUODEOHRSA-N 391.453 -0.322 30 20 GBED C=CCn1cc(C(=O)N[C@]2(C)CCN([C@@H](C)C(=O)NCc3cnn[nH]3)C2)nn1 1575112703 WRJZPXMQHVODJR-YVEFUNNKSA-N 387.448 -0.519 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@H](C)CCCN=c1cc[nH]c(-c2nn[nH]n2)n1 1588351174 HVWCRPVIYPCPLD-KGLIPLIRSA-N 383.460 -0.127 30 20 GBED C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC[C@H]21 1588354351 LFECXHVLAAYMEG-IUODEOHRSA-N 382.428 -0.519 30 20 GBED C=C[C@](C)(O)CC(=O)NCC1(O)CN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 1588503642 BMZMNGUTTUMBDJ-KRWDZBQOSA-N 390.419 -0.004 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCCO1 1588505840 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VFTZADDVESEANP-OAILTHCBSA-N 391.453 -0.400 30 20 GBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1795079012 UEDFHTCABCETNW-DIYOJNKTSA-N 381.282 -0.155 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[S@](=O)CC 1797604680 ZIFRAMIVEHTWKR-QSFFEWJNSA-N 384.498 -0.227 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1C 1799371097 ATCIXKQCEJSXBT-PFFSRIRZSA-N 393.484 -0.230 30 20 GBED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1800490798 BPZUBCLRNQBALJ-AIUMHDJVSA-N 378.429 -0.614 30 20 GBED CCS(=O)(=O)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1815174734 RRDLGHURCFBRJM-GFCCVEGCSA-N 396.425 -0.076 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncn(C)n4)C3)C2)C1 1829664977 JLPMLNGZEZDAHT-SFHVURJKSA-N 375.429 -0.149 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1830056057 LCAPAOWYZRLNSB-MRXNPFEDSA-N 383.474 -0.381 30 20 GBED C[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)n1cncn1 1830064299 IJPYVGFOSDRKNB-KSSFIOAISA-N 390.444 -0.155 30 20 GBED O=C1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CN1 1831207481 NSKYJRSXNRFDPD-JXFKEZNVSA-N 389.452 -0.618 30 20 GBED NC(=O)[C@@H](N)CCC(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831670490 YETSLAJCYRKEMU-LSDHHAIUSA-N 392.456 -0.713 30 20 GBED C[C@@H](NC=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835101540 GNEMLSUJWCXMBT-DYESRHJHSA-N 399.447 -0.371 30 20 GBED C[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493610 MZUCCGIYMNPCNZ-OXJNMPFZSA-N 394.468 -0.478 30 20 GBED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)nn1C 1840161820 BTNHTENHXBDLCS-PXAZEXFGSA-N 398.485 -0.183 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840568925 WGHPFIISYWZRDS-MAUKXSAKSA-N 385.530 -0.041 30 20 GBED C/N=C(/NCCN1CCN(C(C)=O)CC1)N1CCO[C@H](c2cnn(C)c2)C1 261683643 DIVBCEQVPNYYOT-KRWDZBQOSA-N 377.493 -0.467 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 292299398 KEUIBTHYBRIZAH-CJNGLKHVSA-N 375.429 -0.307 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCNS(=O)(=O)N(C)C 298199370 VKGVNQZGUKTCOX-UHFFFAOYSA-N 386.405 -0.712 30 20 GBED Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C)(O)C2)ncc1C#N 349469587 WUQSQNRGQMKBRL-UHFFFAOYSA-N 388.471 -0.210 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCN(C)[C@@H](C)[C@H]1C 349600957 DGOWVETZOIUXOP-MELADBBJSA-N 380.536 -0.048 30 20 GBED N#CC1(NS(=O)(=O)CCCCS(=O)(=O)N2CCC[C@@H](O)CC2)CC1 349601678 OYTBMCXTLHETPF-CYBMUJFWSA-N 379.504 -0.081 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCCN(C(=O)c3cccc(N)c3)CC2)CCO1 409498799 FUIVDSYXFQICIK-MRXNPFEDSA-N 393.469 -0.114 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CCO1 410157587 ZPFPMCXIXFMDBV-ZBFHGGJFSA-N 394.453 -0.275 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@H](C)O[C@H](CO)C3)CC2)c1C#N 410977661 KVVYTNPWEAOXPJ-AAEUAGOBSA-N 393.469 -0.420 30 20 GBED CCS(=O)(=O)N1CCC(CNS(=O)(=O)N(CCC#N)CCOC)CC1 554518723 KUAFJBNTRBNEJH-UHFFFAOYSA-N 396.535 -0.255 30 20 GBED CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 565229819 OEGPFYPEFIHLBJ-ZWNOBZJWSA-N 393.512 -0.121 30 20 GBED CN(CCC(N)=O)S(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)C#N)cc1 573862285 HAKDCTSCLZLWIX-UHFFFAOYSA-N 388.471 -0.237 30 20 GBED CN(c1nccs1)S(=O)(=O)CCCS(=O)(=O)N1CC(O)(CC#N)C1 579128848 SDCAHRLENLOIFE-UHFFFAOYSA-N 394.500 -0.411 30 20 GBED COC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 583391998 PWCYDRJIHURONN-QWRGUYRKSA-N 377.444 -0.837 30 20 GBED CC#CC[C@@H](CO)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 591929502 QLDAXFKQFZOHPZ-LBPRGKRZSA-N 384.414 -0.053 30 20 GBED COC(=O)C12CC(C(=O)NCC#CCNC(=O)C34CC(C(=O)OC)(C3)C4)(C1)C2 592785433 NVUVTAOVHGFPLN-UHFFFAOYSA-N 388.420 -0.091 30 20 GBED N#C[C@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)N2CCn3nccc32)C1 594636266 DHBUHOLMOZFNMJ-CYBMUJFWSA-N 391.450 -0.310 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 609457510 DTFZLYUOGPAABL-MSOLQXFVSA-N 391.516 -0.141 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2Cc3ccccc3CN2C(C)=O)CC1 729370986 FHXIJEOPNBYRPI-LJQANCHMSA-N 382.464 -0.147 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H]2CN2CCOCC2)c1=O 743375103 MBTZGURZJXRPEU-MRXNPFEDSA-N 391.472 -0.702 30 20 GBED N#Cc1ccc(S(=O)(=O)NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 744008180 YPFCNEURCCTEFL-QHSBEEBCSA-N 389.389 -0.474 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(C)cn2)c1=O 758056856 XLMZPKBDWSLUTJ-UHFFFAOYSA-N 396.472 -0.098 30 20 GBED COC(=O)CNC(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 760372929 MKCQRMKXHXLNGD-UHFFFAOYSA-N 383.382 -0.675 30 20 GBED C=C(C)[C@@H](CC(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)OCC 778135357 FAJZEEOIQXKSRX-VXGBXAGGSA-N 376.431 -0.086 30 20 GBED Cn1c(N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c(C#N)c(=O)n(C)c1=O 826355623 HPZOZDPMAHJNIF-AWEZNQCLSA-N 394.395 -0.286 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCCN2C(=O)CCC)CC1 831560981 MEPVULZNOYJERM-HNNXBMFYSA-N 384.502 -0.221 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)CC1 831584604 NBZZVUZMMVIUEB-RBSFLKMASA-N 382.486 -0.707 30 20 GBED Cn1c(=O)c(C(=O)CN(CC#N)CC(=O)O)c(N)n(Cc2ccccc2)c1=O 833037754 REVYDWHCXUKNIC-UHFFFAOYSA-N 385.380 -0.730 30 20 GBED C=C[C@H](CO)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 856276025 OBZOPDNVEDFLDZ-CQSZACIVSA-N 399.444 -0.045 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](C)C1 949472246 QHRIHFNLQWZZRY-JWDQPFGJSA-N 391.472 -0.165 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2ccnc(C(=O)OC)n2)C[C@H]1O 1041385724 IIWBUYMJXPBVAB-JLNYLFASSA-N 376.413 -0.090 30 20 GBED CN(C)S(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccncc1C#N 1092917916 MJCNRRLSPSLVSH-IPYPFGDCSA-N 378.458 -0.425 30 20 GBED C=CCN(CC=C)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 1109715735 AJVZLAHWSGEIEW-JSRQGNBESA-N 390.484 -0.059 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCc3nc(C)ncc3C2)CC1 1116994796 UORGJLJABNXMTM-INIZCTEOSA-N 383.452 -0.253 30 20 GBED CC#CCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)NCCOC)cc1 1117082378 UODZFRHAZLIJGG-UHFFFAOYSA-N 381.454 -0.243 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)C1=O 1117423456 TZWMAOVUQCOHRP-IHRRRGAJSA-N 385.486 -0.296 30 20 GBED O=C(CNS(=O)(=O)c1ccccc1)NCCN/C(O)=C1/N=CC=CC1=O 1117676253 XHCLSGOJPRNTJI-NXVVXOECSA-N 378.410 -0.393 30 20 GBED COC(=O)C1(C#N)CCN(C(=O)CNS(=O)(=O)CCOC(C)C)CC1 1157760239 JYQCTKAFDVQHNV-UHFFFAOYSA-N 375.447 -0.364 30 20 GBED C=CC[C@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)OCC 1320420416 ORTOPXOJUFJKJX-AAEUAGOBSA-N 385.442 -0.224 30 20 GBED CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)NCc2ccc(OCC#N)cc2)C1 1321878349 WCYDQHZTPKDUFC-CQSZACIVSA-N 394.453 -0.255 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NC[C@@H](C)CN2CCN(CC)CC2)nn1 1325961565 NRAUBDGCKNZXMW-OAHLLOKOSA-N 377.493 -0.530 30 20 GBED C#CC1CCN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 1332182126 PTBFIOHMAIWJDI-UHFFFAOYSA-N 384.484 -0.023 30 20 GBED C#CCCCn1nnnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 1334116641 LXQRBLFYKBBHIX-GJZGRUSLSA-N 397.505 -0.438 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)CC1 1335061170 VSGQHNHOKKYQNN-UHFFFAOYSA-N 385.486 -0.448 30 20 GBED N#Cc1ccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)nc1 1339593814 NEUZHOOBLGRLEB-CQSZACIVSA-N 391.453 -0.986 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccn3)CC2)CCN1C1CC1 1351848352 MROSSXHSSFLTLJ-GOSISDBHSA-N 382.468 -0.075 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2C[C@@H](C(=O)OCC)C3(COC3)C2)CC1 1356344161 IRPPCEUJTDCPIM-AWEZNQCLSA-N 380.441 -0.046 30 20 GBED C#CCO[C@H](C)C(=O)N(CC)[C@@H]1CCN(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575004947 QIOUCJDKEVANCP-UKRRQHHQSA-N 390.444 -0.701 30 20 GBED C#Cc1cncc(C(=O)NCC[C@H]2CCN(CC(=O)NCc3cnn[nH]3)C2)c1 1575033216 XLKUYESPGYDORX-HNNXBMFYSA-N 381.440 -0.061 30 20 GBED C[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)C1(N2CCOCC2)CCCC1 1586035160 JMQBJGGYJVVTLT-CYBMUJFWSA-N 375.429 -0.030 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@H](C(=O)O)C2)cc1 1588486351 VYNGJBNYLCPJGM-AWEZNQCLSA-N 379.438 -0.314 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H]3CCOC3)[C@H]2C1 1791819028 TVHMPBNSNGIOOH-VGWMRTNUSA-N 378.425 -0.129 30 20 GBED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nccnc2C(N)=O)C3)C1 1792440903 FNMRFKNLHRXREE-BTTYYORXSA-N 385.424 -0.255 30 20 GBED O=C(C#CC1CC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796571002 PSSOGBSQUZNRMC-CLLJXQQHSA-N 381.396 -0.522 30 20 GBED CN1CCN(C2(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC#N)C4)CC2)CC1 1799191455 FYAFAUJGKMLAQM-ALXJQNPVSA-N 389.500 -0.340 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2 1799305179 UEXJOAHLTCJFGD-XOIINTDNSA-N 391.428 -0.623 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccccc13)C2 1800777109 CYELVLGFELTGLA-DPIQGUFMSA-N 382.376 -0.146 30 20 GBED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)CN3CCNC3=N)CC2)CC1 1834704677 CPCHRHSTQSKEHN-ZDUSSCGKSA-N 396.561 -0.284 30 20 GBED C=CCC(=O)N1CCC(N2CCC(NC(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1834736009 FDBQOPNTZVXJTF-MRXNPFEDSA-N 379.505 -0.273 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1834768109 YVSYUTNCJDAVAH-IBGZPJMESA-N 386.408 -0.231 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(C)=O)CCO2)C1 1834864926 VDFZXKBTUHTLPA-APWZRJJASA-N 380.441 -0.150 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835114932 URSUJONYVMFNBG-DOXZYTNZSA-N 395.456 -0.688 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(C)(C)O)CCO2)C1 1835260489 CKMUSNMJRDARRK-HNAYVOBHSA-N 382.457 -0.358 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)C=C)CCO2 1837703101 VRNZDAFXBZSIQF-OXQOHEQNSA-N 391.468 -0.063 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837794225 LDHVVKHCEWCEEH-INIZCTEOSA-N 392.372 -0.308 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838376786 JQEMSHLDRIEBQN-ZBEGNZNMSA-N 382.442 -0.430 30 20 GBED Cc1ccn(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043009 BWXQXFMCRGTRAF-IBGZPJMESA-N 389.408 -0.508 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)CCn1ccnn1)CCO2 1840445646 FOJMZHBPXKVGBN-IBGZPJMESA-N 387.440 -0.462 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CN(C)C3)CCO2)C1 1840571649 FQJNMQGCTHDNQR-DNVCBOLYSA-N 396.488 -0.195 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)c1ccccc1)CCO2 1840902554 FDWVJOCLZPTLDE-IERDGZPVSA-N 399.447 -0.106 30 20 GBED C/N=C(/NCCN1CCN(C(C)=O)CC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 262603118 ZFYUPQQGFXYWSE-QGZVFWFLSA-N 394.520 -0.951 30 20 GBED C=CCCS(=O)(=O)NCCS(=O)(=O)CCNS(=O)(=O)CCC=C 283570170 PZFFBUOSDXRPMY-UHFFFAOYSA-N 388.533 -0.608 30 20 GBED C[C@H]1CN(/C(O)=N/C[C@H](C)CN2CCN(C)CC2)CCN1S(C)(=O)=O 329246912 VXNYIRZBRIEOCO-GJZGRUSLSA-N 375.539 -0.250 30 20 GBED CC(C)C/N=C(/O)NC(=O)[C@@H](C)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 330643667 RWFDZQZLNZTQTR-CYBMUJFWSA-N 395.460 -0.646 30 20 GBED Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CCN(CC#N)CC2)o1 348357009 WGJFBTHQTXFMAJ-UHFFFAOYSA-N 391.475 -0.414 30 20 GBED C[C@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)N1CCCn2ncnc21 349573178 JJZWZQJWLGSKFF-LLVKDONJSA-N 376.464 -0.713 30 20 GBED N#Cc1cccnc1NS(=O)(=O)CCCCS(=O)(=O)N1CC[C@@H](O)C1 349584701 BJQJVALZDFCVIT-CYBMUJFWSA-N 388.471 -0.128 30 20 GBED N#CCN1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2cn[nH]c2)CC1 349588625 IWTOSYOBZIWCDY-UHFFFAOYSA-N 390.491 -0.597 30 20 GBED C[C@@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1)c1ccc(C#N)cc1 424514976 HMADJWKRZQXZMP-MFKMUULPSA-N 379.394 -0.554 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H]3CCC(=O)NC3=O)n2)c(F)c1 440530833 ZNSLRAJLLVTZPD-NSHDSACASA-N 384.327 -0.257 30 20 GBED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(c2ccc(C#N)cn2)CC1 497488955 CNMBDTVLWAFCSF-GFCCVEGCSA-N 397.439 -0.674 30 20 GBED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 545999933 XSALFSSPSMRUNR-NSHDSACASA-N 380.426 -0.002 30 20 GBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 592950984 FDGHVBRIMFUBCD-CHWSQXEVSA-N 381.410 -0.781 30 20 GBED COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 600037915 LEDOIUXHQIFJME-RYUDHWBXSA-N 391.384 -0.312 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)NCC#N)c1 731237886 ROALJICRPGALDB-UHFFFAOYSA-N 384.414 -0.938 30 20 GBED N#CCNC(=O)COC(=O)c1cc(S(N)(=O)=O)c(Br)s1 731243923 GHISPMSRJUVSIF-UHFFFAOYSA-N 382.217 -0.045 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC1 734843798 QUJBJKCKCBDIGF-UHFFFAOYSA-N 390.465 -0.972 30 20 GBED C#CCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 743971271 ASLDLCAKHHREFX-UHFFFAOYSA-N 392.437 -0.725 30 20 GBED Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)c2cccc(C#N)c2)n(C)c1=O 748221695 OZRCYWVTLLDYIP-UHFFFAOYSA-N 381.348 -0.269 30 20 GBED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C2=NN(CCO)C(=O)CC2)C1 756920044 MFVFBHBDGIQKON-AAEUAGOBSA-N 379.417 -0.168 30 20 GBED COCCCS(=O)(=O)NCC(=O)OCc1cc(O)n2ncc(C#N)c2n1 784263450 YBJBNHFFGUOWQL-UHFFFAOYSA-N 383.386 -0.694 30 20 GBED C#C[C@H](NC(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O)[C@H]1CCCO1 808158755 AGTMPJUOBOOBIP-YESZJQIVSA-N 384.436 -0.014 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1)[C@H]1CCCO1 809303730 AMABHCBBXFJLAE-VEVIJQCQSA-N 376.413 -0.880 30 20 GBED COc1ccc(CNC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1C#N 809504515 YKWLYVNBHCFMTD-CQSZACIVSA-N 394.453 -0.277 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2Oc3ccccc3O[C@@H]2C)CC1 831556842 VXWPLIQQUTZOHA-CJNGLKHVSA-N 379.438 -0.173 30 20 GBED CCOC(=O)CON=C(C(=O)N1C[C@H](C)N(CCO)[C@H](C)C1)c1cc[nH]n1 836868589 OCHFOSMICBZQMN-BETUJISGSA-N 381.433 -0.393 30 20 GBED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cnc(N)nc2N)CC1 842526840 FDALLQCWEYCGNW-UHFFFAOYSA-N 391.461 -0.582 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@]34CCC[C@H]3OCC4)C[C@@H]2O)nn1 963311088 WAZLMQGNOVLGAD-PXMRGAAZSA-N 375.429 -0.275 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 1022770962 RJROVUZDQYGEJG-YJNKXOJESA-N 390.440 -0.421 30 20 GBED C=CCOCC(=O)N1CCC[C@@](CO)(NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1056042203 NDPKRHKSANTTBS-MFWIUYSUSA-N 382.457 -0.290 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@H]1CCN(C2CC2)C1 1117046247 OECPCOUOKYIIBN-LSDHHAIUSA-N 397.483 -0.014 30 20 GBED C=C(C)COCCNC(=O)C(=O)NCC1CCN(S(=O)(=O)CC)CC1 1117554086 WMTSIFQVMUGYRA-UHFFFAOYSA-N 375.491 -0.127 30 20 GBED C=CCCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)n1 1130238181 XPCBGVKSRTXSCT-FQUUOJAGSA-N 392.460 -0.508 30 20 GBED N#CCN1CCC(CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 1252832283 DJDHVMOGJGFJEL-CABCVRRESA-N 382.486 -0.626 30 20 GBED C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1326651257 IOZFFIMOKBJLRG-HOCLYGCPSA-N 392.481 -0.228 30 20 GBED CCC(C)(C)N1CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1326869406 VWWUUFNNJVSERI-FOCLMDBBSA-N 391.472 -0.038 30 20 GBED Cn1cnnc1CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1327993427 IWLPCVFWOAQDRG-UHFFFAOYSA-N 376.442 -0.007 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N(CCOCCO)C2CCC2)CC1 1329740632 JPHZFKVPCUEFOC-UHFFFAOYSA-N 379.457 -0.636 30 20 GBED CN(C)C(=O)NC1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1468264014 PZOUSUDSKZXOTG-UHFFFAOYSA-N 393.469 -0.013 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(c2cc(C)ncc2-c2nn[nH]n2)C1 1573286828 IUZJKNOOKRJLBC-ACJLOTCBSA-N 385.428 -0.334 30 20 GBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 1573342713 APGNFRDBZCKLPL-LLVKDONJSA-N 375.389 -0.645 30 20 GBED C#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3cnn[nH]3)cn2)cn1 1575021705 IWWHEZCZUIGPCQ-HNNXBMFYSA-N 391.391 -0.236 30 20 GBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588354232 JKVAMFDJMLYAEO-MNOVXSKESA-N 386.416 -0.653 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCNC[C@H](O)COc1ccccc1-c1nn[nH]n1 1607036854 BRPWWJBKDUPUDI-FRTIYWTKSA-N 399.411 -0.278 30 20 GBED COc1cc(C=NNC(=S)NCC(N)=O)c([N+](=O)[O-])cc1OCC(=O)O 1776042354 IATOSIMBLYMFNY-UHFFFAOYSA-N 385.358 -0.650 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](O)NC(=O)OCC)C3)C2)C1 1778779921 XTTJQHUBOXCKQU-KDOFPFPSSA-N 381.429 -0.153 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778939532 JNSMZDFRLGXKFZ-SFHVURJKSA-N 392.412 -0.798 30 20 GBED NC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779105631 GPMWCBCPCXIQJL-CLBJDOSESA-N 396.444 -0.389 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2C1 1784578103 CYOFFLJAOAQRFD-YYFQZIEXSA-N 395.456 -0.352 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCOC3)[C@H]2C1 1791750819 BUUHVRIUNLSIAX-HJHTZSRXSA-N 391.468 -0.139 30 20 GBED CN1CCN(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)CC1 1795443794 VKNAQRIMSSYVSO-RMFSNUHRSA-N 388.512 -0.373 30 20 GBED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](NC)C(=O)O 1795638403 CDNYSMVQIFVYNY-OQMKEHIESA-N 385.486 -0.442 30 20 GBED Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)S)C3)no1 1797829741 OWCOSQNWXZVTEZ-OHTBPHCPSA-N 396.469 -0.379 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2 1799395355 NMEAOLHQOKUMCC-HGTKMLMNSA-N 378.433 -0.331 30 20 GBED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)C2 1800544019 FBWVSWMFUDIDDO-OPDFLTKYSA-N 388.415 -0.620 30 20 GBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1800988373 MFYKWVOBKMWKLR-GVRJEKJASA-N 384.546 -0.470 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NCC=C)CCO2)C1 1829773556 MQQISVTXYHQPEY-WHXUGTBJSA-N 389.452 -0.285 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831433100 GGVRKKIGSVRUNK-KSSFIOAISA-N 380.397 -0.878 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832208921 CTWSMGLMJXNADL-LJQANCHMSA-N 383.408 -0.479 30 20 GBED Cn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1833858202 CWLAKGDCQSAGRM-SFHVURJKSA-N 375.381 -0.817 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H](NC)C(=O)O)CCO2 1835766419 NREPUMNCEIRBAM-DNVCBOLYSA-N 395.456 -0.691 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc[nH]3)C2)C1 1840041833 JYVXHWIDLKCCPC-IBGZPJMESA-N 389.408 -0.508 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1840169467 GQJCAERVVZKQOW-IBGZPJMESA-N 379.457 -0.228 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1840843029 PIUDGXSOLVAFSH-QFBILLFUSA-N 395.456 -0.993 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CNC(=O)C(F)(F)F)C2 1841602823 YMNQCWRMTNVOLP-LLVKDONJSA-N 375.347 -0.093 30 20 GBED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)CC[C@H](N)C(N)=O)C1 1842948467 RGPDLQCKXPNDGV-HNNXBMFYSA-N 399.451 -0.267 30 20 GBED CCn1cnnc1CN/C(=N/C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 261693144 FIVTUBUQBNPBGM-UHFFFAOYSA-N 396.477 -0.491 30 20 GBED CC(=O)NCCNC(=O)CCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 267363459 LZZRAMOPYRVJKE-AWEZNQCLSA-N 395.460 -0.010 30 20 GBED COC(=O)[C@H](N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cccc(C#N)c1 267620815 QDJRHZPOIVDCPF-GVDBMIGSSA-N 393.465 -0.140 30 20 GBED COCCNC(=O)/C(C#N)=c1/s/c(=C\c2sccc2OC)c(=O)n1C 268850142 KFEPBPJNROMAIR-IVRXGZHQSA-N 379.463 -0.217 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(N3CCOCC3)ccn2)CC1 275817970 GUYGQYAGSOMZIF-UHFFFAOYSA-N 385.468 -0.185 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 282251425 FUOIPDYBXGSNBX-MNOVXSKESA-N 381.501 -0.049 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)C1=O 283636496 UIUCWXHOVUVIAT-IRXDYDNUSA-N 393.532 -0.380 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCN(C)C(=O)[C@H]1C 349599549 KALQIIDYYCUPOR-QWHCGFSZSA-N 394.519 -0.567 30 20 GBED N#C[C@H]1CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CCO1 376994841 NMCIFUVPGDFUAT-IPYPFGDCSA-N 383.401 -0.299 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCNS(=O)(=O)c1cccnc1 409518357 MECKBKVYBPDEOQ-LBPRGKRZSA-N 375.476 -0.324 30 20 GBED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 445199828 SLPVSAHLSNWBIE-KBPBESRZSA-N 398.379 -0.398 30 20 GBED CN(CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1 485528414 CKLDEYUJLSUNIF-QGZVFWFLSA-N 383.452 -0.014 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 553395576 LXTWSZCQZTUJFO-OAHLLOKOSA-N 386.518 -0.317 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 558672107 FQXGNQFIGIDOPF-YPMHNXCESA-N 397.505 0.155 30 20 GBED CCN1CCCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)CC1 566486043 HVVBGZDRWGSUEQ-UHFFFAOYSA-N 380.536 -0.045 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC(O)(CC#N)C2)cc1 569624267 VZPBCFGOCXYDFT-LBPRGKRZSA-N 398.466 -0.132 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)CC1 571620268 SZDRYBTWTNYJIB-CVEARBPZSA-N 396.451 -0.129 30 20 GBED CC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1)C(N)=O 572497372 NFFXRRZWEWMDPF-GFCCVEGCSA-N 386.455 -0.437 30 20 GBED C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CC[C@@](O)(CC#N)C1 592149270 LXTWRPJYLGBJPS-PXAZEXFGSA-N 378.454 -0.038 30 20 GBED CS(=O)(=O)N1CCN(CCNC(=O)NCCc2ccc(C#N)cc2)CC1 595494355 AYMNVZFCAPYGMI-UHFFFAOYSA-N 379.486 -0.023 30 20 GBED COC(=O)[C@H]1CC[C@H](C(=O)OC)N(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 600037914 LEDOIUXHQIFJME-NWDGAFQWSA-N 391.384 -0.312 30 20 GBED Cc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)c1 608911859 TWAOEDLMOITMCA-UHFFFAOYSA-N 398.488 -0.021 30 20 GBED C#CCN(CC)C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 732704824 ZOMMQCROPIDDBT-UHFFFAOYSA-N 393.469 -0.417 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCCCN1C(=O)CNC1=O 733378533 QOROXOMOHLUPNI-UHFFFAOYSA-N 394.409 -0.400 30 20 GBED CN(CC(=O)O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 737403701 FWPXIYYGBBABQM-UHFFFAOYSA-N 380.426 -0.592 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 738675174 YAXOMMDHLPXDNU-LLVKDONJSA-N 383.382 -0.104 30 20 GBED C[C@H](OC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)N(C)CCC#N 745441489 HBGMNRJBLJFJOW-DHRKEOQWSA-N 377.397 -0.159 30 20 GBED CCOC(=O)CON=C(C(=O)NC[C@H]1CCCCS1(=O)=O)c1cc[nH]n1 772544628 PNHZWLKZFGMRPD-LLVKDONJSA-N 386.430 -0.223 30 20 GBED CCN(CCCNC(=O)C(=O)NCCNc1ccc(C#N)cn1)S(C)(=O)=O 793767209 SCCMGMUZZYHFPM-UHFFFAOYSA-N 396.473 -0.731 30 20 GBED C=C(Br)CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 804379625 OWRDZJLFDYOQFT-QYVSTXNMSA-N 386.206 -0.242 30 20 GBED N#Cc1c(-c2nn[nH]n2)ncn1CC(=O)N(CCC(N)=O)Cc1ccccc1 826383392 YNSJMKFJZPLCAV-UHFFFAOYSA-N 379.384 -0.161 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](O)C[C@@H](C(=O)OC)C2)cc1 844112722 YYMKQKSDEBQJLP-ZIAGYGMSSA-N 380.422 -0.406 30 20 GBED CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 845944861 UEKXZRAJVVSKJI-NWDGAFQWSA-N 389.478 -0.400 30 20 GBED C#CCNC(=O)CN1CCN(C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 846798062 XRAGCCAIUQSNFY-LJQANCHMSA-N 380.489 -0.275 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)N1CCCN(CC(=O)N(CC)CC)CC1 875601033 WURCJURRIWZSDU-QGZVFWFLSA-N 394.516 -0.066 30 20 GBED C#CCN1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)[C@H]4C[C@H]4C(N)=O)C[C@@H]32)CC1 976030133 OLSYVUOORNBNHA-RANZSIQMSA-N 386.496 -0.098 30 20 GBED Cc1ccc(C#N)c(N2C[C@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C2)n1 1044539260 ZMQSCKZHCXAFHZ-QXSJWSMHSA-N 387.440 -0.437 30 20 GBED N#Cc1cnc(N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)cn1 1051480014 KLWAZPLKNDOVIV-FTBKSCEHSA-N 392.423 -0.091 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ncnn1CC(F)F 1109168284 SDYHDKRGKULVNT-AGIUHOORSA-N 380.399 -0.096 30 20 GBED N#CCOc1ccc(CC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1116027445 DLTZWSWQHCYUHS-CQSZACIVSA-N 379.438 -0.059 30 20 GBED COCCO[C@H]1C[C@@H](CO)CN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 1321008642 GMKMCBICDPPQTE-CABCVRRESA-N 393.444 -0.084 30 20 GBED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1325729235 UXMAGTCRQYHPMT-NVXWUHKLSA-N 383.452 -0.088 30 20 GBED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)N3CC[C@@H]4NC(=O)OC[C@H]4C3)C2)nc1 1325960683 VZBCXQGEERXDLV-ILXRZTDVSA-N 399.407 -0.110 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)nn1 1326700541 DEYSKBXQXHTWRO-INIZCTEOSA-N 382.424 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C#CC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1)C(=O)OC 1588334245 RETHPNPFVARVEI-GXTWGEPZSA-N 382.380 -0.099 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1591362335 UKJHHQIVIFMLSA-BFHYXJOUSA-N 390.425 -0.523 30 20 GBED O=C(O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)C#Cc1ccc2c(c1)OCO2 1602197504 IQXJGKWOHHNNMR-RYUDHWBXSA-N 385.332 -0.627 30 20 GBED C#Cc1ccc(C(=O)NC[C@@H]2CN(c3cncc(-c4nn[nH]n4)n3)CCO2)nc1 1602739239 DXAKGNHFRBVAEP-CYBMUJFWSA-N 391.395 -0.332 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)O)C2)C1 1603130062 QHHRHDLYUWNDGD-KTEZZQQRSA-N 393.487 -0.277 30 20 GBED CS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1770363291 YDZRUNDWHJJFLY-HZMBPMFUSA-N 385.425 -0.780 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCNC(=O)C2)C1 1782273588 HTPADIHALGOVAE-IQUTYRLHSA-N 391.424 -0.886 30 20 GBED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OCC)C2 1783166165 ZYJZTJBRFHHJOV-SIXWZSSISA-N 395.456 -0.022 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)Cn3cnc4ccccc43)C2)C1 1783751500 IMPHUJXZWCRERO-FQEVSTJZSA-N 396.403 -0.046 30 20 GBED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCO2 1783903677 XYMBOGNGMXAYCR-MAUKXSAKSA-N 399.513 -0.052 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cnnn3)C[C@@H]21 1784505900 YYKYIIQXHVQYFT-QRJUGERDSA-N 392.460 -0.195 30 20 GBED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1784537521 VKBHODZRCWGJBH-OJFNHCPVSA-N 385.530 -0.357 30 20 GBED NC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788681012 GUUSLFBMFAQMCI-DRERCTCGSA-N 390.440 -0.056 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C(/C)C(=O)O)C2 1792491329 LNYRZCLNUYHCTA-CQIOVPBSSA-N 391.424 -0.535 30 20 GBED COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795411093 QOSAWWOGNMGDMG-XGUBFFRZSA-N 378.429 -0.969 30 20 GBED COC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798694579 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IVQRJJJEIYXNRY-KSSFIOAISA-N 386.445 -0.347 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1831421970 XLRUDRKPDYHRCG-HNAYVOBHSA-N 398.456 -0.013 30 20 GBED Cn1cnc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1 1834287423 KWCYFGSKLWVILA-UHFFFAOYSA-N 387.440 -0.307 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)C)CCO2 1834726502 UHUIKWJPKGTYOJ-VOFKWLDRSA-N 379.457 -0.043 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1834758488 OLZOZRCRJBVHRL-QGZVFWFLSA-N 376.369 -0.524 30 20 GBED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1837672373 IGBGTNOPHJVQBN-KBXCAEBGSA-N 380.445 -0.339 30 20 GBED Cc1nn[nH]c1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838002187 GBOHIAMTNOFZJF-UHFFFAOYSA-N 389.412 -0.187 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838535746 BQEUEUKYQZIVPF-ACJLOTCBSA-N 395.481 -0.226 30 20 GBED CC(C)CNC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840160349 FGBRCYOMAYZGBD-SUMWQHHRSA-N 387.502 -0.467 30 20 GBED CNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 25172040 NBYSZTZTBYNEBN-GFCCVEGCSA-N 379.442 -0.291 30 20 GBED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cncs2)c1=O 255201725 WRWYWPCMMAGZBP-UHFFFAOYSA-N 376.463 -0.206 30 20 GBED C/N=C(/NC[C@H]1CCc2nnc(C)n2C1)N1CCN(c2cnn(C)c2)C(=O)C1 261722296 KXLHOUFAPFAIFW-CQSZACIVSA-N 385.476 -0.193 30 20 GBED C=CCCO[C@@H](C)C(=O)N1CCO[C@H](CN(CC(=O)O)S(C)(=O)=O)C1 262912470 JXQJTHYUNQRGOR-STQMWFEESA-N 378.447 -0.459 30 20 GBED CN1CCN(c2ncccc2C/N=C(\N)NCCCN2CCOCC2)CC1 264076433 FWRWQTPYNXJLQE-UHFFFAOYSA-N 375.521 -0.040 30 20 GBED O=C(NCC#CCO)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 283230586 IRHREMQJHKAVME-UHFFFAOYSA-N 394.449 -0.030 30 20 GBED N#Cc1cc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc(N)c1[N+](=O)[O-] 283467486 FZHCFZNEVIDWPF-UHFFFAOYSA-N 388.384 -0.444 30 20 GBED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1 293267450 FLKPDZAOFQWNNG-UHFFFAOYSA-N 380.470 -0.087 30 20 GBED C=CCN(C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)[C@H]1CCS(=O)(=O)C1 328803288 JXTDNDNVHKABEV-YAYDYNKSSA-N 396.465 -0.259 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)C3CC3)CC2(C)C)C1=O 329188817 BSKLGJSXVLDEKU-UHFFFAOYSA-N 376.413 -0.177 30 20 GBED C[C@H]1CN(C(=O)Cn2cc(N=C(O)N3CCS(=O)(=O)CC3)cn2)C[C@H](C)O1 329948680 ZGTIHHKDVNKRNH-STQMWFEESA-N 399.473 -0.205 30 20 GBED C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)CCCS(=O)(=O)NCC#N 349463046 BEMWAMLGNJKNJA-ZIAGYGMSSA-N 378.520 -0.292 30 20 GBED C[C@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(C#N)cn1 349483760 QYMIBWVVXBYINN-NSHDSACASA-N 376.460 -0.273 30 20 GBED CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CN(C)C[C@@H]2C1 349495228 OIBBYYYSDZMYTR-QLFBSQMISA-N 392.547 -0.237 30 20 GBED Cn1nc2c(c1NS(=O)(=O)CCCS(=O)(=O)NCCC#N)CCC2 349590739 JXIQVIYYIMMWCG-UHFFFAOYSA-N 375.476 -0.126 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCN(Cc3cn4ccccc4n3)CC2)CCO1 409535830 JHGRTAIYVKJFBW-INIZCTEOSA-N 390.469 -0.079 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCCN1CCN(c2ncccn2)CC1 409572291 ZGJOTFMKJVRLEV-UHFFFAOYSA-N 397.505 -0.705 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H](S(C)(=O)=O)C2)n1 461783169 CCRXBMOWXFRVLA-LBPRGKRZSA-N 381.458 0.484 30 20 GBED COC[C@@](C)(NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 465145319 OHQWEPQSSUOFLF-MRXNPFEDSA-N 383.426 -0.127 30 20 GBED N#Cc1ccccc1N1CCCN(C(=O)C(=O)N2CCO[C@H](C(=O)O)C2)CC1 591567408 YRQSTKYPSBYUTD-INIZCTEOSA-N 386.408 -0.091 30 20 GBED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 596749777 SVMMGGIMSMALDO-UONOGXRCSA-N 379.442 -0.403 30 20 GBED C#CCNC(=O)[C@@H](C)OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 758085226 GEDYSGOOOHPKPE-MFKMUULPSA-N 388.829 -0.340 30 20 GBED C#CCNC(=O)C1CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC1 766405559 OJPKREQVTUUJPC-UHFFFAOYSA-N 380.445 -0.385 30 20 GBED Cn1cc(S(=O)(=O)NN=C/C=C\c2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O 771892887 VPVONJGFOKAVGB-WQHGMTQVSA-N 393.381 -0.030 30 20 GBED C=CCS(=O)(=O)CCNC(=O)NCc1cc(S(N)(=O)=O)ccc1F 783012667 WOUIDCXZHLBPLR-UHFFFAOYSA-N 379.435 -0.127 30 20 GBED C[C@@H](OC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)NC1(C#N)CCC1 785659210 BQBYACFWAKUGLX-CABCVRRESA-N 392.456 -0.339 30 20 GBED C[C@H](OC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)NC1(C#N)CCC1 787621713 OHJWMCMLPJXQDQ-JTQLQIEISA-N 385.380 -0.260 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCc1cccc(S(=O)(=O)NC)c1)[C@H]1CCCO1 787852737 SLGRMPKFMABWFK-HUUCEWRRSA-N 379.438 -0.492 30 20 GBED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 803861885 LTINOUPKHRQTBD-QLJPJBMISA-N 398.441 -0.159 30 20 GBED C=CCCn1cc(C(=O)OCCCn2c(=O)c3c(ncn3C)n(C)c2=O)nn1 820977340 ZWCWOPNOVQPGRP-UHFFFAOYSA-N 387.400 -0.152 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CSCN2C(=O)OCC)CC1 828749611 IWJGJENSJYCMSI-GFCCVEGCSA-N 390.487 -0.870 30 20 GBED CN(C1(C#N)CCC1)S(=O)(=O)CCCS(=O)(=O)N[C@]1(C)CCOC1=O 848963659 YNHUCWGVHBKZIK-CYBMUJFWSA-N 393.487 -0.291 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)c1 855472614 ZRXTYRWKZINKSN-KBPBESRZSA-N 386.451 -0.860 30 20 GBED CN(CCCNC(=O)COC(=O)c1cccc(C#CCO)c1)S(C)(=O)=O 860076858 JKOOLGHOPHAVHV-UHFFFAOYSA-N 382.438 -0.415 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2c[nH]c(C(N)=O)c2)C1 963614922 IFIBXOAFZGFREO-UKMLZYKCSA-N 390.440 -0.214 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nnnc2C(C)C)C[C@@H]1O 970711487 GRVCBZXIDWXPTA-MQYQWHSLSA-N 378.433 -0.925 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CN(C(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 992033115 XPTSKGUXRQOEQT-JONQDZQNSA-N 379.457 -0.070 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1C 994643384 YCSYBNUKMHAXKV-FPCVCCKLSA-N 379.457 -0.353 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2c(O)nnc2O)cn1 1004740045 MSNQNKZZBUGLBH-MCIONIFRSA-N 382.380 -0.373 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CC(=O)NC1=O 1006384433 OPBPUXXXGRKOKF-POQQGIQPSA-N 376.413 -0.623 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2c(C)csc2=O)C[C@H]1O 1025711348 OGHSYWIPVQCYOO-SYQHCUMBSA-N 381.454 -0.503 30 20 GBED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1nccnc1C#N 1093056336 VBSBMYSEVRWDOB-BYNQJWBRSA-N 378.458 -0.098 30 20 GBED N#Cc1cccc(NC(=O)CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 1116424772 NPHVHTPAEQLQGE-HOTGVXAUSA-N 378.454 -0.728 30 20 GBED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(C)C2=O)cc1 1118245996 OOUJPLRNWDZCHB-FZMZJTMJSA-N 392.437 0.000 30 20 GBED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CC1(CC#N)CC1 1184535291 ZJTRXRKJCLSIKO-GFCCVEGCSA-N 377.488 -0.365 30 20 GBED CCN(CCC#N)C(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1189117771 MFHPLUSBZUCIDQ-XUWVNRHRSA-N 391.472 -0.686 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCC(CCCO)CC1 1322696163 UNYOZMMQPKLABV-FOCLMDBBSA-N 378.429 -0.360 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 1326966606 QLGULQPROVKYJU-CQSZACIVSA-N 379.438 -0.535 30 20 GBED C=CCCOCCNC(=O)C(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1 1327132169 DHYOFHWQLDUSBT-UHFFFAOYSA-N 379.417 -0.063 30 20 GBED CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C(=O)N1CCN(CCC#N)CC1)CC2 1329395316 GIZSYBXHHRQVSF-JKSUJKDBSA-N 378.473 -0.177 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC3(CC2)C[C@H](O)CCO3)C1=O 1335544368 RRVMKEHLDQTLNP-HUUCEWRRSA-N 379.457 -0.236 30 20 GBED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1 1344758198 QVZFQDHGQVGSNJ-KBXCAEBGSA-N 397.451 -0.864 30 20 GBED COC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)OC 1518715024 QGZHQNRMWXOOLR-ZIAGYGMSSA-N 378.433 -0.096 30 20 GBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1O 1573336082 HWUFFHPQMKVGCX-LERXQTSPSA-N 389.416 -0.523 30 20 GBED C=CC(C)(C)C(=O)N1CCC(N(CCO)CC(=O)NCc2cnn[nH]2)CC1 1575061355 GDDWJAZGONXAGP-UHFFFAOYSA-N 378.477 -0.082 30 20 GBED N#Cc1nccnc1NCCN(CCO)C(=O)[C@@H]1CCCN1Cc1cnn[nH]1 1577721508 MKPKQXOLURYSFA-HNNXBMFYSA-N 385.432 -0.636 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N[C@H]1CCN(c2sccc2C(=O)O)C1=O 1588693318 WIGIANCGUYDUQR-KOLCDFICSA-N 381.410 -0.015 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](C)[C@@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)C2)nn1 1588711331 OPXIOSRDYKJUGY-MNOVXSKESA-N 381.404 -0.571 30 20 GBED COC(=O)[C@@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C[C@@H]1C(=O)O 1598810447 KUQZCGZCFCFPMD-UONOGXRCSA-N 394.405 -0.195 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)N1CCN(c2cnccc2-c2nn[nH]n2)CC1 1609020846 MWIZNHDJBPEVFF-UHFFFAOYSA-N 392.423 -0.605 30 20 GBED N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cn[nH]c2)CCO1 1750388557 PWDPFMVRGQSAHS-KGLIPLIRSA-N 391.457 -0.125 30 20 GBED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)C[C@@H]21 1785016595 BTWDITJKGGUDKM-QXKUPLGCSA-N 383.514 -0.392 30 20 GBED C=CC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)C[C@@H]21 1790825383 CCPYUBUPNSIXIW-QTVXIADOSA-N 392.456 -0.224 30 20 GBED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1791267168 XZLBGPRKXPYDBW-RCWTZXSCSA-N 397.419 -0.037 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C)nc1OC)C2 1793342428 OEWNZNVJKMVTMQ-AYDFFVQHSA-N 390.440 -0.330 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC)C(=O)O)C2 1793355605 LWRGSMRCJBVNCY-XYFZXANASA-N 383.445 -0.770 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2C(=O)C=CC2=O)CC1 1793611289 INDMNPYGYHQQRJ-FVCICTRLSA-N 386.408 -0.805 30 20 GBED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793728646 KLIBSZZIWMOJFF-DIYOJNKTSA-N 381.282 -0.155 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](O)N2CCOCC2)c1 1798488894 LITUDHPOBJRGJZ-KRXQYRFLSA-N 387.440 -0.211 30 20 GBED CS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1801531877 YERHFNOLGDDUSY-YWVIFJGQSA-N 394.453 -0.476 30 20 GBED Cn1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)n1 1831212748 DIPQVCLOXMRMOV-HXUWFJFHSA-N 386.452 -0.168 30 20 GBED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834761101 QFWUCNANGDKYIX-KSSFIOAISA-N 380.445 -0.339 30 20 GBED CC[C@H](NC)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1834795501 XMWBKMWNSUXMCC-INIZCTEOSA-N 378.473 -0.356 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCOCC1)CCO2 1835397448 MDPWFHSXXGWNDX-FQEVSTJZSA-N 393.484 -0.422 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncon3)CCO2)C1 1838316884 LBOHIXDYQSYGIU-ACJLOTCBSA-N 394.428 -0.287 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)c1 1838736288 VTWWSZHWLQVRAH-HNAYVOBHSA-N 385.424 -0.516 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCOC4)C3)C2)c1 1838742014 MGDNXAPGBCAHCF-DNVCBOLYSA-N 388.424 -0.007 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C)C2)C1 1839174651 PTKIRBPTOURENJ-LJQANCHMSA-N 397.472 -0.486 30 20 GBED CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839682454 WMTUUZZMLJGLMP-GUYCJALGSA-N 383.401 -0.082 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1840842129 PAAJJIQQGUKBMK-INIZCTEOSA-N 388.367 -0.034 30 20 GBED N#Cc1ccc(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 23258311 OMSDFECGYQNZJN-QGZVFWFLSA-N 376.482 -0.021 30 20 GBED Cn1cnc2c1c(=O)n(CC(=O)N(CCC#N)Cc1cccnc1)c(=O)n2C 126973964 YJQZSODUHQLHCK-UHFFFAOYSA-N 381.396 -0.229 30 20 GBED C/N=C(/NCc1nnc(C)n1C)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 261945093 FPAJEMYSSTVQCO-LBPRGKRZSA-N 383.464 -0.153 30 20 GBED COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 264493049 WTMBGRBVTAEMFD-NSHDSACASA-N 396.425 -0.365 30 20 GBED N#Cc1cc(F)c(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c(F)c1 274651583 DNDAQYSDGJAVET-UONOGXRCSA-N 385.392 -0.248 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1cc[nH]n1 276554653 IHAKBMNLGNPEPZ-RYMPHZRMSA-N 388.446 -0.027 30 20 GBED C=CCn1c(=O)/c(=C/c2c(C)cnn2C)s/c1=C(\C#N)C(=O)NCCOC 285142537 LNXZIVZTHLFSPI-BEHLRTARSA-N 387.465 -0.597 30 20 GBED N#Cc1ccc(N2CC[C@H](C(=O)N3CCN(S(N)(=O)=O)CC3)C2)c(F)c1 286318006 ZNWQVNWDFKCIRR-ZDUSSCGKSA-N 381.433 -0.129 30 20 GBED Cc1nsc(N2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)c1C#N 291187910 TVIZZMRBABSKGW-UHFFFAOYSA-N 383.499 -0.298 30 20 GBED C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 297603417 ADMIWJVTCRUZAD-GDBMZVCRSA-N 387.440 -0.400 30 20 GBED CC[C@H](N/C(O)=N/C[C@H]1CCN(S(C)(=O)=O)C1)C(=O)N1CCOCC1 328769609 CGLKCHHJMAKGDW-OLZOCXBDSA-N 376.479 -0.591 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)C(=O)C1(C)C 349475588 NGFHPCIGNVYYNP-LBPRGKRZSA-N 394.519 -0.520 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@H]3CNCCO3)C2=O)cc1 418912071 QVDYSOMSUYEDNU-HZPDHXFCSA-N 385.424 -0.726 30 20 GBED O=C(NCC#Cc1ccccc1)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 419113217 KZCIDUDMIODBOF-GOSISDBHSA-N 382.464 -0.175 30 20 GBED CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443073632 GOSVNEOUXXCOFE-LBPRGKRZSA-N 395.397 -0.518 30 20 GBED C[C@@H](C(=O)N1C[C@H](N(C)CC(=O)OC(C)(C)C)[C@H](O)C1)n1cnc(C#N)n1 487664810 BGZNJYOJGDNTLV-RWMBFGLXSA-N 378.433 -0.444 30 20 GBED N#Cc1ccc(N2CCN(C(=O)c3cn(CCO)c(=O)nc3O)CC2)c(F)c1 497867876 HBRUJXOWVRGCLT-UHFFFAOYSA-N 387.371 -0.086 30 20 GBED N#Cc1ncn(CCNS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)n1 511427336 HWPXUBOBCLAMGU-UHFFFAOYSA-N 396.454 -0.431 30 20 GBED CN1CCN(CCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 512712271 PJDZAJFLJADQBS-UHFFFAOYSA-N 379.486 -0.144 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)CCN(C)C)CC2)c1C#N 557014838 ZEQLBVLYTKXZJG-ZDUSSCGKSA-N 375.477 -0.295 30 20 GBED CNC(=O)c1c(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n[nH]c1C 566769834 WFONCVFAQPZUHW-UHFFFAOYSA-N 376.398 -0.134 30 20 GBED N#CCC1(O)CN(S(=O)(=O)c2cccc(S(=O)(=O)Nc3nc[nH]n3)c2)C1 570107710 ZRTWZGYLRSBCEG-UHFFFAOYSA-N 398.426 -0.745 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1cccc(S(=O)(=O)NC2(C(N)=O)CC2)c1 571894834 MNXZJKSVDKOPRS-JTQLQIEISA-N 386.455 -0.485 30 20 GBED CC(C)c1cc(=NCCn2cnc(C#N)n2)[nH]c(=NCCn2cnc(C#N)n2)[nH]1 588075598 PJKPAHJTKUXCAI-UHFFFAOYSA-N 392.431 -0.406 30 20 GBED COC(=O)[C@H]1C[C@@H](O)CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 592198565 RWUNPWVUWNGZGM-UONOGXRCSA-N 391.428 -0.641 30 20 GBED C[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2ncc(C#N)s2)CO1 594640193 KHMFLDJKGIUWLV-UWVGGRQHSA-N 394.500 0.243 30 20 GBED C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)C[C@@H](CO)O1 595186256 KSFUAQYHXAWBJF-STQMWFEESA-N 378.454 -0.123 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(C(=O)OC)c2)CC1 728589597 IPQKQPBDQGEVBZ-UHFFFAOYSA-N 379.438 -0.471 30 20 GBED C#CCN1CCN(C(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)CC1 744423012 RMOANYMIYDBTSS-UHFFFAOYSA-N 394.497 -0.344 30 20 GBED C[C@H](OC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)N(C)CCC#N 745441493 HBGMNRJBLJFJOW-LEZGYBIHSA-N 377.397 -0.159 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CC(=O)N(C2CC2)C1 752724591 JZHMUVCDXBHKOP-LLVKDONJSA-N 376.438 -0.005 30 20 GBED COC[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(N)=O 760085309 VVXQSVKEFIQXKH-ZDUSSCGKSA-N 396.469 -0.098 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2ccccc2OC)CC1 761038538 WLZTZQYJBRKTFQ-UHFFFAOYSA-N 380.470 -0.603 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(C(=O)C3CC3)CC2)c1=O 780472200 DGRPLZZMCFWAER-UHFFFAOYSA-N 389.456 -0.555 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](CC)S(=O)(=O)[C@H](C)C2)c1=O 808195414 RGSZYAKXSDCJEC-KGLIPLIRSA-N 398.485 -0.601 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2cccc(-c3nn[nH]n3)c2F)CC1 823850984 XBRAWGCTCPCGPC-UHFFFAOYSA-N 379.421 -0.409 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)C2=C(C)N(C)c3nnnn3[C@H]2C)CC1 847445529 AJKDDOWVTVXIJY-AWEZNQCLSA-N 386.460 -0.758 30 20 GBED C#C[C@@H](CC)NS(=O)(=O)c1ccc(S(=O)(=O)N=c2nc[nH]n2C)cc1 848637433 QBBYXPUOAQDEOR-NSHDSACASA-N 383.455 -0.272 30 20 GBED C[S@](=O)CCNS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 848942033 SUEXGONTGVMMMR-QFIPXVFZSA-N 391.496 -0.322 30 20 GBED C/N=C(/NCCN1CCOCC1)NCCN(C)S(=O)(=O)c1cccs1 849105168 FCDMXSKPEYLMFA-UHFFFAOYSA-N 389.547 -0.134 30 20 GBED C#CCn1ccc(CN(CCOC)C(=O)NCCNS(=O)(=O)N(C)C)n1 854108886 NJKGMWUHXBZIAH-UHFFFAOYSA-N 386.478 -0.930 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CC3(CCNCC3)CO2)C1=O 885147967 HBSXNQKMNNLXSB-HUUCEWRRSA-N 378.473 -0.493 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CSCN2C(=O)OCC)CC1 932038055 GAIMIRZLXQQFPM-CQSZACIVSA-N 382.486 -0.199 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](C)C1 949470092 CAYNUZFOYOXQDQ-IATRGZMQSA-N 390.444 -0.679 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CNC(=O)c2cn(C)c(=O)nc2O)C1 994024711 BHTUXXMSLQFFII-BHPKHCPMSA-N 390.440 -0.099 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)Cn2c(O)nnc2O)cn1 999028008 HHJXNUXBPMCJJM-RDBSUJKOSA-N 382.380 -0.373 30 20 GBED O=C(Cn1ncn2nccc2c1=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 1000704678 LIHXLRANSOICST-ILXRZTDVSA-N 380.408 -0.448 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1O 1023913149 CKMLXURRWRNHAS-CRNXPOROSA-N 390.440 -0.052 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CNC(=O)c2ccccc21 1109414612 BJTNQJJLBHOBKC-ZCPGHIKRSA-N 381.436 -0.125 30 20 GBED C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1117550130 RUNISBJJISVTJG-CKEIUWERSA-N 397.483 -0.016 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1323699263 RHJNZYCLHSQMNI-MRXNPFEDSA-N 378.473 -0.702 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(Cc2cc(C)on2)CC1 1323997938 QNMCJSNCLJSKBC-UHFFFAOYSA-N 384.458 -0.656 30 20 GBED C#CCNC(=O)C1CCN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1 1326495761 BXDZOJGXGXUFJQ-AWEZNQCLSA-N 376.388 -0.701 30 20 GBED CNS(=O)(=O)CCNC(=O)C(=O)NCCSCc1ccccc1C#N 1328737533 SZDNPTAZHXEPJJ-UHFFFAOYSA-N 384.483 -0.427 30 20 GBED Cc1cc(NC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)nn1CCC#N 1343349582 GRLXZNIYCQHBCU-AWEZNQCLSA-N 378.433 -0.805 30 20 GBED C#CCOCCC(=O)NC[C@@]1(C)CN(c2cnc(-c3nn[nH]n3)cn2)CCO1 1573288331 UMNMJPHTNITLSG-KRWDZBQOSA-N 386.416 -0.592 30 20 GBED C=CCOCCN1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1573347834 IIOHIHXQCWULHC-KRWDZBQOSA-N 375.433 -0.046 30 20 GBED C#CCCCC(=O)N1C[C@H]2CCN(C(=O)CC(=O)NCc3cnn[nH]3)C[C@H]2C1 1574866825 LJACBTVWXXNDLO-CABCVRRESA-N 386.456 -0.079 30 20 GBED N#Cc1cc(C(=O)N2CC[C@@](O)(CNC(=O)CCOCc3cnn[nH]3)C2)c[nH]1 1577712250 GJDABCLBBDRQRZ-QGZVFWFLSA-N 387.400 -0.695 30 20 GBED C#CCO[C@H](C)C(=O)N1CCCO[C@H](CNc2cnc(-c3nn[nH]n3)cn2)C1 1602726179 QEOLIZWTFMBVEB-CHWSQXEVSA-N 386.416 -0.276 30 20 GBED C[C@H](C#N)C(=O)N1CC[C@H](N2CCN(c3nccnc3-c3nn[nH]n3)CC2)C1 1602982121 OHLSDGCCFWYVHL-OLZOCXBDSA-N 382.432 -0.461 30 20 GBED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCOC2)CCOC1 1728817383 LYHUTQUYZFICHZ-FHLIZLRMSA-N 393.444 -0.190 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778257053 HDLYPJYFUPRGRO-YLJYHZDGSA-N 394.516 -0.345 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1781362541 PCFZYTOUQSATLS-YZVOILCLSA-N 377.441 -0.525 30 20 GBED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)CCO2 1783048713 HCPCRHKMYCSKPL-AUUYWEPGSA-N 395.456 -0.011 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1784349329 AYERMSUUWRYCAD-ORAYPTAESA-N 386.408 -0.568 30 20 GBED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1 1787500606 OKVLRPWWFUJKMU-FGPLHTHASA-N 378.454 -0.598 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCOCC1)C2 1792566358 UBTPCOSACUKDCZ-LJGIQUCRSA-N 390.484 -0.185 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCC(=O)OC 1793359798 GDJSYDZXPBYXLM-ZJOBFFGXSA-N 398.481 -0.480 30 20 GBED CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795601136 UJQIJXOTVOSMKA-DMRZNYOFSA-N 393.488 -0.618 30 20 GBED Cn1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)n1 1797739166 XYNBDDIKRWDYQT-VCRCSVMGSA-N 389.460 -0.510 30 20 GBED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O 1798357632 IDGQGOBNRSOLGT-FQUUOJAGSA-N 387.440 -0.009 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCn1ccnn1 1801390225 CTTPFOWXFGIPDN-PNBKFKSVSA-N 377.445 -0.151 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)Cn2ccnn2)[C@@H]1c1cccnc1 1807694222 XXLQQFJANKIKBV-KSSFIOAISA-N 382.380 -0.533 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCC2(CCCN(C(=O)[C@@H](N)CN)C2)CC1 1810852470 BSJRPRUXXLPUCQ-HNNXBMFYSA-N 378.521 -0.215 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)COCCO)[C@H]1c1cccnc1 1812880635 RNBMUBLDHCKKPI-KDOFPFPSSA-N 375.381 -0.816 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N(C)CC)C2)C1 1831399559 WWBSWPMGNBZCIJ-SQGPQFPESA-N 395.500 -0.179 30 20 GBED Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)n1 1833083838 PZLQHJMQYUWLEP-IBGZPJMESA-N 387.440 -0.048 30 20 GBED CCn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1834417777 SNTHVJRAPHQFEF-GOSISDBHSA-N 390.396 -0.939 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1834763430 HXRBAMWXUVBEDH-SFHVURJKSA-N 388.380 -0.206 30 20 GBED CN(C)C(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835351899 DOAOXDQCCXLMNN-QGZVFWFLSA-N 381.433 -0.982 30 20 GBED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1835363951 HBVOVEOLZAZSQX-SFHVURJKSA-N 389.412 -0.384 30 20 GBED CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839887054 MXPPGYDOAMPYGG-IBGZPJMESA-N 392.456 -0.337 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H](C)N(C)C(C)=O)C2 1841054491 HMLASUMKRLSICZ-DANTVBBOSA-N 376.457 -0.085 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1 1841892053 NFNIOFADWLTFIO-LBPRGKRZSA-N 379.417 -0.458 30 20 GBED Cn1cnc(C/N=C(\O)C(F)(F)C(F)(F)C(=O)NCc2ncn(C)n2)n1 91885673 ZCUVNOPWEHXJFA-UHFFFAOYSA-N 378.290 -0.013 30 20 GBED COCCN(C(=O)CO/N=C(\N)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 267858584 FYBBBZSMMHJUAT-CQSZACIVSA-N 399.469 -0.006 30 20 GBED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 269020516 PVXCENVBQSBMQO-CQSZACIVSA-N 387.444 -0.500 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)C2=O)cc1 277346320 XMBXGCBYSBIZBC-JYJNAYRXSA-N 385.424 -0.009 30 20 GBED Cn1ccnc(N2CCC[C@H](N/C(O)=N/CCN3C(=O)CCC3=O)C2)c1=O 329187816 BGJCIBAVWONVQR-LBPRGKRZSA-N 376.417 -0.598 30 20 GBED NS(=O)(=O)c1ccc(N2CCN(/C(O)=N/[C@@H]3CC[S@](=O)C3)CC2)cc1 329985489 DHSBNDWCOFARIG-YYUOZPCZSA-N 386.499 -0.109 30 20 GBED C[C@@H]1NC(=O)N(CCN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 332314621 UKHUSSIRONIKFJ-ZDUSSCGKSA-N 391.453 -0.195 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)C(=O)C1(C)C 349479306 UNXUVQWIMNKQIF-LBPRGKRZSA-N 394.519 -0.567 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N[C@]2(C#N)CC2(C)C)CC(=O)N1 349506776 UBUCCACCRNOGRA-FZMZJTMJSA-N 392.503 -0.862 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCN(C)C(=O)C1 349597267 CZXBCLLIUTYWFD-GFCCVEGCSA-N 380.492 -0.956 30 20 GBED C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 366125466 NSMGOPDHNVNGNM-ZDUSSCGKSA-N 379.504 -0.203 30 20 GBED CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1 409532163 YZCQXECRHDVNNN-OAHLLOKOSA-N 389.522 -0.374 30 20 GBED C=CCOc1ccccc1CNC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424512247 ZUJKRPJJNMCXIC-AWEZNQCLSA-N 396.421 -0.422 30 20 GBED Cc1cc(NC(=O)C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)nn1CCC#N 441977401 MUIZXWZUPNXDHY-KRWDZBQOSA-N 379.417 0.253 30 20 GBED CN(C)CCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 497502208 YNPPXZKPMJCKEL-UHFFFAOYSA-N 393.513 -0.115 30 20 GBED CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NCC(=O)NCC#N 511024557 BTTDLTBMDUGDAX-UHFFFAOYSA-N 390.443 -0.625 30 20 GBED CO[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 515339696 QOKZYNNSSWBAHY-ZIAGYGMSSA-N 389.455 -0.477 30 20 GBED N#CCNC(=O)CNC(=O)CC1(CC(=O)NCC(=O)NCC#N)CCCCC1 557786000 FMRGXEAJCJHEDE-UHFFFAOYSA-N 390.444 -0.771 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@H](CC(N)=O)C1 588745318 QGBMBSZPKJIYIK-GFCCVEGCSA-N 381.396 0.110 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCc2nnc3n2CCOC3)CC1 589211026 CDWZZLKVVSBWOC-UHFFFAOYSA-N 395.423 -0.355 30 20 GBED C[C@H](O)CN1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1 592792216 DNTVSKLYQKZIEV-KBPBESRZSA-N 380.470 -0.250 30 20 GBED CO[C@@](C)(CO)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 594628279 BSGNLTIUYCKROO-CYBMUJFWSA-N 377.444 -0.836 30 20 GBED N#Cc1ccc(NC(=O)CN2C(=O)N[C@H](CC(=O)N3CCOCC3)C2=O)cc1 603561808 DITUMAZTOAGCFT-CQSZACIVSA-N 385.380 -0.334 30 20 GBED Cn1c(=O)nc(O)c2cc(S(=O)(=O)NC3CCN(CC#N)CC3)cnc21 609334255 HDEIOPSVALXYGB-UHFFFAOYSA-N 378.414 -0.700 30 20 GBED COC(=O)CN(CC(=O)OC)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O 728560054 GEUHMESJSUWPRE-UHFFFAOYSA-N 388.380 -0.072 30 20 GBED C#CCNC(=O)CN1CCN(Cc2nnc3n(C)c(=O)c4ccccc4n23)CC1 728572846 NAYQICULGZDMDF-UHFFFAOYSA-N 393.451 -0.552 30 20 GBED N#CCNC(=O)COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 731235359 PMEZNVLMLRVIML-UHFFFAOYSA-N 395.437 -0.177 30 20 GBED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(CC#N)CC(=O)O)C1 738822867 GGSIKUPAFOMPQV-LBPRGKRZSA-N 383.430 -0.136 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCC[C@@H]2C2OCCO2)c1=O 742148966 CPZBZKUFMGOCDN-CQSZACIVSA-N 378.429 -0.271 30 20 GBED N#Cc1ccc([C@H](OC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)C(N)=O)cc1 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-0.306 30 20 GBED C=CCN(CC=C)C(=O)COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914653207 OYVLYTIDUVAXGK-ZIAGYGMSSA-N 384.454 -0.234 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(N(C)C)nn2)C[C@@H]1O 970701738 BANUDQRPBLWHAB-RZFFKMDDSA-N 375.429 -0.565 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCNC(=O)C2)nc1 998948700 ONGCMCYLEABKRG-PVAVHDDUSA-N 381.436 -0.644 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC=C(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 1017735229 IUCGTVFYSZEUND-FXUDXRNXSA-N 377.441 -0.115 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c(OC)ccnc2O)C[C@H]1O 1025710595 XJFXEVVCZMRBJS-LPWJVIDDSA-N 377.397 -0.312 30 20 GBED C=CCOCC(=O)N[C@]1(CO)CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1055832409 WKJSCHGBIXYVTC-MFWIUYSUSA-N 382.457 -0.290 30 20 GBED N#Cc1ccc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CNC(=O)Cn2cncn2)cn1 1092980198 RTHBSOCAKPRLPV-BMFZPTHFSA-N 380.412 -0.413 30 20 GBED C[C@H](C[S@@](C)=O)NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1117570749 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C=CCCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573337361 WIFQOWISKSDLSJ-NSHDSACASA-N 389.416 -0.521 30 20 GBED C=CCOCC(=O)NC[C@H]1[C@@H]2CN(C(=O)[C@@H]3CCCN3Cc3cnn[nH]3)C[C@H]12 1575110423 PETZVZKYJDCOTJ-NXOAAHMSSA-N 388.472 -0.208 30 20 GBED N#CCSCC(=O)NC1CN(C(=O)C2(Cc3cnn[nH]3)CCOCC2)C1 1577710339 YFXLJWYVDQIRLL-UHFFFAOYSA-N 378.458 -0.272 30 20 GBED N#Cc1ccc(N2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cn1 1581871044 DTNSHDHMSUVTBA-KRWDZBQOSA-N 379.384 -0.167 30 20 GBED N#Cc1nccnc1N1CCO[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1581885786 MTOXKDJDENHREM-SNVBAGLBSA-N 380.372 -0.508 30 20 GBED C#Cc1cncc(C(=O)NC[C@@H]2CN(c3nccnc3-c3nn[nH]n3)CCO2)c1 1588380540 HAFMIRYWKCOTJP-CQSZACIVSA-N 391.395 -0.332 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588404292 GXUISXVRRCLYMM-CQSZACIVSA-N 388.432 -0.098 30 20 GBED C=CCNC(=O)[C@H](C)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588657749 VUFDCKBZLFRTMU-RYUDHWBXSA-N 390.448 -0.750 30 20 GBED N#C[C@]12CN(C(=O)Nc3nc4n(c3C(=O)O)CCC4)C[C@H]1CS(=O)(=O)C2 1601079444 DEKNRKYIMMTPGX-BJOHPYRUSA-N 379.398 -0.070 30 20 GBED C=C[C@](C)(O)CC(=O)NC1(CO)CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 1602793731 OBROTGJZNNPLCX-INIZCTEOSA-N 388.432 -0.569 30 20 GBED CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)N1CCO[C@H](C#N)C1 1622617828 SBXIDKMERFQENV-JHJVBQTASA-N 390.462 -0.321 30 20 GBED CN(C)C(=O)c1c[nH]nc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1644426790 NBWUJYKZEOOPSM-UHFFFAOYSA-N 376.398 -0.211 30 20 GBED CC(C)(CNS(=O)(=O)N1CCO[C@@H](C#N)C1)[C@H]1COCC12OCCO2 1663801325 MCFPGGXEAXZVLA-QWHCGFSZSA-N 375.447 -0.539 30 20 GBED CCOC1CC(O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)C1 1710605221 VEZLCMYYBUWGMP-HPGRBHQUSA-N 390.444 -0.112 30 20 GBED Cn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cn1 1769015711 IPMJBSIDIKLEED-KBPBESRZSA-N 391.457 -0.309 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCO[C@@H](CN(CC(=O)O)C(C)=O)C1 1776857420 IEDBOKKZRADTLW-OCCSQVGLSA-N 390.462 -0.653 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1)CCO2 1781267684 XLAAHTIFOAANDB-IFXJQAMLSA-N 393.440 -0.396 30 20 GBED N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccc(O)nn2)C1 1781492218 XVWCOSOCWNJCBH-FZKQIMNGSA-N 389.412 -0.011 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4ccnn4c3)C2)C1 1782409316 ZXAZDEOHHQRLGG-LJQANCHMSA-N 382.376 -0.134 30 20 GBED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1783895783 TXYFQCXTTUPHKC-SLEUVZQESA-N 376.500 -0.288 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1784500878 AQGAAGCSSGWJPF-QPSCCSFWSA-N 388.486 -0.398 30 20 GBED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)n1cnnn1 1784598226 QORVOEVSLNFZFM-SJCJKPOMSA-N 384.400 -0.422 30 20 GBED CN(C)C(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785362065 OJTOKZDCWGCUCU-SFHVURJKSA-N 377.445 -0.219 30 20 GBED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncon3)C[C@@H]21 1786859149 PDVYBBJWIKQYJC-IHRRRGAJSA-N 390.444 -0.055 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)NCC(C)C)C2 1793355555 KSCPFJXLWKEAST-JONQDZQNSA-N 381.473 -0.061 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1nc(C)no1 1795813671 DUVVGPIBMJOWQK-DPYKFYPSSA-N 376.413 -0.452 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CNC3=O)C2 1800777293 ORWUIAXAKZBAHA-ZSBFGKGUSA-N 397.387 -0.779 30 20 GBED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)C=CC1=O 1801120906 KSKROVFCAZZATK-ZUMXRPEOSA-N 375.425 -0.287 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)OC 1801203588 VDCQYIVMHVOHNB-XFMPKHEZSA-N 383.445 -0.495 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN(C)C(=O)C(=O)O 1801328080 NFMNDHXCPZQPSQ-FQUUOJAGSA-N 381.429 -0.241 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806638656 CADMFNQSUWYYPJ-QWQRMKEZSA-N 384.392 -0.546 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)CN2CCCC2=O)[C@H]1c1cccnc1 1812876609 QLSANHHXAYNEAA-YWZLYKJASA-N 398.419 -0.202 30 20 GBED C#CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN(CCO)CCO)CC2 1828099205 TXZVXOYKKTZKEY-CYBMUJFWSA-N 394.497 -0.245 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)OC)C2)C1 1831388567 UTMKJOCAEKLFLE-KXBFYZLASA-N 382.457 -0.094 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCNC)C2)C1 1831393985 SWNOKVTXQIBKSU-LPHOPBHVSA-N 381.473 -0.519 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC=O)CCO2)C1 1839163876 KJDCYHSUUORQBF-DOXZYTNZSA-N 397.472 -0.850 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@@H]3C=CS[C@@H]13)CCO2 1839700112 GBZDRYPHFKXVCJ-UOQGXUADSA-N 392.433 -0.594 30 20 GBED COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)nn1 1840161904 FHQLLXWDABLPSS-PXAZEXFGSA-N 396.469 -0.127 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840318817 BWRRHIYGPYXFSE-RDTXWAMCSA-N 399.444 -0.610 30 20 GBED C[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1(F)F 1840829876 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20 GBED C[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N 349478559 HGTMIURRXNHNOZ-NSHDSACASA-N 386.455 -0.660 30 20 GBED Cn1nccc1NS(=O)(=O)CCCS(=O)(=O)N1CC[C@](F)(C#N)C1 349500174 PRPATUVYMCXEEE-LBPRGKRZSA-N 379.439 -0.181 30 20 GBED C[C@@H](C#N)S(=O)(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 416377048 WTFDHNISVIAZON-UPJWGTAASA-N 380.492 -0.800 30 20 GBED CC1(C)CN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C[C@H](CO)O1 422105115 JQMPTTOIOMHADL-HUUCEWRRSA-N 388.424 -0.069 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 425242233 WHBVRPZOMDDBAH-LLVKDONJSA-N 376.464 -0.948 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 430403660 UZUOERNGEKALKF-INMHGKMJSA-N 392.500 -0.105 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCn2c(O)nnc2C1 438454308 KJNFKFBLSUQRCX-SNVBAGLBSA-N 376.398 -0.435 30 20 GBED CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)n1 442242382 SJGYUAKQZVHWGG-UHFFFAOYSA-N 396.407 0.071 30 20 GBED C=C(C)COCCNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 474815554 ZMNGRPOHCBLBAF-UHFFFAOYSA-N 390.506 -0.080 30 20 GBED C=CCOC[C@H](NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)OC 481749328 MPYQCDWHVQSORE-SIJPQNPESA-N 380.397 -0.601 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C(F)(F)F)[C@H](CO)C2)C1=O 553350451 QOMNENAPNAWGSM-UWVGGRQHSA-N 377.319 -0.018 30 20 GBED Cc1c(C(=O)NCC(=O)NCC#N)cc(Br)cc1S(N)(=O)=O 553766084 UYMZUJLYDGHXHX-UHFFFAOYSA-N 389.231 -0.226 30 20 GBED CS(=O)(=O)N1CC[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 573255143 MKFUVBFVEQNTSN-AWEZNQCLSA-N 385.467 -0.377 30 20 GBED COCCN1CC[C@@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 573373167 OQDRSGHYMMBUCJ-CYBMUJFWSA-N 383.412 -0.086 30 20 GBED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NC2CCN(CC#N)CC2)CC1 609335615 SCMKRHCNWULMDW-MRXNPFEDSA-N 394.520 -0.157 30 20 GBED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccncc2)c1=O 758058354 KRFZMZMEUVENSH-UHFFFAOYSA-N 380.429 -0.700 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NC2CC2)c1 769727350 RJPSYQMHUGVXLJ-UHFFFAOYSA-N 380.382 -0.632 30 20 GBED N#Cc1ccc(NCCNC(=O)C(=O)NCCNC(=O)c2cccnc2)nc1 787622127 KHOYHBDONYLTCQ-UHFFFAOYSA-N 381.396 -0.577 30 20 GBED C#Cc1cncc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 798281421 LGUFDICHULFLLB-HNNXBMFYSA-N 397.478 -0.662 30 20 GBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O)[C@@H]1CCCO1 808229466 BLCRZQQUTUIQMN-TUAOUCFPSA-N 375.347 -0.047 30 20 GBED CC#CCS(=O)(=O)NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 810774684 MQHGWDCJISPAOC-UHFFFAOYSA-N 379.442 -0.625 30 20 GBED N#Cc1ccc(S(=O)(=O)CCNCCS(=O)(=O)N2CCOCC2)cc1 818989730 SBIRRQZMUYHEJV-UHFFFAOYSA-N 387.483 -0.416 30 20 GBED CN1C(=O)CC[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 819727194 WASAAXRZNMZMEN-NSHDSACASA-N 378.410 -0.621 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCC2(C)OCCO2)cc1 848941250 KIUVXPJFSGZTPX-NSHDSACASA-N 389.455 -0.082 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CCCN2CCN(C(C)C)CC2)CC1 900560855 KWLLMQYQYXQSQV-UHFFFAOYSA-N 377.533 -0.314 30 20 GBED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCCN1C(=O)CNC1=O 914615772 SGXOUVUOMOJTKE-UHFFFAOYSA-N 394.409 -0.400 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 981448160 OSRRDRWESHGWIH-RCJHGTSTSA-N 392.500 -0.200 30 20 GBED Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C#N)[nH]2)c(O)nc1=O 1002771318 JAXDEIHOJHTGFC-HONMWMINSA-N 382.380 -0.139 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cc(C)nn2C)C[C@H]1O 1023942118 MBIMDHNECJYVRU-LHHMISFZSA-N 376.457 -0.060 30 20 GBED Cc1nsc(N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)c1C#N 1039622254 PYQAADILLRSLNM-DNIRFERGSA-N 386.441 -0.100 30 20 GBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ccc(O)nc1=O 1109491049 DTAQMXUGQOHNRY-MQYQWHSLSA-N 375.429 -0.639 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1109714229 CMHDKPOBOXVVGO-CWVYHPPDSA-N 376.457 -0.907 30 20 GBED C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H](C)O1 1142372028 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C=CCOCCCC(=O)N1CCO[C@H](CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1573347314 BTEPCLMSYKEECC-CYBMUJFWSA-N 388.432 -0.299 30 20 GBED C[C@H](C#N)C(=O)N1C[C@@H](N=c2cc[nH]cc2-c2nn[nH]n2)[C@H](c2cnn(C)c2)C1 1573571022 WYGKOPUVOBWZFN-DIOULYMOSA-N 392.427 -0.017 30 20 GBED C=CCNC(=O)CN1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H]2CCNC2=O)CC1 1575104392 QCFVCIKVCQGKSS-OAHLLOKOSA-N 389.460 -0.964 30 20 GBED CCO[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1CNC(=O)[C@H](C)C#N 1578382012 NNIKELIBIFDYJW-MPKXVKKWSA-N 386.416 -0.052 30 20 GBED CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1579863505 GUPDVDCWIJDXNR-CHWSQXEVSA-N 380.372 -0.510 30 20 GBED O=C(C#CC1CC1)NCCCN1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 1581912612 RFGPRFJJTZSJCP-UHFFFAOYSA-N 381.444 -0.302 30 20 GBED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cnn(-c2ncccc2-c2nn[nH]n2)c1 1588545901 QUIJESZCYCCEFQ-JTQLQIEISA-N 383.372 -0.561 30 20 GBED COc1cc(C(=O)N2CC(n3cc(-c4nn[nH]n4)c(O)nc3=O)C2)ccc1C#N 1591511660 SSRFXFDPWXNUPL-UHFFFAOYSA-N 394.351 -0.294 30 20 GBED N#Cc1nc(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)[nH]c1-c1nn[nH]n1 1592683730 YAMYXOKFSPYCJN-VIFPVBQESA-N 378.356 -0.156 30 20 GBED N#Cc1ccc(S(=O)(=O)NCCN2CCC3(C2)OCCO3)c(C(=O)O)c1 1601112079 SRRKKJOAGXJLJH-UHFFFAOYSA-N 381.410 -0.016 30 20 GBED C#CCO[C@H](C)C(=O)NCC1[C@@H]2CN(c3nc(C)cc(-c4nn[nH]n4)n3)C[C@@H]12 1602724336 CSWNEADADHBCDX-XBFCOCLRSA-N 382.428 -0.198 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O 1602731801 FLOJJWGKZOFGQY-UHFFFAOYSA-N 385.315 -0.081 30 20 GBED C=CCOCCCC(=O)NC[C@@H]1COCCN1c1cnc(-c2nn[nH]n2)cn1 1602870963 NKDNUWWGTLWWFM-CYBMUJFWSA-N 388.432 -0.039 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)N1CCN(C)CC1 1640818316 UZNMXTQFWWIKJG-CYBMUJFWSA-N 393.469 -0.885 30 20 GBED CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)N1CCOCC1 1723590485 IVECWXKVKVZSCK-QGZVFWFLSA-N 393.423 -0.283 30 20 GBED NC[C@H](N)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccccc1)C2 1777997765 GOYKUAUWSAZVIX-WAOWUJCRSA-N 384.480 -0.162 30 20 GBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)C1 1778085063 QXOQIIDEBSILDH-LSIMKLPESA-N 392.481 -0.064 30 20 GBED Cn1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1779016516 ZRTSCGFZLGQXCE-JLWFYQMASA-N 389.460 -0.270 30 20 GBED C[C@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779140233 VPAKCLWTOLDTHL-SENNIOROSA-N 376.413 -0.337 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780334319 JSDQVQPPHNPKED-FZKQIMNGSA-N 388.428 -0.223 30 20 GBED C=C(C(=O)N1CC[C@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1)C(F)(F)F 1783202021 BZZHZHONIWLKJW-ABAIWWIYSA-N 393.362 -0.003 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c1 1784037267 COUPEUUCTZSZFJ-IFXJQAMLSA-N 385.424 -0.144 30 20 GBED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCNC4=O)C[C@@H]21 1786364149 DDHWNKRFNWLITP-HUBLWGQQSA-N 386.412 -0.867 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]2C1 1791261878 ICHUMVYQNIVDMJ-DKKFBCOVSA-N 389.474 -0.651 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCOC1=O 1793163529 KJETWQSMBOHLJM-HLPPOEQASA-N 395.456 -0.399 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC)C(=O)O)C2 1793355604 LWRGSMRCJBVNCY-USRAEIGSSA-N 383.445 -0.770 30 20 GBED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2 1793565668 CZSZTWGHKPJQTI-FQUUOJAGSA-N 398.423 -0.292 30 20 GBED COCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1795355427 CIABBMOKCDUIIT-DYYLVRDHSA-N 396.488 -0.289 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3)C2)C1 1831393579 YJNVPMWYZDSYDD-KBXCAEBGSA-N 377.397 -0.217 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)[nH]n3)C2)C1 1831397243 PWEZHRDXYYYFRS-BEFAXECRSA-N 390.440 -0.174 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCO)C2)C1 1831492176 KEFDOXNFTYMHDD-NVXWUHKLSA-N 390.502 -0.594 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1832458653 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396.465 -0.326 30 20 GBED Cc1cc2nnc(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)c(C)n2n1 1846195693 SWLVTTJSCUBBMX-UHFFFAOYSA-N 382.380 -0.354 30 20 GBED CC(=O)N[C@@H]1CCCN(C(=O)CN2CCN(c3nccnc3C#N)C[C@@H]2C)C1 268268806 GVKKIOIWDMYPFA-GOEBONIOSA-N 385.472 -0.014 30 20 GBED CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CC(=O)NC1=O 268821416 SDZAWOVENVNVOA-GXFFZTMASA-N 378.410 -0.511 30 20 GBED CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 271552003 BHHOJDFWYXLWQC-UHFFFAOYSA-N 384.462 -0.108 30 20 GBED C=CCS(=O)(=O)CCNC(=O)NCCCN1CCN(c2ncccn2)CC1 272856391 PRTQMBZLPNXQNT-UHFFFAOYSA-N 396.517 -0.111 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(S(N)(=O)=O)cc2C)C1=O 277994570 CSOOZBXQFMWWPB-UHFFFAOYSA-N 394.409 -0.765 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCN(c2nccn2C)CC1)c1cc[nH]n1 278816103 UFQXXUJGZKBCQI-RCCKNPSSSA-N 389.416 -0.224 30 20 GBED COCCN(C)CCCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 284258290 RTBZGARSICSRAI-UHFFFAOYSA-N 388.472 -0.314 30 20 GBED COC(=O)c1cn(CCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)nn1 291487562 GGWLWVKYILKIOC-UHFFFAOYSA-N 392.397 -0.969 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@]3(C2)NC(=O)NC3=O)CC1 333175420 QXGSZWZVLNLRAE-KBXCAEBGSA-N 376.461 -0.647 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 431604223 MKPVDUFVIJRFCT-CYBMUJFWSA-N 377.426 -0.272 30 20 GBED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C#N)s2)c1=O 482567591 RSGNCAHVUTXSFA-UHFFFAOYSA-N 386.458 -0.258 30 20 GBED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)N(CCC)CCC)CC1 488173008 TZDJEIBWGQAHSJ-UHFFFAOYSA-N 389.522 -0.017 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)O)c(F)c1 548245561 VEPZHYXSNNFHBI-SNVBAGLBSA-N 376.387 -0.040 30 20 GBED CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)O1 562178260 DLUWXLOIXOABMD-DZGCQCFKSA-N 394.453 -0.411 30 20 GBED CC(CO)(CO)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 568035877 PKPSVFLAEWYNQS-UHFFFAOYSA-N 377.788 0.195 30 20 GBED CS(=O)(=O)[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 573737987 VHAGQWWGSWPSTP-CQSZACIVSA-N 385.467 -0.128 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ncn(C)n2)cc1 584851405 WXTVWWMAGFPEBY-UHFFFAOYSA-N 398.470 -0.172 30 20 GBED Cc1cc(NCCn2cnc(C#N)n2)c(C#N)c(NCCn2cnc(C#N)n2)n1 596229628 OCBQQHMGZGPTNI-UHFFFAOYSA-N 388.399 0.412 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1 598174877 HYDFQFOYWDOERY-UKRRQHHQSA-N 376.438 -0.036 30 20 GBED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 603873344 TWUDQXZKVSTJAC-UHFFFAOYSA-N 398.427 -0.434 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC2(C#N)CCCCC2)C1=O 726042406 IJACVBGNTDLZJU-UHFFFAOYSA-N 376.369 -0.151 30 20 GBED C[C@@H](CN1CCN(C)CC1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 730227396 DGWVTSSVTCTFPW-AWEZNQCLSA-N 393.513 -0.133 30 20 GBED N#CCNC(=O)COC(=O)CNS(=O)(=O)c1ccc(Br)s1 731246234 XCHOKJJOFDJFGD-UHFFFAOYSA-N 396.244 -0.028 30 20 GBED C#CCNC(=O)CN1CCN(C[C@H](O)Cn2c(-c3ccccc3)noc2=O)CC1 731531536 CNUSULNMXNPGDJ-KRWDZBQOSA-N 399.451 -0.769 30 20 GBED CN(C(=O)COC(=O)c1ccc(S(=O)(=O)NCCO)s1)C(C)(C)C#N 745151807 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C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1ccon1)[C@H]1CCCO1 848963273 OGADQEHBNBBLCI-VXGBXAGGSA-N 377.444 -0.093 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C1CN(C(C)=O)C1 960299205 MYYJGDQAWQKXBT-LTIDMASMSA-N 377.441 -0.506 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cn1ncnn1 960432796 XKDUFSZPINCXSJ-CBBWQLFWSA-N 376.417 -0.908 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1nnn(C)n1 960769976 MTPKKGOMDZATMN-FQUUOJAGSA-N 376.417 -0.757 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2ccc(C)cc2=O)C1 963210048 ADSRDNHKBCDAEU-NCOADZHNSA-N 389.452 -0.174 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnn(C)c2OC)C[C@@H]1O 964610509 GAYGHCIFZMESMG-RZFFKMDDSA-N 378.429 -0.289 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 967215503 IIWBVKISIHKLOD-YVSFHVDLSA-N 390.484 -0.556 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn3c(n2)COCC3)C[C@@H]1O 970711452 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N#Cc1cn(CC(=O)NCc2cc(F)c(-c3nn[nH]n3)c(F)c2)c(=O)nc1O 1581876862 JZKUDGXCNHFAOE-UHFFFAOYSA-N 388.294 -0.405 30 20 GBED N#CCSCC(=O)NCCN1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1592679196 IRHRLMXCOQGPNV-UHFFFAOYSA-N 387.473 -0.243 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1602721215 ALPMZHQNLFDUMH-WFASDCNBSA-N 382.428 -0.377 30 20 GBED C=CCCO[C@H](C)C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 1602840694 COVXCNSSSLFDQC-OLZOCXBDSA-N 388.432 -0.041 30 20 GBED N#Cc1cn(CC(=O)NC[C@H](O)COc2ccc(F)c(F)c2)c(=O)nc1O 1635686288 UKITVTDFEIFXAE-JTQLQIEISA-N 380.307 -0.345 30 20 GBED C=CCCn1cc(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)nn1 1756524686 BNUKQZFGAYRHSD-RZLSGREXSA-N 377.445 -0.124 30 20 GBED Cn1nc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c2c1CCC2 1783561619 CAVPLAGBOJJWOK-IBGZPJMESA-N 386.408 -0.560 30 20 GBED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785366918 QHFIUBAQPTUCGQ-BEFAXECRSA-N 392.456 -0.339 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1789292729 KOAXQDWKORKAHM-HOSILWTGSA-N 388.424 -0.599 30 20 GBED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N3CCN(C)CC3)C[C@@H]21 1791263768 MUQLNUQGHYYJFN-WOYTXXSLSA-N 398.573 -0.080 30 20 GBED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1791439353 WXTOMZJYCBMZTG-ULQDDVLXSA-N 389.500 0.000 30 20 GBED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1)N1CCN(C)CC1 1793261513 PPGINQIOFMKNPX-PHXBYCTMSA-N 388.512 -0.375 30 20 GBED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2 1793818312 DJANTSQFTPINHS-YWVIFJGQSA-N 383.470 -0.053 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCCC2=O)c1 1795449687 LYBVDNMAOJHQOW-ZSBFGKGUSA-N 385.424 -0.288 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]nnc1C 1795976505 WSYOABQXDYPIFS-LXBXGBMDSA-N 388.428 -0.825 30 20 GBED Cc1nscc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1833749603 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CC(C)NS(=O)(=O)CC/N=C(/O)N1CCC(C(=O)N2CCOCC2)CC1 330620917 LGRIDMRGJUBMGQ-UHFFFAOYSA-N 390.506 -0.201 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N[C@H](C#N)C(C)(C)C)CC(=O)N1 349498951 JSUDGTYOCRKFGP-VXGBXAGGSA-N 394.519 -0.616 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCCNS(=O)(=O)c1cccnc1 409522387 YJLHQKMGRNBEKP-UHFFFAOYSA-N 391.475 -0.944 30 20 GBED CCCS(=O)(=O)NC1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1 409565314 KBMMONUPPRRBFU-UHFFFAOYSA-N 396.535 -0.113 30 20 GBED CCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 410153966 KQIHBODTDOVETO-UHFFFAOYSA-N 396.535 -0.161 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1 421247171 FZUWOEAZDZFXFR-CQSZACIVSA-N 398.423 0.384 30 20 GBED COCC(=O)NC1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 476069467 AVBFZMPPDVPJIW-UHFFFAOYSA-N 380.426 -0.848 30 20 GBED COCCN1CC[C@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 491535045 XWPNOYCBAPPLAF-INIZCTEOSA-N 397.439 -0.027 30 20 GBED CCn1c(N)c(C(=O)CN(CCC#N)CCN2CCOCC2)c(O)nc1=O 533309862 UYYPFSUGAKDSIR-UHFFFAOYSA-N 378.433 -0.718 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 535227622 ZZRIMRXYVORZDR-ZWNOBZJWSA-N 386.455 -0.886 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(=O)O)C[C@@H]2C(N)=O)c1 548250590 QMEBVVVMQMHFFJ-GXTWGEPZSA-N 395.437 -0.058 30 20 GBED CN1CC[C@@H](N(C)S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1=O 572617144 SXXQFAZKGUPEKI-CYBMUJFWSA-N 386.455 -0.660 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCCS2(=O)=O)c1 573145610 MJWQVDAVBJWHQL-AWEZNQCLSA-N 385.467 -0.080 30 20 GBED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 590986067 OYRXLVJRLPCDFO-OAHLLOKOSA-N 383.452 -0.061 30 20 GBED COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCO[C@H](C#N)C2)cc1 611642925 BJMWQXDLQXREHL-XPKDYRNWSA-N 395.437 -0.430 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)NCC2CC2)CC1 616017396 KECIETUFYUEQHW-UHFFFAOYSA-N 376.438 -0.083 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccccc2S(=O)(=O)CC)CC1 728532644 GFEXMJHNSBYYGC-UHFFFAOYSA-N 377.466 -0.013 30 20 GBED CC(C)(C)OC(=O)NCCOCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[nH]1 735636307 STJGXCPWCQYURB-UHFFFAOYSA-N 377.365 -0.059 30 20 GBED N#Cc1ccc([C@H](OC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C(N)=O)cc1 745477966 JXGPGCAYHYXONP-WOOFSFRISA-N 383.360 -0.210 30 20 GBED C[C@H](CC(=O)N1CCN2C(=O)NC[C@H]2C1)/N=C1/NS(=O)(=O)c2ccccc21 752752737 NFMLEVISAJNVIG-NEPJUHHUSA-N 391.453 -0.260 30 20 GBED C#CCN1CCN(C(=O)CN2CC[S@](=O)C[C@@H]2c2cnn(CC)c2)CC1 753810306 IWQWJRPPPVZVGO-QUGAMOGWSA-N 377.514 -0.214 30 20 GBED CCNC(=O)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767677754 AKPJIGVGRCIEOI-JTQLQIEISA-N 382.398 -0.386 30 20 GBED COc1cc(O)c(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OC 768367291 OVYBBQVEDNOCFU-UHFFFAOYSA-N 398.397 -0.881 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)[C@@H]1CCCO1 773800368 UDVDFOZWQMMPQR-GJZGRUSLSA-N 379.438 -0.029 30 20 GBED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 785211179 KEBZJORXPJYSTQ-NWDGAFQWSA-N 385.380 -0.915 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 785663749 YLHAXQBUYZOYAI-KBPBESRZSA-N 396.444 -0.889 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@]3(CCO[C@H]3C)C2)c1=O 794666028 MIOAZZDUKPSWBY-KBXCAEBGSA-N 378.429 -0.619 30 20 GBED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(=O)O)c2)c(=O)n1C 820730125 KAQCYDQHZSSLJU-UHFFFAOYSA-N 387.417 -0.589 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccncc2)CC1 831579947 RRLSYINVIBGRRL-CVEARBPZSA-N 378.454 -0.229 30 20 GBED C[C@@](C#N)(NC(=O)CN1CCN(S(=O)(=O)N=S(C)(C)=O)CC1)C1CC1 846981653 VJNAIAFSDYSXBF-AWEZNQCLSA-N 391.519 -0.615 30 20 GBED C#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCCN(C)CC1 848962121 JTGSFWCKAMCXEO-UHFFFAOYSA-N 376.504 -0.868 30 20 GBED C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1)C1CCOCC1 852901102 AUHXIDMGDHCQQN-GFCCVEGCSA-N 391.475 -0.716 30 20 GBED CNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918245953 RFRJWJQSNVPIFI-DEDYPNTBSA-N 395.441 -0.700 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ncccc2NC(C)=O)C[C@@H]1O 970711716 LBQHQHOECONPLD-OJLVUWQFSA-N 388.424 -0.067 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2nc[nH]n2)[C@H](c2cncn2C)C1 993634010 GFDGDDWEIDRWAV-BHPKHCPMSA-N 385.428 -0.146 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCNC(=O)C1 999123242 PCLMWOMKWKYLMF-NRKLIOEPSA-N 390.484 -0.353 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nn3c(c2C)OCCC3)C1 1024212075 KNEBCYPBHDOOEA-TUVASFSCSA-N 390.440 -0.133 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc(S(C)(=O)=O)o2)C[C@@H]1O 1083789905 DNSGCQKWXMBKGY-KBXIAJHMSA-N 384.454 -0.065 30 20 GBED C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3NCC(=O)NCC#N)CC2)CCN1C 1131500435 WCSLDONOSOJOIJ-MYZZLAAOSA-N 391.516 -0.048 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCN(C)S(C)(=O)=O)C[C@H]1OC 1213557563 QAGLRBZIUOUMCU-JJXSEGSLSA-N 389.518 -0.326 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)nn1 1261447835 HRPUUZOORUZJJF-JURCDPSOSA-N 398.423 -0.996 30 20 GBED CC[C@@H](C#N)Oc1cccc(CNC(=O)C(=O)NCCS(=O)(=O)NC)c1 1322728522 ZBXIALWCHRRMKY-ZDUSSCGKSA-N 382.442 -0.351 30 20 GBED CC(C)[C@@H]1C[C@H](NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCO1 1328816760 PFOKQIXPABDRNH-OBWZAWMFSA-N 378.429 -0.051 30 20 GBED CCOC[C@H]1CCCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1328818964 YJZRUNQBDXZFNC-PVEMMZBWSA-N 378.429 -0.096 30 20 GBED CCn1nccc1C=c1sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c1=O 1335591172 RQMFXRIBXDQGNP-UHFFFAOYSA-N 377.451 -0.803 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1349227342 ICZBYPLYASFGBB-JXFKEZNVSA-N 395.419 -0.348 30 20 GBED COc1cccc([S@](=O)CC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 1356118663 MYAXPFUOEHWAFH-DLUDVSRJSA-N 398.462 -0.231 30 20 GBED N#Cc1cn(CC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c(=O)nc1O 1445877312 IHZLXVYTBULTKG-RDJZCZTQSA-N 397.435 -0.180 30 20 GBED C#CCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)C1CCN(Cc2cnn[nH]2)CC1 1574986171 UHJIOHYTOOTCFR-ZIAGYGMSSA-N 375.477 -0.751 30 20 GBED CCC1(NCC(=O)NCC#N)CCN(C(=O)CCOCc2cnn[nH]2)CC1 1576306629 YSXRATHIOQGCOP-UHFFFAOYSA-N 377.449 -0.288 30 20 GBED CCN(CCC#N)C(=O)CN[C@H]1CCN(C(=O)[C@@H](C)OCc2cnn[nH]2)C1 1576521682 GCHUNSMHWRFBAY-KGLIPLIRSA-N 377.449 -0.338 30 20 GBED C#CC1(O)CN(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 1588333325 MAQDPZLRDYTRCL-CQSZACIVSA-N 381.396 -0.248 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1c1ncc(-c2nn[nH]n2)cc1F 1588357475 MKOSKDBGEWIOJX-AAEUAGOBSA-N 389.391 -0.240 30 20 GBED C=CCn1cc(C(=O)NCC2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)nn1 1588713690 PXLJOIQYHHTMQY-UHFFFAOYSA-N 382.388 -0.335 30 20 GBED Cc1nc(N2CC[C@H](NC(=O)CSCC#N)[C@H](O)C2)ccc1-c1nn[nH]n1 1592369578 QEBLFVZNEKYPSH-QWHCGFSZSA-N 388.457 -0.117 30 20 GBED O=C(CC#Cc1ccccc1)NC[C@@H](CO)N=c1cc[nH]c(-c2nn[nH]n2)n1 1592803431 WATHESVDPWTIBE-AWEZNQCLSA-N 378.396 -0.591 30 20 GBED C=CCOCCCC(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 1602872406 ZSHOIEJQLSBLCR-ZDUSSCGKSA-N 388.432 -0.039 30 20 GBED N#Cc1ccc(SCC(=O)NCCn2cc(-c3nn[nH]n3)c(O)nc2=O)cc1 1606380879 GAAQGGPURFFVGB-UHFFFAOYSA-N 398.408 -0.091 30 20 GBED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC)CCOC1 1696089171 LEOTWORQONJXNF-DYVFJYSZSA-N 378.433 -0.205 30 20 GBED CC(C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1741690379 QIODZJFWISASSD-QWHCGFSZSA-N 375.433 -0.127 30 20 GBED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)N1CCN(C)CC1 1781093304 BXNJTSXIXANZAZ-QFBILLFUSA-N 377.489 -0.244 30 20 GBED CCS(=O)(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)S)C2)C1 1783886387 PAQLYXZRKAPGBT-TYNCELHUSA-N 393.531 -0.538 30 20 GBED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNCP(=O)(O)O)CCO2 1783904119 NHKXRJUWTSXGCO-MRXNPFEDSA-N 387.373 -0.655 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21 1784478275 YGWZGNBMSQNKIB-QTVXIADOSA-N 379.413 -0.887 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(=O)OCC)CC1)C2 1793348073 ZCZWZSPACKTXPW-LVQVYYBASA-N 392.452 -0.042 30 20 GBED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCNC1=N)C2 1796045445 XSKRKLLOTPINBI-QDMKHBRRSA-N 389.504 -0.254 30 20 GBED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1797785609 TWGLTKPPWXDDKS-IVSAIRAKSA-N 395.412 -0.625 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3n[nH]cc3c1)C2 1800776211 XATRAMZGEZSUHV-ZSBFGKGUSA-N 382.376 -0.146 30 20 GBED COC(=O)NCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822203575 FDLUJIPPYULYIN-LLVKDONJSA-N 377.357 -0.154 30 20 GBED CN1C(=O)CC[C@H]1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1823053865 CQCVKAWYDYZXGW-ONGXEEELSA-N 390.421 -0.236 30 20 GBED COC[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833530745 ODSOBMIWWHVIMX-CQSZACIVSA-N 379.457 -0.072 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834230052 IJPSQRWJFPMHFU-DNVCBOLYSA-N 390.440 -0.472 30 20 GBED Cc1cc(C)n(CC(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)n1 1834756164 MRNOVXWXMJRQGW-SFHVURJKSA-N 375.429 -0.130 30 20 GBED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)nn1 1834763672 QNTXTHUOXSLKCJ-QGZVFWFLSA-N 375.385 -0.531 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1840841853 ZDUIYOCAJVMHBB-AZUAARDMSA-N 386.452 -0.049 30 20 GBED CCOC(=O)N1CCN(C(=O)Cn2cc(C(=O)OC)cc(C#N)c2=O)CC1 31805372 VLKLKMSTNVEBNP-UHFFFAOYSA-N 376.369 -0.193 30 20 GBED COc1ccc(S(=O)(=O)N2CCO[C@H](C#N)C2)cc1[C@]1(C)NC(=O)NC1=O 264405807 RSMUKKIILMGMMN-HWPZZCPQSA-N 394.409 -0.337 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N(CC)[C@H]1CCS(=O)(=O)C1)c1cc[nH]n1 276734785 UHSGLLXOVJUWPJ-KEVMXDQOSA-N 386.430 -0.271 30 20 GBED CN1CCN(C(=O)c2cc(N/C(O)=N/CCN3C(=O)CCC3=O)ccn2)CC1 329308333 ZREURACBTWEOQC-UHFFFAOYSA-N 388.428 -0.056 30 20 GBED C[C@H](/N=C(/O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)[C@@H]1CCOC1 329783914 VOFLKNZHBZEYPZ-UONOGXRCSA-N 376.479 -0.480 30 20 GBED N#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@]2(CCOC2)C1 349507873 VSOZADDOWNGRSH-AWEZNQCLSA-N 390.487 -0.502 30 20 GBED C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1ncccn1 349531948 AIRXXQBDUWNUAU-NEPJUHHUSA-N 376.460 -0.129 30 20 GBED C[C@@H]1CC[C@@H](C)N1CCN1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409560374 ALODUBHRPOUAKU-ZACQAIPSSA-N 385.534 -0.054 30 20 GBED CCC[C@@H](O)[C@H](CO)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 411773900 ALRLEOMEGXRROM-DZGCQCFKSA-N 389.387 0.460 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2CCO[C@H](CN)C2)CC1 423144920 IILBQDLTESEALJ-CYBMUJFWSA-N 375.404 -0.468 30 20 GBED N#Cc1cc(Br)cc(S(=O)(=O)N(CC(N)=O)CC(N)=O)c1 443469043 QSCPTKYGJXHWFZ-UHFFFAOYSA-N 375.204 -0.718 30 20 GBED CNC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 470652452 OBKXEVDVMYEQLK-UHFFFAOYSA-N 379.442 -0.338 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)CC2)c1C#N 530469184 QNZVJNTXZPZASW-OAHLLOKOSA-N 387.488 -0.341 30 20 GBED CCN(C[C@H](C)C#N)C(=O)CN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O 540729116 BQVQRMQIVLJIFH-CQSZACIVSA-N 393.444 -0.492 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCCN2CCN(CC)CC2)C1=O 559832342 RBUWHBGWLFSOCX-KRWDZBQOSA-N 393.532 -0.234 30 20 GBED CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)C1 562697907 NXUJVIIWGXGCJO-IBGZPJMESA-N 384.440 -0.414 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](O)C(F)(F)F)cc1 594539137 QSAJNOPLGWWIAX-SNVBAGLBSA-N 387.361 -0.310 30 20 GBED C=CCn1c(-c2cn(C)nn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 669040702 YUQXZCLLQAYXPJ-UHFFFAOYSA-N 399.459 -0.469 30 20 GBED C#CCNCC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 727238686 PEMVNOFHVOFJTP-UHFFFAOYSA-N 379.467 -0.253 30 20 GBED C[C@@H](CC(=O)N1CCN(CCO)CC1)/N=C1/NS(=O)(=O)c2ccccc21 743823441 NLYOKPKXNFGWDY-ZDUSSCGKSA-N 380.470 -0.360 30 20 GBED CN(C)C(=O)CN1CCN(C(=O)CN2CCN(c3ccc(C#N)nc3)CC2)CC1 801554177 VNNQSQBDBYWPNA-UHFFFAOYSA-N 399.499 -0.692 30 20 GBED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CNC[C@@H]1C#N 834510482 BMJVZDDALPSXJJ-WFASDCNBSA-N 394.453 -0.443 30 20 GBED C#CCONC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 855603410 NJSYYUHURJGFAM-LBPRGKRZSA-N 397.409 -0.949 30 20 GBED C#CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 857838622 BWIWVGXWURHNRV-LBPRGKRZSA-N 383.426 -0.659 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1cn(C)nn1 960577621 CSWFYXKMXFCRMM-LTIDMASMSA-N 389.456 -0.223 30 20 GBED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C[C@@H]2O)[nH]1 962336520 XSSZOXSXGWBISJ-RZFFKMDDSA-N 389.412 -0.999 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(NC(C)=O)cn2)C1 967072016 PLIAQVDGVSXAEO-SIXLDLHFSA-N 388.424 -0.067 30 20 GBED N#Cc1ccc(C(=O)N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@@]34COC[C@@H]3C4)C2)[nH]1 990883905 OFJGIFMKIFQOMF-PDOBJIDASA-N 381.396 -0.304 30 20 GBED N#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCS(=O)(=O)N2)[nH]1 1002086490 XCRPYMNAYDKBAH-CABNGKKXSA-N 377.426 -0.560 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCCOC 1110405489 BIULEUQEQHXRMA-TUVASFSCSA-N 382.461 -0.229 30 20 GBED N#CCC1(CNC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 1117319576 WZLPUEAQNMGHRQ-ZDUSSCGKSA-N 386.474 -0.599 30 20 GBED C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)C1 1288977388 MQJQGGUGMXLVGR-WBMJQRKESA-N 395.489 -0.092 30 20 GBED CN(C(=O)COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(C)(C)C#N 1317823716 XGOVPCURVFUTBA-RYUDHWBXSA-N 385.442 -0.674 30 20 GBED C[C@@H](NC(=O)C(=O)N1CCO[C@@H](C#N)C1)c1ccc(S(=O)(=O)N(C)C)cc1 1321799288 RKIZTXSLWFBVMR-OCCSQVGLSA-N 394.453 -0.135 30 20 GBED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCOC2(CCCC2)C1 1322696136 UBTBXROMXDOLKA-PFONDFGASA-N 376.413 -0.199 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(C(=O)N(CC)CC)CC2)C1=O 1325370661 UVBNONSWNHZRKW-HNNXBMFYSA-N 393.488 -0.162 30 20 GBED CCOC(=O)[C@H]1CNCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1326276312 UTENTXDMCJCUSY-CQSZACIVSA-N 380.426 -0.800 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 1328631251 XJPWZCSUQVGVEB-UHFFFAOYSA-N 375.447 -0.561 30 20 GBED C=CCn1c(-c2ncc[nH]2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1342341152 BVUQVFPLYMQCEZ-UHFFFAOYSA-N 386.460 -0.165 30 20 GBED CN(Cc1ncnn1CC(F)F)C(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1348665263 AXQCRZXSOJQDOU-GFCCVEGCSA-N 381.387 -0.300 30 20 GBED C#CCN1CCCC[C@@H]1c1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1C 1525858142 GQLJZKYMMKVFPQ-OAHLLOKOSA-N 398.475 -0.689 30 20 GBED C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H]2COC[C@@H]2N1 1574921247 VOFKTJGAGJFGHN-XUXIUFHCSA-N 384.506 -0.113 30 20 GBED C=CCOCC(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3cnn[nH]3)cn2)C1 1575109885 FQMQEMWQVATVIU-GOSISDBHSA-N 386.412 -0.238 30 20 GBED CN(C[C@H](O)CN(C)c1ccc(-c2nn[nH]n2)nn1)C(=O)c1ccc(C#N)[nH]1 1579024677 KWFNJHUEAHSWON-LLVKDONJSA-N 382.388 -0.574 30 20 GBED N#Cc1ccc(N2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H](O)C2)nc1 1581871119 HPGLHOUNPYYBCE-SMDDNHRTSA-N 379.384 -0.169 30 20 GBED N#Cc1ccc(N2CC[C@](O)(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)cn1 1581871242 MXGAUYXKEWTWKD-KRWDZBQOSA-N 379.384 -0.167 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]21 1588725352 BUPSLZYMUFKUME-MUGBGTHKSA-N 383.412 -0.028 30 20 GBED N#CCSCC(=O)N[C@@H]1CN(Cc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1O 1592679525 SUORXKDPJMAJLF-ZIAGYGMSSA-N 391.432 -0.076 30 20 GBED C[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C(=O)O)O1 1593334746 ZGTCVADLPIAZQN-GYSYKLTISA-N 381.410 -0.074 30 20 GBED N#CCNCc1cn([C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 1606350073 OMCYTAWOLTUODS-ZDUSSCGKSA-N 381.404 -0.123 30 20 GBED N#Cc1nc(NC(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)[nH]c1-c1nn[nH]n1 1606354968 ZPJXJNZYAJQAPY-CRCLSJGQSA-N 390.307 -0.377 30 20 GBED CNC(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014981 LQROIJWZXUXAQY-TYJAPOHBSA-N 379.461 -0.576 30 20 GBED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)COCCO)CCO2 1779140239 WDWWMUDRQRIKQM-HRYJJRBTSA-N 379.413 -0.463 30 20 GBED CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1781789673 NWLYBKQLRQEVIE-WPKBUWHJSA-N 379.413 -0.887 30 20 GBED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1783164216 DINSCYHTWPPLHC-IQUTYRLHSA-N 390.440 -0.488 30 20 GBED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784389547 FVKCOTHVJLDHCK-ULMVMLMRSA-N 392.452 -0.005 30 20 GBED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1785014569 NZKGPZSTTHTUAA-IHRRRGAJSA-N 390.527 -0.070 30 20 GBED Cn1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1Cl 1789083549 OTOCJJZGNXFPGN-DRZSPHRISA-N 394.815 -0.245 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncon3)[C@H]2C1 1789084311 SBECADRRPZUGPZ-JJVDHKILSA-N 389.412 -0.479 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792632369 SMZUKWWAJDRELU-YVECIDJPSA-N 382.417 -0.810 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1noc(C)n1)C2 1793341041 ZNUFIJOLKPHIRE-MBMVNNNZSA-N 376.413 -0.452 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(F)F)no1 1795915732 MUMVMUSDEHGESA-ICCCGROCSA-N 383.307 -0.097 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CC[C@H](N)C(N)=O 1796085875 RZRXIACBQMNOAT-XGUBFFRZSA-N 394.472 -0.273 30 20 GBED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)CN)c1 1796337829 NHTZKILEILYRDF-ZMMAXQRCSA-N 385.468 -0.634 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nccn1 1799410610 JAEFDEGJXCZAPJ-HLPPOEQASA-N 377.445 -0.559 30 20 GBED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H](O)CN1 1799920531 SCSKYLZJDSKMJE-AOAVCYAGSA-N 394.472 -0.124 30 20 GBED C[C@@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CCC1)C2 1801009259 WSRSNMCZHBGAFN-VLWCASSMSA-N 393.440 -0.114 30 20 GBED CN1CCN(C2(C(=O)N[C@@H]3C[C@@H]4CC[C@H](C3)N4C(=O)C#CC(=O)O)CC2)CC1 1801988782 OFCRTPUFJUUOGZ-MUJYYYPQSA-N 388.468 -0.507 30 20 GBED C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1821871658 KBAIGXKTWKWTIO-AWEZNQCLSA-N 393.469 -0.235 30 20 GBED C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1)n1cncn1 1825675083 UDTIIRRLLCHJAU-VHSXEESVSA-N 388.409 -0.004 30 20 GBED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)C1(O)CCC1 1829746765 SIVAUMSCYUNLTO-RDTXWAMCSA-N 394.424 -0.918 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOC)C2)C1 1829765213 NDFLSPOAYLRZGC-PHWHVTFISA-N 395.456 -0.662 30 20 GBED Cn1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)n1 1830054014 AZVSNWBJHGGFOD-QGZVFWFLSA-N 376.417 -0.565 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1831402171 PUACCJTZULUSJC-QMTMVMCOSA-N 395.456 -0.994 30 20 GBED CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)n[nH]1 1833821952 YCWMMNKPKKGOJS-KRWDZBQOSA-N 375.385 -0.404 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cscn1)CCO2 1834259704 KAFDXQKUENFPLS-INIZCTEOSA-N 379.394 -0.699 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC)C2)C1 1839174498 GNNDBMZQBKRFKG-GOSISDBHSA-N 384.429 -0.401 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1839840796 MIFSGQBBPRDWLJ-CRAIPNDOSA-N 377.445 -0.053 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1840173800 RVKWRRUEMNKXKA-QGZVFWFLSA-N 384.502 -0.497 30 20 GBED NC(=O)[C@H](N)CCC(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282357 GYNUWJNKGGFJDP-OAHLLOKOSA-N 390.484 -0.519 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)NCCN3CCCS3(=O)=O)CC2)c1 61039589 HKZKFXUFMNVPFN-UHFFFAOYSA-N 378.458 -0.180 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(C(N)=O)CC1 268837655 PWQLKSPHONAXKD-LBPRGKRZSA-N 379.442 -0.162 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cncnc1N(C)C 273727161 OYHNFGATEJOCHX-LBPRGKRZSA-N 395.427 -0.120 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCCCNC1=O 349611825 HVBSBFOJXFRARN-RYUDHWBXSA-N 380.492 -0.862 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCCc1cccc(C#N)c1)C2 366982346 OUWYVICULKLVCV-UHFFFAOYSA-N 397.439 -0.227 30 20 GBED COCCCN(CCO)C(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 410899124 LUZKKPWVHRXPJZ-UHFFFAOYSA-N 392.460 -0.894 30 20 GBED CC#CCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 430262064 LCNRUMGZRLNWLL-CYBMUJFWSA-N 395.437 -0.490 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N(C)C[C@@H](O)CN2CCOCC2)c1 443361829 ZRLJWEWHXVLPBR-MRXNPFEDSA-N 397.497 -0.084 30 20 GBED CCNS(=O)(=O)c1ccc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)cc1 477172187 ZVNDJGKBCRZGSK-UHFFFAOYSA-N 377.426 -0.134 30 20 GBED C[C@H]1CCS(=O)(=O)CCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 517789962 NAOJVSLLRYVOEO-LBPRGKRZSA-N 385.467 -0.128 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)NC)cc1 519833791 GPIIONCMVSORKX-MNOVXSKESA-N 388.471 -0.320 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)CC1 567299258 KIJFFUFQSVQRDO-MRXNPFEDSA-N 393.532 -0.153 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](O)COC)cc1 570695755 ACBHANMUCBNYGB-GFCCVEGCSA-N 391.471 -0.494 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)C1=O 586841174 WAYVWYNIMLBQGE-CYBMUJFWSA-N 378.429 -0.026 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NC)cc1 594597752 TZPMXELJXDKXIK-UHFFFAOYSA-N 388.471 -0.413 30 20 GBED COCCN(C(=O)Cn1c(OC)c(C#N)ccc1=O)[C@@H]1CCS(=O)(=O)C1 596282771 MWKJCQFFNDABAG-CYBMUJFWSA-N 383.426 -0.609 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(N)=O 608912013 ZNKUYKQUDSJNMP-UHFFFAOYSA-N 388.424 -0.437 30 20 GBED C=C(CNS(=O)(=O)C[C@H]1CCCO1)CNS(=O)(=O)C[C@H]1CCCO1 660130487 XKBPDPYCONCQLZ-ZIAGYGMSSA-N 382.504 -0.261 30 20 GBED C=CCOc1cccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 771892889 VRDOQKUTJSRDPQ-UHFFFAOYSA-N 378.410 -0.039 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCC(O)(C(=O)OC)CC1)c1cc[nH]n1 772518559 PVJHSLKRLISYGR-UHFFFAOYSA-N 382.373 -0.780 30 20 GBED C=CCS(=O)(=O)CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 783617084 YIRGUOKWHPKNFY-UHFFFAOYSA-N 388.467 -0.288 30 20 GBED CN1CCN(CCNC(=O)C(=O)NCCNc2ccc(C#N)cn2)CC1(C)C 806786893 XXONNHQHQHRZKZ-UHFFFAOYSA-N 387.488 -0.376 30 20 GBED COC[C@@](C)(CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 826148643 NEGXFPZBGYJKAH-QGZVFWFLSA-N 397.399 -0.041 30 20 GBED N#Cc1cc(-c2nn[nH]n2)c(N)nc1SCC(=O)N[C@@H]1CCSC1=O 826383546 GHNJVFALIRAIGX-MRVPVSSYSA-N 376.427 -0.044 30 20 GBED CCn1c(=O)c(C(=O)CN(CC#N)CC(=O)O)c(N)n(Cc2ccccc2)c1=O 830408087 JFXSROMHGCAVAJ-UHFFFAOYSA-N 399.407 -0.247 30 20 GBED CC1(C)COC(=O)[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 848942502 NLYAUUCWOPVSQB-GFCCVEGCSA-N 387.439 -0.282 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2F)CC1 872515933 YGUFZESKQCWWPW-UHFFFAOYSA-N 391.446 -0.392 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@H]2OC)c1 946643998 IYMFSVBDUHOXLV-YYIAUSFCSA-N 384.436 -0.257 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@H]21 972411482 GBXZCIRNYDZVQD-VQHPVUNQSA-N 390.484 -0.541 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)OC 1108997147 ZVBMZXCHRJESRZ-RNJOBUHISA-N 381.433 -0.536 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCCN4CCC[C@H]4C3)CC2)c1C#N 1117911050 DBYZNIBVCWRZPB-INIZCTEOSA-N 399.499 -0.055 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C2CCC(C(=O)N(C)C)CC2)CC1 1119113726 ZTWQNYQPXYQPSJ-UHFFFAOYSA-N 384.502 -0.507 30 20 GBED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N(C)C)CCOC1 1296663504 ISGNACFLHZSKFD-SUMWQHHRSA-N 378.433 -0.253 30 20 GBED COCn1nc(C)c(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1C 1320267481 KOOMOJNBXDGFLB-SQFISAMPSA-N 383.430 -0.091 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccnc1-n1cncn1 1320678079 GBQRVQBKYXURRL-UHFFFAOYSA-N 398.427 -0.325 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 1323259671 IJMRURVABKOMPA-UHFFFAOYSA-N 391.399 -0.359 30 20 GBED C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1325014007 PCDOPGDDIFQFDL-ZRBXUZRCSA-N 389.481 -0.030 30 20 GBED CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1 1326597768 UOCXTDUXEFSYBQ-ROUUACIJSA-N 385.468 -0.180 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 1327021011 IXQFCDZXGWOZRA-IBGZPJMESA-N 391.472 -0.980 30 20 GBED N#C[C@H]1CN(C(=O)C(=O)N2CCN(Cc3cscn3)CC2)CCN1C1CC1 1330317678 HEBXEPBPCQPUDA-INIZCTEOSA-N 388.497 -0.014 30 20 GBED N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CC(=O)N2CCOCC2)CCO1 1505322172 JXXZIQGUQOGQNH-CQSZACIVSA-N 383.412 -0.072 30 20 GBED C=CCn1c(C[C@H]2CCNC(=O)C2)nnc1N1CCN(CCOC)C(=O)C1 1520410862 OZYXOLOFQQSJRS-CQSZACIVSA-N 376.461 -0.172 30 20 GBED C#Cc1cncc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)c1 1573292704 ZYWXRXGHOREHFX-KGLIPLIRSA-N 391.395 -0.597 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 1588351122 FMUMWQMWLGAOSX-KGLIPLIRSA-N 381.444 -0.209 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C[C@H](C)N=c1cc[nH]c(-c2nn[nH]n2)n1 1588404469 HQNLWXNOLDJACK-WCQYABFASA-N 387.448 -0.192 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[nH]n1 1588406016 RAVPMPNKOZKGKE-LLVKDONJSA-N 389.420 -0.164 30 20 GBED C#Cc1cccc(NC(=O)NC(=O)CN2CCS(=O)(=O)C[C@@H]2C(=O)O)c1 1588439959 WUBYIJRKPVUFAY-CYBMUJFWSA-N 379.394 -0.500 30 20 GBED C=C[C@](C)(O)CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](OC)C1 1588501677 NXMWWGXFVNHWAJ-XNJGSVPQSA-N 389.416 -0.523 30 20 GBED C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCO1 1588675928 LGCNKYWJZSAXLC-CYBMUJFWSA-N 389.416 -0.255 30 20 GBED CC(C)N(CCCNC(=O)Cn1cc(C(=O)O)cc(C#N)c1=O)S(C)(=O)=O 1591591134 NLOJCVOIPRLIHL-UHFFFAOYSA-N 398.441 -0.406 30 20 GBED C#CCOCCC(=O)NCC1(Nc2nccnc2-c2nn[nH]n2)CCOCC1 1602729424 REUHSYSMIAGFNE-UHFFFAOYSA-N 386.416 -0.226 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc2ncccn2n1 1639334454 SPQOMHIGTMNWQS-UHFFFAOYSA-N 385.409 -0.131 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](CO)CC1OCCO1 1644726624 JSTUCXPSZVHMDM-WCQYABFASA-N 383.426 -0.535 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)n3cnnn3)CCO2)C1 1778977028 XRMIOWASCXFCTF-QWQRMKEZSA-N 392.460 -0.363 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)CCSC)C2)C1 1783962113 DAPFFIBUAGGMPO-RKVPGOIHSA-N 384.498 -0.031 30 20 GBED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1789955143 FPVHLKUCNSDNDO-QPSCCSFWSA-N 393.448 -0.546 30 20 GBED C=CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)[C@H](O)C=C 1797713730 XLDVOMADYONMGP-XGYYKPKNSA-N 393.484 -0.160 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)CNC(=N)N)CC2)C1 1804853830 SAHVESFEUHJOMX-PLNGDYQASA-N 390.488 -0.441 30 20 GBED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822607528 MBESWJVAUKOKGF-UHXUPSOCSA-N 392.481 -0.184 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncccn3)CCO2)C1 1834287779 DTCRVPJCLNPORA-KXBFYZLASA-N 388.424 -0.415 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)O)C2)C1 1839176409 NETDXDIUOGEENP-KDOFPFPSSA-N 384.429 -0.667 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1840160046 VUULQCAZPIWCEZ-KBXCAEBGSA-N 395.481 -0.377 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1840174505 HYDWHTREPYYXMN-XLIONFOSSA-N 394.516 -0.345 30 20 GBED C[C@H](C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)[C@@H]1SC(=N)NC1=O 1843409033 MAWBWXWRWIJEJA-CABZTGNLSA-N 378.410 -0.920 30 20 GBED O=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)CN1 1845998718 LXFUAWIFBOHJRX-RCWWIMPZSA-N 378.429 -0.145 30 20 GBED Cc1nn(CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)c(=O)c(C#N)c1C 54155520 SWZNUZVEXOIJAM-UHFFFAOYSA-N 386.412 -0.287 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnn(CCN3CCOCC3)c2)C1=O 264003916 BTKYVNBSLLVNFK-UHFFFAOYSA-N 390.400 -0.869 30 20 GBED C[C@H](NC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)N1CCS(=O)(=O)CC1 268670926 XFFASTYVTPNXMN-LBPRGKRZSA-N 378.406 -0.472 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(S(=O)(=O)c1cccc(C#N)c1)C2 276184250 WAYVLMNRKIDWPD-UHFFFAOYSA-N 390.425 -0.791 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)N(C)C 291539531 LRQSWTTYAGXABC-LLVKDONJSA-N 388.471 -0.767 30 20 GBED CN1CCN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)C(C)(C)C1 349502535 OIJOMKDDCLDGJX-UHFFFAOYSA-N 378.520 -0.292 30 20 GBED CC[C@@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N 349526905 UJLUFCNJRBUXPO-GFCCVEGCSA-N 394.519 -0.520 30 20 GBED CN([C@@]1(C#N)CCOC1)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@H]1O 349537360 PYYYUGJIDGXINX-MGPQQGTHSA-N 395.503 -0.846 30 20 GBED C[C@@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)N1CCCn2ncnc21 349618167 QHNMXMWYSIDIBX-NSHDSACASA-N 376.464 -0.570 30 20 GBED CC(CO)(CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 477759112 AQPUABJILXEQKX-UHFFFAOYSA-N 381.454 -0.182 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 543273055 RHXNMDYJFMLTFX-WFASDCNBSA-N 390.396 -0.329 30 20 GBED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(C#N)nc1 546175096 GHYBWFURDCFNKK-ZDUSSCGKSA-N 382.398 -0.978 30 20 GBED Cn1c(=O)c2c(ncn2CCC(=O)NCC(=O)c2ccc(C#N)cc2)n(C)c1=O 557110571 YCOKLWQBANHRNB-UHFFFAOYSA-N 394.391 -0.305 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCC(CCN)CC3)CC2)c1C#N 575066500 VDOUETNMQVZXIP-UHFFFAOYSA-N 387.488 -0.164 30 20 GBED N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)CC2=O)cc1Cl 582132069 ZTURPFSMGQMDNS-ZLKJLUDKSA-N 397.840 -0.161 30 20 GBED C[C@@H]1[C@H](O)CCN1S(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 594545071 IXYAMHPAAKLNCC-IUODEOHRSA-N 398.466 -0.132 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H]2CCOC2)cc1 594623856 ANNWDQCLCFASBC-GFCCVEGCSA-N 384.439 -0.208 30 20 GBED N#Cc1ccccc1OC[C@H](O)CNCCNS(=O)(=O)Cc1ccon1 600725447 BZEMEJPLKLIOJR-OAHLLOKOSA-N 380.426 -0.005 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](O)[C@@H]2CCCO2)cc1 600764640 TYNKJQPMUSEPRQ-KBPBESRZSA-N 389.455 -0.693 30 20 GBED C=CCN(C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[C@H](C)COC 658374319 MPDGBSTWGLZTBG-CQSZACIVSA-N 393.444 -0.270 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN([C@@H]3CCC[C@H]3O)CC2)C1=O 673584934 LYKSWZWSEXCJBX-IXDOHACOSA-N 392.500 -0.274 30 20 GBED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNC(=S)NCC(N)=O)CC1 731928085 FZAGMBLAZFOHAN-UHFFFAOYSA-N 387.491 -0.884 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767677749 AGTMNUGDOVUUPV-NSHDSACASA-N 394.409 -0.220 30 20 GBED CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1 769780628 DNXYCLYGHBYODD-SNVBAGLBSA-N 382.398 -0.386 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1)c1cc[nH]n1 772231475 UBDVQSVJBBUBKS-LSDHHAIUSA-N 393.444 -0.249 30 20 GBED CN(C)S(=O)(=O)CCCOC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 781898867 QTTGHRPVVJPYMV-UHFFFAOYSA-N 389.455 -0.339 30 20 GBED COC(=O)Cn1ncc(NC(=O)C(=O)NCCNc2ncccc2C#N)c1C 796727521 RGTVQAJSUXKRHQ-UHFFFAOYSA-N 385.384 -0.202 30 20 GBED C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)N=c2cc[nH]cc2)CC1 848962560 DOIJIBMWZKRLRV-UHFFFAOYSA-N 386.499 -0.784 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1nnn(C)c1C)C(C)C 848962874 BBYYOBPKKPALOX-LBPRGKRZSA-N 377.492 -0.167 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1C(=O)OCC1(C)C 848964422 QOXZHHPCRORWNU-GHMZBOCLSA-N 381.476 -0.579 30 20 GBED C#CC1(O)CN(C(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)C1 890519909 BQMRYZNBXQTFES-UHFFFAOYSA-N 396.465 -0.210 30 20 GBED C=CCNC(=O)[C@@H](C#N)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 916920987 PFTYUTCVRSFWFC-AWEZNQCLSA-N 390.421 -0.568 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1cc2n(n1)CCO2 960532371 KFXIWBSBSPKCGE-SYAUCNOPSA-N 388.424 -0.082 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnn3ccc(C)nc23)C1 969110173 ORYQQFBMLBIZSD-OJLVUWQFSA-N 385.424 -0.070 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnc3nc(C)nn23)C[C@H]1O 1025709033 CPDHZJREINOBFF-GBOPCIDUSA-N 386.412 -0.675 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CCN(C(N)=O)CC2)C[C@H]1O 1025711081 CZYWHMRMCHGFLS-TUVASFSCSA-N 380.445 -0.944 30 20 GBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 1118181533 ZRZRREOFQAJUMP-RRFJBIMHSA-N 398.485 -0.552 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)NC(=O)NC)C[C@H]1OC 1213554026 SSAUBJHSSGQXEU-NHIYQJMISA-N 382.461 -0.371 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)C1 1261304418 SDYSMKMRQBSNFL-GOSISDBHSA-N 379.436 -0.393 30 20 GBED COC(=O)[C@@]1(C)CCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1324578800 UXAHBZUTDZBQLB-QOHRORDFSA-N 378.385 -0.959 30 20 GBED CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 1325098198 VHANCLKGVXVADD-OAHLLOKOSA-N 392.437 -0.702 30 20 GBED CC(C)[C@@H](C#N)N1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1325168611 PQRXMOGTTIWDBF-ZIAGYGMSSA-N 385.490 -0.835 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)nn1 1326701595 KBWOXHXDRKKFSR-UHFFFAOYSA-N 398.471 -0.457 30 20 GBED CNC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1330948378 LIPCELUOYYILGO-OAHLLOKOSA-N 384.440 -0.414 30 20 GBED C=CCN(CCOC)C(=O)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 1335544062 OVLRQGKQKALJPE-UHFFFAOYSA-N 380.489 -0.020 30 20 GBED C=CCCC[C@H](C)NC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1342266960 VNVOIZMQLYIBPH-AWEZNQCLSA-N 392.456 -0.333 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@](F)(CO)C3)C2=O)cc1 1342867785 JGWMKGYHKPMSMG-HNAYVOBHSA-N 388.399 -0.292 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1573285737 MOPHMMGWVDAJPK-HIFRSBDPSA-N 382.428 -0.377 30 20 GBED C#CCN1CCC(C(=O)N[C@@H](C)[C@@H](C)N=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1588351598 AEVGOEJLOAMGNQ-OLZOCXBDSA-N 383.460 -0.271 30 20 GBED C#CCN(CC(=O)O)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1588416112 GNLGSEKOJCPIGZ-UHFFFAOYSA-N 396.421 -0.124 30 20 GBED COc1ccc(CNC(=O)Cn2c(N)nc(C#N)c2-c2nn[nH]n2)cc1OC 1605278399 DKKQPIMQULRSAR-UHFFFAOYSA-N 383.372 -0.149 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778938468 DFFWTZWSFDJZEJ-FZKQIMNGSA-N 378.429 -0.735 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1781269629 DBSSOHXAHAIRNW-GOSISDBHSA-N 391.428 -0.383 30 20 GBED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1783194752 HYUDLZSNCUOUMK-WBMJQRKESA-N 388.415 -0.380 30 20 GBED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)CN1CCS(=O)(=O)CC1)CCO2 1783914725 AXPZAEDPNYMXCU-KRWDZBQOSA-N 385.486 -0.877 30 20 GBED Cc1nccn1CCCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1784412010 PFULTMAOCUTYSZ-LJQANCHMSA-N 388.424 -0.110 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)nn1C)C2 1793340885 PTMLLOWEPGYKPC-VWPFQQQWSA-N 390.440 -0.330 30 20 GBED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2 1793380123 IRWCFWNOMOZDNT-AYRXBEOTSA-N 385.486 -0.017 30 20 GBED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)CC)C2 1793562302 OMBMEPIODFCBSC-DGADGQDISA-N 399.513 -0.009 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1OC 1794370413 QISZDMOVTQSECQ-APIJFGDWSA-N 388.424 -0.273 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)nn1 1794562225 SEZAAEIULXFXJD-JFILPPLUSA-N 376.413 -0.024 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccccn13)C2 1800778365 PFLZFOGZYICRHP-IVWMJMPLSA-N 382.376 -0.375 30 20 GBED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1C(N)=O)C2 1800993559 QLDCZOOACSTHBP-AGGWBTHJSA-N 385.424 -0.418 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CNC(=O)C1)CC2 1825671841 QFCHPGMRVDQYNB-DTWKUNHWSA-N 376.394 -0.721 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1831387847 RUWCZYDKNLHNAL-ABSDTBQOSA-N 393.484 -0.425 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1831402170 PUACCJTZULUSJC-KHYOSLBOSA-N 395.456 -0.994 30 20 GBED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CS(C)(=O)=O)CCO2 1835261490 NLISFCCMHDHNBD-QGZVFWFLSA-N 386.470 -0.709 30 20 GBED Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)o1 1840160122 XKVFYHYLGLACKI-BDJLRTHQSA-N 384.458 -0.305 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1840166871 IPZRQIADEOZOPW-LJQANCHMSA-N 390.440 -0.001 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1840172745 GONKPLLLIKVFDQ-LJQANCHMSA-N 375.425 -0.119 30 20 GBED CCOC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)c2cc(C#N)c[nH]2)C1 1844796153 OCLNNAWEIKATFG-ZDUSSCGKSA-N 375.385 -0.232 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)CN(C)C(=O)C(=O)O)C2 1845255228 NZIMXXUDLBPZDN-GFCCVEGCSA-N 382.417 -0.466 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 15450089 APHLJKGXGDEGHK-UHFFFAOYSA-N 396.425 -0.341 30 20 GBED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC(=O)NCC#N)CC1 66472224 UXEOIJGLPIEPRO-UHFFFAOYSA-N 381.414 -0.151 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2csc(CC(=O)N(C)C)n2)c1=O 103259270 SEORTSLFZFIONI-UHFFFAOYSA-N 391.453 -0.321 30 20 GBED C[C@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)CCN1c1nccn2cnnc12 281815314 SGPSCPWGXOLJML-STQMWFEESA-N 378.462 -0.029 30 20 GBED C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)cc1 290014900 JMPBDTFKLXMHJO-DGCLKSJQSA-N 377.397 -0.030 30 20 GBED COCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC 291615002 SUARGSGWYOCUTH-SMDDNHRTSA-N 383.426 -0.081 30 20 GBED CC(=O)N1CCN(C(=O)CC/N=C(/O)CN2C(=O)[C@](C)(C3CC3)N=C2O)CC1 329257833 DEZBFTWNYAOILV-SFHVURJKSA-N 393.444 -0.051 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCc2c[nH]nc2C1 349473487 IHEAPVZWTDELLL-NSHDSACASA-N 375.476 -0.339 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCOCC(F)(F)C1 349502166 QXABZOPTNDTLCT-LLVKDONJSA-N 389.446 -0.153 30 20 GBED Cc1nc(=NS(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)CC#N)n(C)[nH]1 349520647 KFHBLIPXQXKUEA-SNVBAGLBSA-N 378.480 -0.759 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(C(N)=O)CCOCC1 371221480 XWJYHHWYMFTIJU-NSHDSACASA-N 380.426 -0.624 30 20 GBED COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)Cn2cnc(C#N)n2)c1 426885022 XVYHKDJXOQZAHC-UHFFFAOYSA-N 383.372 -0.199 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 465467820 QRBDXIWNDJSIGR-ZIAGYGMSSA-N 392.485 -0.496 30 20 GBED CN(CC(=O)N1CCC[C@@](O)(C(N)=O)C1)S(=O)(=O)c1ccc(C#N)cc1 501933838 CEIZYUVBWWHWBO-INIZCTEOSA-N 380.426 -0.982 30 20 GBED CCCN(CC(N)=O)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 521371981 SKLGLTSDFMUFEH-UHFFFAOYSA-N 388.471 -0.283 30 20 GBED CN1CCN(C(=O)CCNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1 543753552 FZGHVUJSKQGJJE-UHFFFAOYSA-N 376.465 -0.398 30 20 GBED C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCC(=O)NCC#N)n(C)c2)C1 553758244 BDXVKMSBQNEYRI-LBPRGKRZSA-N 381.458 -0.185 30 20 GBED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(C)C 563732666 OCIHDLBPMARLPX-BRWVUGGUSA-N 391.516 -0.428 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCn2cncn2)cc1 569259279 YCZYVTQVILZPED-UHFFFAOYSA-N 398.470 -0.209 30 20 GBED C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCC(=O)NCC#N)c2)C[C@@H](C)O1 588077603 CQXIYLKTVDGTIO-BETUJISGSA-N 394.453 -0.146 30 20 GBED C=CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 658448772 KDVGWQZJNGQLTD-KRWDZBQOSA-N 392.500 -0.196 30 20 GBED C#Cc1ccc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cn1 729027670 CYOCKGLRJDBZPJ-MRXNPFEDSA-N 391.449 -0.449 30 20 GBED C=CCOCC(=O)OCC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 735437039 CZOKHULBIPKAQC-UHFFFAOYSA-N 391.388 -0.442 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2nccnc2NC(=O)C(C)(C)C)CC1 742634080 MJUONBONLBYGLS-UHFFFAOYSA-N 386.456 -0.032 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NC(=O)NC2CCCCC2)CC1 761030496 WXURHRZQIIUDNM-UHFFFAOYSA-N 385.490 -0.770 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N(C[C@@H]2CCCN2CC)C1 785644317 PWNHJJGXITXHKN-KBPBESRZSA-N 380.445 -0.126 30 20 GBED CCC1(CC)NC(=O)N(CC(=O)NS(=O)(=O)c2cncc(C#N)c2)C1=O 813985139 OONHQXRJCABRDO-UHFFFAOYSA-N 379.398 -0.131 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCC2(CC1)CNC(=O)N2C)c1cc[nH]n1 819755793 RKEUZAHHGPTHKJ-UHFFFAOYSA-N 392.416 -0.290 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)c1 846525325 LEMILRZQUXGWBV-UHFFFAOYSA-N 388.453 -0.326 30 20 GBED CN(CC(=O)N[C@H]1CCCN(O)C1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1 848135448 DPIZSLFRMBCNCV-LBPRGKRZSA-N 386.386 -0.288 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@](O)(/C=C\OCC)C(F)(F)F)C1=O 848191474 SYWYVYZSEINWPM-VSKVDJIOSA-N 393.318 -0.077 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1C 959693583 ZPKUKSQECDVGDG-TUVASFSCSA-N 392.456 -0.175 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccnc3nc(C)nn23)C1 969047927 JQCNBJIFKNUPJD-UXOAXIEHSA-N 386.412 -0.675 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CS(C)(=O)=O)nn1 1003042690 ZSDQHKZRHWHERY-BZPMIXESSA-N 381.458 -0.240 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccc2nnc(O)n2c1 1111138441 FJFLBRQGJHLTSL-MYPMTAMASA-N 382.424 -0.092 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1117873841 RBRBXNZUNQMHAR-MRXNPFEDSA-N 397.497 -0.630 30 20 GBED C[C@H](NC(=O)C(=O)N1CCO[C@H](C#N)C1)c1ccc(S(=O)(=O)N(C)C)cc1 1321799280 RKIZTXSLWFBVMR-GXTWGEPZSA-N 394.453 -0.135 30 20 GBED CO[C@H]1CN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C[C@H]1OC 1344948783 XIPAYBJALZAOKF-AEGPPILISA-N 388.428 -0.742 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[nH]n2)nc1 1573309586 LDRZKSJHNDLDBW-SUMWQHHRSA-N 375.433 -0.156 30 20 GBED C=CCS(=O)(=O)CCn1c([C@H]2COCCN2)nnc1N1CCOC[C@H]1C 1574951236 XQIVXALUCJVJDC-ZIAGYGMSSA-N 385.490 -0.235 30 20 GBED C[C@@H](C#N)C(=O)N[C@@H]1CN(CC(=O)NCc2cnn[nH]2)CC2(CCOCC2)C1 1575176315 FSMUAQMMNLANBW-KBPBESRZSA-N 389.460 -0.432 30 20 GBED CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1578380676 XJOWSKJFCBBJGU-MPKXVKKWSA-N 386.416 -0.052 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(-c2nn[nH]n2)n1 1582110490 JZSSFJXHMIMAJP-UHFFFAOYSA-N 384.381 -0.061 30 20 GBED C#C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2cnccc2-c2nn[nH]n2)CC1 1588331779 DAJVVOQJXDRQRM-CQSZACIVSA-N 394.439 -0.075 30 20 GBED C#CCNC(=O)CNC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588354763 YTEZPEUTUMGPIS-WFASDCNBSA-N 384.444 -0.226 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C[C@@H]1O 1588356872 GTAAPDGIEWBLHA-LYRGGWFBSA-N 388.403 -0.295 30 20 GBED C#CCOCCC(=O)NC[C@@]1(O)CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 1588361495 OHRBNYSSXMYNQN-IBGZPJMESA-N 384.440 -0.040 30 20 GBED C=C[C@@](C)(O)CC(=O)NC1(CO)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 1588503023 WGNZXQBPRHZZQE-MRXNPFEDSA-N 388.432 -0.569 30 20 GBED C=CCn1cc(C(=O)N[C@@H](C)CCCN=c2cc[nH]c(-c3nn[nH]n3)n2)nn1 1588713702 QHYZTLAKPJIYKJ-NSHDSACASA-N 383.420 -0.133 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(C(=O)O)CCOCC1 1589132618 ZJWGWRXNEMTSTL-NSHDSACASA-N 381.410 -0.025 30 20 GBED CN(CC(C)(C)C#N)C(=O)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 1591038974 IAKAGDVLGBUIQA-UHFFFAOYSA-N 397.443 -0.082 30 20 GBED Cc1cc(=NCCN(CCO)C(=O)CSCC#N)c(-c2nn[nH]n2)c[nH]1 1592048448 JZVMRYULAOCJAI-UHFFFAOYSA-N 376.446 -0.518 30 20 GBED CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N(CC#N)CC(=O)O)C1 1603423754 UPJUIGONPCFVFU-LLVKDONJSA-N 389.430 -0.153 30 20 GBED CC[S@@](=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1617443303 LHYUPUWBGFWWFH-ZBSNKRKSSA-N 380.474 -0.102 30 20 GBED CNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1748273390 DCLOXTCBWKSUSF-KGLIPLIRSA-N 386.460 -0.458 30 20 GBED C=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](COC)NC(C)=O)C3)C2)C1 1779311352 PCNGDHNVBIOIJO-VQIMIIECSA-N 379.457 -0.066 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@@H]21 1788572651 MNPBFJRMPMBIDC-ZQDZILKHSA-N 392.460 -0.774 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CC(=O)NC1=O)C2 1800218747 GOHYZLSVHIQJTJ-FQUUOJAGSA-N 393.444 -0.023 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1noc3c1CCCC3)C2 1800775996 NICZKERDZOVUFL-DPIQGUFMSA-N 387.392 -0.155 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1830059600 GOPMZUGPJRUABE-QGZVFWFLSA-N 377.401 -0.265 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCNC)C2)C1 1831393987 SWNOKVTXQIBKSU-QFBILLFUSA-N 381.473 -0.519 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(=O)n1C)CCO2 1833876214 ZBOSABLJOFZSRK-FQEVSTJZSA-N 387.436 -0.131 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1834758725 VRUJXTZBUZLUSN-GOSISDBHSA-N 384.396 -0.058 30 20 GBED CN(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1834942783 QPOHDNXFCWQHDQ-GOSISDBHSA-N 375.429 -0.482 30 20 GBED COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1835240221 WKVPAEGKIOHFNF-LJQANCHMSA-N 380.441 -0.481 30 20 GBED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)N1C[C@H]2C[C@H]2C1 1837283983 YHIYFLYKAYDTDY-OAFZBRQQSA-N 376.457 -0.303 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3C(=O)C=CC3=O)C2)C1 1840171504 IZKNBGFYAXSIPB-IBGZPJMESA-N 391.424 -0.666 30 20 GBED COC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1840322684 RACNDVFKOBKWNM-NHYWBVRUSA-N 375.447 -0.883 30 20 GBED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@H](C)S)C2 1846561515 KJCNVMLVPXPZNL-SMDDNHRTSA-N 379.486 -0.021 30 20 GBED C/N=C(/NCCNS(=O)(=O)c1cccs1)N[C@@H]1CCc2ncnn2C1 153921415 ZNIPSLNSNVODFG-LLVKDONJSA-N 383.503 -0.202 30 20 GBED CCn1nccc1/C=c1\s/c(=C(/C#N)C(=O)N2CCSCC2)n(C)c1=O 270107695 YEGFUFBKWXPNDU-YEJJPGKBSA-N 389.506 -0.258 30 20 GBED C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 286215407 XFSRSXLWNNUYSJ-CQSZACIVSA-N 384.440 -0.271 30 20 GBED CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 293943772 UZOXHUYONXOGIS-OAHLLOKOSA-N 399.494 -0.035 30 20 GBED Cn1cc(C#N)c(=O)n(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)c1=O 294989993 QHCMVXPCNAOBIH-UHFFFAOYSA-N 399.363 -0.072 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CN(C)C)CC2)c1 298420054 ATPNHIXKKFNFND-UHFFFAOYSA-N 392.481 -0.556 30 20 GBED Cn1cc(CN2CCN(/C(O)=N/C[C@@H]3CCN(S(C)(=O)=O)C3)CC2)cn1 328729230 HHJSBGSJLVRQLM-AWEZNQCLSA-N 384.506 -0.267 30 20 GBED Cn1ccc(N2CCC[C@H](N/C(O)=N/C3CCN(S(C)(=O)=O)CC3)C2=O)n1 329306836 PIMVZWAKBMIPIY-ZDUSSCGKSA-N 398.489 -0.157 30 20 GBED CN(C[C@@H]1CCCN(/C(O)=N/CCN2CCN=C(O)C2)C1)S(C)(=O)=O 329565774 SQTVQORHKHXPKA-ZDUSSCGKSA-N 375.495 -0.224 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(/C(O)=N/C3CC(F)(F)C3)CC2)CC1 330226093 BISGCIJVBBNSGA-UHFFFAOYSA-N 381.449 -0.192 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 349546556 DSTUXCZNUVDOIM-UPJWGTAASA-N 377.488 -0.304 30 20 GBED N#Cc1ccnc(NS(=O)(=O)CCCCS(=O)(=O)N2CC[C@H](O)C2)c1 349590157 LEQANGJVSBKMCJ-ZDUSSCGKSA-N 388.471 -0.128 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CN3CCN(C)CC3)CC2)C1=O 363518077 QSDWXRKYOIKDRP-UHFFFAOYSA-N 391.472 -0.551 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CNCCCO3)CC2)c(F)c1 420182561 FOLRMITYWYTKHF-OAHLLOKOSA-N 389.431 -0.159 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H](CO)[C@H]3CCCO3)n2)c(F)c1 448382690 HFIZTRQJFZLCMT-UKRRQHHQSA-N 387.371 0.478 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@](C)(O)CN2CCOCC2)c1 467487672 XVWPBBPCMAFVSX-SFHVURJKSA-N 397.497 -0.036 30 20 GBED C[C@@H](CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)c1nn[nH]n1 478594961 NIGWSJLKRLPZGK-NSHDSACASA-N 377.430 -0.046 30 20 GBED N#Cc1ncn(CCNC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)n1 489141553 SOIGFVKBGFNELK-UHFFFAOYSA-N 397.443 -0.417 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCCN3CCOCC3)n2)cc1 490506955 ZMUUBCIHSGKMQB-UHFFFAOYSA-N 397.439 -0.025 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSCC(N)=O)CC1 494519774 NGFUJDQWJYFQBN-UHFFFAOYSA-N 382.467 -0.390 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCCS(N)(=O)=O 504225181 DESRYRFPHMZSGU-LLVKDONJSA-N 388.471 -0.590 30 20 GBED N#CCNC(=O)CNS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 505853559 PAMWSCQQKBMICX-SNVBAGLBSA-N 380.382 -0.958 30 20 GBED COCCN1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1=O 548941256 GLIWRKYCKDJAPV-UHFFFAOYSA-N 380.426 -0.547 30 20 GBED Cn1ccc(CCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 564071443 WZCKPEOBPMTUOK-QGZVFWFLSA-N 394.435 -0.132 30 20 GBED CS(=O)(=O)[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 573737981 VHAGQWWGSWPSTP-AWEZNQCLSA-N 385.467 -0.128 30 20 GBED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 576025438 GEYMXKODKZNARH-HUUCEWRRSA-N 384.440 -0.367 30 20 GBED C[C@H](N)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 591366057 SHZIEDQYXMKURU-XKQJLSEDSA-N 399.451 -0.256 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2snc(C)c2C#N)CC1 596746960 CCSRPUZVQPTNLR-OLZOCXBDSA-N 399.498 -0.033 30 20 GBED Cc1nc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)N(C)CCC#N)cn1C 726642835 JRAIUMIDHKSDFI-NSHDSACASA-N 385.446 -0.299 30 20 GBED CN1C(=O)C[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 848048060 XPEDSCFYMPRJMU-NSHDSACASA-N 378.410 -0.621 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 850605881 MLMBXUGNPUPAFT-OCCSQVGLSA-N 384.385 -0.296 30 20 GBED C#CCONC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 855603403 NJSYYUHURJGFAM-GFCCVEGCSA-N 397.409 -0.949 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCOCC1 960268318 ZOLZWDSOWAWYDH-BMFAXAFESA-N 393.484 -0.262 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2nnn(C)c2C)C1 962030800 FJHBUHWYPKADTG-FQLMCAECSA-N 377.445 -0.204 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2cc(C3CC3)nn2)C[C@@H]1O 964613848 QLEUCTUOWHFLRM-SIXLDLHFSA-N 389.456 -0.175 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)C[C@@H]1n1ccnn1 990962228 ADEXJOIOXKKOOW-SBUNQNRYSA-N 387.440 -0.370 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1c1cncn1C 993599591 ILJJFTHGOVYQRK-KQTLUZQSSA-N 389.456 -0.313 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3c(n2)OCCO3)C[C@H]1O 1025709048 DHHNSQUIEKTNBE-NGFQHRJXSA-N 389.408 -0.255 30 20 GBED N#Cc1nc(=NCc2cc(O)nc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)n2)cc[nH]1 1048456210 JIVSVYYGMOIHHS-DZJNOPEPSA-N 393.407 -0.083 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)n(CC(=O)NC)n2)C1=O 1116921987 LRDKUFQOVRLCCQ-GFCCVEGCSA-N 376.417 -0.879 30 20 GBED N#Cc1ccc(CCNC(=O)C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc1 1118839192 ZARKGQSFCFLOFD-UHFFFAOYSA-N 390.465 -0.147 30 20 GBED CN(CCOCCN=c1cc[nH]c(C#N)n1)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1127537001 SQNCYLJPSYALBG-GRDNDAEWSA-N 375.429 -0.291 30 20 GBED C[C@H](CC(=O)NCCc1nncn1C)/N=C1/NS(=O)(=O)c2ccccc21 1318860420 WJOFXRFSPQLUKS-LLVKDONJSA-N 376.442 -0.009 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC1(O)CCS(=O)(=O)CC1 1321742505 DWAVTZNCZNBBNG-UHFFFAOYSA-N 398.412 -0.168 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N[C@@H]1CCN2CCCC[C@H]12 1322255856 XAILPFZKUIRZMW-QVDVFPETSA-N 375.429 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N#Cc1nccnc1N1C[C@H]2[C@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H]2C1 1581885301 VXHYPYRQCPKOSM-RTCCRHLQSA-N 376.384 -0.031 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2O)cc1 1588370060 KUPOIQJUTYSMQU-HZPDHXFCSA-N 391.391 -0.209 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@H]1COCCN1c1nc(C)cc(-c2nn[nH]n2)n1 1588504744 LUPBFXRSENVDBY-SJCJKPOMSA-N 388.432 -0.386 30 20 GBED CC(C)(C)OC(=O)N1CCO[C@@](C(=O)O)(C(=O)N[C@H]2CCCN(O)C2=O)C1 1588693971 LZDDEFHCISPSNU-MGPLVRAMSA-N 387.389 -0.427 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)C#N)cc1)C(=O)O 1603131952 OYUMKZFMSZPAPN-NXEZZACHSA-N 375.428 -0.029 30 20 GBED N#CCCCCNC(=O)C(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1 1606347985 IGMLMYDFLRDBIU-UHFFFAOYSA-N 383.416 -0.280 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1778969121 CKXITAXUXAJTSE-DYVFJYSZSA-N 378.433 -0.924 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1781399670 DHZDHOGEQKRKDL-LBTNJELSSA-N 397.476 -0.790 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CC(N)=O)C[C@@H]21 1784477820 NYYPPSZOCKWVMW-YXMSTPNBSA-N 379.457 -0.484 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784740399 HAEOKEZIBCBFAK-PBHICJAKSA-N 388.486 -0.158 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOCC1)C2 1797708365 UBXLZHCGFVLVCK-DFGXFYAUSA-N 395.500 -0.519 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798008991 WPLHPSYCAGHACW-FMSGJZPZSA-N 391.384 -0.441 30 20 GBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)C2 1800998112 YHAMQFIYCNYLCF-CVNCSBKSSA-N 380.470 -0.045 30 20 GBED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)[C@H]1SC(=N)NC1=O)C2 1800998113 YHAMQFIYCNYLCF-KHQUWSPVSA-N 380.470 -0.045 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccn3)CCO2)C1 1833971049 IJRCGPOQDUBRJV-KXBFYZLASA-N 388.424 -0.415 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CC)NC)CCO2)C1 1835904007 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C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCNC(=O)[C@H]2c2ccccc2)c1=O 129816254 UYKHUMFCSREFOY-MRXNPFEDSA-N 397.435 -0.326 30 20 GBED C#CCN(C)C(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CCC)c1N 276994752 XFVMWCZQEKQADS-UHFFFAOYSA-N 393.444 -0.208 30 20 GBED CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCCn1cnc(C#N)n1 285503462 FLBAVYFWEUPWJX-UHFFFAOYSA-N 384.443 -0.621 30 20 GBED C=C(C)CS(=O)(=O)NCCS(=O)(=O)CCNS(=O)(=O)CC(=C)C 290156728 OGIRTHQMTMBESC-UHFFFAOYSA-N 388.533 -0.608 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(CCCO)C2)cc1 295594410 WRYRRFPSPNAWME-HNNXBMFYSA-N 380.470 -0.200 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)NCc2ccc(OC)cc2)C1=O 299522542 OYDDJVHNUMEBIV-UHFFFAOYSA-N 388.380 -0.596 30 20 GBED C[C@H](CN1CCN(C)CC1)N/C(O)=N/CC1CCN(S(C)(=O)=O)CC1 328679010 MULBVBMRNQFZJR-CQSZACIVSA-N 375.539 -0.203 30 20 GBED COc1cc(NC(=O)CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc(OC)c1 409497498 FBWQCFKEDLLNFV-CQSZACIVSA-N 384.414 -0.299 30 20 GBED Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1C#N 425235301 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C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 565239848 NAQXGNWDAQYHJY-DZGCQCFKSA-N 378.454 -0.465 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1Cc1ccon1 576086304 XAPPTTCGTBOZEH-UHFFFAOYSA-N 397.416 -0.401 30 20 GBED N#Cc1cccc(CNC(=O)CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1 578402651 DJMBFDYNTUHOIJ-UHFFFAOYSA-N 388.453 -0.096 30 20 GBED CNS(=O)(=O)CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 600665528 HMERYOHACXLYTA-NSHDSACASA-N 388.471 -0.719 30 20 GBED N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 610091291 DSGMTQXRYXGQSI-JKSUJKDBSA-N 382.486 -0.003 30 20 GBED C#CCN(C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCS(=O)(=O)C1 735374061 ALQMIRYRMZSNDC-CABCVRRESA-N 391.453 -0.271 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2cccc(C(=O)O)c2)CC1 736075668 ACYZIEUIODRQRZ-UHFFFAOYSA-N 379.438 -0.418 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](c2nn[nH]n2)C1 750809311 SHOXMXWMKIRINI-SNVBAGLBSA-N 375.414 -0.356 30 20 GBED C#CCC[C@H](O)CNS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 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NQAFYFAQBDUIPN-OSMZGAPFSA-N 382.380 -0.139 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2CC(=O)NC2=O)nc1 1005109204 PWAJPSXZIWBUQI-YUELXQCFSA-N 381.392 -0.524 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2nnc(O)nc2O)C1 1007885361 PQTTXOPZFATEBZ-DBYGNECLSA-N 389.412 -0.015 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(C)c2)C1 1024554231 QUZDXNSFRXQYPU-FPCVCCKLSA-N 375.425 -0.332 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCCCC2=O)C1 1024554417 WOCFPZHXJXMUGU-BORJPKMPSA-N 379.457 -0.332 30 20 GBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCc1ncnn1C 1111210311 ZQWQVBZTBKFWMN-TUVASFSCSA-N 376.461 -0.256 30 20 GBED COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@](O)(CC#N)C2)cc1 1118205942 RTTBGJGQGWFPFW-QGZVFWFLSA-N 395.437 -0.078 30 20 GBED N#CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cccc(F)c1 1205437042 ZOYRKPSZDVQDGH-FXUDXRNXSA-N 387.415 -0.529 30 20 GBED CN(C)C(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314640742 XXJGPVVCUCSKFF-AWEZNQCLSA-N 381.444 0.000 30 20 GBED CCOC[C@@H]1CCCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1328818963 YJZRUNQBDXZFNC-JFVSRZABSA-N 378.429 -0.096 30 20 GBED Cn1cc(N2C[C@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC2=O)cn1 1351735607 LECJXTMYCIWQPA-LLVKDONJSA-N 384.400 -0.157 30 20 GBED C#CCNC(=O)[C@H](C)N(C)[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573285183 DXAOZYHNAKJREQ-JSGCOSHPSA-N 384.444 -0.131 30 20 GBED C#CCOCCC(=O)N(Cc1cnn[nH]1)C1CCN([C@H](C)C(=O)NC)CC1 1575013994 VUVKTTMYRWRXIV-CQSZACIVSA-N 376.461 -0.228 30 20 GBED C=CCNC(=O)NC(=O)CN1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588659089 ZMTGEPZWDHIPKR-LLVKDONJSA-N 387.404 -0.989 30 20 GBED Cc1cc(-c2nn[nH]n2)nc(NC[C@H]2CN(C(=O)CSCC#N)CCO2)n1 1591897117 XRZGETBWPWQESJ-NSHDSACASA-N 389.445 -0.139 30 20 GBED N#Cc1ccc(S(=O)(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)O)cc1F 1601112751 NFMZHIGKGGZABA-CABZTGNLSA-N 396.356 -0.535 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](O)CN=c1cc[nH]cc1-c1nn[nH]n1 1602756795 XUZJIUCZEDKCQG-WFASDCNBSA-N 388.432 -0.957 30 20 GBED C[C@H](CC(=O)O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1604113662 FBNTZBWABGKQIP-CYBMUJFWSA-N 394.453 -0.156 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778257050 HDLYPJYFUPRGRO-XLIONFOSSA-N 394.516 -0.345 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781099947 ZRFWODATRFGKED-MPGHIAIKSA-N 384.546 -0.230 30 20 GBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)C2 1781693115 XEFQRCVZHQWPAA-LSIMKLPESA-N 392.481 -0.064 30 20 GBED C=CC[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1783113582 DDGCYFGDAGXOQG-APWZRJJASA-N 383.489 -0.685 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1783164455 ZOAMTSUDETWTAK-TYILLQQXSA-N 379.457 -0.475 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1783563951 FQQWOECROUOCMT-SFHVURJKSA-N 383.364 -0.739 30 20 GBED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(O)O)[C@H]3C2)c1 1783868938 JWBSVHLTGZDWIF-RCBQFDQVSA-N 389.408 -0.529 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 1784481090 GVTURUAGJMUSOK-QZWWFDLISA-N 389.456 -0.314 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nccn3)[C@H]2C1 1789968320 GATIKIBFTBKJQZ-VGWMRTNUSA-N 377.445 -0.151 30 20 GBED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1792175759 ITXFLLPBCVUOJE-VGWMRTNUSA-N 382.482 -0.043 30 20 GBED CN(C)C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1795464251 LJPQPSFFGSAVEU-OEPJXZRUSA-N 376.413 -0.624 30 20 GBED O=C(Cn1cnnn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798494135 FQHDSFGGVIFOBO-CVJBQYJBSA-N 391.432 -0.160 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2 1799389601 PPHXFXGIMBGDAN-AYDFFVQHSA-N 396.444 -0.171 30 20 GBED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1 1808425746 CRSHVSWOHZJXHV-GDBMZVCRSA-N 391.424 -0.093 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)Cc1cnccn1)CCO2 1830959684 FHTNQIVVKPTBTD-FQEVSTJZSA-N 384.436 -0.111 30 20 GBED C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1831601902 IACAGUANFPQHBM-ACJLOTCBSA-N 378.429 -0.742 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1834761138 QVCCLPQWTRBQLJ-SFHVURJKSA-N 384.396 -0.287 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CC[C@@H](N)C(N)=O)CCO3)C2)C1 1835735752 URWQVNWRSBWPTN-DNVCBOLYSA-N 394.472 -0.998 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1839811428 UQIGXKFLGNTTED-NRFANRHFSA-N 399.447 -0.104 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCN(C)CC1 268722875 JMOFAMGUEUVFKY-CQSZACIVSA-N 379.486 -0.411 30 20 GBED CCS(=O)(=O)NCCCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 290618946 QAGAZCXUYCSYLI-UHFFFAOYSA-N 388.471 -0.718 30 20 GBED O=S1(=O)CCCN(/C(O)=N/CCS(=O)(=O)N2CCSCC2)CC1 329017381 RAVNLEXNCXUUAJ-UHFFFAOYSA-N 385.533 -0.601 30 20 GBED CN1CCC[C@@H]1C(=O)N1CCN(/C(O)=N/C[C@@H]2CCCS(=O)(=O)C2)CC1 329718768 ZJCBGFLASMFBMC-LSDHHAIUSA-N 386.518 -0.036 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1[C@H]2CC[C@H]1CC(=O)NC2 349469179 ARNZKDITFQECIH-AGIUHOORSA-N 392.503 -0.767 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](N3CCNC3=O)C2)cc1 377808116 WFSVUAXPHYGMSY-AWEZNQCLSA-N 391.453 -0.147 30 20 GBED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)C1 410890076 PDIGYCSVNVCQPP-KBPBESRZSA-N 388.490 -0.497 30 20 GBED CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460613131 PVXUDSIFXOLHHI-ZDUSSCGKSA-N 381.396 0.123 30 20 GBED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C 505681745 AFELFJJWFDFMFK-UHFFFAOYSA-N 389.481 -0.465 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1CCN([C@H](C)C(=O)NCCCOC)CC1 507715156 DNEWTKIRVMJTBE-CABCVRRESA-N 383.493 -0.455 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccc(N(C)C)nc1 562834754 SPMGKJKBNHLYLW-UHFFFAOYSA-N 384.444 0.032 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)C1=O 570071123 LBOXQQMCMGANSP-RYUDHWBXSA-N 376.379 -0.016 30 20 GBED C=CCOC[C@@H](NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2)C(=O)O 578067343 ILPGXOXFIUVHDR-GFCCVEGCSA-N 375.424 -0.050 30 20 GBED N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@]2(C(N)=O)CCOC2)CC1 582367999 QQSKAPCYTXAAKT-CXAGYDPISA-N 377.470 -0.309 30 20 GBED COc1ccnc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1F 595124275 FVUBXSIBAHCCPA-UHFFFAOYSA-N 389.391 0.114 30 20 GBED N#CCc1ccc(OC[C@@H](O)CN2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 610091289 DSGMTQXRYXGQSI-HOTGVXAUSA-N 382.486 -0.003 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)nc1 726962064 NYPMXFSCDMGEMA-UHFFFAOYSA-N 396.432 -0.715 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 728532750 IWFUADPXCJYWJQ-UHFFFAOYSA-N 397.410 -0.121 30 20 GBED C#CCN1CCN(CN2C(=O)N[C@@](C)(c3cccc(-c4nn[nH]n4)c3)C2=O)CC1 735380302 FPDKRPSKLHVCGC-IBGZPJMESA-N 394.439 -0.158 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(S(C)(=O)=O)n2)cc1 747341915 IRZQWFKVXKUUMO-UHFFFAOYSA-N 383.411 -0.628 30 20 GBED C#CCN1CCN(C(=O)CNc2cc(C(=O)NCCC(N)=O)ccc2F)CC1 754306214 CLKSPRNAWZZKLT-UHFFFAOYSA-N 389.431 -0.380 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)C2=NN(CC(C)C)C(=O)CC2)CC1 767968300 MMELOMXJERALDH-UHFFFAOYSA-N 375.473 -0.096 30 20 GBED N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 793204177 JREIAOLPJMVOCP-UHFFFAOYSA-N 383.407 -0.419 30 20 GBED C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)N=c1nc[nH]n1C(C)C 848960500 CMQDQZHYZNBYCM-LBPRGKRZSA-N 377.492 -0.304 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2nnc(O)nc2O)[C@H](C)C1 949500162 XVSONRJTXXJCMK-KKOKHZNYSA-N 377.401 -0.159 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)nc2COC)C[C@@H]1O 964503324 KUBOWQLDEHAAQL-YVVXQTMVSA-N 392.456 -0.151 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)[C@@H]1C 988309105 CGZPAGQPVZSRLY-KBXIAJHMSA-N 377.445 -0.331 30 20 GBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 1000441989 PNGSKMOTRIVFEJ-JSRQGNBESA-N 382.420 -0.043 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NCCC 1109167939 LFZQSHQXVAWGFX-RDBSUJKOSA-N 377.445 -0.917 30 20 GBED CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#Cc1ccccc1 1110859999 QZRBANMWYKSXDD-ZACQAIPSSA-N 376.482 -0.187 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC(=O)N2CCc3ccccc3C2)C1=O 1117279393 DHLAAZIDPBZVAM-KRWDZBQOSA-N 398.463 -0.067 30 20 GBED CS(=O)(=O)NCCn1c(CC2CC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316361989 NMXUTSLQZOGSIT-OAHLLOKOSA-N 393.517 -0.044 30 20 GBED Cc1cc(NC(=O)C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)n(CCC#N)n1 1319920145 VEBNMFXFQXLUKB-OLZOCXBDSA-N 376.417 -0.204 30 20 GBED COC(=O)[C@@H]1CCN(C(=O)C(=O)N2CCC(C#N)(C(=O)OC)CC2)C[C@@H]1C 1328299139 BXEJDXKAONFDTQ-QWHCGFSZSA-N 379.413 -0.051 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 1330239227 DBENSWUJGPDZIU-IPYPFGDCSA-N 391.428 -0.065 30 20 GBED C=CCn1c([C@@H](C)CO)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1340489596 ATWBJPTXVOEVBY-AWEZNQCLSA-N 376.461 -0.169 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCCNC(=O)c1ccc(C)cc1 1347186044 QTECJOXOKAAETL-UHFFFAOYSA-N 381.454 -0.442 30 20 GBED CNC(=O)NC1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 1460247223 LZSKTLJVKKOGJA-UHFFFAOYSA-N 389.460 -0.103 30 20 GBED CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)CC1=O 1503681287 LTNNCDGPEZWTMY-UHFFFAOYSA-N 378.400 -0.333 30 20 GBED C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCNS(C)(=O)=O 1541104723 ZQSQUBKFBJBCPA-GFCCVEGCSA-N 383.478 -0.341 30 20 GBED C=CCn1cc(C(=O)N(C)C2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nn1 1573347255 BINGANVYKFSTBA-UHFFFAOYSA-N 382.388 -0.431 30 20 GBED C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)O)CC1 1573367873 DAVBRTDCPULPAR-UHFFFAOYSA-N 391.432 -0.384 30 20 GBED C=CCNC(=O)Cn1c([C@H]2CCCNC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1574935683 BNNHKCLFPNBGQW-UONOGXRCSA-N 396.517 -0.329 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(CC(=O)NCc3cnn[nH]3)CC2(C)C)nc1 1575021357 FTFAFTFTPQTRBO-MRXNPFEDSA-N 381.440 -0.062 30 20 GBED Cn1cc(-c2nn[nH]n2)c(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n1 1581754499 WEULDLMMVJNHGF-SDBXPKJASA-N 377.390 -0.998 30 20 GBED CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)C(C)(C)C(=O)O)c1=O 1589901596 UOCYEJAZIKEGJR-UHFFFAOYSA-N 379.369 -0.097 30 20 GBED CN1C[C@H](C(=O)O)N(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1=O 1598563311 QGVGKIGREDVZKI-GFCCVEGCSA-N 383.357 -0.510 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCN1c1cncc(-c2nn[nH]n2)n1 1602721676 SBCQKTWQOJILAO-ZFWWWQNUSA-N 381.444 -0.161 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[nH]n3)n2)C1 1602726846 UAIPNOUTRWKCRM-SJCJKPOMSA-N 386.416 -0.540 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)CCO1 1602885300 ADNJCYGSXWADHL-BZPMIXESSA-N 386.416 -0.431 30 20 GBED C[C@@H](CC(=O)N1C[C@H](O)C[C@H]1C(=O)O)/N=C1/NS(=O)(=O)c2ccccc21 1604070497 YZZRPLXPFRBPCE-UMNHJUIQSA-N 381.410 -0.450 30 20 GBED O=C(N[C@@]1(CO)CCCN(C(=O)C#CC2CC2)C1)c1ccc(-c2nn[nH]n2)[nH]1 1606640598 PHJOIKSVLTVLEY-SFHVURJKSA-N 383.412 -0.309 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)N1CCN(C)CC1 1640818317 UZNMXTQFWWIKJG-ZDUSSCGKSA-N 393.469 -0.885 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779067468 UARCXEJJZRCEEN-HXUWFJFHSA-N 388.420 -0.397 30 20 GBED CNC(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)ON=C(C)C)C[C@@H]21 1784411704 OSQBOESCDAHCTO-QPSCCSFWSA-N 382.461 -0.097 30 20 GBED CN[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1)C(=O)O 1785365394 VPZFMJQLKYGPOA-UGSOOPFHSA-N 378.429 -0.427 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)N3)[C@H]2C1 1786568763 DJVLXTMVWHINNI-YXMSTPNBSA-N 377.441 -0.717 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)OC)C[C@@H]21 1788576063 JAZCEJSWSMFWRQ-ZQDZILKHSA-N 397.472 -0.105 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(C)[nH]1)C2 1792484769 PFJWCJLCSRXJGN-OLDVJPBNSA-N 387.440 -0.220 30 20 GBED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](O)NC(=O)OCC)C2 1793568464 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SJWNYQZNWRATHS-KDOFPFPSSA-N 398.460 -0.620 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1839841013 PQELNEGGXOQNRS-BEFAXECRSA-N 393.488 -0.505 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1840041133 SSDBLNHZDFWVPM-AWEZNQCLSA-N 396.293 -0.569 30 20 GBED CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816523 YLVCLTTYSWMQAK-LJQANCHMSA-N 392.456 -0.337 30 20 GBED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)n1 1846196009 ZPZAHVGKENBDSH-UHFFFAOYSA-N 386.408 -0.422 30 20 GBED C/N=C(/NCCS(=O)(=O)NC[C@H]1CCCCO1)N1CCN(C(C)=O)CC1 262785274 MHCWBUIHICKJGT-OAHLLOKOSA-N 389.522 -0.786 30 20 GBED C/N=C(/NCCN1CCOCC1)NC[C@@H](O)CS(=O)(=O)c1cccs1 269938598 ZGTPGFZVOGMOBI-CYBMUJFWSA-N 390.531 -0.620 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CCC(=O)Nc1ccc(C#N)cc1)C2 276386655 ITPCYFKHOAOQIJ-UHFFFAOYSA-N 397.439 -0.151 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](N3CC=CC3)C2)CC1 349477816 RFVXXJUELCWHKG-CQSZACIVSA-N 388.515 -0.372 30 20 GBED C[C@@H]1C(=O)N(C)CCN1S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N 349505345 NQBXMRFUXKVBBO-GFCCVEGCSA-N 394.519 -0.567 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cccc(C#N)n2)C[C@@H]1O 349523085 LGEUTSCMYGMAQA-YPMHNXCESA-N 388.471 -0.273 30 20 GBED C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)N1CCO[C@H](C#N)C1 409556592 XOJXPHXKOBLDFL-WCQYABFASA-N 388.471 -0.204 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 409570820 QYRUPJPEAPAVOI-CYBMUJFWSA-N 382.508 -0.503 30 20 GBED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2CCCO[C@@H](CN)C2)CC1 423150082 YSKVOQQLZRELNX-AWEZNQCLSA-N 389.431 -0.078 30 20 GBED CCC[C@@H]1CNCCN1C(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 423721116 ONSQXOCFEOIMMV-OAHLLOKOSA-N 387.488 -0.151 30 20 GBED C=CCOC[C@H](NC(=O)Cn1cc(Br)c(O)nc1=O)C(=O)OC 481757493 QLJNXSRTWPEWIW-VIFPVBQESA-N 390.190 -0.428 30 20 GBED N#Cc1ncn(CCNC(=O)NCCCCN2CCN(c3ncccn3)CC2)n1 553865892 BZDPROQXEWOQQI-UHFFFAOYSA-N 398.475 -0.159 30 20 GBED N#Cc1ncn(CCNC(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)n1 554297020 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C#C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)C(C)(C)C 807535337 WWZIFUGDNWXNSV-AWEZNQCLSA-N 376.461 -0.337 30 20 GBED C=C[C@@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 814547970 KZSVTEPLIUAUAU-OAHLLOKOSA-N 382.438 -0.249 30 20 GBED C#CCn1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)cn1 816371268 XKVKECSAVXHGGF-GFCCVEGCSA-N 389.437 -0.402 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2cnn(CC(OCC)OCC)c2)CC1 820679848 RTNWKCZXILNGGN-UHFFFAOYSA-N 391.472 -0.211 30 20 GBED C#CCNC(=O)CN1CCN([C@H]2CCN(c3sccc3C(=O)O)C2=O)CC1 825620128 WVKJOQNPUWRFCY-AWEZNQCLSA-N 390.465 -0.081 30 20 GBED C#CCOCCNS(=O)(=O)c1ccc(S(=O)(=O)N(CC#C)CC#N)cc1 848928927 ATIZIXACHRUYDP-UHFFFAOYSA-N 395.462 -0.238 30 20 GBED Cc1nonc1NS(=O)(=O)CCCS(=O)(=O)N1CC[C@](F)(C#N)C1 848958686 XSRCTGUTDIQUML-NSHDSACASA-N 381.411 -0.223 30 20 GBED CN(C)C(=O)OCCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 850629981 HDIPZMPSDOKDDQ-UHFFFAOYSA-N 385.384 -0.049 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2cn(C)nc2C)C1 967273741 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C=CCOCCN1CCN(C(=O)[C@@H]2CCN(C)[C@@H]2C)[C@@H]2CS(=O)(=O)C[C@@H]21 1108473933 CPAGGFVPLXGEAJ-WCXIOVBPSA-N 385.530 -0.161 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1 1117390549 CIJCYQGZFKCBIF-UHFFFAOYSA-N 392.500 -0.407 30 20 GBED N#CCN1CCC(NC(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1 1320593829 NSACCHMJPIUPMA-AWEZNQCLSA-N 397.435 -0.066 30 20 GBED C#CCN1CCC(C(=O)OCC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 1332130762 JKZQOBJVXRNYIN-UHFFFAOYSA-N 385.486 -0.585 30 20 GBED COc1ccccc1NC(=O)[C@H](C#N)C(=O)CN1CCN(S(C)(=O)=O)CC1 1343365262 HOTPZDOXFCKACA-CYBMUJFWSA-N 394.453 -0.080 30 20 GBED N#Cc1cn(CC(=O)N2CCN(Cc3nccn3C(F)F)CC2)c(=O)nc1O 1542376522 OGUBNCUSVNARDT-UHFFFAOYSA-N 393.354 -0.243 30 20 GBED C#CCOCCC(=O)N1CCO[C@]2(CCN(C(=O)CCCc3cnn[nH]3)C2)C1 1575013072 KOBXBRLTIRYYGM-IBGZPJMESA-N 389.456 -0.003 30 20 GBED O=C(C#CC1CC1)N1CC[C@@]2(C1)CN(c1nccnc1-c1nn[nH]n1)CCO2 1581912766 XTJOBGVTIZVSAQ-GOSISDBHSA-N 380.412 -0.122 30 20 GBED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)c2cnc(-c3nn[nH]n3)c(C#N)n2)C1 1590758705 XVUWWJONLAFYCP-LLVKDONJSA-N 399.415 -0.234 30 20 GBED C#CCN1CCN(C(=O)CN(C)C[C@H](O)c2cccc(-c3nn[nH]n3)c2)CC1 1602721805 XFTVFDWKMBKHGK-KRWDZBQOSA-N 383.456 -0.391 30 20 GBED C#CCO[C@H](C)C(=O)N1CCC[C@](CO)(Nc2cnc(-c3nn[nH]n3)cn2)C1 1602725541 KVOAAUNYDMHWME-PXAZEXFGSA-N 386.416 -0.540 30 20 GBED C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C(=O)NC1CN(C(=O)OC)C1 1609055619 LTMKFVMIBLAEPF-UHFFFAOYSA-N 399.411 -0.052 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@H]3COC(=O)N[C@@H]3C2)c1 1611566625 SBNQQOCTYLVDFS-GXTWGEPZSA-N 378.410 -0.207 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778154707 YYDFWOFQTXPLDV-DNVCBOLYSA-N 393.440 -0.303 30 20 GBED CC(=O)N1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)CC1 1778359827 YIYCTOORJQNURX-KDOFPFPSSA-N 398.529 -0.701 30 20 GBED Cn1ncc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1Cl 1783566906 NGRLDMWRVQMCTF-MRXNPFEDSA-N 380.788 -0.395 30 20 GBED Cc1cnn([C@H](C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1 1791599865 LGAYTRQDHZSRIQ-UGUYLWEFSA-N 388.424 -0.180 30 20 GBED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)NC1)C2 1793353575 IMJKAGMUEZPILO-LBKYZSNHSA-N 379.457 -0.307 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/C(=O)OCC 1795087127 IBFASIJTZIPVFU-JSFJHWFLSA-N 378.425 -0.266 30 20 GBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCN(C)CC1 1795446851 RKTYEXAQXHELMJ-XEMDLRDOSA-N 376.501 -0.373 30 20 GBED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cccnc1 1796399646 UOKBGWNIZOQEIM-SLZITWOASA-N 378.498 -0.141 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H](NC)C(=O)O)C2 1797708443 ZESZDSKRDMMFFT-JTTNIQEDSA-N 397.472 -0.788 30 20 GBED NC(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798498948 YBQQYSCMFGLNHB-RFMBIHIOSA-N 381.433 -0.178 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCNC(=O)C2)C3)c1 1798695251 WOKOUXSJEDEZCP-VWPFQQQWSA-N 385.424 -0.384 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccnn1 1801343654 FCOFNNLPEAKDDH-AFIMGQEJSA-N 388.424 -0.517 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)COCCO)[C@H]1c1cccnc1 1808628980 YKRNSPFVLGSDOD-KBXCAEBGSA-N 375.381 -0.816 30 20 GBED C[C@@H](S)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814810278 NOKYBYLPPQFNSW-HLTSFMKQSA-N 385.515 -0.034 30 20 GBED COC(OC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1831035739 QYBYLOUOIINQDF-GOSISDBHSA-N 392.412 -0.425 30 20 GBED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835316928 CUHYNHVJJSKTPO-SPYBWZPUSA-N 379.457 -0.066 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836347852 RLODBFUSWLRSBE-DYVFJYSZSA-N 379.417 -0.534 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)Cc1cccnc1)CCO2 1836506129 PODFGHMHTMLDPQ-PXNSSMCTSA-N 388.468 -0.016 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)C4CC4)C3)C2)c1 1838733157 PUUIYEOAXOXABV-LJQANCHMSA-N 386.408 -0.065 30 20 GBED CO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840209389 NMRFEDDNBREYEM-SKNUIBKYSA-N 396.488 -0.051 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](N3CCN(CC)CC3)C2)C1=O 264403723 GOJOJRKQQPAVSR-AWEZNQCLSA-N 377.445 -0.798 30 20 GBED C=CCn1c(=O)/c(=C\c2cc(C#N)n(C)c2)s/c1=C(\C#N)C(=O)NCCOC 276949476 SVXUULDNIUVZNQ-BTLPPGDISA-N 397.460 -0.428 30 20 GBED COC(=O)c1cn(CC/N=C2/NC[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)nn1 283986501 LSTAWAUVCKSLSW-GFCCVEGCSA-N 393.448 -0.055 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)NCC2(C)COC2)c1C#N 349585899 ACCXQHAFIRWZSB-UHFFFAOYSA-N 391.475 -0.323 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 349619041 OWTXTALEARJFRM-QPSCCSFWSA-N 393.531 -0.027 30 20 GBED C[C@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 349622651 VZFCNAQFUVEWLO-VXGBXAGGSA-N 380.517 -0.131 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCC(C(=O)NCCN(C)C)CC1 409495879 PTJHIXANCWYODJ-UHFFFAOYSA-N 389.522 -0.517 30 20 GBED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)N[C@H]2CCNC2)CC1 419898018 ZEMQDOSEQHOTOG-LBPRGKRZSA-N 384.396 -0.067 30 20 GBED C[C@H](CN)CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 419958736 QMLLRPHQJIYNKS-CYBMUJFWSA-N 393.469 -0.898 30 20 GBED N#Cc1ccc(F)c(CS(=O)(=O)N2Cc3nnc(O)n3C[C@@H]2C(=O)O)c1 424394392 SUECRBKQIYNSGG-LLVKDONJSA-N 381.345 -0.207 30 20 GBED C[C@@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)S(N)(=O)=O 442359124 JUJAIJJTLGDLMA-VIFPVBQESA-N 394.388 -0.385 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 451669122 UGFYKAPZRFSVKU-CYBMUJFWSA-N 381.524 -0.427 30 20 GBED COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 524296724 HWUDESGILSTNEI-AWEZNQCLSA-N 382.380 -0.170 30 20 GBED Cn1cc(S(=O)(=O)NCC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cn1 557474776 RBLRCQXMGROJJL-CYBMUJFWSA-N 390.425 -0.355 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1 568533218 ORGNPELXSSQNFM-CYBMUJFWSA-N 398.466 -0.130 30 20 GBED CC(C)(CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)OCCO 571896014 XVCFSPFFXCWSCD-UHFFFAOYSA-N 391.471 -0.446 30 20 GBED Cn1cc(C[C@@H](CO)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 576882950 VDNOESHPYUHLCF-OAHLLOKOSA-N 391.453 -0.463 30 20 GBED COC[C@@H](O)CCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 583095044 VGDOYLOWYUSAAR-LBPRGKRZSA-N 391.471 -0.494 30 20 GBED CCN1CCN([C@H]2CCN(C(=O)C(=O)N3CCN(CCC#N)CC3)C2)CC1 601452960 XFOKXVFPJMMGMC-KRWDZBQOSA-N 376.505 -0.717 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 766800762 ZXPJBICRJJZUMM-UHFFFAOYSA-N 378.429 -0.106 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(N)(=O)=O)oc2C)CC1 798324152 NBVOTTZPWVGOMD-UHFFFAOYSA-N 382.442 -0.867 30 20 GBED C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CCCN(S(N)(=O)=O)C2)c1 816891307 PDLQCKCLCVDGAX-AWEZNQCLSA-N 378.454 -0.020 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCOC2)cc1 848942466 LTLDIFXHIGHNAZ-ZDUSSCGKSA-N 383.451 -0.099 30 20 GBED C#CCN1CCC[C@@H](NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 885511557 JLBSYPFYOQDFJF-OAHLLOKOSA-N 385.511 -0.018 30 20 GBED Cn1c(=O)c2cc(C(=O)OCC(=O)N[C@](C)(C#N)C3CC3)n(C)c2n(C)c1=O 920605292 HWPNJIAQVWCBPD-GOSISDBHSA-N 387.396 -0.459 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@H](OC)C2)nc1 942533644 IEQURSVGCHHLIX-BNEJOLLZSA-N 386.452 -0.262 30 20 GBED CO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 944821896 YMIJSYUAMSHRAF-UQFXTHDASA-N 388.424 -0.107 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cc2cn(CC)nn2)C[C@H]1OC 946819047 VNFHYBNOSJYSCP-LVQVYYBASA-N 377.445 -0.226 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccnc(OC)n2)C1 969282531 WXLOIENMHQFFPV-ATGSNQNLSA-N 376.413 -0.232 30 20 GBED C=CCCn1cc(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@H]2C)nn1 989991360 AECNJQOBGOXNEZ-PAPYEOQZSA-N 390.444 -0.394 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(O)n[nH]2)C[C@@H]1n1ccnn1 1069929568 KFLUMBYOBQUAIX-MQYQWHSLSA-N 388.432 -0.375 30 20 GBED C=CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCN1C(=O)CCC1=O 1109499252 OWGXPEZZYRKKIA-XGUBFFRZSA-N 376.457 -0.062 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)nn1 1118178555 QOJDJJPOONGPIS-UONOGXRCSA-N 392.460 -0.530 30 20 GBED C=CCn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@@]1(C)CNC(=O)C1 1121596633 UERBVFYUTNWTML-GOSISDBHSA-N 375.477 -0.500 30 20 GBED CC#CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CN(C)C[C@@H](C)O3)n2)O1 1130789982 BGFLCFIRQDYOTP-QKPAOTATSA-N 390.488 -0.027 30 20 GBED C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)C1 1196137533 JXSZPKGYZWFNET-WCXIOVBPSA-N 381.473 -0.480 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(=O)NCCC)C[C@H]1OC 1213467923 QMWUATQUFFWCKV-APIJFGDWSA-N 382.461 -0.371 30 20 GBED CN1CCN(C(=O)C2CCN(C(=O)C(=O)NCC3(CC#N)CC3)CC2)CC1 1261227516 WXOLSXSJQWYRGZ-UHFFFAOYSA-N 375.473 -0.191 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@@H](C)[C@@H](CO)C1 1261770623 XPBZXEQHCRFYEE-QLFBSQMISA-N 386.456 -0.138 30 20 GBED N#CCN1CCC(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)CC1 1321682744 FTZFOYTXZYAMKC-UHFFFAOYSA-N 387.425 -0.184 30 20 GBED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC(C#N)C1 1324358333 AXNVBQNVJIWRDP-AWEZNQCLSA-N 385.467 -0.250 30 20 GBED N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)o1 1325128910 PZTXVZYYEFVHIR-GFCCVEGCSA-N 387.439 -0.574 30 20 GBED CC(C)[C@H](C#N)N1CCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1325168603 PQRXMOGTTIWDBF-KBPBESRZSA-N 385.490 -0.835 30 20 GBED COCCn1c(CN2CCC[C@H](O)C2)nnc1N1CCN(CCC#N)CC1 1342902095 VWCCGQUASPWSGD-INIZCTEOSA-N 377.493 -0.083 30 20 GBED C=CCn1cnnc1S(=O)(=O)[C@@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 1344744122 MALZNSQFTHLXIO-RYUDHWBXSA-N 390.487 -0.338 30 20 GBED N#Cc1cn(CC(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)c(=O)nc1O 1464112453 QTKBEUREMFKQII-UHFFFAOYSA-N 387.318 -0.262 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2cnn[nH]2)nc1 1575004633 HHCCOMJJQCNPHT-LBPRGKRZSA-N 383.412 -0.417 30 20 GBED COCC#CCN1CC[C@@H](N2CCN(C(=O)[C@H](C)OCc3cnn[nH]3)CC2)C1 1576953477 OBRASPZJQOEGGJ-FUHWJXTLSA-N 390.488 -0.422 30 20 GBED N#C[C@H]1CN(c2nnc(C3CCNCC3)n2CC(=O)NCC(F)F)CCO1 1580042608 XHPWHNJIJSUBHP-LBPRGKRZSA-N 383.403 -0.145 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[nH]n2)C[C@H]1C 1588351527 XWELGLUZFCBFCH-MCIONIFRSA-N 381.444 -0.305 30 20 GBED C#CCNC(=O)CN[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588354778 ZAROAGUXFNBRRW-SWLSCSKDSA-N 384.444 -0.083 30 20 GBED C=C(C)C[C@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588406508 VIQXBBWIBZOGPW-WCQYABFASA-N 394.457 -0.023 30 20 GBED CCS(=O)(=O)NCCNC(=O)[C@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1590847205 KLKCGKHMXCMMIS-ZDUSSCGKSA-N 377.430 -0.396 30 20 GBED N#CCNCc1cn([C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 1606350072 OMCYTAWOLTUODS-CYBMUJFWSA-N 381.404 -0.123 30 20 GBED N#Cc1cn(CC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)c(=O)nc1O 1630423283 NIHZNHKNWJLKLT-UHFFFAOYSA-N 380.426 -0.220 30 20 GBED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1778951496 VFUKOYPATRJXCS-IFXJQAMLSA-N 376.457 -0.063 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779086105 YZMGYEWVUNCZLR-KBXCAEBGSA-N 380.445 -0.983 30 20 GBED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1ccccc1=O 1779272898 YCZQCWHHMXFTPN-IFXJQAMLSA-N 387.392 -0.673 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1779311522 WFHFMRCIXDORJX-ALKREAHSSA-N 395.456 -0.994 30 20 GBED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781342920 ONNOZNSOZPHKEA-KUHUBIRLSA-N 395.456 -0.275 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1781400380 LJJVLBWRXCBZRM-WMLDXEAASA-N 378.433 -0.091 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=S)NCC)C2)C1 1782640773 VTMYSFNXXWHAKY-KBXCAEBGSA-N 396.513 -0.661 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1784034921 GFAICLHBFDSEBZ-SIFCLUCFSA-N 393.484 -0.084 30 20 GBED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1786705759 AWONADLKIPGNKH-AJNGGQMLSA-N 383.470 -0.153 30 20 GBED N#CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=N)N)[C@H]3C2)cc1 1786808149 AZYVIXZYSBVUGZ-ULQDDVLXSA-N 398.467 -0.171 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)COC 1793434905 BDLOUXKYSQLXKT-AXJMOHLESA-N 379.457 -0.283 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(N(C)C)o1 1794601425 QTHQQIRZZOYEDN-AYDFFVQHSA-N 390.440 -0.018 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1 1831392014 HQDMUNYZEKBEOR-RDTXWAMCSA-N 376.413 -0.482 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1831485260 AHKYTLYLDZLOOO-SIIHOXLZSA-N 399.513 -0.324 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1832420221 QISFDKSNPNAMRU-LJQANCHMSA-N 392.456 -0.241 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1834756268 REOKHGXPYJUYIH-KRWDZBQOSA-N 393.375 -0.234 30 20 GBED CC[S@](=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1837245780 DJJUNUCNMFLGII-CCLKGCNTSA-N 392.543 -0.080 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CNC(=O)N(C)C)C1 1841133288 SIHWGJLDQBJAOE-SREVYHEPSA-N 377.445 -0.681 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)NC(=O)OCC)C2 1844237511 VTQCLRPHURLSGA-CHWSQXEVSA-N 383.445 -0.173 30 20 GBED CC/N=C(/NC[C@@H]1CN2CCN1CC2)N1CCN(CC(=O)N2CCCC2)CC1 262766667 GIKSEGGOMWPYPL-GOSISDBHSA-N 391.564 -0.808 30 20 GBED N#Cc1cc(NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)ccc1Cl 267317433 ANCKWHNXBVOIMI-UHFFFAOYSA-N 399.860 -0.417 30 20 GBED C#Cc1cccc(NC(=O)CNC(=O)CN2CCN(S(C)(=O)=O)CC2)c1 268323080 USWHNACXTAGKAW-UHFFFAOYSA-N 378.454 -0.700 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCn3ccnc3)C2=O)cc1 283226281 BQZDNFCPBHGLGE-INIZCTEOSA-N 380.408 -0.212 30 20 GBED CC(C)N1CC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1=O 287062024 QVTXZLDXUCOQBF-HNNXBMFYSA-N 384.440 -0.273 30 20 GBED 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C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncc(C#N)s2)C[C@@H]1O 594637104 MAFUUVQGGRQKHN-KOLCDFICSA-N 394.500 -0.211 30 20 GBED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2cccs2)c1=O 727163256 RROHQRFABVSVSC-UHFFFAOYSA-N 380.476 -0.453 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)CCc2ccc(C)cc2)CC1 728530365 ASKQFQFIKYVQPZ-UHFFFAOYSA-N 384.480 -0.063 30 20 GBED C#CCNC(=O)C1CCN(C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 737821570 UNCSXMGLIPCSKJ-UHFFFAOYSA-N 397.435 -0.458 30 20 GBED CC(=O)Nc1ccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 781596887 OKNODUGTJJLKSD-UHFFFAOYSA-N 393.425 -0.255 30 20 GBED C[C@](C#N)(NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C1CC1 786365358 NDMCFFCJGJCYIC-UGGPJSSFSA-N 389.408 -0.109 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 786366742 RIQHXIVQKQHEKF-DMTCVQMQSA-N 379.369 -0.906 30 20 GBED CCOC(=O)CON=C(C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1cc[nH]n1 789997242 FAVRHLRCCLHPFC-AAEUAGOBSA-N 395.416 -0.555 30 20 GBED 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30 20 GBED CN(CCS(N)(=O)=O)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1648222083 KDTAYFJFAJJAGL-INIZCTEOSA-N 397.476 -0.245 30 20 GBED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCN(CCC#N)CC3)cnc21 1656511377 IXRTVGYYXHAXHL-UHFFFAOYSA-N 378.414 -0.746 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1781400619 OBNPXLAVSPCPFS-RDTXWAMCSA-N 394.476 -0.543 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3cccn3cn1)CCO2 1783561928 QOSSICCFIKKVSV-IBGZPJMESA-N 382.376 -0.134 30 20 GBED COCc1oncc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783562025 YRZNPIKODTUDJL-QGZVFWFLSA-N 377.353 -0.648 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1783562679 FDPPJHHFVUVQAF-SFHVURJKSA-N 390.348 -0.665 30 20 GBED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4sccn34)C[C@@H]21 1790792777 REYKNLMLBMWRJA-OBJOEFQTSA-N 386.433 -0.018 30 20 GBED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1792634849 UQTMZLSSFAHHRQ-PEGIJTEDSA-N 390.362 -0.196 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCC1=O)C2 1793342666 YPHPUKMZQSUXQP-ZXFNITATSA-N 377.441 -0.763 30 20 GBED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2 1793381685 KADUXKLSIUUQSL-NEBZKDRISA-N 386.518 -0.198 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCOC1=O)C2 1797703929 HXFNXPBJSMPPQH-HLPPOEQASA-N 395.456 -0.399 30 20 GBED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cnnn2)C3)cc1 1799641709 DDCYIBMYPHKTBJ-ALXJQNPVSA-N 395.423 -0.357 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1810248734 SCOCACAJUZLKCZ-ILXRZTDVSA-N 377.441 -0.029 30 20 GBED CCNC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835356687 GPPIAZUPRHACCC-KDOFPFPSSA-N 395.460 -0.546 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836165849 DRUIYQVKGSGSMU-QFBILLFUSA-N 392.456 -0.069 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1837693419 QSHDLXVBYPQTAI-FOIQADDNSA-N 389.452 -0.453 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1838331627 ISDIRSZZBJBFMS-HXUWFJFHSA-N 385.420 -0.197 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1838795953 UTKUMDTZONKHLV-FQEVSTJZSA-N 395.419 -0.030 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)N(C)CC)CCO2)C1 1839637748 RZWLUKHXDFYMLS-SQGPQFPESA-N 395.500 -0.179 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2 1839881414 VZGIGHUEQPDRFY-BEFAXECRSA-N 379.457 -0.229 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1840160901 XHNJTYFUCONMKM-QLJPJBMISA-N 398.441 -0.724 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840606053 MXLBQGSPNOBNQH-BAPGRXHISA-N 392.452 -0.627 30 20 GBED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815705 GAOSPOMRCFBXOC-IFXJQAMLSA-N 392.456 -0.339 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1841599442 QWPNRJMRHRXMSJ-ZDUSSCGKSA-N 385.424 -0.518 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](COC)NC(C)=O 1847262442 SPUGARSSTKHHPP-MXPMBAMNSA-N 392.456 -0.802 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCN(C(C)=O)CC1 1847802462 YDSDFPQLQQVOJD-SZMVWBNQSA-N 390.484 -0.609 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2cccnc2N2CCOCC2)CC1 264813233 CFLJKQISTPYRIW-UHFFFAOYSA-N 385.468 -0.185 30 20 GBED CCN1CCCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1=O 297940617 UFHRQMUCXGXLRL-UHFFFAOYSA-N 384.440 -0.317 30 20 GBED CN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N(CC#N)CC#N)CC1 349446792 APASFYPGQMPJQD-UHFFFAOYSA-N 397.482 -0.339 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC(=O)N(CC2CC2)C1 349449453 KUANWZCNIVGRKU-UHFFFAOYSA-N 398.466 -0.311 30 20 GBED C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)N[C@@]1(C#N)CC1(C)C 349456191 DFNLVPRYWABWDY-YRGRVCCFSA-N 379.504 -0.227 30 20 GBED Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 431988653 YHJWLJJVTVHABK-UHFFFAOYSA-N 399.451 -0.192 30 20 GBED Cn1c(NCCC(=O)N2CCN(c3ccccn3)CC2)c(C#N)c(=O)n(C)c1=O 498651667 AKKNMXFZACTIBU-UHFFFAOYSA-N 397.439 -0.499 30 20 GBED C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 525989442 PQCFDSRMCLREQS-UHFFFAOYSA-N 387.487 -0.230 30 20 GBED Cn1cc(C#N)c(=O)n(CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)c1=O 536504402 YVUGVTLAFFGJEB-UHFFFAOYSA-N 386.759 -0.314 30 20 GBED COC(=O)C[C@@]1(NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCOC1 567509121 XLAIYQKPDKDWOE-SFHVURJKSA-N 398.379 -0.084 30 20 GBED C[C@H](N)[C@@H]1CN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCO1 591578202 VEQSWMZPXQUUIS-JQHSSLGASA-N 385.468 -0.202 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@H]1CCOC1 594634618 VPVLRFBXNPAMRU-LBPRGKRZSA-N 384.439 -0.208 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)CCO1 599501731 JGOMYKMURJRIQM-LBPRGKRZSA-N 382.398 -0.545 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CC(N)=O 608912160 OFTIULMZHIIHHY-UHFFFAOYSA-N 388.474 -0.430 30 20 GBED C#CCNC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)CC1 747736483 NLEZLAULARMLSY-UHFFFAOYSA-N 378.454 -0.262 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2cccc(OC)c2)CC1 761027954 CHJVQPGLOGHBFE-UHFFFAOYSA-N 380.470 -0.603 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 777292311 TZSKSVPLZMUFTP-UHFFFAOYSA-N 384.414 -0.775 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc3ncc(C)cn3n2)C[C@H]1O 1025711342 NXVWLELQEDWVAX-SYQHCUMBSA-N 386.412 -0.675 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1nc[nH]n1 1111261615 YJPXXDLTVCFGDU-LPWJVIDDSA-N 375.433 -0.531 30 20 GBED CN(CCNS(C)(=O)=O)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1116474925 NXPZXYHDVTVAGC-CQSZACIVSA-N 399.542 -0.062 30 20 GBED C#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)n1 1130223137 NTLOVJQVMDRTAG-WNZSCWOMSA-N 389.456 -0.432 30 20 GBED N#Cc1cn(CC(=O)NCc2cnc(N3CCOCC3)c(F)c2)c(=O)nc1O 1153798445 YIJCGFSCGSNABC-UHFFFAOYSA-N 388.359 -0.492 30 20 GBED C=C(C)CN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 1194053977 GFTXOHWYVCNYDM-QBPKDAKJSA-N 382.505 -0.709 30 20 GBED N#CCN1CCC(NC(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1 1320593835 NSACCHMJPIUPMA-CQSZACIVSA-N 397.435 -0.066 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccn(C2CCN(C)CC2)n1 1321357766 FQKXPCAPUMWQRU-UHFFFAOYSA-N 383.474 -0.195 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O 1323632835 OJIIMHFHMZTJAS-SNVBAGLBSA-N 399.391 -0.627 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCCS(=O)(=O)C1 1324328398 ZZAWSZGDRKYZQQ-NSHDSACASA-N 385.467 -0.334 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@@H]1CCCN(C)C1=O 1330396501 MSLZCVKYLIQGDV-CHWSQXEVSA-N 385.428 -0.878 30 20 GBED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)cc1 1332595143 GMXYTIRZFABBEK-PWSUYJOCSA-N 378.410 -0.342 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN(c3cccnn3)CC2)C1=O 1342751077 KGPMGDWSPNUMIQ-HNNXBMFYSA-N 386.456 -0.193 30 20 GBED N#C[C@@H](C(=O)NC1CC1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1343291761 NTECQALOCJTQFD-CQSZACIVSA-N 390.421 -0.592 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N(C)Cc1cn(C)nn1 1346966289 GWISBRRDKWVCEI-LBPRGKRZSA-N 383.416 -0.828 30 20 GBED C=CCCCCn1nnnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1352303788 FIUBXHTWFUMOBQ-UHFFFAOYSA-N 377.449 -0.463 30 20 GBED C#CCN1CCC(c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CC)CC1 1356396049 JGMIJZONDSOUAC-OAHLLOKOSA-N 385.472 -0.742 30 20 GBED CN1CCN(C[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)c2ccccc2)CC1 1443159302 KITAQSWLQKGRFP-KRWDZBQOSA-N 396.451 -0.075 30 20 GBED C=CCOCC(=O)N[C@@H]1CCN(c2cc(-c3nn[nH]n3)nc(CC)n2)C[C@H]1O 1573342803 DWRKGMXOWAFJQX-DGCLKSJQSA-N 388.432 -0.523 30 20 GBED C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N)[C@@H]1CCS(=O)(=O)C1 1574672758 FRDJPXJXQCZDKO-CHWSQXEVSA-N 382.490 -0.610 30 20 GBED N#Cc1nc(N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cnc1-c1nn[nH]n1 1592704837 QIPXUWJOCZDLOW-SNVBAGLBSA-N 389.445 -0.173 30 20 GBED CO[C@@]1(CNS(=O)(=O)c2ccc(C#N)cc2C(=O)O)CCS(=O)(=O)C1 1599091047 ZUEHWCKPFILKAS-CQSZACIVSA-N 388.423 -0.262 30 20 GBED C=C(C)[C@H](CC(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1O)OCC 1602753713 SDUSQDLWETYGCN-MCIONIFRSA-N 388.432 -0.306 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(C)nn(CCC(=O)O)c2C)C1=O 1602894797 YYJRHXOAPWKATM-UHFFFAOYSA-N 377.357 -0.110 30 20 GBED N#Cc1cc(C(=O)N2CCO[C@H](CNc3cnc(-c4nn[nH]n4)cn3)C2)c[nH]1 1606360253 QYTXPRZOPAEIIA-GFCCVEGCSA-N 380.372 -0.190 30 20 GBED CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1695505050 WIXLEDVWMCGESC-NEPJUHHUSA-N 385.494 -0.038 30 20 GBED Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1742835630 PFKCTBJTZDKFNS-GOEBONIOSA-N 380.474 -0.687 30 20 GBED COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1nncn1C 1771113685 ZZESLGYILANJFE-UHFFFAOYSA-N 387.448 -0.056 30 20 GBED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 1779139428 SNQMKLGOBASORU-HBRDKIMXSA-N 399.407 -0.075 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780953112 CRAMACRNBQRJAZ-LJQANCHMSA-N 397.391 -0.810 30 20 GBED C[C@@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1781248246 UOTWDENSEVRFDS-ZKWKGFFBSA-N 379.461 -0.578 30 20 GBED C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782013337 GDPUPTLFKHUYFT-PJIJBLCYSA-N 391.424 -0.721 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1783563959 FVQHVJUXRLMDJM-GOSISDBHSA-N 383.364 -0.511 30 20 GBED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cnnn4)C[C@@H]32)c1 1789507793 OHHUVTVDXAZIHD-ULQDDVLXSA-N 395.423 -0.162 30 20 GBED Cc1nccn1[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791707479 DVUKTSAXAVTCJM-OEAJRASXSA-N 388.424 -0.180 30 20 GBED CN(C)c1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)o1 1800773673 QNMOGTZHZYERLP-QHBPRCKVSA-N 376.369 -0.968 30 20 GBED N#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1817124360 MVKSMPYAYKBJHD-OAHLLOKOSA-N 392.460 -0.008 30 20 GBED CS(=O)(=O)CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1826629743 INKMZTVTAUPTQU-AWEZNQCLSA-N 384.454 -0.261 30 20 GBED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1830334573 IQNLUCXFIIFFKU-SUYBPPKGSA-N 387.502 -0.324 30 20 GBED COC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831212880 IGAOCRXDQYIDAR-IBGZPJMESA-N 378.425 -0.191 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3)C2)C1 1831393585 YJNVPMWYZDSYDD-RDTXWAMCSA-N 377.397 -0.217 30 20 GBED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1832285717 KYLWWGDJYRAHRV-HXUWFJFHSA-N 391.468 -0.275 30 20 GBED C[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)n1ccnn1 1835346826 WBUIDAOTVFRRTE-KSSFIOAISA-N 388.428 -0.401 30 20 GBED C[C@@H](C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)n1cnnn1 1846646235 DRNPNNZUZFLCAO-IRQUKBNDSA-N 391.432 -0.034 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC(=O)NCCC#N)c1 10773342 HHZOKQRBWORUHU-UHFFFAOYSA-N 398.441 -0.548 30 20 GBED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ncn(CC(=O)NC)n1)C(C)C 272945271 POXSRTLKKOLSLV-AWEZNQCLSA-N 391.476 -0.223 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N(C)CCN2CCOC(C)(C)C2)C1=O 297742899 GZFQJZCYUAUIPR-HNNXBMFYSA-N 380.489 -0.199 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N[C@H](C(=O)OC)[C@H](C)CC)c1=O 299504944 HKUFNWHNRLMDDJ-OCCSQVGLSA-N 394.428 -0.752 30 20 GBED C[C@@H](C(O)=N/C(O)=N/C1CC1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 328760851 XNYGGUGEMLMVNW-NSHDSACASA-N 379.417 -0.299 30 20 GBED Cn1ccc(N2CCC[C@@H](/N=C(/O)N3CCc4nn(C)c(=O)cc4C3)C2=O)n1 329801789 JXXGQORGMBJPFY-CQSZACIVSA-N 385.428 -0.019 30 20 GBED C[C@H](/N=C(/O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)C(=O)N(C)C 331105408 GFBAIJVNPOEIBQ-LBPRGKRZSA-N 383.474 -0.153 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCOC2)nc1 349607265 UMQUTLDGXHMRFC-ZDUSSCGKSA-N 388.471 0.041 30 20 GBED Cc1c(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C)(C#N)C2)nnn1C 349619644 PJZLMHSQFUROFS-UHFFFAOYSA-N 390.491 -0.179 30 20 GBED CN(C)C[C@H](O)COc1ccc(NS(=O)(=O)N2CCO[C@H](C#N)C2)cc1 410136171 QNLADENHHWSEGA-GOEBONIOSA-N 384.458 -0.131 30 20 GBED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)[C@@H](C)C#N)CC2)C[C@@H](C)O1 416377049 WTFDHNISVIAZON-XQQFMLRXSA-N 380.492 -0.800 30 20 GBED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 437720740 NHACLBRQOKBPBB-UONOGXRCSA-N 390.444 0.125 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)NCc1ccc(C#N)cc1 444611954 RCRNABAJNDLEKF-MRXNPFEDSA-N 388.424 -0.445 30 20 GBED COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 509352420 YWNGKCYUJWOORE-CABCVRRESA-N 389.522 -0.376 30 20 GBED COc1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)nn1 560196750 IOUMPQLPQCSSKS-UHFFFAOYSA-N 384.400 -0.314 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C 588905509 HYNCGROQUCWJIG-QWHCGFSZSA-N 381.524 -0.284 30 20 GBED CC1(C)CN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)C[C@H](CO)O1 591545760 ZECCAGFUFGEBAP-OAHLLOKOSA-N 387.440 -0.400 30 20 GBED CCc1ccc(NC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)cc1S(N)(=O)=O 592301624 MFXNHNDUFFHDJT-INIZCTEOSA-N 380.426 -0.288 30 20 GBED C=CCn1c(-c2cn(C)nn2)nnc1N1CCN(c2nccn(C)c2=O)CC1 669040273 LPUQLZYNWIIATM-UHFFFAOYSA-N 382.432 -0.320 30 20 GBED C#CCNC(=O)CN1C(=O)N[C@@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O 749012264 UGGSHCHJKNNJJJ-MRXNPFEDSA-N 379.369 -0.500 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2ccnc3c(C(=O)OCC)cnn23)CC1 764142087 HTQBMIOGQNZPRW-UHFFFAOYSA-N 398.423 -0.587 30 20 GBED N#Cc1ncn(CCNC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)n1 804622674 KZMIJTRIQDSNML-UHFFFAOYSA-N 386.393 -0.113 30 20 GBED COc1cc(C=Nn2c(O)nnc2O)ccc1OCC(=O)N1CCOCC1 814232431 WFTXVSIQHLGYRX-UHFFFAOYSA-N 377.357 -0.182 30 20 GBED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2cccc(C(=O)O)c2)c1=O 820530396 IIXMWVXLHUFOGM-UHFFFAOYSA-N 382.401 -0.277 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cnn(CC)n2)c1=O 839238151 DUTJWKYFZMTMMR-UHFFFAOYSA-N 384.465 -0.426 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc3c(cnn3C)c2)C1 970097446 QMHUVKJCBRSHDX-WCVJEAGWSA-N 385.424 -0.139 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 1022770396 COQWPSAKEYRIPD-DGAVXFQQSA-N 376.413 -0.811 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2noc3c2COCC3)C1 1023995608 XVTSOEKAWWZNOT-ZRJCITRHSA-N 377.397 -0.360 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@@H](C)NC(N)=O 1110557741 WEZFCTVFKVBCLW-LPWJVIDDSA-N 380.449 -0.833 30 20 GBED CS(=O)(=O)CC[C@@H]1NC(=O)N(CC(=O)N(CC#N)c2ccccc2)C1=O 1115980916 AFYZJFYYCWKXKG-ZDUSSCGKSA-N 378.410 -0.102 30 20 GBED C=CCN(CC=C)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1220034210 OVVVPNLZUVQNOI-WZSRKYPNSA-N 375.469 -0.228 30 20 GBED CS(=O)(=O)CCN1CCC(NC(=O)C(=O)NCC#Cc2ccccc2)CC1 1256943319 DBLLGIQOZZZZMX-UHFFFAOYSA-N 391.493 -0.221 30 20 GBED Cc1nc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCCC#N)CC2)cn1C 1322197736 QZBZUNJRXJYMQB-UHFFFAOYSA-N 397.457 -0.298 30 20 GBED COC[C@H](CNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)OC 1323747169 FVCXMELOKBQCNI-HNNXBMFYSA-N 375.429 -0.184 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCC1(NS(C)(=O)=O)CCCCC1)[C@@H]1CCCO1 1325452732 QDHZDSUGZQPUCN-KGLIPLIRSA-N 385.486 -0.348 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCCNC(=O)OC(C)(C)C)CC1 1325481818 AFEPCKJJRBQFIC-UHFFFAOYSA-N 380.445 -0.385 30 20 GBED C[C@@]1(C#N)CCCN(C(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C1 1325557769 YOTALVDPBGSFAB-IBGZPJMESA-N 375.473 -0.095 30 20 GBED COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 1327750248 YXPONSUKRBEKJM-CHWSQXEVSA-N 378.454 -0.123 30 20 GBED Cn1cccc1C(=O)N1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1335585632 SMIXQMYGJNITDG-INIZCTEOSA-N 398.467 -0.492 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCC(NS(=O)(=O)CCC)CC1)[C@@H]1CCCO1 1343081109 SHYGVUQDQDPXTK-GJZGRUSLSA-N 385.486 -0.396 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(CC(=O)O)CC2)cc1 1573327140 FTIXJFNKQGGBLJ-UHFFFAOYSA-N 379.438 -0.123 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3[C@H](C)C(=O)NCc2cnn[nH]2)nn1 1575112128 PDTQCPAHDVSMOI-MEWXFMAXSA-N 399.459 -0.378 30 20 GBED C=CCOCC(=O)N1CC2(C[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CO2)C1 1588667371 XLQKWAVVVXYGOG-NSHDSACASA-N 387.400 -0.503 30 20 GBED COC(=O)CCN(CC#N)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1OC 1591265548 ZEXDNNKMDLKWNM-UHFFFAOYSA-N 380.386 -0.047 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC1(C(=O)O)CCC(C(=O)OC)CC1 1599235661 JRBWEEBEVAQMBH-UHFFFAOYSA-N 391.446 -0.131 30 20 GBED C#CC[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)O 1602687672 SUHJUTQRTIMZGA-CQSZACIVSA-N 381.410 -0.094 30 20 GBED C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cnn(CC(=O)O)c2)n1 1602738103 JKUMBURMYIVBFZ-UHFFFAOYSA-N 381.414 -0.365 30 20 GBED C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(=O)O)C1 1602901332 FRRFWRCMDNOOSK-GFCCVEGCSA-N 376.417 -0.273 30 20 GBED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](O)NC(=O)OCC)C3)C2)C1 1778779923 XTTJQHUBOXCKQU-KSSFIOAISA-N 381.429 -0.153 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1778973495 GLEWBOJDRUSMNB-SCLBCKFNSA-N 383.445 -0.255 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)cco1)C2 1782010615 DWJFRGKYMLVSCY-DNVCBOLYSA-N 388.376 -0.145 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)O3)C[C@@H]21 1784500507 SKVOVGUUOSSQHB-QTVXIADOSA-N 381.429 -0.334 30 20 GBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1795417118 NEOJGRXOBLALLX-JLVBRIDZSA-N 385.424 -0.295 30 20 GBED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@@H](N)C(N)=O 1795632216 OXBUKDLNXRVAOT-BASYENTBSA-N 396.488 -0.848 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)OC)C2 1799305508 NMVGJCBMKVQJEK-YWVIFJGQSA-N 397.428 -0.559 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc[nH]n1 1800283964 YZTWZZAXKDPXTQ-CNWIRUGESA-N 387.440 -0.600 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc(F)cc1F)C2 1800774053 NSWUQLKQIMUXPW-KEODLESXSA-N 379.319 -0.349 30 20 GBED Cn1cc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)ccc2n1 1800779500 MHPVNFZMFMTZCI-CCWDJLKJSA-N 396.403 -0.136 30 20 GBED C=CCC(=O)N1CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]1c1cccnc1 1812716394 OKXIRXWDJAJLKH-PXNSSMCTSA-N 390.484 -0.050 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832252311 WYAGBZHVGHWASP-ZDUSSCGKSA-N 396.293 -0.569 30 20 GBED CN(CC(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1)C(=O)C(=O)O 1834400395 HKWOVAGKMQNQLJ-UHFFFAOYSA-N 393.444 -0.985 30 20 GBED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835566945 WRRYSVQQMFRFKL-LJQANCHMSA-N 395.504 -0.082 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc[nH]n4)C3)C2)c1 1838733148 PKWRQVBKDUTSGE-GOSISDBHSA-N 384.396 -0.007 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1839806774 DBXFCYPIHZHCJG-SFHVURJKSA-N 376.413 -0.175 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1839806819 ZUMPWACCRCSXBN-IBGZPJMESA-N 383.408 -0.479 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C(N)=O)C2)C1 1840174326 WTANCXYGXSGOKZ-SFHVURJKSA-N 389.412 -0.778 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](COC)NC(C)=O)C1 1844385375 QRSUQCPKWUEQJK-CABCVRRESA-N 381.473 -0.086 30 20 GBED CNS(=O)(=O)CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 267730235 WXAFESOFCIXSPH-LGMDPLHJSA-N 388.471 -0.013 30 20 GBED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C#Cc1ccc2c(c1)OCO2 268514013 DFNIGSJECQVZBT-CYBMUJFWSA-N 378.406 -0.472 30 20 GBED C=CCNC(=O)CNc1nc(NCCOC)nc(NCC(=O)NCC=C)n1 271930248 HSZUCJUGQAVKKV-UHFFFAOYSA-N 378.437 -0.642 30 20 GBED CCn1c(=O)/c(=C/c2c(C)cnn2C)s/c1=C(\C#N)C(=O)N1CCOCC1 285088141 IMXXZKHWNBZZAC-BEHLRTARSA-N 387.465 -0.667 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)C1=O 297728256 GEWAEKIYVDVGTM-CQSZACIVSA-N 390.419 -0.490 30 20 GBED CN(C1(C#N)CCC1)S(=O)(=O)CCCS(=O)(=O)N1CC(O)(CC#N)C1 349457921 KTZNNYJPJULVKP-UHFFFAOYSA-N 390.487 -0.625 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CCN(C)[C@H](C)[C@@H]1C 349600959 DGOWVETZOIUXOP-MJBXVCDLSA-N 380.536 -0.048 30 20 GBED Cc1nc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)ccc1C#N 349602150 PQLJJGYWDMPQRC-UHFFFAOYSA-N 397.482 0.569 30 20 GBED CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2cccnc2C#N)(C(N)=O)C1 376343732 KMAKHLRSRUQCSR-UHFFFAOYSA-N 381.414 -0.294 30 20 GBED CC(C)CS(=O)(=O)N1CCC(NS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409491886 OGTLBOOFUGIBDP-CQSZACIVSA-N 394.519 -0.505 30 20 GBED CC(=O)N[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 422108250 UFLAKLZLUOCUDX-GOSISDBHSA-N 383.452 -0.061 30 20 GBED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCNc2cnccn2)cn1 460617203 HDBWXCIPCCLGND-UHFFFAOYSA-N 377.368 0.096 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)C(=O)N1CCOCC1 481487190 ASWWCKSMMMZPEU-CHWSQXEVSA-N 394.453 -0.411 30 20 GBED COC[C@](C)(NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(=O)OC 541582822 ZBVPURDMDXBKQA-KRWDZBQOSA-N 379.417 -0.329 30 20 GBED CC(C)(C#N)NS(=O)(=O)c1cccc(S(=O)(=O)N2CC(O)(CC#N)C2)c1 578453357 PUBHSKOJABAARI-UHFFFAOYSA-N 398.466 -0.084 30 20 GBED CC(C)N1CCN(S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)CC1=O 579373807 GLOIMYHLXKTZHX-UHFFFAOYSA-N 394.519 -0.520 30 20 GBED N#C[C@H]1COCCN1C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 594305840 OKAPROVRXOKNSS-GUTXKFCHSA-N 383.401 -0.299 30 20 GBED CSc1nc(O)c(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1C#N 604467993 BXLOVSKMPCJKJL-UHFFFAOYSA-N 399.498 -0.312 30 20 GBED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)cc1 608911620 MAOGMQJGFJTXPJ-UHFFFAOYSA-N 398.488 -0.021 30 20 GBED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)N1CCS(=O)(=O)CC1 732909369 AGTMIXICPUSIAX-OCCSQVGLSA-N 381.454 -0.257 30 20 GBED CC[C@H](C)NC(=O)CN1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 735846413 UIBRCKJGXBQSGN-HLAUDOPJSA-N 391.472 -0.038 30 20 GBED C#CCNC(=O)C1CCN(CN2C(=O)N[C@@](CC)(c3cnn(C)c3)C2=O)CC1 755729437 CDLYGYMVQXUIDW-IBGZPJMESA-N 386.456 -0.004 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NC(=O)NC1CC1 767678589 FGYVZCRNFULXQZ-SNVBAGLBSA-N 394.409 -0.244 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2c[nH]nc2-c2cccnc2)c(=O)n(C)c1=O 771896536 BUVJTRGMMDAWGO-UHFFFAOYSA-N 389.397 -0.819 30 20 GBED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCC)c2=O)cn1 772275249 CCEYCLMOUKOWKW-UHFFFAOYSA-N 399.476 -0.021 30 20 GBED CN(C)c1c(C=NNc2cccc(S(C)(=O)=O)c2)c(=O)n(C)c(=O)n1C 807980412 OLWNJXPUMPXRJL-UHFFFAOYSA-N 379.442 -0.001 30 20 GBED C#CC[C@H](NC(=O)c1ccnc(C(=O)N[C@@H](CC#C)C(=O)OC)c1)C(=O)OC 837942256 DASHAWZIKLUGCI-KBPBESRZSA-N 385.376 -0.329 30 20 GBED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H]1CCCN(O)C1=O 848135365 MKWVUXOEFVGYTL-NWDGAFQWSA-N 384.433 -0.002 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)Nc2cccc(S(C)(=O)=O)c2)c1=O 915794642 JGKBCUCYZZZHAF-UHFFFAOYSA-N 376.394 -0.056 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2nc3ncccn3n2)[C@H](OC)C1 946062806 OEPDLCPQQFOZCN-YIYPIFLZSA-N 386.412 -0.329 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(C(N)=O)n2)C[C@H]1OC 946819698 FTDOPAVGNUFBIB-BQDHKBFISA-N 388.424 -0.273 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1OC 946820552 ZNKBZCHQFJLSJF-REBRKWNGSA-N 376.413 -0.178 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(C)c(=O)nc1O 996524276 JGWTZBFFIRFKGE-MFHWUAJNSA-N 388.424 -0.061 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1O 1023941930 IEZGKQXZTLGBMX-HWMZRRJGSA-N 377.445 -0.583 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 1024261455 TWDMGSUCLCARED-XNISGKROSA-N 392.456 -0.603 30 20 GBED COc1ccc(C#N)cc1CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1077682731 HQIUWSBUPKQAIU-YLFCFFPRSA-N 386.452 -0.048 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N2CCOCC2)C[C@H]1OC 1081694041 FVIARMFKRSNDNF-WCXIOVBPSA-N 381.473 -0.358 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CC(=O)N(C)C1 1109361338 STXKSODQDVYNQN-MQYQWHSLSA-N 377.445 -0.802 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H](O)COCCOC)nn1 1109812856 SMGHPFCMCSNRBB-AESZEHBQSA-N 379.461 -0.177 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 1117628821 JOLQSCCDPZXASN-HNNXBMFYSA-N 388.534 -0.908 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CCCN3CCC[C@@H]3C2)CC1 1118410780 CZDIWRYHOWVTGS-CQSZACIVSA-N 390.531 -0.148 30 20 GBED N#CCCN(CCN1CCOCC1)C(=O)Nc1[nH]nnc1C(=O)NC1CC1 1220382253 WLHBCQZZKJKNJY-UHFFFAOYSA-N 376.421 -0.223 30 20 GBED C=CCN(CC=C)C(=O)CN1CC[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]2C1 1221811763 IKIWAVBGXDUPLZ-WCXIOVBPSA-N 390.484 -0.247 30 20 GBED CN1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1=O 1324461039 INYYXUBQVIMISC-LSDHHAIUSA-N 383.408 -0.878 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCN(CC2CC2)CC1 1325113655 YCQXUTHERZLZHP-OAHLLOKOSA-N 397.483 -0.060 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCC(=O)N(C)C2CCCCC2)CC1 1327118818 OJFBEPPKOHYPKV-UHFFFAOYSA-N 390.484 -0.118 30 20 GBED COC(=O)C1(C#N)CCN(CC(O)CN2CCC(C#N)(C(=O)OC)CC2)CC1 1330095645 CPALSPSUYJFXSQ-UHFFFAOYSA-N 392.456 -0.095 30 20 GBED CC#CC[C@H](CO)NC(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 1345831520 VKDVCWCSIMEUOC-CQSZACIVSA-N 390.444 -0.490 30 20 GBED CC(C)NS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1541713098 QVGIGPVSTNYGMV-KBPBESRZSA-N 398.489 -0.161 30 20 GBED C#CCN1CCC(C(=O)NCCCN(C)c2ccc(-c3nn[nH]n3)nn2)CC1 1588351671 DRICKLQYXJQJCA-UHFFFAOYSA-N 383.460 -0.056 30 20 GBED C=CCCn1cc(C(=O)N[C@H](C)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 1588620887 LOJXJMYMHYYHFW-SNVBAGLBSA-N 384.404 -0.089 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(Cl)c(-c3nn[nH]n3)s2)C1=O 1609057211 DNIRDYNEUYYYAG-UHFFFAOYSA-N 396.776 -0.108 30 20 GBED Cc1cc(O)nc(N2CCC[C@@H](NS(=O)(=O)N3CCO[C@@H](C#N)C3)C2)n1 1671505568 STDJTPOESSLYIZ-OLZOCXBDSA-N 382.446 -0.482 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)C1CC1 1751239996 XYKKHCAZXBQNDY-RBOXIYTFSA-N 398.489 -0.222 30 20 GBED CC(=O)N(CC(=O)O)C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CCO1 1776202586 DXOMRZLMYWEZBT-CYBMUJFWSA-N 382.398 -0.724 30 20 GBED Cn1ncnc1C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134886 PJPLNPSTMAMPJB-KDCXGNEQSA-N 386.412 -0.029 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CNC(=O)C2)C1 1781774571 OZUMHBRLVYKNRQ-ZFCANOHDSA-N 391.468 -0.325 30 20 GBED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1786369602 IINFIKAQWHOERC-SRVKXCTJSA-N 396.494 -0.260 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(=O)OC)CC1)C2 1793347868 LJXKWZIYVPHKGK-APIJFGDWSA-N 378.425 -0.433 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](N)c1ccccn1 1795609795 QNKNSDLQNSHVNS-DTJSUFBGSA-N 386.452 -0.291 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cncn1 1801355122 QNLLPYONIOZUNK-DGXTUMSLSA-N 375.429 -0.533 30 20 GBED C[C@@H](CS(C)(=O)=O)C(=O)N1CCCC2(CCN(C(=O)C#CC(=O)O)CC2)C1 1806048382 WGNRCQHIZBDAAX-AWEZNQCLSA-N 398.481 -0.014 30 20 GBED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)C1(O)CCC1 1829746761 SIVAUMSCYUNLTO-KDOFPFPSSA-N 394.424 -0.918 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccno3)CCO2)C1 1834146370 RGIPXZRCYRKHEG-KSSFIOAISA-N 377.397 -0.217 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(F)c1)CCO2 1834360475 AQZWMLQEADDFRW-SFHVURJKSA-N 391.355 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N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CSCC3=O)CC2)cc1 16775989 CVBKFFAXBMIKLB-UHFFFAOYSA-N 394.478 -0.076 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C[C@H](C)O)CC3)CC2)o1 189401639 UUVCHPYXKYBVRA-AWEZNQCLSA-N 376.461 -0.498 30 20 GBED CCN1CCN(CCNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 268847512 XJVIHYHOQKXVED-OAHLLOKOSA-N 393.513 -0.021 30 20 GBED CCOC(=O)c1cn[nH]c1S(=O)(=O)N(CCC#N)CCN1CCOCC1 269646701 GHEZNTFLLHIURS-UHFFFAOYSA-N 385.446 -0.177 30 20 GBED C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 297878119 QICKNECCVCJXRZ-OAHLLOKOSA-N 386.456 -0.873 30 20 GBED N#CCC1(O)CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncccc2F)C1 349456314 IQYNWEQILMREDG-UHFFFAOYSA-N 392.434 -0.357 30 20 GBED CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)C#N 349474766 VVMXCTUZVRHFMS-SDDRHHMPSA-N 389.455 -0.431 30 20 GBED CCOC(=O)c1ccc(N2CC(NS(=O)(=O)N3CCO[C@H](C#N)C3)C2)nc1 409494083 BMCJSRVHFVGIPG-CQSZACIVSA-N 395.441 -0.494 30 20 GBED CS(=O)(=O)c1ccc(OCCNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1 410162271 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CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 610711023 ILGFJVRWGDSAQY-UHFFFAOYSA-N 394.425 -0.051 30 20 GBED COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@](C)(C#N)C2)cn1 612269872 CBBARMAPPQGKSF-QGZVFWFLSA-N 376.417 -0.264 30 20 GBED C#CCNC(=O)CN1CCN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1 728570641 IXUHGXYPKBFPPF-UHFFFAOYSA-N 394.497 -0.069 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)COc2cccc(-c3nn[nH]n3)c2)CC1 735380297 FMWUYRAHMMQAHR-UHFFFAOYSA-N 383.412 -0.861 30 20 GBED C[C@H](CC(=O)NCCN1CCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742500788 HATYTDHUUGHLAR-CQSZACIVSA-N 393.513 -0.133 30 20 GBED C[C@H](OC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C(=O)N(C)CCC#N 745587422 XKDDUMROQDZHDF-NSHDSACASA-N 381.410 -0.137 30 20 GBED N#Cc1c(F)cccc1S(=O)(=O)NCCS(=O)(=O)N1CCOCC1 751066396 QNWLSEQGGWGMKV-UHFFFAOYSA-N 377.419 -0.362 30 20 GBED Cn1[nH]c(COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)nc1=O 765393648 OIGMRROTXSYSLM-UHFFFAOYSA-N 379.398 -0.330 30 20 GBED C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1)[C@@H]1CCCO1 775330211 PWJLHWAVVVCEJR-KBPBESRZSA-N 399.494 -0.041 30 20 GBED C#CCC[C@H](O)CNC(=O)[C@@H]1CC(=O)C[C@H](C)[C@@H]1C(=O)NC[C@H](O)CCC#C 799082239 YRINEDHMIFELAI-APWQULEDSA-N 390.480 -0.001 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CCn2cnc3c(N)ncnc32)CC1 826550541 UGBGKBCKDQPYIJ-UHFFFAOYSA-N 384.444 -0.918 30 20 GBED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCNCC2)c1 841144365 FZXHDAMJLPSYNQ-HKWRFOASSA-N 393.469 -0.130 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CCc1cnn[nH]1 960982448 BZHFSPDJPAQFSC-FXUDXRNXSA-N 375.429 -0.233 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2nc3ncc(C)cn3n2)C[C@@H]1O 970707044 NXVWLELQEDWVAX-MQYQWHSLSA-N 386.412 -0.675 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2cn(C)nn2)C1 990863831 IUOGVHVONGUOAY-UXOAXIEHSA-N 386.416 -0.820 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)o2)C1 1023595148 YBNWYZHXDBLLGO-CFAJVAMVSA-N 378.429 -0.020 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cncnc2O)C1 1024301549 BDOWLBUOLZHRRN-MYPMTAMASA-N 376.413 -0.145 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(O)cc2OC)C1 1025704647 QRPCLQQQOALVKU-ZRJCITRHSA-N 377.397 -0.312 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@H]1OCCO[C@H]1C 1110679937 GVMIYMYXNTWGOH-ADVQIIOHSA-N 380.445 -0.476 30 20 GBED CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C(=O)NC1CCN(CC#N)CC1)CC2 1117327126 WJBUGDOAZOLCIT-CVEARBPZSA-N 378.473 -0.131 30 20 GBED C#CCCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1117375905 USCODXVXCQTCKI-UHFFFAOYSA-N 395.485 -0.519 30 20 GBED N#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 1194887293 QIQVEMWQQJBSPD-SJXGUFTOSA-N 378.379 -0.131 30 20 GBED C#CCOCCNC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 1323710660 JITGGHKXAHHTRQ-UHFFFAOYSA-N 397.428 -0.252 30 20 GBED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCCCC#N)cn2)C[C@@H](C)O1 1325241344 UCOMJDSFQFBEHD-BETUJISGSA-N 376.417 -0.123 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N2C[C@@H](N)[C@H](c3cnn(C)c3)C2)n1 1325829938 KQCSRGFSRMFRFR-DLBZAZTESA-N 383.456 -0.448 30 20 GBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1 1325963111 HOQCXMJGUDDWOW-LSDHHAIUSA-N 399.455 -0.560 30 20 GBED Cc1cc(CNC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)ncn1 1326610681 IGTGBXWBQDMOGZ-CYBMUJFWSA-N 380.412 -0.200 30 20 GBED C#CCOCCNC(=O)C(=O)NCc1cccc(S(=O)(=O)NC(C)C)c1 1328889758 XSMHPHDWOKOBRN-UHFFFAOYSA-N 381.454 -0.245 30 20 GBED C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)C(=O)N(C)C 1329325648 GONAQSLALNKOIE-LBPRGKRZSA-N 375.404 -0.061 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC([C@@H](O)c2nccn2C)CC1 1329799904 FOMNKHCJWCHWRQ-CQSZACIVSA-N 398.485 -0.591 30 20 GBED C=CCn1c(-c2ncnn2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1342443354 WAIQURGGZHUMFA-UHFFFAOYSA-N 387.448 -0.166 30 20 GBED COCCn1c(CN2CCC[C@@H](O)C2)nnc1N1CCN(CCC#N)CC1 1342902096 VWCCGQUASPWSGD-MRXNPFEDSA-N 377.493 -0.083 30 20 GBED C=C[C@@](C)(O)CC(=O)NC1(CNC(=O)CC(=O)NCc2cnn[nH]2)CCCC1 1575071979 DTPJUOJVXPFYBJ-QGZVFWFLSA-N 392.460 -0.317 30 20 GBED Cc1onc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1-c1nn[nH]n1 1581738932 GTQSSJALGMVMOU-LKFCYVNXSA-N 377.386 -0.898 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)O)CC1 1588483960 NJQLTYLAMWMRBP-LSDHHAIUSA-N 385.486 -0.283 30 20 GBED C=CCC[C@@H](NC(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O)C(=O)OCC 1588579274 LPIYTGJWHQQIGE-LLVKDONJSA-N 391.388 -0.467 30 20 GBED C=CCO[C@H](C)C(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1588665406 KPUJTJASPITQLT-LLVKDONJSA-N 389.416 -0.521 30 20 GBED C=CCOC[C@@H](NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C)C(=O)O 1588856562 MMOPHHNGSLIBLF-XBFCOCLRSA-N 380.401 -0.520 30 20 GBED CO[C@]1(C(=O)O)CCN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C1 1599069975 ZJYPVTXVDPWHEA-RDTXWAMCSA-N 375.381 -0.248 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCCn2cc(Br)ccc2=O)CCO1 1669448117 UIZMZIQJARUKJH-LLVKDONJSA-N 391.247 -0.330 30 20 GBED COc1cc(C(=O)O)ccc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 1776052181 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1839707263 NXQAMDAMDMWGAU-RDTXWAMCSA-N 388.428 -0.401 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1839867254 HGFLIUKSLNOLGN-SPYBWZPUSA-N 395.456 -0.830 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840106994 FPERBRFIPLDDTH-RDTXWAMCSA-N 399.513 -0.226 30 20 GBED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)n1cncn1 1840415913 UEDZMKVNAYKRIC-BEFAXECRSA-N 387.440 -0.291 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCNC3=O)C1 1842562791 NUGASBPADKQJBJ-ZDUSSCGKSA-N 385.424 -0.518 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)C[C@H](NC)C(=O)O)C1 1842952335 NSZKZPQLSIVHAJ-ZDUSSCGKSA-N 381.429 -0.238 30 20 GBED O=C1NC(=O)[C@@H](CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=N/N2CCCCC2)N1 1848132443 YNJLQIHCTUVAMA-HGWLOEKJSA-N 390.444 -0.742 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCOC 255669545 QZSXOXZRYUXKTG-UHFFFAOYSA-N 388.405 -0.287 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CCOc2ccc(C(N)=O)cc2)CC1 267179246 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N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@@H]34)CC2)n1 502299495 HBBINGOTRAHDQC-HOTGVXAUSA-N 396.451 -0.129 30 20 GBED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCOCC2)C1 508936844 UIZKLWPPKOUPSG-ZIAGYGMSSA-N 384.506 -0.015 30 20 GBED CNS(=O)(=O)c1csc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 530270909 ZYPHXGHPLHKIPB-UHFFFAOYSA-N 395.422 -0.513 30 20 GBED CCOC(=O)[C@H](C)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 563420522 RZGXQWSSYTVSAU-LLVKDONJSA-N 389.455 -0.034 30 20 GBED N#Cc1cccnc1-n1cc(NC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)cn1 597512998 UESMDSDDWQUAKZ-GFCCVEGCSA-N 375.414 -0.007 30 20 GBED CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)NC(=O)NC2CC2)c1=O 600604303 GAPTVHGNRQIKOW-UHFFFAOYSA-N 391.384 -0.788 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CN2C(=O)CCOc3ccccc32)CC1 728535091 YGSQKYOYVAXXAD-UHFFFAOYSA-N 384.436 -0.304 30 20 GBED Cn1c(=O)c2c(ncn2CC(=O)O[C@H](C(=O)O)c2ccc(C#N)cc2)n(C)c1=O 739000378 ZOPITBZZXCBBMQ-AWEZNQCLSA-N 397.347 -0.326 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](C)CS(C)(=O)=O)CC2)o1 747075031 KBTDOFOGKFTXHT-NSHDSACASA-N 398.441 -0.273 30 20 GBED CCOC(=O)[C@](C)(O)CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 768725713 PAPQSHGSGSUTKU-APPDUMDISA-N 397.453 -0.066 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1=O 798546519 ZMAPMRMSGZGBHT-GXTWGEPZSA-N 396.469 -0.603 30 20 GBED C#CCNC(=O)CN1CCN(c2nnc(CC)c(CC)c2-c2nn[nH]n2)CC1 819701716 LJASZSAJSLABJC-UHFFFAOYSA-N 383.460 -0.347 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc(F)ccc2-c2nn[nH]n2)c1=O 819759184 PNNORYIVYWXCDQ-UHFFFAOYSA-N 385.359 -0.089 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H](C#N)C1CC1 820438102 ISRPWORAQKNYOG-NOZJJQNGSA-N 375.414 -0.048 30 20 GBED COC(=O)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O 831129253 VDMZGSQSBQPHRS-JOYOIKCWSA-N 383.382 -0.642 30 20 GBED C[C@](C#N)(NC(=O)CN1CCN(S(=O)(=O)N=S(C)(C)=O)CC1)C1CC1 846981656 VJNAIAFSDYSXBF-CQSZACIVSA-N 391.519 -0.615 30 20 GBED C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)[C@H]1CCCO1 848942213 AOQZRUFTUBOFQA-LSDHHAIUSA-N 383.451 -0.052 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCN(CC(C)C)C2)CC1 893611291 HKKWSMSCAHJHKJ-INIZCTEOSA-N 385.534 -0.241 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 969586466 FPCPDORHPTWKTB-YXPYIKCWSA-N 390.440 -0.547 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1n1ccnn1 990961980 KDNSUWWHJDMQMW-KBXIAJHMSA-N 389.412 -0.375 30 20 GBED C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)cn1 1025764487 TZASPFLXUVTMCL-BSDSXHPESA-N 379.420 -0.098 30 20 GBED NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(CC#Cc3ccc(F)cc3)C[C@@H]2O)O1 1083775162 LWABUEFPTUMBMR-LTIDMASMSA-N 375.400 -0.629 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCCOCC 1111468917 WGJFDJQKTGQVBJ-KFWWJZLASA-N 382.461 -0.227 30 20 GBED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cn(C)nc2C(F)F)c1=O 1117692016 BMMOCRGPDNPZRH-UHFFFAOYSA-N 377.376 -0.537 30 20 GBED CC1CCN(C[C@H](C)NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1118683193 QQYHIIKZPWOXOV-VUAZUDAXSA-N 391.472 -0.134 30 20 GBED COCC#CCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1218168722 SYOVHZBEBHWSNF-YJNKXOJESA-N 392.374 -0.106 30 20 GBED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC(=O)N(CCC#N)CCC#N 1253279520 GYAMOBOAJVECGP-CQSZACIVSA-N 383.474 -0.732 30 20 GBED CN1CCN(C[C@H](NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c2ccccc2)CC1 1257059073 FPENGGAUEGDJHI-ROUUACIJSA-N 385.468 -0.158 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCCN2C(=O)CNC2=O)cc1 1318354268 NOAXXHUCWLZYQD-UHFFFAOYSA-N 378.410 -0.469 30 20 GBED COc1ccc(N2C[C@H](NC(=O)C(=O)N3CC[C@](O)(CC#N)C3)CC2=O)cc1 1328544668 HZGVZWGOVOKAJZ-BFUOFWGJSA-N 386.408 -0.206 30 20 GBED C#CC[C@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 1328771792 MDOUJNDHOMPKLQ-KRWDZBQOSA-N 396.447 -0.183 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC(O)(CO)CC2)CCN1Cc1ccccc1 1329663118 HXXRWRXMJMONNI-QGZVFWFLSA-N 386.452 -0.431 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCn3cnnc3C2)cc1 1333041529 MRMRCVDIVUKUDT-NSHDSACASA-N 396.454 -0.327 30 20 GBED C#CCN1CCCC[C@@H]1c1nnc(N2CCO[C@H](C(N)=O)C2)n1CCOC 1341505981 KRNTUBOYVLHGMR-CABCVRRESA-N 376.461 -0.225 30 20 GBED C=CCn1c(CN2CCC(CO)CC2)nnc1N1CCN2C(=O)NC[C@H]2C1 1342149606 IFUITOXMGVTEAA-HNNXBMFYSA-N 375.477 -0.118 30 20 GBED CN1CC[C@H](N(C)C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1=O 1346591125 LMBNMOMLKJGEBQ-AWEZNQCLSA-N 381.396 -0.174 30 20 GBED C=C[C@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC 1347877654 LZAGCIMVPUQAGL-TZMCWYRMSA-N 384.454 -0.109 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2CCc2ccc(C)cc2)CC1 1355581598 HLKSCKZTMRTSDU-UHFFFAOYSA-N 389.485 -0.186 30 20 GBED C[C@@H](C#N)C(=O)N1CC[C@@H](N2CCN(c3ccc(-c4nn[nH]n4)nn3)CC2)C1 1573565561 RZFJKEMAZNPDQW-QWHCGFSZSA-N 382.432 -0.461 30 20 GBED C#Cc1cncc(C(=O)N2C[C@@H](NCC(=O)NCc3cnn[nH]3)C(C)(C)C2)c1 1575032775 LVILVZBTPKTKRR-MRXNPFEDSA-N 381.440 -0.062 30 20 GBED N#CCSCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)C1 1577709823 FEFDIHXSSYBYDK-OBJOEFQTSA-N 377.474 -0.211 30 20 GBED CO[C@@H]1CN(c2nc(C)cc(C#N)n2)C[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1579863401 ANWXPNLNKVWFNZ-ZIAGYGMSSA-N 394.399 -0.202 30 20 GBED N#Cc1ccc(N2C[C@H]3[C@H](CNC(=O)c4c[nH]c(-c5nn[nH]n5)c4)[C@H]3C2)nn1 1581871571 ZTJSFKJPGGBUDI-XYYAHUGASA-N 376.384 -0.031 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[nH]n4)n3)C[C@@H]2O)nc1 1588368164 QWNSIVPHQXQPEL-DOMZBBRYSA-N 391.395 -0.597 30 20 GBED CN(CCOCCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1ccc(C#N)nn1 1591111098 YLLOYPASQPBNHH-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020727 UQVFSBWNAFAQQQ-LPGQDOADSA-N 376.413 -0.624 30 20 GBED CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1782649622 NWRCURGSZLMOQQ-GOSISDBHSA-N 393.513 -0.006 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(C)=O)C2)C1 1783189991 RYVOZLOXAJSALU-KXBFYZLASA-N 381.473 -0.084 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCCCC3)[C@H]2C1 1786579480 BVCFJQBNWHXVLB-ULQDDVLXSA-N 391.468 -0.070 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccnn3)[C@H]2C1 1787120006 CMVVWGBGQNPLNQ-VGWMRTNUSA-N 391.472 -0.169 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCNC(=O)C1)C2 1793347038 VUABYAIKLLZCNQ-WVCIDPQESA-N 377.441 -0.860 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(=O)Nc2cccnc2)C3)CC1 1795411071 NYBVIROFOVDOPP-AGGWBTHJSA-N 383.408 -0.087 30 20 GBED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)CCC(N)=O)C(F)(F)F 1795534795 YOFAYNKCQLOSBQ-NOHGZBONSA-N 392.378 -0.713 30 20 GBED NC(=O)CC[C@H](N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C/N=C/c1ccco1)C2 1795976186 VZZDXDWNODHIFK-FQBURUSCSA-N 389.456 -0.071 30 20 GBED CS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798693981 NDGGRJRDSUBPBU-JJLQDPRZSA-N 380.426 -0.866 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)n(C)n1 1798755809 MLGQUOVLMJYBKZ-ZJOBFFGXSA-N 390.440 -0.330 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CNC(=O)C1 1800525408 ICJJEVKTIUVBBO-IPVBOJNNSA-N 380.445 -0.487 30 20 GBED CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O)C(C)(C)C 1800773461 FBQBGFNJHVOATE-DLTLXFJOSA-N 393.440 -0.785 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O 1801528348 BBBKOZBKJQRVAP-HGTKMLMNSA-N 388.486 -0.398 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1832447480 YKYLUHXPGKUAKX-RDTXWAMCSA-N 399.513 -0.127 30 20 GBED COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1834847985 DHSGDGAXESFGGG-SFHVURJKSA-N 381.429 -0.054 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835414167 YAHAOTHWNYAQPZ-DYVFJYSZSA-N 385.486 -0.617 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1840166147 VSHIWETVWPSNKS-CXAGYDPISA-N 396.469 -0.370 30 20 GBED Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)cn1 1840464423 RAIMGJWRNHNJHI-SFHVURJKSA-N 375.429 -0.277 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1840844123 DVNYGIOIKQNNRB-YJBOKZPZSA-N 375.429 -0.291 30 20 GBED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CCN2CCN(C)CC2)C1 1842827055 GBDBLVNWCIGUFH-QGZVFWFLSA-N 376.501 -0.134 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)n2cnnn2)C1 1846647076 BTBJHJWFLRELDU-CYBMUJFWSA-N 376.417 -0.053 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N[C@H](C(=O)OC)[C@@H](C)CC)c1=O 61355529 HKUFNWHNRLMDDJ-JSGCOSHPSA-N 394.428 -0.752 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@H](CCC(=O)OC)C(=O)OC)c1cc[nH]n1 278404731 XPPUSXCKTCXMNZ-OHARDZCESA-N 398.372 -0.696 30 20 GBED CCc1c(/C(O)=N/C[C@@H]2CN(C)CCN2C)cnc2c1c(=O)n(C)c(=O)n2C 328675588 KTCNGQDUDIZIPC-GFCCVEGCSA-N 388.472 -0.255 30 20 GBED CC[C@H](/N=C(/O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(=O)N1CCOCC1 330113036 CLGYIQYHMVZHCX-HOTGVXAUSA-N 395.504 -0.224 30 20 GBED COc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)ncn1 348446920 DEGLSCHBQRNCRZ-UHFFFAOYSA-N 389.459 -0.208 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)[C@@H](C)[C@H]1C 349462672 LHAZKABQHBJJAI-MJBXVCDLSA-N 380.536 -0.048 30 20 GBED N#CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@H](O)CC[C@H]2C1 349508071 YZSIGMOAGAPXHT-BFHYXJOUSA-N 390.487 -0.912 30 20 GBED N#CCNS(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 349554768 NBTLMUBSFURRCB-OLZOCXBDSA-N 381.476 -0.923 30 20 GBED C=CCNC(=O)CNC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 540755157 JENWHHNMGQNZAK-UHFFFAOYSA-N 381.458 -0.532 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCN2CCC[C@@H]2C1 573138569 NUIUVWMRCRUWLL-CYBMUJFWSA-N 378.520 -0.292 30 20 GBED COC(=O)CCN1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)[C@@H](C)C1 588123693 GLHCMGQFDALMSX-AWEZNQCLSA-N 379.461 -0.814 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C 588905508 HYNCGROQUCWJIG-OLZOCXBDSA-N 381.524 -0.284 30 20 GBED COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCCCN1C(=O)CNC1=O 593541751 NXOHHKIGMXFSKV-UHFFFAOYSA-N 380.382 -0.435 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1 599937098 DECBQEUEEPGZEU-CABCVRRESA-N 378.454 -0.496 30 20 GBED N#Cc1ccc(N2CCC(NS(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)nc1 619709227 FDTKFPXXWXLKEA-HNNXBMFYSA-N 376.442 -0.019 30 20 GBED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)CC1 735380128 CJDXCKOZHOKPGA-AWEZNQCLSA-N 396.455 -0.439 30 20 GBED C#CCNC(=O)CN1CCN(CCOc2cccc(S(C)(=O)=O)c2)CC1 738311207 CLEPBUWHRJRTEF-UHFFFAOYSA-N 379.482 -0.164 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)ccc1F 778851761 DPTLPQCARGOWKG-LBPRGKRZSA-N 396.400 -0.334 30 20 GBED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 785657828 NZHAQNUWJWOTMJ-HZPDHXFCSA-N 394.472 -0.282 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)CCO1 800139486 LQNLCUFXUFMCFF-NSHDSACASA-N 384.380 -0.154 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)c1cnnn1C 803398250 QMSATCFBELBWDG-SNVBAGLBSA-N 377.382 -0.220 30 20 GBED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)[C@H]1CCCO1 805186491 JZNQUJGRPLZLMF-UKPHBRMFSA-N 384.436 -0.223 30 20 GBED C=C(Br)CNC(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 808471174 WXYWMAWEZXEKCX-FIQHERPVSA-N 396.241 -0.066 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(O)C2=O)cc1 820482448 KAJHJYSGAUVOQT-ZDUSSCGKSA-N 399.425 -0.362 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1C[C@@H]2CCCCN2C1=O 837261380 SQEYISJDAZQXQF-WCQYABFASA-N 376.438 -0.005 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1)[C@@H]1CCCO1 848963082 IVRDPLGJFFCNBA-QWRGUYRKSA-N 377.448 -0.963 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1OC 946819500 ACIDBWPQTPKNAF-LVQVYYBASA-N 377.445 -0.319 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@@H]1O 964489595 KSHAIHXRUAJQMI-MHORFTMASA-N 393.484 -0.086 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc3n(n2)CCO3)C1 967262374 JHYBBFNZMAIEII-RZFFKMDDSA-N 376.413 -0.442 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(C(N)=O)ccn2)C1 968762602 OTOQVKMNAJCHJO-UKMLZYKCSA-N 388.424 -0.537 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3nnc(O)nc3O)C[C@H]21 972410458 SNSNAOABQQBXJS-LPWJVIDDSA-N 389.412 -0.063 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)[C@@H]1CC 985521855 MHBIRIUQFCYXJA-BARDWOONSA-N 377.445 -0.331 30 20 GBED C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC(=O)NC(=O)N2)c1 1000176881 CWMRZNJSIOFREV-QPSCCSFWSA-N 381.392 -0.477 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2nnn(C(C)(C)C)n2)C1 1024084112 WDIXEPWDJUNLCB-DGAVXFQQSA-N 392.460 -0.289 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1073583128 NMRLPSXRKMCLJQ-GGURZLOHSA-N 387.480 -0.197 30 20 GBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCN1C(=O)CCC1=O 1110785310 OWGXPEZZYRKKIA-TUVASFSCSA-N 376.457 -0.062 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 1120365007 BOXTVVFDUQXUNB-UHFFFAOYSA-N 392.500 -0.317 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC(=O)N2CCCC2)C[C@H]1C 1208732033 XVSLSQAXAGEUIC-VQHPVUNQSA-N 392.500 -0.247 30 20 GBED C[C@H]1CC(=NC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)NO1 1295952584 JKEXLWHXDWFSDY-VIFPVBQESA-N 375.428 -0.393 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@@H](C)N(C)C1CC1 1322499512 JHOYLJLBYPHSAC-ZIAGYGMSSA-N 385.472 -0.016 30 20 GBED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NCc1cccc(OCC#N)c1 1323495497 SRGJAGRCNGLDQI-AWEZNQCLSA-N 394.453 -0.255 30 20 GBED CS(=O)(=O)C[C@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1324347702 CRQVOXXCCIWLDG-NSHDSACASA-N 385.467 -0.382 30 20 GBED COC[C@@H](CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)OC 1324422264 HUEOKZORAVGELU-CYBMUJFWSA-N 391.428 -0.150 30 20 GBED C=CCN(C(=O)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1)[C@H](C)COC 1327436208 JKEACEHIJKWNGZ-XIKOKIGWSA-N 380.445 -0.127 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCC[C@]34CCOC4=O)CC2)nc1 1348402142 HCHQURRMWDNXIF-LJQANCHMSA-N 383.408 -0.090 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCS(=O)(=O)[C@H]3COCC[C@H]32)CC1 1473537298 UQTAAQMFIKLYTN-IKGGRYGDSA-N 398.529 -0.433 30 20 GBED C#CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1573286041 SATCGKCSHXPTNW-DGCLKSJQSA-N 398.427 -0.841 30 20 GBED C[C@H](C#N)C(=O)N1CC2(CC[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)O2)C1 1573562305 SEHLXGZQCMVGJE-PWSUYJOCSA-N 384.400 -0.156 30 20 GBED C#CCCN(CCOC)c1nnc(Cn2cnc(-c3nn[nH]n3)n2)n1CC1CC1 1588346166 AIJBJIXEAWJTGI-UHFFFAOYSA-N 397.447 -0.016 30 20 GBED C=C[C@@](C)(O)CC(=O)N1CCO[C@@H](CNc2nc(C)cc(-c3nn[nH]n3)n2)C1 1588501069 IUNUYXNPDCAIGA-YVEFUNNKSA-N 388.432 -0.068 30 20 GBED C=CCO[C@H](C)C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588665104 FKNMERVAWCPWON-GHMZBOCLSA-N 377.405 -0.665 30 20 GBED CN(C)[S@](C)(=O)=NC(=O)CSc1nc(N)c(C#N)cc1-c1nn[nH]n1 1591024615 HTDHEUWPCXXLGP-RUZDIDTESA-N 381.447 -0.091 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](C(=O)O)[C@H]1CCOC1 1601279610 LSMPIWUSYBDTQJ-AAEUAGOBSA-N 395.437 -0.031 30 20 GBED C#CCN1CCC(C(=O)NCC[C@@H](C)N=c2cc[nH]c(-c3nn[nH]n3)n2)CC1 1602718623 YNFWUWCTTOERSA-CYBMUJFWSA-N 383.460 -0.270 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)N1CC[C@@H](Oc2ccc(-c3nn[nH]n3)cn2)C1 1602720361 VXRHICGRTDKRNE-OAHLLOKOSA-N 393.407 -0.274 30 20 GBED C#CCO[C@@H](C)C(=O)NC1(CN=c2cc[nH]cc2-c2nn[nH]n2)CCOCC1 1602725487 KJHQSCNJYWEHHU-ZDUSSCGKSA-N 385.428 -0.201 30 20 GBED N#Cc1ccc(NCCNC(=O)C(=O)NCc2cccc(-c3nn[nH]n3)c2)nc1 1606377556 LLGNYLNDUJHYAN-UHFFFAOYSA-N 391.395 -0.022 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(Cn3cnc(C(=O)O)n3)CC2)cc1 1610630362 WNKBSXBFQVVQKT-UHFFFAOYSA-N 376.398 -0.188 30 20 GBED CC(C)(C)OC(=O)[C@@H]1COCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1632840902 WFZFWALGSZAFQW-LBPRGKRZSA-N 378.385 -0.220 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CNC(=O)c2ccoc2)C[C@@H]1O 1757177751 MTJUSTIJBDPJCU-IVSAIRAKSA-N 391.424 -0.322 30 20 GBED CN[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)ON=C(C)C)C2)C1)C(=O)O 1781400245 KDONNZGFMSYKDZ-IYOUNJFTSA-N 398.460 -0.320 30 20 GBED C=C(C(=O)N1CC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1)C(F)(F)F 1783203259 WHZQPZCXAKEIDS-OAHLLOKOSA-N 389.378 -0.225 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc3ncccn13)CCO2 1783562044 ZGIDFNYWURTLEM-GOSISDBHSA-N 383.364 -0.739 30 20 GBED CCOC(=O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1792228645 RZQSCQLLHZXXEH-IHRRRGAJSA-N 394.424 -0.357 30 20 GBED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1793312023 DPWMBQVFGFSIIP-GUIRCDHDSA-N 386.474 -0.792 30 20 GBED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nccn1)C2 1793353170 NIOLWFMYNQQFKQ-JLVBRIDZSA-N 377.445 -0.150 30 20 GBED CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1797694485 DCLDSESLIGQADH-YIYPIFLZSA-N 377.445 -0.413 30 20 GBED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnn1)C2 1799393495 KEHFFIKTBHJQPD-HGTKMLMNSA-N 378.433 -0.331 30 20 GBED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@@H](N)C(N)=O)C2)C(F)(F)F 1800548483 IAEQXZLFUYKDKG-LSCVPOLPSA-N 392.378 -0.713 30 20 GBED COc1ccccc1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1800631232 ZZDFJOAGKAZQIQ-YVWYUNDQSA-N 386.404 -0.085 30 20 GBED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)ccc1O 1800778633 LZGPOYSEAFIDLH-IVWMJMPLSA-N 388.376 -0.308 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@H]2CCC(=O)NC2)[C@H]1c1cccnc1 1802611278 BIGROBCMFGMWOU-ZRGWGRIASA-N 398.419 -0.298 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnc(O)[nH]3)sc2C1 1820670172 USKKYUCSPBMBQO-SSDOTTSWSA-N 375.366 -0.114 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1831402822 SLQOAVKMAGZMHG-JXFKEZNVSA-N 394.468 -0.214 30 20 GBED Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1835628639 DJULEZYLUUNTDD-BDJLRTHQSA-N 384.458 -0.046 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1F)CCO2 1838856841 DXKFEANQCAZPDS-IBGZPJMESA-N 390.367 -0.016 30 20 GBED Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)no1 1840159196 YQOVFHUQWBVVNX-MEDUHNTESA-N 384.458 -0.305 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1840842172 RMFNPCUVWPPJPV-LJQANCHMSA-N 398.423 -0.392 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](COC)NC(C)=O)C1 1844385378 QRSUQCPKWUEQJK-LSDHHAIUSA-N 381.473 -0.086 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCN1CCN(C)CC1 1847803250 UGIRETBYIQDAEV-BZSNNMDCSA-N 376.501 -0.136 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](COC(C)=O)OC(C)=O 1847804485 GIHCYXSTSJRXLI-ZCPGHIKRSA-N 394.424 -0.279 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC(=O)Nc1cccc(C#N)c1)C2 276411434 LRDIPZKRLPBZMC-UHFFFAOYSA-N 383.412 -0.541 30 20 GBED Cc1cc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)ccc1C#N 278053497 RSSOZIJSJLTXQQ-HZPDHXFCSA-N 399.494 -0.357 30 20 GBED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N(C)CCC#N)c2)CC1 283406509 WUZCIWGXUIODQK-UHFFFAOYSA-N 393.469 -0.067 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](C(C)C)N2CCOCC2)C1=O 285573357 JYWRYSXNCUKCRX-CVEARBPZSA-N 380.489 -0.295 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cnccn3)CC2)cc1 298081571 ORCUVDFBFVKOBG-UHFFFAOYSA-N 386.437 -0.025 30 20 GBED CN(CC(=O)N1CCN2CCOC[C@H]2C1)S(=O)(=O)c1ccc(C#N)cc1 329674334 OMMAXFJYLBDQEN-OAHLLOKOSA-N 378.454 -0.278 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 349469772 BMXCYBSJPYVSLW-IGQOVBAYSA-N 377.488 -0.399 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)CC1 349471548 DRRPSGJAEJLFQF-ODXJTPSBSA-N 389.499 -0.617 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)C1=O 364010358 DKOULEDLJPHZQM-CQSZACIVSA-N 384.392 -0.120 30 20 GBED C[C@@H]1NC(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)=NN(c2ccccc2)C1=O 371635487 XTCGGZUEXJMXBL-JTFSYWPOSA-N 396.407 -0.033 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)n1 437355155 UGQNMIFXHFLOFX-LLVKDONJSA-N 382.446 -0.272 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)C1=O 440249103 YAZBHENPIGRBJV-CYBMUJFWSA-N 398.416 -0.343 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 479521029 YXKLBSTVGVRBFI-UHFFFAOYSA-N 377.382 -0.275 30 20 GBED Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)c1 524280997 AFQVNTFAUIPEGS-UHFFFAOYSA-N 396.472 -0.206 30 20 GBED COc1cc([C@H](C#N)NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)cc(OC)c1OC 597039671 NCWDORRICCPONR-VPWBDBDCSA-N 378.381 -0.194 30 20 GBED C#CCNC(=O)CN1CCN(CCS(=O)(=O)c2cccc(OC)c2)CC1 728571062 AJILECXTAJFHSN-UHFFFAOYSA-N 379.482 -0.164 30 20 GBED C[S@](=O)CCN1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 741289048 QQOQYMIIHVHPLR-VWLOTQADSA-N 398.510 -0.752 30 20 GBED CN1CC[C@](O)(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 762715431 HDSWAHJMICPKQA-KRWDZBQOSA-N 380.470 -0.312 30 20 GBED Cn1cc(S(=O)(=O)NN=C/C=C/c2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O 771892817 VPVONJGFOKAVGB-JQVRKROHSA-N 393.381 -0.030 30 20 GBED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)c1 783465276 VYNUPXFTJUSQOA-UHFFFAOYSA-N 396.407 -0.354 30 20 GBED C#C[C@H](NC(=O)C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1)[C@H]1CCCO1 785524625 PGMBXCIUXWSHFV-TUKIKUTGSA-N 379.438 -0.192 30 20 GBED CC#CCS(=O)(=O)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 810775407 DWGOIHDXZAZSNZ-UHFFFAOYSA-N 389.411 -0.315 30 20 GBED CC(=O)N1CCN(S(=O)(=O)NC(=O)c2cc(C#N)cc(N(C)C)c2)CC1 816094089 JVASJMDXOVHEJP-UHFFFAOYSA-N 379.442 -0.237 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NCCC(=O)O 827753438 DHNHZFRLAMOLKD-JTQLQIEISA-N 383.382 -0.641 30 20 GBED Cn1cc(S(=O)(=O)NCC(=O)O[C@@H](C(=O)O)c2cccc(C#N)c2)cn1 833053170 QBANHXPLVAVAFL-CQSZACIVSA-N 378.366 -0.061 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H](N3CCOC3=O)C2)c1 857311594 WWFPXFRBYRENMT-CYBMUJFWSA-N 378.410 -0.110 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)CC1 866810897 YADHXAPLWXNTCC-UHFFFAOYSA-N 393.391 -0.126 30 20 GBED CC1(C)NC(=O)N(CCOC(=O)CNS(=O)(=O)c2ccccc2C#N)C1=O 914624069 FFTPXYXZXCOBBJ-UHFFFAOYSA-N 394.409 -0.290 30 20 GBED N#Cc1cccnc1NCCNS(=O)(=O)c1cccc(S(N)(=O)=O)c1 917896773 DHIMAOYKTZVVCX-UHFFFAOYSA-N 381.439 -0.009 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)[C@@H]2C1 975286907 HTGUEAZOZJOYIT-SYQHCUMBSA-N 376.413 -0.811 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2CC(=O)NC2=O)cn1 1004740533 QTPPPVJCCISMAI-XZDPQHSOSA-N 380.404 -0.023 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 1023668685 QFHAQEODZHCPKG-BORJPKMPSA-N 375.425 -0.483 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)nc2O)C1 1023757028 QOQDUJRYZPISPG-NGFQHRJXSA-N 388.424 -0.048 30 20 GBED Cc1cn(C)c(CC(=O)N2CCOC[C@@H]2C#N)c1C(=O)N1CCOC[C@@H]1C#N 1116830426 VSYDTHDIEGPQJC-GJZGRUSLSA-N 385.424 -0.008 30 20 GBED N#Cc1ncn(CCNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)n1 1117263792 IGSPWPRDFWHYPZ-UHFFFAOYSA-N 383.416 -0.815 30 20 GBED C=CCN(C(=O)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)[C@@H](C)COC 1118639889 UFXMWCAKXWZBSO-ZJNRKIDTSA-N 380.445 -0.127 30 20 GBED C=CCOCCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 1129266410 KKDZTKHVTXHBPD-JJXSEGSLSA-N 376.461 -0.454 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(=O)NCCC)C[C@@H]1O 1219655953 CPIBFJZZFPKDJA-KBXIAJHMSA-N 382.461 -0.635 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)n1 1321131679 VFWRELABMLRSEU-UHFFFAOYSA-N 385.428 -0.212 30 20 GBED N#C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)CCO1 1321685094 KTWUKPIIKLTYAA-NSHDSACASA-N 384.380 -0.154 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCC[C@H](n2ccnc2)C1 1322760282 OGNBECSUHMYLMS-ZGTROFRASA-N 386.412 -0.311 30 20 GBED CN(C)c1c(C=NNC(=S)NCc2cccnc2)c(=O)n(C)c(=O)n1C 1327092820 ZSHRMMKVCNFCJV-UHFFFAOYSA-N 375.458 -0.457 30 20 GBED C#CCN1CCC[C@@H](NC(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)C1 1337015531 FOXGSJGIRIQMCN-CABCVRRESA-N 384.502 -0.581 30 20 GBED C=CCN(C(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C1CC1 1344969978 JSGABUUNTLTDFU-HNNXBMFYSA-N 385.486 -0.184 30 20 GBED C[C@]1(C#N)CCCN(C(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 1346201459 YUACTTAXFDVHRN-QGZVFWFLSA-N 384.502 -0.236 30 20 GBED COCCCN(C(=O)C(=O)Nc1ccc(C#N)cn1)[C@H]1CCS(=O)(=O)C1 1347666054 HVWNPZDXKWYSRT-ZDUSSCGKSA-N 380.426 -0.056 30 20 GBED C#CC1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)CC1 1348616603 IVQJFGPUFRXXOY-UHFFFAOYSA-N 384.502 -0.411 30 20 GBED C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN[C@@H](C)C1 1574936535 MIHXEQFZEOLIPD-STQMWFEESA-N 382.490 -0.720 30 20 GBED C=CCCn1cc(C(=O)N2C[C@@H](NCC(=O)NCc3cnn[nH]3)[C@H](C)C2)nn1 1575100516 RJQPTAWBUGHXPG-TZMCWYRMSA-N 387.448 -0.661 30 20 GBED COCC#CCN1CC[C@@H](NC(=O)C2CCN(Cc3cnn[nH]3)CC2)[C@@H](O)C1 1576954006 ULVRAQQJHHXRQU-MSOLQXFVSA-N 390.488 -0.782 30 20 GBED C#CCNC(=O)[C@@H](C)NC[C@@](C)(NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 1588353109 GWWQPHZGNLFOHB-ADLMAVQZSA-N 384.444 -0.179 30 20 GBED C#CCOCCC(=O)NCCN1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1588361299 JOFBQKFOQHLJFY-UHFFFAOYSA-N 384.444 -0.460 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)O)C2)C1 1592222323 UVIJQYMFODTIAJ-JJMZSNKZSA-N 393.487 -0.135 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)c(C)n1 1602721221 AVOUBFPXCIWCLM-ZFWWWQNUSA-N 384.444 -0.443 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCCN(CC(N)=O)CC1 1609493703 RLGRAWGVNYOSFW-HNNXBMFYSA-N 382.428 -0.431 30 20 GBED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]n1)CCO2 1779103872 CBBCPTRFMWPFJQ-PAPVNEROSA-N 392.416 -0.223 30 20 GBED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1781691057 WLONRWPTWRHEOU-CKEIUWERSA-N 385.486 -0.539 30 20 GBED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1785423966 KYSNUCOHRBRPCW-FQEVSTJZSA-N 395.419 -0.054 30 20 GBED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCOC4=O)C[C@@H]32)CC1 1786693345 MROBBFGPLWLPAE-IHRRRGAJSA-N 376.413 -0.278 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=N)N)[C@H]2C1 1786807756 BSFOLZBIMWZDEI-XDQVBPFNSA-N 381.477 -0.978 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1C)C2 1793342489 QFUOYQDJFDVRLO-ZXFNITATSA-N 387.436 -0.373 30 20 GBED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)OC)C2 1793352807 OBFOQCFPXYLGDP-XOIINTDNSA-N 383.445 -0.085 30 20 GBED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C(=O)O)ncn2)CC1 1794367094 XXTPVFAUSBQNIX-GNXNZQSNSA-N 385.380 -0.318 30 20 GBED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)nc2ccccn12 1800778162 DQNBRQLDKBUBLE-HBCWATKFSA-N 396.403 -0.066 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cocn3)C2)C1 1831391342 NRWYPYJYXJOZGA-KDOFPFPSSA-N 377.397 -0.217 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1831438204 MOTVMABDKKDQKT-BAPGRXHISA-N 394.468 -0.074 30 20 GBED C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1831601905 IACAGUANFPQHBM-SCLBCKFNSA-N 378.429 -0.742 30 20 GBED N#CCC(=O)N1CCC(N2CCC(NC(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1833761174 LZYAEXUHVVNRCB-CQSZACIVSA-N 390.444 -0.930 30 20 GBED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835436294 UDGNCMMEHZWUIX-INIZCTEOSA-N 389.399 -0.258 30 20 GBED Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1835628641 DJULEZYLUUNTDD-MEDUHNTESA-N 384.458 -0.046 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1840158378 KUXFMDMYTCHOHS-SCLBCKFNSA-N 395.481 -0.226 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@]1(F)Cl)CCO2 1840247610 DEORITKEWZEHDL-KNXALSJPSA-N 388.779 -0.545 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1840842817 CDZZZUBXTOIUDY-BEFAXECRSA-N 377.441 -0.453 30 20 GBED CCNC(=O)CN1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 91515722 ZXWMJDKYRVVENO-QGZVFWFLSA-N 378.521 -0.568 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[C@H](C(N)=O)O3)CC2)cc1 276521479 ZVGSUQNDFROEHP-HUUCEWRRSA-N 392.437 -0.576 30 20 GBED C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C(N)=O)O1 277281938 SHRSILUGWYUSFR-WQVCFCJDSA-N 385.424 -0.057 30 20 GBED CN(Cc1ccc(C#N)cc1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 280978913 NAZNUVYBLBIQFP-NVQRDWNXSA-N 396.407 -0.054 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(S(C)(=O)=O)cc2)C1=O 284120804 NKPPRXLHAXPMOB-OAHLLOKOSA-N 393.465 -0.048 30 20 GBED COc1ccc(CNS(=O)(=O)N(C)C[C@@H](C)C#N)cc1S(N)(=O)=O 288647120 QAUKFOKHYQSPBQ-JTQLQIEISA-N 376.460 -0.232 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 292222956 AEIJOMROJWCULB-XHSDSOJGSA-N 379.457 -0.066 30 20 GBED CCN1CCN(C(=O)/C(C#N)=c2\s/c(=C/c3ccccn3)c(=O)n2CC)CC1 298654929 ABTUARMQDADTQV-GNHVOERASA-N 397.504 -0.008 30 20 GBED Cn1c(C/N=C(/O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)nnc1C1CCC1 329736625 LODZQRZETLVPJT-UHFFFAOYSA-N 386.416 -0.014 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@]3(C2)NC(=O)NC3=O)CC1 333175423 QXGSZWZVLNLRAE-RDTXWAMCSA-N 376.461 -0.647 30 20 GBED CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(O)(CC#N)C1 349458001 SVLILMOXIXSPFP-UHFFFAOYSA-N 398.466 -0.130 30 20 GBED CC(C)C1(O)CN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)C1 349470366 CPJRKTKLVRPWEY-UHFFFAOYSA-N 381.520 -0.027 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(CC(=O)OCC)CC2)C1=O 377479741 XZEFTSZJGBOJCI-UHFFFAOYSA-N 380.401 -0.939 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCCNc2nccc(C(F)(F)F)n2)CCO1 410123522 PRSYPGWEVLMGDF-SECBINFHSA-N 380.352 -0.034 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCNC(=O)c2cccnc2)cc1 514892560 DZPQDBKIVVROLS-UHFFFAOYSA-N 387.421 -0.222 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)CC1 525986742 SLCOJNFQTNZYSB-KGLIPLIRSA-N 392.437 -0.576 30 20 GBED Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)NCC#CCO)cc1C 581557826 WOMGJNCXCMLQLD-OAHLLOKOSA-N 381.454 -0.672 30 20 GBED COCCCNC(=O)CN(C)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 582455587 AXNALJCHXHQCAP-UHFFFAOYSA-N 382.442 -0.552 30 20 GBED CN(C)CCS(=O)(=O)c1ccccc1C(=O)NCCn1cnc(C#N)n1 588020918 PIVMPSUKFKUMDJ-UHFFFAOYSA-N 376.442 -0.085 30 20 GBED CNS(=O)(=O)Cc1ccc(CNC(=O)NCCn2cnc(C#N)n2)cc1 588086710 JEEGJAIAXBGSLZ-UHFFFAOYSA-N 377.430 -0.302 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccnc3C(=O)O)CC2)c1C#N 595237667 HEJTWTSHHNMGPE-UHFFFAOYSA-N 397.395 -0.019 30 20 GBED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CC(N)=O 727160939 LZUONPKRPNYNNF-UHFFFAOYSA-N 387.465 -0.363 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)NC(=O)NCc2cccs2)CC1 728572901 PNNCFPNSHKHRRE-UHFFFAOYSA-N 377.470 -0.559 30 20 GBED C[C@H](C(=O)OCC(=O)N(C)C(C)(C)C#N)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745450348 ZMHUCNJGVJWMJG-JIFFNSBPSA-N 377.397 -0.159 30 20 GBED C#CCN1CCN(C(=O)Cn2nc(C)c(S(=O)(=O)N(C)CC)c2C)CC1 749873371 FTVYJPDKXSXTIB-UHFFFAOYSA-N 381.502 -0.082 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2ccc(C)c(F)c2)CC1 761024980 RZAFUJFMNHUGOT-UHFFFAOYSA-N 382.461 -0.164 30 20 GBED COc1cc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1O 771898196 WAKGTXVLOZYBGH-UHFFFAOYSA-N 382.398 -0.499 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)C1=O 787119809 YKMYOSDUYNENRL-IRXDYDNUSA-N 392.500 -0.009 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OC)n2)c1=O 790429191 OPSJHISZCWSYQR-UHFFFAOYSA-N 398.444 -0.788 30 20 GBED C=CCN1CC[C@@H](OC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)C1=O 798585809 CNZOJCPHDMPMAC-OAHLLOKOSA-N 397.453 -0.010 30 20 GBED COCCN(CCNS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 800098629 AZEBJNVXIUQIGR-ZDUSSCGKSA-N 392.478 -0.071 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c1 808158505 YREHSNKZPGYBRW-HOTGVXAUSA-N 377.466 -0.121 30 20 GBED C#CCCN(CCOC)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 828040905 QPRWMIGJNIBBEG-HNNXBMFYSA-N 386.452 -0.021 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](OC(=O)N(C)C)C2)c1=O 840108965 ZKNMCXRKQZNNRJ-AWEZNQCLSA-N 393.444 -0.336 30 20 GBED C[C@H](CC(=O)NCc1nc(C(N)=O)co1)/N=C1/NS(=O)(=O)c2ccccc21 855342758 RDAMQSATWJRWDP-SECBINFHSA-N 391.409 -0.093 30 20 GBED C#CCCN(CCOC)C(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 856386131 LSXSUPJDKKMOMO-UHFFFAOYSA-N 381.410 -0.260 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(CN(C(=O)[C@H]3OCCO[C@H]3C)CCO2)C1 965408924 JOTUTDKQMPLXEF-FZKCQIBNSA-N 380.441 -0.179 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CC(=O)Nc2cc(C)nn2C)C[C@@H]1O 1083853781 NJQCDOINLQQFLZ-KRXQYRFLSA-N 391.472 -0.190 30 20 GBED CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N)N1CCCC1=O 1110194895 HGKGSDPFUSUCGK-LDDOYCOJSA-N 375.473 -0.005 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCC(=O)N1CCOCC1 1111362155 PHTUCNISDVSCDV-OAGGEKHMSA-N 378.473 -0.351 30 20 GBED CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)c1 1118210844 CUUFKRZATLZDKK-QGZVFWFLSA-N 379.438 -0.276 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC(C#N)(C(=O)OC)CC2)C[C@H](C)O1 1118327391 GUGFDFLKXSXAGH-RYUDHWBXSA-N 381.385 -0.919 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C[C@H]1c1cncn1C 1130994384 XVCKKAAIFCJMAP-QBPKDAKJSA-N 386.500 -0.606 30 20 GBED C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1 1171943271 PGRWXDKEJUXOIR-TUKIKUTGSA-N 375.404 -0.021 30 20 GBED C#CCCN1CCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)CC1 1254211249 MTPFNLPCHIHCTP-UHFFFAOYSA-N 380.470 -0.078 30 20 GBED COCCN(C)CCNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1257604427 PPYZZFVFSUMNNB-AWEZNQCLSA-N 389.460 -0.920 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CCCN(CC(N)=O)C2)cc1 1318458952 CBZJJFJTQQORCH-OAHLLOKOSA-N 378.454 -0.461 30 20 GBED C#CCOc1ccccc1CNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 1323323030 HSMJGKOUDDDYNZ-UHFFFAOYSA-N 395.419 -0.076 30 20 GBED COC[C@H](CNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1325697136 NNKLXUFHXKIPQA-OLZOCXBDSA-N 376.417 -0.837 30 20 GBED COCCN(CCOC)C1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1326268384 TWIFIJQLCRNYID-IBGZPJMESA-N 396.488 -0.551 30 20 GBED C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)C(=O)N1CC[C@@](O)(CC#N)C1 1326822794 KARMBZVDGNPVRL-HFAKWTLXSA-N 390.362 -0.079 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)C1=O 1327163633 CUUNOPAFWMLBPF-CVEARBPZSA-N 390.484 -0.004 30 20 GBED COC(=O)c1cc(CNC(=O)C(=O)N2CC[C@@](O)(CC#N)C2)ccc1OC 1332201613 JYXZUMOXZCKOSG-SFHVURJKSA-N 375.381 -0.025 30 20 GBED C#CCN1CCCC[C@H]1c1nnc(N2CCN(C(=O)Cn3cnnn3)CC2)n1C 1525858141 GQLJZKYMMKVFPQ-HNNXBMFYSA-N 398.475 -0.689 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](CO)CN1CCCC1 1569932349 OGYZVJLTRCFXKJ-UKRRQHHQSA-N 380.470 -0.202 30 20 GBED N#Cc1cccnc1N1CC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H](O)C1 1571140810 UFBDKECFWUFZAR-OCCSQVGLSA-N 379.384 -0.169 30 20 GBED C=CCOCC(=O)N1C[C@@H](NC(=O)[C@@H]2CCCN2Cc2cnn[nH]2)[C@H](OC)C1 1575110684 YBDVYNIWOCRKRL-OWCLPIDISA-N 392.460 -0.686 30 20 GBED C[C@@H](NCC(=O)NCc1cnn[nH]1)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 1575670731 JOUVJCURMOWNPH-ABAIWWIYSA-N 386.416 -0.860 30 20 GBED Cc1cc(N2C[C@H](O)[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)c(-c2nn[nH]n2)cn1 1580976353 FEAPKLUKBRHRSP-HIFRSBDPSA-N 379.384 -0.251 30 20 GBED C=CCOCC(=O)NC[C@@]1(O)CCN(c2ncc(-c3nn[nH]n3)cc2F)C1 1588674609 QEMKWAFKPGOMPL-INIZCTEOSA-N 377.380 -0.339 30 20 GBED COCCCS(=O)(=O)N1CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 1591418426 BTYSRRUJMNKEDU-UHFFFAOYSA-N 393.433 -0.983 30 20 GBED CNC(=O)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1711291215 PFBMEXFPCMDHSN-VXGBXAGGSA-N 375.433 -0.270 30 20 GBED CN1CC[C@](O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)C1 1729597917 SKPRGKCSRFNIAE-PBFPGSCMSA-N 375.433 -0.975 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)CN)C1 1778003526 SVJPWFRKZMKDAE-QMTMVMCOSA-N 396.488 -0.704 30 20 GBED N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)n2)C1 1778016793 YINYESJIXKLUSH-SJKOYZFVSA-N 375.385 -0.071 30 20 GBED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2 1780739622 ROWWURKOTFHKSV-QMTMVMCOSA-N 396.488 -0.704 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1783564737 KXZAFGYLCWTLCB-SFHVURJKSA-N 383.364 -0.739 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784112760 SGNISGTVUSTZEI-WMZOPIPTSA-N 395.481 -0.304 30 20 GBED CCOC(=O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785525997 WKNLJNZORRGWES-SFHVURJKSA-N 380.397 -0.506 30 20 GBED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C)CC3)[C@H]2C1 1788195065 GBWFZRBQGCHENM-UGUYLWEFSA-N 384.546 -0.468 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](N)[C@@H](C)CC)C2 1792485186 FMQXXBALYWUXIS-BJDJKKQBSA-N 392.500 -0.192 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn(C)c1=O)C2 1793340560 ZMOOMUJWOUKQPE-PNBKFKSVSA-N 387.436 -0.373 30 20 GBED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CS(C)(=O)=O 1793371617 PVGYMAFEVPKLEB-OFTGVCEQSA-N 378.516 -0.425 30 20 GBED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ccccc2n(C)c1=O 1796999283 ZDRFPUUBPDSJCI-FVCICTRLSA-N 380.404 -0.230 30 20 GBED C#CC(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1807948949 KNKKMBPGWZXERX-BLLLJJGKSA-N 392.379 -0.840 30 20 GBED N#CCC(=O)N1CCCC2(CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)C1 1809017996 QVWQNTIRYJMTAY-UHFFFAOYSA-N 396.513 -0.138 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccnnc2O)[C@@H]1c1cccnc1 1812879536 ATRFVIWQSZMFHJ-CXAGYDPISA-N 395.375 -0.015 30 20 GBED C[C@@H](S)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1C(=O)CNC1=O)CC2 1826013024 KTJSWAMLWGPPBT-SFYZADRCSA-N 397.482 -0.075 30 20 GBED CS(=O)(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831225753 ZALOAIUASUGDBH-GOSISDBHSA-N 398.481 -0.709 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1831401593 CQVGPDYTXVNEGG-BAPGRXHISA-N 392.452 -0.627 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1831499581 WSDMRZZGVANHLD-QIIPPGSGSA-N 399.513 -0.467 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CC#N)CCO2 1834753674 PAOOUKKCTHQTHX-JXCVUKRWSA-N 376.413 -0.785 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1834766858 AWAXBJGFYCUOJS-GOSISDBHSA-N 384.396 -0.058 30 20 GBED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)n1cncn1 1840415915 UEDZMKVNAYKRIC-HNAYVOBHSA-N 387.440 -0.291 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](O)NC(=O)OCC)C1 1844155652 DWGWWMPGEXFLNE-IDTUSYRASA-N 394.428 -0.887 30 20 GBED C/N=C(/NCC(=O)NCC(F)(F)F)N1CCN(C(=O)[C@H]2CCCO2)CC1 262522821 FOMNBYKGCPJFQR-LLVKDONJSA-N 379.383 -0.437 30 20 GBED CC/N=C(/NC[C@H](C)N1CCN(C)CC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 262581346 QUCIFNJGVISXIK-ROUUACIJSA-N 394.564 -0.089 30 20 GBED COc1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)ncn1 273892187 CTGUKXILUXANES-NSHDSACASA-N 382.384 -0.177 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1)c1cc[nH]n1 278102613 ZPQBPKXJLBEHJQ-WGBIJJAVSA-N 398.441 -0.128 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2COC[C@@H]2OC)cc1 290364269 PKIABMCGEUPNJN-GJZGRUSLSA-N 397.453 -0.038 30 20 GBED N#CC1(NC(=O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)CCCCC1 331579206 WJJBJFNFCOIURN-UHFFFAOYSA-N 391.472 -0.668 30 20 GBED CC1(C)C[C@@]1(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(O)(CC#N)C1 349458162 LMCTTXGARITMAN-AWEZNQCLSA-N 390.487 -0.722 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 349473673 YTZRFDGKNBTWIX-MELADBBJSA-N 378.520 -0.484 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N(C)[C@H]1CCN(C)C1=O 349476617 HRYRPWYOYDBQAI-RYUDHWBXSA-N 380.492 -0.958 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CCO1 409566978 HBBVWRMYALVLMB-CYBMUJFWSA-N 399.473 -0.310 30 20 GBED C=CCN(CC=C)C(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 459819395 UIOUXLOQWIRRLG-INIZCTEOSA-N 378.473 -0.422 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 485827147 ZUBVEEVGBCSWFS-ZDUSSCGKSA-N 391.409 -0.745 30 20 GBED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C1CC1 502043979 NEBNEQCKJUBUDX-NSHDSACASA-N 387.465 -0.368 30 20 GBED CCN(CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)CCC#N 502338706 NBWNCDZAPCPFBO-CQSZACIVSA-N 380.536 -0.092 30 20 GBED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(C#N)cc1F 544837494 UCEKPBGSWQKECQ-CYBMUJFWSA-N 399.400 -0.234 30 20 GBED COC[C@@H]1CN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)C[C@@H](C)O1 563168226 KBNIGCNHGDKGDE-ZBFHGGJFSA-N 387.440 -0.136 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](n2cncn2)C1 594636732 YMILINVMZAYJCV-OLZOCXBDSA-N 390.491 -0.582 30 20 GBED CNC(=O)N1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 748404889 VFCPVQWFZIZMLJ-GFCCVEGCSA-N 393.469 -0.013 30 20 GBED C#C[C@H](NC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[C@@H]1CCCO1 773786808 KXCSYUVDJXNEDC-GJZGRUSLSA-N 375.429 -0.549 30 20 GBED N#CCc1ccccc1CC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 776968727 VRPMYTQRXHLDFA-UHFFFAOYSA-N 384.436 -0.175 30 20 GBED C[C@H](OC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)NC1(C#N)CCC1 787720263 JNKXGNPDXOVUBA-QPKSUZNQSA-N 375.381 -0.357 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2c(O)ccc(Cl)c2F)c(=O)n(C)c1=O 790172527 QDOZXMHAMARCMV-UHFFFAOYSA-N 390.780 -0.106 30 20 GBED N#CCNC(=O)CNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 804820680 LJQDOELBTFKWKJ-UHFFFAOYSA-N 384.389 -0.784 30 20 GBED CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(OC)c(C#N)c1 809503579 DWAPITZDTRTDTC-CQSZACIVSA-N 394.453 -0.277 30 20 GBED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CNC[C@@H]1C#N 834510481 BMJVZDDALPSXJJ-SWLSCSKDSA-N 394.453 -0.443 30 20 GBED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3CC[C@@H]4COC(=O)N[C@H]4C3)C2)nc1 843253960 LEHBINBQGFEYJB-KFWWJZLASA-N 399.407 -0.110 30 20 GBED O=C(N[C@@H]1CCCN(O)C1=O)c1cncc(C(=O)N[C@@H]2CCCN(O)C2=O)c1 848132043 HANAAEGLMBXDLB-CHWSQXEVSA-N 391.384 -0.698 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)NN2CCS(=O)(=O)CC2)ccc1F 862737080 MNPARTREZOXROX-UHFFFAOYSA-N 391.446 -0.335 30 20 GBED C=CCCn1cc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@@]45COC[C@@H]4C5)C[C@@H]32)nn1 960444923 DCNIUBOYBRKFJP-AMVTXUCVSA-N 387.440 -0.058 30 20 GBED NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCO[C@@H]3CN(C(=O)C#CC4CC4)C[C@@H]32)O1 960696975 PAPHAOXWBDDRQC-LTIDMASMSA-N 389.452 -0.349 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)n1 1117085686 JTOMNVUIQWJRJY-QGZVFWFLSA-N 388.516 -0.136 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCC(N(C)S(=O)(=O)CC)CC2)nn1 1118178568 QRDNIFXAKDRHHA-UHFFFAOYSA-N 398.489 -0.647 30 20 GBED COCC#CCN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 1129271311 AHHBIUXWAYKPSL-MLHJIOFPSA-N 383.456 -0.193 30 20 GBED N#CCN1CCC(NC(=O)C(=O)NCCNC(=O)c2c(F)cccc2F)CC1 1322621777 JWCOTCFTNRVUMK-UHFFFAOYSA-N 393.394 -0.085 30 20 GBED Cn1cc(N2CCN(C(=O)C(=O)NCc3ccc(OCC#N)cc3)CC2=O)cn1 1322724206 YLXNLOLSEWBSRL-UHFFFAOYSA-N 396.407 -0.186 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CCO1 1325670127 PDSSYFTYKYLRGZ-GHMZBOCLSA-N 378.335 -0.063 30 20 GBED C=CCn1c(CC(C)(C)O)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1340297953 YWGMYTGHNAACFE-UHFFFAOYSA-N 392.504 -0.242 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)CC1 1346169894 XSKJOIOXNKZJOI-UHFFFAOYSA-N 399.451 -0.219 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC2(C(=O)O)CCOCC2)c1 1574489824 QVNXHCRUCAKNIP-UHFFFAOYSA-N 381.410 -0.166 30 20 GBED C[C@H](C#N)C(=O)N1CCC(N(Cc2cnn[nH]2)C(=O)[C@@H]2CCC(=O)NC2)CC1 1575176255 FJHLGWYAZHIDAI-CHWSQXEVSA-N 387.444 -0.190 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[nH]n2)cn1 1588403976 AVYSQHDWUHRATA-KGLIPLIRSA-N 388.432 -0.378 30 20 GBED C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588404304 HCVSHKKPJNTMRL-IINYFYTJSA-N 388.432 -0.100 30 20 GBED C=CCNC(=O)NC(=O)CN(C)[C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588658990 WYVXDJUJGFZQJD-JTQLQIEISA-N 389.420 -0.743 30 20 GBED C=CCn1cc(C(=O)N(C)CCCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 1588710758 AHYMDERBQTZHAE-UHFFFAOYSA-N 384.404 -0.136 30 20 GBED CO[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@@](C)(C(=O)O)C1 1606762321 BIHYPAFYBVIHAG-MLGOLLRUSA-N 381.410 -0.073 30 20 GBED Cn1c(N2CCc3c(sc(N)c3-c3nn[nH]n3)C2)c(C#N)c(=O)n(C)c1=O 1609476403 BCPIRYZHXHBSQD-UHFFFAOYSA-N 385.413 -0.658 30 20 GBED CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CCC#N)C(=O)O)cc1 1777035705 PWYUABRJLRIWEH-GFCCVEGCSA-N 375.428 -0.028 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)CC1 1782956375 ACVVPKMEHUTXAC-GUYCJALGSA-N 381.454 -0.303 30 20 GBED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@H]2C1 1784801409 CMQGJRXREWURSF-KKUMJFAQSA-N 388.424 -0.415 30 20 GBED CC(=O)N1CCN(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)CC1 1786367406 KKZJMMXFPRIMTO-ULQDDVLXSA-N 391.472 -0.956 30 20 GBED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]2C1 1786884281 DMSYYIVAQCFTOL-AJNGGQMLSA-N 398.529 -0.522 30 20 GBED N=C(N)SCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791075967 JAPBZMSDXVICGU-SRVKXCTJSA-N 382.442 -0.929 30 20 GBED CCOC(=O)O[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077540 FSFRGGODACSJRT-XUXIUFHCSA-N 396.396 -0.384 30 20 GBED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2C1 1791393075 ZYWCCZCYYCJZMF-IHRRRGAJSA-N 388.424 -0.559 30 20 GBED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)C1 1792437428 TUXRAMFMGIGMPQ-QVHKTLOISA-N 376.413 -0.860 30 20 GBED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2 1795083673 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C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 499760128 AKONTHSKPKDWSI-UHFFFAOYSA-N 386.405 -0.567 30 20 GBED CN(CC(=O)Nc1ccn(CC(N)=O)n1)S(=O)(=O)c1ccc(C#N)cc1 515977595 YIHUMPJCJPTSQL-UHFFFAOYSA-N 376.398 -0.501 30 20 GBED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 580199787 ADNTULWHTFXYAJ-ZFWWWQNUSA-N 381.410 -0.639 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)CC1 590991451 OBNOEYJTHBYSHE-ONMISFSYSA-N 381.436 -0.170 30 20 GBED N#CCNC(=O)CNC(=O)C(=O)Nc1nn(-c2ccc(F)cc2)c2c1CCC2 594298509 TYYQEOXNOBYKGD-UHFFFAOYSA-N 384.371 0.195 30 20 GBED CCN1CCN(CCCCNC(=O)C(=O)N2CCN(CCC#N)CC2)CC1 602228961 SHJRMGUBIPAHFQ-UHFFFAOYSA-N 378.521 -0.422 30 20 GBED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(N)=O 608911357 BZZVZOUIUJATLA-UHFFFAOYSA-N 388.424 -0.438 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1=O 726042687 MFLCFGIRFYOEPD-APPDUMDISA-N 378.385 -0.051 30 20 GBED COC(=O)[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 728537768 AUGHOZVQCLYDQJ-ZDUSSCGKSA-N 395.437 -0.094 30 20 GBED C#CCNC(=O)C1CCN([C@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)CC1 747969226 WAKXKYVBFLWUMW-ZBFHGGJFSA-N 383.514 -0.128 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccnn2CC)c1=O 758067250 FYIXSPHNLUJAOX-UHFFFAOYSA-N 399.476 -0.585 30 20 GBED COC[C@@](C)(C#N)NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 771577053 AHIGCIOLTHHUOA-CYBMUJFWSA-N 383.206 -0.063 30 20 GBED CCN(CCC#N)C(=O)COC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 785660356 JXOZOIBRDVQUPT-OAHLLOKOSA-N 380.445 -0.528 30 20 GBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1 787741313 WLOVOVVZEASXNY-WDEREUQCSA-N 383.430 -0.419 30 20 GBED C#CCC[C@H](O)CNC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 798417604 WJKBVPAFTCQMMW-LBPRGKRZSA-N 384.414 -0.053 30 20 GBED C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 839337649 WJBSFYKMFURZOE-NVXWUHKLSA-N 383.452 -0.088 30 20 GBED C#C[C@@H](C)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N=c2nc(C)[nH]n2C)cc1 848554300 SOBCBSVOJPIHHE-LLVKDONJSA-N 397.482 -0.012 30 20 GBED C#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)CC1 848943643 UFEBFMHXOBUMKR-UHFFFAOYSA-N 396.494 -0.182 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CNc2ccc(S(C)(=O)=O)cc2)CC1 874342973 PZBXWYUCIFJFRJ-UHFFFAOYSA-N 392.481 -0.604 30 20 GBED C#Cc1cncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CN2CCNC(=O)C2)c1 1000177195 FSWNBTYQINLIJP-IKGGRYGDSA-N 381.436 -0.644 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1ccc(-n2cnnn2)cc1 1110071286 TZBOFPSXUANCKY-PMPSAXMXSA-N 380.412 -0.363 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1(NC(N)=O)CCCCC1 1111099911 YBHKTRQIBOFUDR-KFWWJZLASA-N 375.473 -0.172 30 20 GBED C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)C1 1147958427 FHCDGJOJOIDXOJ-LUKYLMHMSA-N 375.469 -0.290 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1O 1196790044 GUNQSKHHYFGEOI-YJNKXOJESA-N 375.491 -0.932 30 20 GBED Cc1ccc([C@@H](CNC(=O)C(=O)N2CCO[C@H](C#N)C2)N2CCOCC2)o1 1256923071 HIJHMEAONWDFGX-HUUCEWRRSA-N 376.413 -0.172 30 20 GBED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1318501175 UZUHWMAMFJEBLZ-HDRCJFCASA-N 389.456 -0.286 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2cnn(CCOC)c2)CC1 1323496562 CIIVKSLNEMODDP-UHFFFAOYSA-N 375.429 -0.866 30 20 GBED CNC(=O)CCCN(C)C(=O)C(=O)N1CCN(c2snc(C)c2C#N)CC1 1325067524 RGPYLJPAQBIRPU-UHFFFAOYSA-N 392.485 -0.044 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)N2CC(=O)NC[C@H]2c2ccccc2)CC1 1335164741 WBHKZEBFFOVQBW-KRWDZBQOSA-N 396.447 -0.326 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2CCSCCC=C)CC1 1337542328 MDPDHNHEPXIANQ-UHFFFAOYSA-N 385.519 -0.428 30 20 GBED CS(=O)(=O)NCCNC(=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 1344916484 GNGMPGKAFDGGHP-UHFFFAOYSA-N 391.371 -0.162 30 20 GBED C=CCC1(C(=O)NC[C@@H](O)CN=c2cc[nH]cc2-c2nn[nH]n2)CCOCC1 1573326667 SUUJWPOUDGVJLW-ZDUSSCGKSA-N 387.444 -0.055 30 20 GBED CCO[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 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C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)N(C)C)CCO3)C2)C1 1830039179 QPWHUQSJYVHUSE-IBGZPJMESA-N 394.472 -0.320 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cnc3ccccn13)CCO2 1830668216 XXJNQAGVLHMYMZ-HXUWFJFHSA-N 382.420 -0.034 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1831388010 OVAGWKZSJWGOOT-PXNSSMCTSA-N 393.484 -0.423 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3CC(F)(F)C3)C2)C1 1840040442 LREWHSCHLNKJJM-MRXNPFEDSA-N 386.351 -0.424 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CNC(=O)N(C)C)C2 1841053276 FWPUZZLTFQZMSY-SREVYHEPSA-N 377.445 -0.681 30 20 GBED CCN1CCN(CC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C(=O)C1=O 268428921 XVNRVXBLCFQTLQ-ZDUSSCGKSA-N 385.428 -0.924 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)C1=O 269131261 HJJWRWOWLGLADB-GJZGRUSLSA-N 392.456 -0.153 30 20 GBED C#Cc1ccccc1CC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 289496846 JNKPWQNBYCYZQZ-UHFFFAOYSA-N 390.509 -0.153 30 20 GBED C[C@@H](C(=O)N1CCOCC1)N1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 332818534 UTWQZXNIROQFMF-HNAYVOBHSA-N 377.489 -0.340 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCNC(=O)C[C@@H]1C 349602235 PYJNMLMESKGPSD-STQMWFEESA-N 394.519 -0.520 30 20 GBED COc1cc(C#N)ccc1OCC(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 516317752 QBQUQZIQTRTKGL-CYBMUJFWSA-N 395.437 -0.293 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc1 518019495 PWXXYLHUGLFGJC-CYBMUJFWSA-N 376.438 -0.036 30 20 GBED C[C@H](CNC(=O)C(=O)NCCSCc1ccccc1C#N)S(N)(=O)=O 541014651 XZXACILOPPWQFK-LLVKDONJSA-N 384.483 -0.299 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O 543529069 FXORKLVEQNPQQB-UHFFFAOYSA-N 380.426 -0.634 30 20 GBED C[C@H](NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[C@H]1CN(C)CCO1 589139364 WATUKXLJIPFWEQ-GOEBONIOSA-N 386.456 -0.563 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 734494460 JOLLHOPFYXXDKO-UHFFFAOYSA-N 380.426 -0.041 30 20 GBED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCNc1ccc(C#N)cn1 755155203 QFDAHNOJOIQBGF-LLVKDONJSA-N 377.430 -0.418 30 20 GBED C=CCS(=O)(=O)CCNC(=S)NCc1ccc(S(N)(=O)=O)cc1 782891136 YRPKQZGQHPWKJB-UHFFFAOYSA-N 377.513 -0.101 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](CCNC(C)=O)C2)c1=O 808219351 YWQXHGTYNOXRHK-INIZCTEOSA-N 391.472 -0.261 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)[C@@H]1CCCO1 809304356 IPZKZLCEIPLQLE-GJZGRUSLSA-N 385.424 -0.874 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCC(CN2CCN(C)CC2)CC1)[C@@H]1CCCO1 809311237 GTRDEMKQPOAUEC-MSOLQXFVSA-N 376.501 -0.231 30 20 GBED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(CC(=O)O)cc2)CC1 825619359 LBYCIRAJVCOZBS-UHFFFAOYSA-N 393.465 -0.241 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)N1CCC(C(=O)O)CC1 828499917 JTWKBWGGKBSUME-GFCCVEGCSA-N 394.457 -0.100 30 20 GBED C[C@H]1NC(=O)N(CCOC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O 837321361 GWZUSEVONSJTSM-SNVBAGLBSA-N 380.382 -0.680 30 20 GBED C#CC[C@H](NC(=O)c1ccc(C(=O)N[C@H](CC#C)C(=O)OC)cn1)C(=O)OC 837948571 WZRPJXSTKGIPTC-CABCVRRESA-N 385.376 -0.329 30 20 GBED NC(=O)[C@]1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCOC1 848319006 FKXCWYQPQJRQBK-INIZCTEOSA-N 380.426 -0.734 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCN2C(=O)OC[C@@H]2C1 848958937 NMFYDCKTFQCSJS-NEPJUHHUSA-N 394.475 -0.984 30 20 GBED C=CCn1cc(C(=O)N2CCO[C@H](CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1 944791680 HBZYNNRYQKTXLS-KQTLUZQSSA-N 375.429 -0.011 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)nc2)C[C@H]1OC 946820008 LLROIHVXOBIZEF-DMRZNYOFSA-N 388.424 -0.273 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCOCC1=O 1006389698 RNNMEKNPQWUSPE-SUJAAXHWSA-N 377.441 -0.316 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncc(OC)cn2)C1 1024883163 LPOCAIGTNPKCQD-YJNKXOJESA-N 376.413 -0.232 30 20 GBED N#Cc1ccc(N2CCN(C(=O)[C@@]34COC[C@@H]3C4)[C@@H]3CS(=O)(=O)C[C@@H]32)nc1 1054787889 DZGHPYULBIMIEQ-AFIMGQEJSA-N 388.449 -0.196 30 20 GBED N#Cc1cccnc1N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)Cn1cncn1 1092979646 FSLPJOKVHIPWPG-KFWWJZLASA-N 380.412 -0.413 30 20 GBED C#CCNC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1CCS(=O)(=O)CC1 1111085839 FMOQUKQETGMEAL-XZDPQHSOSA-N 381.498 -0.329 30 20 GBED Cn1c(=O)[nH]c(N2CCO[C@H](c3ccc(S(C)(=O)=O)cc3)C2)c(C#N)c1=O 1187130225 JTPKFTMBVBCLBO-AWEZNQCLSA-N 390.421 -0.073 30 20 GBED Cn1c(-c2cnc(O)c(C#N)c2)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 1263630614 RHXRRAABVRLQQL-LBPRGKRZSA-N 377.430 -0.028 30 20 GBED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N(C)C)CCOC1 1296663503 ISGNACFLHZSKFD-GUYCJALGSA-N 378.433 -0.253 30 20 GBED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1 1321663808 ZXAYZFTYCJVBFR-ZDUSSCGKSA-N 396.421 -0.294 30 20 GBED CCCN1CC[C@H](CNC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1322961641 IOBHZKYCSBUKKI-JFVSRZABSA-N 377.445 -0.523 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3C[C@H]4CCCCN4C3=O)CC2)nc1 1325977767 JLEZIKHSFYRMNO-HZPDHXFCSA-N 396.451 -0.129 30 20 GBED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CC[C@@H](Oc2ccncc2)C1 1326596391 JWFMJQGXKFVLMD-UVTIVQHFSA-N 399.407 -0.296 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1327260443 ZWAIEZLKXIVCNL-INIZCTEOSA-N 395.481 -0.022 30 20 GBED Cc1cc(C)n2ncc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)c2n1 1343441624 GTIHSTDYJMZOGH-LBPRGKRZSA-N 375.410 -0.074 30 20 GBED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cnnn1C 1360240533 JTYGBOSWAIPHAA-CQSZACIVSA-N 398.475 -0.230 30 20 GBED CCN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1501389810 XOLTXLLZQIGZIV-ZDUSSCGKSA-N 375.433 -0.279 30 20 GBED N#C[C@H]1CN(c2nnc(-c3ccccn3)n2CC(=O)N2CCOCC2)CCO1 1505322171 JXXZIQGUQOGQNH-AWEZNQCLSA-N 383.412 -0.072 30 20 GBED C=CCn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1[C@]1(O)CCOC1 1520628515 WJFNVDJAACSSEK-IBGZPJMESA-N 390.488 -0.184 30 20 GBED C#CCCOc1ccc(C(=O)NC2CN(CC(=O)NCc3cnn[nH]3)C2)cc1 1574894823 IBJMXFQFVQSLTG-UHFFFAOYSA-N 382.424 -0.063 30 20 GBED C[C@H](OCc1cnn[nH]1)C(=O)NCCN(CCO)C(=O)c1cc(C#N)c[nH]1 1575878062 PPAIYSSNGPJXEX-NSHDSACASA-N 375.389 -0.840 30 20 GBED C#CCN(C(=O)c1cnon1)C1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 1588348788 NOGGLMMYOSXRMP-UHFFFAOYSA-N 380.372 -0.216 30 20 GBED C#CCNC(=O)CC(=O)N[C@H](C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588354430 MUZLWQOOJPHDCO-MNOVXSKESA-N 386.416 -0.653 30 20 GBED C#CCOCCC(=O)NC[C@H]1COCCN1c1nc(C)cc(-c2nn[nH]n2)n1 1588362205 YAWCMIAXFZOWMQ-ZDUSSCGKSA-N 386.416 -0.674 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 1588665869 SDJTWZYUNHZKJZ-OASPWFOLSA-N 375.389 -0.913 30 20 GBED N#CCCN1CCN(C(=O)C(=O)N2Cc3ccc(-c4nn[nH]n4)cc3C2)CC1 1592677100 YJPZQFWVLNKRFH-UHFFFAOYSA-N 380.412 -0.233 30 20 GBED N#CCSCC(=O)N1CCC[C@](CO)(Nc2cncc(-c3nn[nH]n3)n2)C1 1592680136 GIKWGXVXZLCIIE-HNNXBMFYSA-N 389.445 -0.321 30 20 GBED C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1C 1602721211 AFNLGIQMDPTQML-FMKPAKJESA-N 395.471 -0.057 30 20 GBED C=CCn1cc(C(=O)N(C)C[C@@H](O)CNc2ccc(-c3nn[nH]n3)nc2)nn1 1602882713 RZFBCGPCWNENNA-LBPRGKRZSA-N 384.404 -0.416 30 20 GBED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C(C)=O)CC2)C1 1778912308 ZRRHZAHPJZXXIP-YLJYHZDGSA-N 390.484 -0.702 30 20 GBED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)COCCO)CCO2 1779104975 IJWMBDHGGWJQEX-SKTBVBMLSA-N 399.444 -0.646 30 20 GBED N[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1)c1ccccn1 1791076066 LICMEULHGQPEGS-ATZCPQFDSA-N 386.408 -0.851 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(Cl)n3)C[C@@H]21 1791076580 AEBZJGRINMMSHK-GVXVVHGQSA-N 392.799 -0.189 30 20 GBED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21 1791270973 GFCMTWNLTZOARP-JYJNAYRXSA-N 387.436 -0.305 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)n(C)n1)C2 1793344595 JJCYAZCQPORAAM-VWPFQQQWSA-N 390.440 -0.330 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnn1C 1794228313 OBTXWKBQLCIVCU-AYRXBEOTSA-N 377.445 -0.409 30 20 GBED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)CC2 1826013869 WWSMJHKQPDYFFT-OOZYFLPDSA-N 397.482 -0.029 30 20 GBED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CN)C2)C1 1830638036 CSTXBYSMVQKIAT-LPHOPBHVSA-N 380.489 -0.503 30 20 GBED Cn1cc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cn1 1831225669 XLFFAHZQWMHULH-FQEVSTJZSA-N 386.452 -0.168 30 20 GBED O=C(Cn1cnnn1)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1834873848 URDOMCVBSPVIDC-UHFFFAOYSA-N 385.472 -0.342 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338598 MYYGEXXLPUOFNU-KXBFYZLASA-N 375.425 -0.215 30 20 GBED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836361448 REQVKCVHUUOCPJ-RCBQFDQVSA-N 384.546 -0.401 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836868906 UMDOBSDOYZORHV-SFHVURJKSA-N 384.396 -0.287 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1840840664 GSTFUTNEGVNTKJ-SFHVURJKSA-N 379.413 -0.692 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1840842175 RYCHKTWNQRGKSD-GOSISDBHSA-N 390.396 -0.629 30 20 GBED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)CC1 263723183 SUTGVQRKXRRZKL-UHFFFAOYSA-N 381.396 -0.473 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1cc(N)c([N+](=O)[O-])c(C#N)c1)C2 286108310 AHMMWISMORXBST-UHFFFAOYSA-N 386.372 -0.485 30 20 GBED C[C@](O)(CC(=O)N1CCN(C/C(O)=N/[C@H]2CCS(=O)(=O)C2)CC1)C1CC1 328773670 KBSFNTIUZSRNPV-YOEHRIQHSA-N 387.502 -0.175 30 20 GBED CN(C)C1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cccc(C#N)n2)C1 349509002 YBUIFACRLDFTDE-UHFFFAOYSA-N 387.487 -0.339 30 20 GBED COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 368240942 MPBNXWYGFCKOFX-UKRRQHHQSA-N 398.379 -0.398 30 20 GBED CNS(=O)(=O)c1ccc([C@H](C)NS(=O)(=O)N2CCO[C@H](C#N)C2)cc1 409571854 RYKIMBVXRHSVHF-WCQYABFASA-N 388.471 -0.286 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 409828157 LLDFOVYRCYJAQB-QWHCGFSZSA-N 382.508 -0.599 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@](C)(O)CN2CCOCC2)c1 443244269 YMFAZOJHLXZCCD-SFHVURJKSA-N 397.497 -0.036 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@@H]1CC(N)=O 457070850 WCMYKRUDOFAGFA-AAEUAGOBSA-N 380.426 -0.672 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccccc2OCCO)C1=O 506148761 MQINNSGHJOANEN-OAHLLOKOSA-N 375.425 -0.081 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NCC(F)F)CC2)cc1 541567528 BVFLOAUHEPIXJE-UHFFFAOYSA-N 386.380 -0.228 30 20 GBED COC(=O)CN(CC#N)C(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 575125487 FTXIURWNOPXNFD-UHFFFAOYSA-N 385.398 -0.493 30 20 GBED N#CCNC(=O)CNC(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 580230861 AQJAFLQQGBJBRG-UHFFFAOYSA-N 385.428 -0.099 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)C2CCN(C)CC2)CC1 672011672 VENXRNLWXXDHFH-HNNXBMFYSA-N 379.505 -0.721 30 20 GBED Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cn1C 727006500 MGRBXOYXJZUBHR-OAHLLOKOSA-N 383.430 -0.642 30 20 GBED Cn1ncc2c(=O)n(CC(=O)Nc3ccc(-c4nn[nH]n4)c(C#N)c3)cnc21 737629504 WSEKJHHHJILZKJ-UHFFFAOYSA-N 376.340 -0.180 30 20 GBED N#Cc1ccc(CNC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 745479336 SIIBKUHYCFXKPS-DTDBQYNISA-N 397.387 -0.120 30 20 GBED N#Cc1ccsc1N1CC[C@H](OC(=O)Cn2cc(S(N)(=O)=O)cn2)C1=O 751656519 KWGGEAZCKZXXLR-NSHDSACASA-N 395.422 -0.188 30 20 GBED C#CCNC(=O)C1CCN(C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1 755258076 NQRXAUCUAMSWJD-QAETUUGQSA-N 398.463 -0.036 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1Cn1cc(S(=O)(=O)N(C)C)cn1 756877636 XHVXSWKKPAXYPC-ZDUSSCGKSA-N 390.473 -0.037 30 20 GBED CC(C)[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(N)=O 767678277 YEPPTAHTFUSFBQ-GWCFXTLKSA-N 396.425 -0.012 30 20 GBED CC(C)[C@](C)(C#N)NC(=O)COC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 825369907 JELWQQDDOATRKX-KRWDZBQOSA-N 390.400 -0.969 30 20 GBED COC(=O)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)O 831128816 NSBQBQGVEPENDX-SKDRFNHKSA-N 383.382 -0.642 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(C)c(=O)c3ccccc23)CC1 831568909 ULHJWGOVOTWGNZ-UHFFFAOYSA-N 388.449 -0.236 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NC[C@](C)(C(=O)O)c1ccccc1 846327480 PTQRQLSRUUWGGW-KRWDZBQOSA-N 382.438 -0.138 30 20 GBED C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2ccncc21 848965940 YHUTTWJKLUTAOS-ZDUSSCGKSA-N 386.499 -0.001 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 850605945 NKWJKPDRQZCZPE-JSGCOSHPSA-N 384.385 -0.296 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2CC(=O)NC2=O)cn1 999325154 FEFCPQTXXZFWHJ-ILXRZTDVSA-N 381.392 -0.524 30 20 GBED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCN(C)[C@@H]3C)C[C@H]2O)nn1 1023922243 QYUAEKOIMBVGQD-IXYNUQLISA-N 376.461 -0.504 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCN2CCNC2=O)C[C@@H]1n1ccnn1 1070031179 JBYYGDIXHBXUHV-WCVJEAGWSA-N 389.460 -0.764 30 20 GBED C=CCN1CC[C@H](N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CN2CCOCC2=O)C1=O 1097232381 PQGXUXHWFPHIRC-WCVJEAGWSA-N 376.457 -0.646 30 20 GBED N#CCN1CCC(NC(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)CC1 1258234723 GYIGAJOCDUHWFI-INIZCTEOSA-N 377.489 -0.339 30 20 GBED C=CCOC[C@@H](NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)C(=O)OC 1321260553 RZWAIVWCKSJROS-CYBMUJFWSA-N 389.416 -0.404 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1325056334 SLFJMZAPAVXMQQ-QGZVFWFLSA-N 394.428 -0.016 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCC(=O)N3CCCC3)C2=O)cc1 1327079250 WSXMPKNZCDOVQB-INIZCTEOSA-N 397.435 -0.486 30 20 GBED C=CCn1c(CCCS(C)(=O)=O)nnc1N1CCN(CC(=O)N(C)C)CC1 1340341826 CNZNKHIKAIBRPY-UHFFFAOYSA-N 398.533 -0.349 30 20 GBED C[C@@H](Cn1ccnc1)NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1340656868 IOAVYNMXRCUFJU-KBPBESRZSA-N 382.428 -0.213 30 20 GBED N#C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)C1 1341767659 YVKHNYPMZLGCHB-DLBZAZTESA-N 377.489 -0.339 30 20 GBED C[C@H]1[C@@H](C)N(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC[S@@]1=O 1344898330 KETIHOQFVXLLHI-VXKZXEGRSA-N 389.481 -0.030 30 20 GBED Cn1c(=O)[nH]c(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C#N)c1=O 1472647121 UCDHBGGTKWHVGD-UHFFFAOYSA-N 392.393 -0.242 30 20 GBED C=CCn1c([C@@H]2CCNC(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1520453428 OFRJYAJABISRNZ-CQSZACIVSA-N 375.477 -0.332 30 20 GBED C=CCNC(=O)[C@@H](C)N1CC[C@H](NC(=O)C2CCN(Cc3cnn[nH]3)CC2)C1 1575104949 XZCFOLZHUSLLIT-ZBFHGGJFSA-N 389.504 -0.102 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588504912 MTKVMGFXKOWEGY-ZBEGNZNMSA-N 377.405 -0.929 30 20 GBED CCN(CCOCCN=c1nc[nH]cc1C#N)c1ncncc1-c1nn[nH]n1 1590715565 JDACLSFGUAUNCG-UHFFFAOYSA-N 381.404 -0.305 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(O)(C(=O)O)C3)CC2)cc1 1601110590 FQSWOOHDTZMNQY-UHFFFAOYSA-N 393.421 -0.383 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)CCCO1 1602795308 ZJCNZEPVTWHQQI-SJKOYZFVSA-N 388.432 -0.305 30 20 GBED CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN(CC#N)CC(=O)O 1606045612 PONRAYMIQNIUNX-UHFFFAOYSA-N 389.455 -0.379 30 20 GBED C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(C)(=O)=O 1723917644 XEULKUJPVAWJJL-WDEREUQCSA-N 392.507 -0.329 30 20 GBED COC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1781400541 SJPARKOTKVGHMB-SUMWQHHRSA-N 384.433 -0.027 30 20 GBED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1784598563 UTIUSRNZSVWGHE-VBQJREDUSA-N 393.448 -0.135 30 20 GBED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21)N1CCN(C)CC1 1789798926 WYSDSTDFTPRLSV-QZWWFDLISA-N 377.489 -0.484 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)CC)[C@H]2C1 1790813063 UFHXWYKEVQULQX-BQYGTXGQSA-N 377.441 -0.196 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)nc3)C[C@@H]21 1791076737 GXSVDFVVGYPZMY-IHRRRGAJSA-N 375.356 -0.098 30 20 GBED Cc1cnn([C@H](C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1 1791078136 UVJCEJKRBPCDKB-UGUYLWEFSA-N 388.424 -0.180 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CC(O)C1)C2 1792484745 MLPDGWRNFMGZRF-BVTILMFLSA-N 377.441 -0.795 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCS(C)(=O)=O)C2 1792569912 RVXNBSLEWYMJCM-BSBPSHLESA-N 397.497 -0.082 30 20 GBED CN1CCN(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)CC1 1795408015 KDFXYAVEHYGEKY-ALXJQNPVSA-N 389.500 -0.483 30 20 GBED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCNC1=N)C2 1800543957 APBKMZJHZMNHMX-DABQJJPHSA-N 385.415 -0.373 30 20 GBED N#CCC(=O)N1CCCC2(CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)C1 1809018265 FJJQAMMISXFSJQ-UHFFFAOYSA-N 384.400 -0.429 30 20 GBED CCS(=O)(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831209183 SXWHQEONULRUEP-SFHVURJKSA-N 398.481 -0.709 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1831391311 MXZXKRBXUFWWEW-HNAYVOBHSA-N 390.440 -0.472 30 20 GBED Cn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)cc1O 1833404036 LCOYSGJGEWWIDP-KRWDZBQOSA-N 377.401 -0.501 30 20 GBED C[C@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)C(F)(F)F 1834755699 JBVTZEOOGFHKJG-UONOGXRCSA-N 379.335 -0.330 30 20 GBED Cn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)cc1O 1835354127 MRCFEOLOGPQPHP-KRWDZBQOSA-N 377.401 -0.501 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnn3)CCO2)C1 1837868505 CWZGIIVJFUUMBF-HNAYVOBHSA-N 388.424 -0.415 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=S)NCC)CCO2 1839655966 ZLDGIABDGDZMEP-QGZVFWFLSA-N 384.502 -0.497 30 20 GBED CN(C)CCCN(CCC#N)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 69576437 UIHIOFSXGGVOBW-HUUCEWRRSA-N 384.502 -0.284 30 20 GBED CCN1CCN([C@@H](C)CN/C(=N/C)N2CCN(c3cnn(C)c3)C(=O)C2)CC1 261851760 XKXTUKUZXDXCDK-INIZCTEOSA-N 390.536 -0.330 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 265036235 GZZKXMSSMKFLGF-UHFFFAOYSA-N 381.436 -0.428 30 20 GBED N#C[C@@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 266869683 PEIZDKBORKODKQ-QGZVFWFLSA-N 392.481 -0.115 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O 268828150 VCVGTUDBGPXULO-QMTHXVAHSA-N 390.421 -0.369 30 20 GBED COC(=O)Cc1nnc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)[nH]1 268894226 YUKHBMMCFXFWDM-VIFPVBQESA-N 392.397 -0.303 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 274809716 XMUZNTYSIRASGV-UHFFFAOYSA-N 398.427 -0.035 30 20 GBED CC[C@]1(C)NC(=O)N(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1=O 278865880 SGOABXHLKBUKAR-QFYYESIMSA-N 393.425 -0.023 30 20 GBED C=CCCCCCN(C)C(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 298195435 FTQXMXDCTCZLHB-UHFFFAOYSA-N 377.449 -0.451 30 20 GBED C[C@H]1CC[C@@H](C)N1CCN1CCN(/C(O)=N/CCNS(C)(=O)=O)CC1 330652411 YPTYVMBOJJRMFK-GASCZTMLSA-N 375.539 -0.060 30 20 GBED N#CCC1(O)CN(S(=O)(=O)c2ccccc2S(=O)(=O)NC2(C#N)CC2)C1 349444298 CJQXNMQRUAHWAA-UHFFFAOYSA-N 396.450 -0.330 30 20 GBED N#CCN1CCN(S(=O)(=O)CCCCS(=O)(=O)Nc2ccon2)CC1 349593687 SIFSESFLMRHRLA-UHFFFAOYSA-N 391.475 -0.333 30 20 GBED Cc1nn(C)c(N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)c1C#N 410419932 ILRJLVVYDJMHJE-ZDUSSCGKSA-N 379.446 -0.809 30 20 GBED N#Cc1cccc(CNC(=O)C(=O)N2CCC[C@H](C(=O)N3CCNCC3)C2)c1 419083083 VXUVNGFJUUQINA-KRWDZBQOSA-N 383.452 -0.155 30 20 GBED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCOCC(N)=O)n2)c(Cl)c1 441871835 KDYNCGIURVTYQY-UHFFFAOYSA-N 390.787 -0.046 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1 445131145 FVGXOSCCMLNFNI-UHFFFAOYSA-N 387.440 -0.288 30 20 GBED Cc1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cn(C)c1=O 446526722 MRAPQJNXZQHFGI-UHFFFAOYSA-N 375.429 -0.293 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCc1nc(O)n[nH]1 487942429 JGBYLCXYWIISFI-JTQLQIEISA-N 378.414 -0.202 30 20 GBED CN1CC[C@@H](N(C)S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N)C1=O 575429946 IJVKJSLLRLKXAJ-LLVKDONJSA-N 380.492 -0.910 30 20 GBED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C 575831554 RAKAFWOOFWZJGM-UONOGXRCSA-N 395.551 -0.037 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC(=O)NCc2ccco2)c1 583159594 JKKYWEVPRVNMTH-UHFFFAOYSA-N 376.394 -0.138 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(N2CC[C@@H](O)C2)C1 593856417 WDSAZMPVGIHLTH-IUODEOHRSA-N 378.454 -0.498 30 20 GBED C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)nn1 665182559 OABDNCLKBAEQCO-UHFFFAOYSA-N 380.434 -0.597 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)NCCCN2CCCC2=O)cc1 727008497 OAHOULHZDOMLGM-UHFFFAOYSA-N 386.408 -0.040 30 20 GBED COC(=O)CN(CC(=O)OC)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 728561697 ZVOYQSNTECDQAH-GOSISDBHSA-N 388.380 -0.069 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)NCCOCCS(C)(=O)=O)c1 742308776 LIRPVXDQASEOMB-UHFFFAOYSA-N 390.483 -0.058 30 20 GBED C[C@@H](CC(=O)N1CCS(=O)(=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742625110 KPHFSQOPDKVZNC-NSHDSACASA-N 385.467 -0.239 30 20 GBED Cc1oc(NC(=O)COC(=O)CNS(=O)(=O)c2cn(C)cn2)c(C#N)c1C 756466340 YWSNXPIXXABFAG-UHFFFAOYSA-N 395.397 -0.038 30 20 GBED N#Cc1c2c(cn(CN3CCN(C(=O)C(=O)N4CCCC4)CC3)c1=O)CCC2 766611446 FZBSNJNNSRFWAG-UHFFFAOYSA-N 383.452 -0.067 30 20 GBED CCOC(=O)CON=C(C(=O)Nc1ccc(=O)n(CCO)c1)c1cc[nH]n1 844088827 BRRAPDUZHPIFQY-UHFFFAOYSA-N 377.357 -0.514 30 20 GBED C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2ncccc21 848964534 AWCFFMWPXQRXBL-ZDUSSCGKSA-N 386.499 -0.001 30 20 GBED CS(=O)(=O)N1CCN(CC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1 870096700 SAZURUIVNJLVEJ-UHFFFAOYSA-N 391.497 -0.216 30 20 GBED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@@H]2O)CC1 966003941 AGICYPIKZOAKBV-DZVNLGKHSA-N 375.469 -0.413 30 20 GBED Cn1c(O)ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2c[nH]c(C#N)c2)c1=O 996126292 MRYUPMQXSKAEIY-XBFCOCLRSA-N 382.380 -0.139 30 20 GBED C#Cc1cncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)Cn2c(O)nnc2O)c1 1004820077 UDUYAUSMWMQQSV-MCIONIFRSA-N 382.380 -0.373 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1O 1023960402 JMVRGWKGRDULQR-TVFCKZIOSA-N 393.484 -0.086 30 20 GBED Cc1cc(C#N)nc(N2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)n1 1049680387 ZYAATBMRHCUKFX-BFJAYTPKSA-N 384.440 -0.026 30 20 GBED Cn1c(=O)ccn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccncc2C#N)c1=O 1055235459 QHKUUQHBXZASPW-YCPHGPKFSA-N 380.408 -0.260 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(Cc2cc(=O)n3nccc3[nH]2)C[C@@H]1O 1083471006 ZJUKINJNNQBSKV-WCVJEAGWSA-N 387.440 -0.335 30 20 GBED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CCc2nnc(O)nc2O)cn1 1093061451 UCZBCQSPRIDUBH-RTXFEEFZSA-N 382.384 -0.197 30 20 GBED Cc1nnc(CNC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C 1117169695 HFUFUCQTDMFYLY-NSHDSACASA-N 383.416 -0.861 30 20 GBED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(CS(C)(=O)=O)ccc1OC 1117430753 NYHZXTRGZPCRRX-UHFFFAOYSA-N 383.426 -0.403 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccccc2)C(=O)C1 1119079886 NVQWGJZFMXQDGM-UHFFFAOYSA-N 379.438 -0.421 30 20 GBED N#Cc1cc(F)ccc1N1CCN(C(=O)C(=O)NC[C@@H]2COCCO2)CC1 1119106012 QVWHZLKNKRPXPK-OAHLLOKOSA-N 376.388 -0.122 30 20 GBED C=C(C)CN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1194824103 DGNMPBIUUCYYOT-OKAVUVSYSA-N 377.485 -0.004 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)CCN1C1CC1 1261860712 FNDOAHIPQLTBLK-DOTOQJQBSA-N 375.473 -0.634 30 20 GBED Cn1ncc2c(N3CCN(C(=O)C(=O)Nc4cnn(CC#N)c4)CC3)ncnc21 1319553777 NXSOSISDNLNGFK-UHFFFAOYSA-N 394.399 -0.629 30 20 GBED C#C[C@@H](NC(=O)C(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1)[C@@H]1CCCO1 1323709564 AIMOZLHAEYYMTH-CVEARBPZSA-N 399.513 -0.150 30 20 GBED COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCC#CCO 1327096624 IQJONKNYOHZFBI-CQSZACIVSA-N 382.438 -0.660 30 20 GBED CN(C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCNC1=O 1327107266 HAAVBICAYATQPL-GJZGRUSLSA-N 383.408 -0.878 30 20 GBED C=CCn1c(C2CCN(CCO)CC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1340416050 ULHZDMCCRJLZRK-KRWDZBQOSA-N 392.504 -0.023 30 20 GBED CN1C(=O)c2ccc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cc2C1=O 1341885457 MJTIJWBQHQVSIB-ZDUSSCGKSA-N 389.389 -0.508 30 20 GBED N#C[C@@H](C(=O)CN1Cc2ccccc2C1=O)C(=O)N1CCS(=O)(=O)CC1 1515068276 WBTCVVHURFICEQ-AWEZNQCLSA-N 375.406 -0.392 30 20 GBED C#CCN(C(=O)C(N)=O)C1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 1573283815 VTAVXNUMNBJEGV-UHFFFAOYSA-N 385.403 -0.083 30 20 GBED C=CCCn1cc(C(=O)N[C@H](C)CCN=c2cc[nH]c(-c3nn[nH]n3)n2)nn1 1573341724 PHQXCJXALBWKCD-LLVKDONJSA-N 383.420 -0.133 30 20 GBED C#C[C@@H]1COCCN1C(=O)C(=O)N(C)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 1588331233 PSUZLTJYWFOCGE-CABCVRRESA-N 384.396 -0.781 30 20 GBED C#CCN1CCC(C(=O)NC[C@@H](C)N(C)c2cnc(-c3nn[nH]n3)cn2)CC1 1602718250 PTNVEPGLWXPIGC-CYBMUJFWSA-N 383.460 -0.057 30 20 GBED C#CCOCCNC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1=O 1602729620 YTINYWWFPRKIPS-HNNXBMFYSA-N 383.412 -0.083 30 20 GBED COCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779016772 OSQIKNNIXNNRGO-CVNFFVDQSA-N 396.488 -0.049 30 20 GBED CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)S)C1)C(=O)O 1782181423 MPJNBKLOTHOIFH-APNQJHFZSA-N 387.502 -0.119 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1782620700 HXJXOKWPGOFARP-CHKIPVGVSA-N 377.441 -0.106 30 20 GBED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1783892447 IHEPQWATTDRUDP-HWPZZCPQSA-N 380.426 -0.063 30 20 GBED CC(=O)NCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784645130 HQPJZZHCBXWCDS-KKUMJFAQSA-N 393.440 -0.784 30 20 GBED CNC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1793282925 NPTJOBMUPSWJMM-CWPLJXCYSA-N 384.436 -0.174 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ncccc3n1)C2 1793342942 BEOPQTQRRFIYSE-AFIMGQEJSA-N 397.435 -0.029 30 20 GBED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)n1cnnn1 1830063936 AZJRLPSWPGKKNB-DYVFJYSZSA-N 391.432 -0.760 30 20 GBED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1831216384 NHSDPTFSLBMCRT-SFHVURJKSA-N 375.381 -0.136 30 20 GBED CNC(=O)CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1831263682 FNUGIHGXDXZSNU-NVXWUHKLSA-N 387.502 -0.467 30 20 GBED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 1831673348 HVDHZFDYPUTQSG-GJZGRUSLSA-N 375.425 -0.170 30 20 GBED Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)s1 1833805307 NGYBDWIMRJSGTO-KRWDZBQOSA-N 393.421 -0.390 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)CC1 1835348491 ZHWIHKQFTLCXHT-AUUYWEPGSA-N 390.440 -0.727 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)[C@@H](C)CC)CCO2 1835589336 RYHUFLWFGMLCNH-XLSPSMHOSA-N 395.500 -0.146 30 20 GBED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)CNC3=O)CCO2 1837150407 ZKZCJUSQDWINRU-FQEVSTJZSA-N 398.419 -0.086 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840234398 OWZHDSHLAGYSPM-BEFAXECRSA-N 377.441 -0.618 30 20 GBED O=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@@H]3CCCCO3)C2)CN1 1844302608 DOHDJWGLFRSPBZ-NQBICTHYSA-N 378.429 -0.145 30 20 GBED C[C@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)N1CCN(C)CC1 290483563 MAELUYYFGIGVOJ-CQSZACIVSA-N 379.486 -0.411 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)CC[S@](=O)C1 349456265 IMWRXZQBHOVNFJ-YTEVENLXSA-N 397.544 -0.618 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(CC(N)=O)C1 349459710 VRBFHJKMDIWISO-UHFFFAOYSA-N 386.455 -0.673 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O 349465856 YMUGNFCPVGQFNP-XQQFMLRXSA-N 392.503 -0.923 30 20 GBED C=CCN1C(=O)C(=O)N(Cc2nc(CC(=O)N3CCSCC3)no2)C1=O 350891908 RVBQAIFXMQXMKV-UHFFFAOYSA-N 379.398 -0.336 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 378195475 XBHIUBQEZREXHD-HNNXBMFYSA-N 386.518 -0.766 30 20 GBED CCC[C@@H](O)[C@H](CO)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 411781114 IRNYIRXPMQRQEI-DZGCQCFKSA-N 389.387 0.460 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@@H](C)[C@@H](CN)C1 423544022 NUXOIAJDJXDOPB-ILXRZTDVSA-N 385.472 -0.171 30 20 GBED N#CCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 426424483 HNIHIEYLBXDZNN-UHFFFAOYSA-N 393.425 -0.053 30 20 GBED N#C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CCO1 482567168 UMPNSVUOTBPEJJ-GFCCVEGCSA-N 381.414 -0.141 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@@H](CS(C)(=O)=O)C2)n1 556408111 VPOYYJXGHYNZIF-LLVKDONJSA-N 381.458 0.341 30 20 GBED CN1CCC(C#N)(NC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 560473818 CEHKEMKPPSEGLQ-UHFFFAOYSA-N 376.442 -0.055 30 20 GBED CCC[C@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC(N)=O)cc1 577123994 CCFDKJFTNKWXEH-LLVKDONJSA-N 388.471 -0.237 30 20 GBED N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@H](CO)NC(N)=O)CC3)n[nH]2)cc1 598157154 SECZUWVFIOUEII-HNNXBMFYSA-N 383.412 -0.374 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)CC(=O)N2CCN(C)CC2)CC1 602989121 DMFSSOXBWQDARP-QGZVFWFLSA-N 378.521 -0.615 30 20 GBED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1 756745668 GXCRIUFSQSXZOE-HZMBPMFUSA-N 391.409 -0.272 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2C(=O)OC)CC1 761037221 NGOZTENPRWYTCU-UHFFFAOYSA-N 394.453 -0.503 30 20 GBED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCC(=O)NS(C)(=O)=O 763442721 ABQQOWGFATUXOA-UHFFFAOYSA-N 392.441 -0.267 30 20 GBED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2c(C)cnn2C)c1=O 795196783 BKVUQTBXEZRDSC-UHFFFAOYSA-N 399.476 -0.759 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)[C@H]1CCCO1 809305447 CZZKQMXLDDDGNB-QLFBSQMISA-N 397.439 -0.542 30 20 GBED C#CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)OC 843904631 AQNLYZMAGYOLFW-CQSZACIVSA-N 381.410 -0.396 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](O)C[C@H](C(=O)OC)C2)cc1 844112562 YYMKQKSDEBQJLP-KBPBESRZSA-N 380.422 -0.406 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)CN3CCOCC3=O)C[C@]2(C)C1 993049271 VHGPRGPKWKQYRJ-KSVNGYGVSA-N 391.468 -0.257 30 20 GBED N#Cc1cnc(N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)c2cc(=O)n3[nH]cnc3n2)cn1 1055066548 NJQQYTZFWDOZBZ-MDZLAQPJSA-N 377.368 -0.381 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NCc2ncnn2C)C1 1070293973 FCKXDCINQCJMPO-IVSAIRAKSA-N 386.460 -0.071 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1cncn1 1110074332 OPEWMBXVNMTZIK-CRWXNKLISA-N 375.433 -0.600 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1117436183 HJKQQXYKZARHES-AWEZNQCLSA-N 393.444 -0.423 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2CC2SCCS2)CC1 1120321910 CKKKDMFTVKQLBF-UHFFFAOYSA-N 389.532 -0.931 30 20 GBED CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 1318573222 JHPQMLROODKNMW-CQSZACIVSA-N 381.410 -0.201 30 20 GBED CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1 1321951758 HLHQHUCQMFWYSA-AWEZNQCLSA-N 380.426 -0.897 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2CCCCS2(=O)=O)CC1 1323732034 TWBHVANMVGEIBC-CQSZACIVSA-N 383.470 -0.942 30 20 GBED CCN(CCCN1CCCC1)C(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1324575673 IGLNLIRQRPZFHB-MSUUIHNZSA-N 391.472 -0.037 30 20 GBED CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)N2CC[C@](O)(CC#N)C2)C1 1326265251 ZEONUWXTKXUZDJ-ZWKOTPCHSA-N 381.429 -0.318 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCC2(N3CCOCC3)CCOCC2)nn1 1332045603 WGPBSMDFASHOPB-UHFFFAOYSA-N 392.460 -0.922 30 20 GBED CN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1cnc3c(C#N)cnn3c1)C2 1346043730 HVTILHNHEAVMCM-UHFFFAOYSA-N 381.400 -0.937 30 20 GBED CCN(C1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1)S(C)(=O)=O 1443763746 SRMYQHKNGVPBIL-UHFFFAOYSA-N 397.457 -0.517 30 20 GBED C#CCN(Cc1cnn[nH]1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCOC1 1574954005 GGCRSNBCOTVRRW-SUMWQHHRSA-N 386.416 -0.862 30 20 GBED N#CCc1cccc(C(=O)N2CC(n3cc(-c4nn[nH]n4)c(O)nc3=O)C2)c1 1581859644 NQBREPBVMHVRRF-UHFFFAOYSA-N 378.352 -0.108 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCC2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 1588355296 FRIMPZNJTYXLQG-LBPRGKRZSA-N 383.412 -0.092 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CNc1ncc(-c2nn[nH]n2)cc1F 1588500087 QOAQHGVXKZWDOG-MEDUHNTESA-N 379.396 -0.041 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1 1588500104 QQOCODBJKLDAPO-YVEFUNNKSA-N 375.433 -0.156 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@@]1(C)CN(c2nccnc2-c2nn[nH]n2)CCO1 1588504387 KICKEGBGMGIZOP-IRXDYDNUSA-N 388.432 -0.305 30 20 GBED C=CCOCCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O 1588682327 MDMYPPHUOGVVJS-STQMWFEESA-N 388.432 -0.305 30 20 GBED C=CCn1cc(C(=O)N2CC[C@H](N(C)c3cncc(-c4nn[nH]n4)n3)C2)nn1 1588711877 XCWWQCUPRUIMRL-NSHDSACASA-N 381.404 -0.215 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)c1nc(C)cc(-c2nn[nH]n2)n1 1602794152 JFWZHJFNZWYPLO-SJCJKPOMSA-N 390.448 -0.452 30 20 GBED C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)O)C1 1602901857 ZLHHGGHFLNCOIL-VXGBXAGGSA-N 376.417 -0.168 30 20 GBED CCOC(=O)C1([S@](C)=O)CCN(c2cnc(-c3nn[nH]n3)c(C#N)n2)CC1 1604368222 JLYLVQWFESPXQX-MHZLTWQESA-N 390.429 -0.191 30 20 GBED CS(=O)(=O)[C@@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C[C@H]1C(F)(F)F 1605359312 OZOYLLCCAWODNJ-HTRCEHHLSA-N 388.335 -0.060 30 20 GBED N#C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC(C(=O)NCCO)CC1 1606337209 RQSUZDGCDYGELP-INIZCTEOSA-N 397.439 -0.104 30 20 GBED CCN1CCN(C(=O)CC2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)CC1 1639467208 NGSSONWPBRVPIM-UHFFFAOYSA-N 388.472 -0.284 30 20 GBED Cc1ccn(C[C@@](C)(O)C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c(=O)c1 1643403550 MCDJKOZNTUEYTG-GOSISDBHSA-N 386.412 -0.022 30 20 GBED CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1747221684 VGPBXNXAHLTTIL-KGLIPLIRSA-N 398.489 -0.033 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2 1779336015 ZGJKIAKOTVMQKI-XTDOFWJNSA-N 382.505 -0.641 30 20 GBED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CN)C[C@@H]21 1783531062 KSAKVPQVWUORJT-JQCNWOQKSA-N 378.473 -0.581 30 20 GBED C#CCCCC(=O)N1CC[C@@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1783903183 HTUJWJRTWHFGPY-FQEVSTJZSA-N 387.436 -0.065 30 20 GBED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3n(n1)CCNC3=O)C2 1793566114 HKMLHNYQYICMER-APIJFGDWSA-N 399.451 -0.083 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncnn1C)C2 1797706983 BCIICEMHWDIMSD-XJFOESAGSA-N 377.445 -0.409 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(CO)on1)C2 1797711860 MLAPWJALCGVJIC-NOXHYTERSA-N 393.440 -0.057 30 20 GBED Cc1nnc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)s1 1800773866 VDQKHLFWCYXWIC-DPIQGUFMSA-N 392.437 -0.543 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1831391294 MPLBBQKJHKOZBD-DNVCBOLYSA-N 390.440 -0.472 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1831434376 WUEAVTBXMRKZBJ-VCBZYWHSSA-N 395.456 -0.830 30 20 GBED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1831477535 HKZFBFPOVLPMNI-PXAZEXFGSA-N 387.502 -0.324 30 20 GBED COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1835244337 XJZYKAHCBUCKSV-SFHVURJKSA-N 381.429 -0.590 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)CC1 1835407590 GBYVAICSRROZGO-IBGZPJMESA-N 390.440 -0.631 30 20 GBED CC(C)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1837603253 GNZUUVAPQCSHEX-KDOFPFPSSA-N 382.413 -0.656 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839635943 GIXDSLOHMYAPFH-RXVVDRJESA-N 396.447 -0.158 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1839806471 PVFJVURDSKSMAR-XLIONFOSSA-N 386.404 -0.084 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1840166240 ZEOPQCIYPQHSMU-WWGRRREGSA-N 383.474 -0.386 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846460359 FTFBCQWUCWCBHP-CYBMUJFWSA-N 375.425 -0.312 30 20 GBED Cc1nn2cc(CC(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)C#CC(=O)O)nc2s1 1847978614 MHDXQCKIOJUWCT-STQMWFEESA-N 387.421 -0.068 30 20 GBED COc1cc(C#N)ccc1OCC(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 264201244 UKRXVALGMOAVDU-GFCCVEGCSA-N 395.437 -0.293 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2csc(CS(C)(=O)=O)n2)c1=O 266007538 KWQGWVUEJZQODL-UHFFFAOYSA-N 398.466 -0.407 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)ccc1F 270903063 ZZWLGWIPVACPRB-GFCCVEGCSA-N 399.444 -0.045 30 20 GBED CNC(=O)[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCO1 272855152 RFENPWOZGWYHMT-BXUZGUMPSA-N 380.426 -0.802 30 20 GBED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@](C)(O)CN(C)C 273401294 WYSNLVHTMZAFQI-GOSISDBHSA-N 378.429 -0.049 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC2(N3CCCC3)CCOCC2)C1=O 286313714 XDSBWNZYTACROY-INIZCTEOSA-N 392.500 -0.007 30 20 GBED C#CC[C@H](NC(=O)CNS(=O)(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1 291093907 QVSFUKDPPKVTIB-GJZGRUSLSA-N 384.479 -0.026 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1=O 298016614 ZUQHQKNMXMBAEG-INIZCTEOSA-N 396.451 -0.153 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N[C@@]2(C#N)CC2(C)C)CC(=O)N1 349506774 UBUCCACCRNOGRA-BXUZGUMPSA-N 392.503 -0.862 30 20 GBED CC[C@@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N 349517577 FSMUGOYPFHMAEV-VXGBXAGGSA-N 380.492 -0.910 30 20 GBED CN([C@@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 349519578 ISXPZGNLQJJJHM-GFCCVEGCSA-N 391.475 -0.526 30 20 GBED CCOC(=O)c1n[nH]c(C2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)n1 410391319 TZILIWKMQGXSAO-GFCCVEGCSA-N 398.445 -0.370 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CCN 418837195 VXLFCLZJYCDDCZ-UXLLHSPISA-N 380.489 -0.070 30 20 GBED N#Cc1ccc2c(c1)N(C(=O)C(=O)N(CCO)[C@H]1CCS(=O)(=O)C1)CC2 433660145 OLBCMTONQDOERJ-AWEZNQCLSA-N 377.422 -0.545 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1=O 439588546 RZQZEIDGEJIJTM-HNNXBMFYSA-N 376.461 0.466 30 20 GBED COCc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)c1 440379238 HKMUQLQJUVTGQP-UHFFFAOYSA-N 399.472 -0.045 30 20 GBED CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 440999922 MMCMVBMSPMQXQM-AWEZNQCLSA-N 392.460 -0.400 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)n1 442061501 UBKIWFHQQYJOGW-CYBMUJFWSA-N 376.461 0.578 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCOC[C@H]1C[C@H](C)O 442505465 HFOXZBLIIMXRQB-DZGCQCFKSA-N 398.423 0.384 30 20 GBED COCCCNC(=O)CN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481143684 MZAYSRBKROLWIE-ZDUSSCGKSA-N 396.469 -0.164 30 20 GBED N#CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 511895825 KJJXXFOURAXAME-UHFFFAOYSA-N 383.405 -0.519 30 20 GBED C=CCN(CC(=O)N1CCN(c2cnccn2)CC1)[C@@H]1CCS(=O)(=O)C1 553209353 AWQYDWGTDCPYCM-OAHLLOKOSA-N 379.486 -0.200 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CN(CC(C)C)CCO2)C1=O 555731070 WAYKKQWCBYVRSJ-CVEARBPZSA-N 380.489 -0.295 30 20 GBED COC(=O)[C@@H]1CN(C(=O)C(=O)NCCn2cnc(C#N)n2)c2ccccc2O1 557811331 GVPLRHPRVYCHFK-ZDUSSCGKSA-N 384.352 -0.767 30 20 GBED C[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cccc(S(=O)(=O)N(CC#N)CC#N)c1 563429781 CIRODSONLTUDPT-CHWSQXEVSA-N 398.466 -0.132 30 20 GBED CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](CN)C1 569323434 VBKVMCBUSZVYHN-IRXDYDNUSA-N 398.467 -0.729 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2nnn(C)n2)cc1 578549407 LBWXNTQVJPYZCW-JTQLQIEISA-N 399.458 -0.779 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2nnn(C)n2)cc1 578549408 LBWXNTQVJPYZCW-SNVBAGLBSA-N 399.458 -0.779 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NC(=O)NCC(C)C)C1=O 726042966 QCKOZSNEPYBDEV-JTQLQIEISA-N 382.373 -0.623 30 20 GBED CN(CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)S(=O)(=O)c1ccccc1 731861786 NYNKZERTXOFAAV-WUKNDPDISA-N 392.437 -0.050 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](Cc2ccc(O)cc2)C(=O)O)C1=O 736106974 NXEVOVYAKSRCHT-GFCCVEGCSA-N 389.364 -0.272 30 20 GBED Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)Nc2cnn(CC#N)c2)s1 746450643 HYOPXKVHROOJLV-UHFFFAOYSA-N 396.454 -0.190 30 20 GBED CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 746943073 QTHPHKUDJYWMAG-LLVKDONJSA-N 387.396 -0.203 30 20 GBED C#C[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1CCCO1 775342925 XGZUTVAAIRZPTI-HOTGVXAUSA-N 393.465 -0.036 30 20 GBED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cn2ncn(C)c2=O)c1 779348502 VHRXLMQFSBTYJO-UHFFFAOYSA-N 383.408 -0.545 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H]1CCCO1 809307191 ADESEZVIRMGAMF-HUUCEWRRSA-N 387.396 -0.065 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)[C@@H]1CCCO1 809309579 NONRNGGOPQIZGZ-ULQDDVLXSA-N 390.484 -0.562 30 20 GBED C#CCOCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 819701435 HKJUJYOTWDBUGL-LLVKDONJSA-N 379.398 -0.274 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](N3CCOC3=O)C2)c1=O 853541642 UPVUNMIUISBRFW-CYBMUJFWSA-N 377.401 -0.972 30 20 GBED CCN(C)C(=O)CNC(=O)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 875314719 LXYPZQXKWYBXCB-UHFFFAOYSA-N 375.404 -0.060 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 955001858 SAZKFPJAZPGLSS-LEUOFYLZSA-N 375.469 -0.195 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ncn(C)c1=O 1003785560 ZFQJYHGVTQTWMW-ZSAUSMIDSA-N 375.429 -0.579 30 20 GBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1O 1024956378 VODGKWGZBFTENV-BNEJOLLZSA-N 383.448 -0.187 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(CCO)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 1058853637 HQGNEDIAGKEPDH-UGUYLWEFSA-N 381.473 -0.194 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1=O 1115964289 VTCCTIQMYAVMCY-UHFFFAOYSA-N 376.413 -0.176 30 20 GBED C=CCOCCN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1218617227 FRVUAWGCRXHYSO-MWDXBVQZSA-N 381.473 -0.264 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1)[C@H]1CCCO1 1256966781 FYYGFQJMINJDBK-JKSUJKDBSA-N 393.465 -0.313 30 20 GBED COCCO[C@H]1C[C@H](CO)CN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 1321008644 GMKMCBICDPPQTE-GJZGRUSLSA-N 393.444 -0.084 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 1321697711 JQPCRJVLUPRVIK-QMTHXVAHSA-N 378.351 -0.007 30 20 GBED CN(CCNC(=O)C(=O)N1CCO[C@H](C#N)C1)S(=O)(=O)c1cccs1 1329712419 VJUNRNBNCVGIQM-LLVKDONJSA-N 386.455 -0.764 30 20 GBED C#CCOCCNC(=O)C(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1334095080 DYESRQVBTVCSED-IYBDPMFKSA-N 383.404 -0.604 30 20 GBED CN(CCNS(C)(=O)=O)CN1CC(=O)N(Cc2ccccc2C#N)C1=O 1339017226 JNNNBENIXQTLEV-UHFFFAOYSA-N 379.442 -0.239 30 20 GBED C#CCNC(=O)[C@H](C)NC[C@@](C)(NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC1 1573285211 FCHARRRGOHJHSY-BBATYDOGSA-N 384.444 -0.179 30 20 GBED C=CCOCC(=O)N1CCO[C@@H]([C@H](C)NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573343009 IAGKICRVLLBERP-SMDDNHRTSA-N 389.416 -0.257 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)CCOCc1cnn[nH]1 1575012747 GQEXIDREKAJSSA-CWRNSKLLSA-N 375.429 -0.049 30 20 GBED C=CCCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H](C)OCc3cnn[nH]3)C2)nn1 1575100153 LXKGCMOWJFKEOR-AVGNSLFASA-N 388.432 -0.045 30 20 GBED C[C@H](C#N)C(=O)N[C@H]1CN(CC(=O)NCc2cnn[nH]2)CC2(CCOCC2)C1 1575176320 FSMUAQMMNLANBW-ZIAGYGMSSA-N 389.460 -0.432 30 20 GBED N#Cc1c[nH]c(C(=O)NC[C@H]2[C@@H]3CN(c4cncc(-c5nn[nH]n5)n4)C[C@H]23)c1 1581862755 LXXBVQAPVFUALO-CNDDSTCGSA-N 376.384 -0.031 30 20 GBED C#CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[nH]n1)C(=O)OC 1588333976 KIHLPILEBRVFNE-SNVBAGLBSA-N 380.342 -0.382 30 20 GBED C#Cc1cccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2-c2nn[nH]n2)c1 1588374740 MCRXTRACJKRTDD-UHFFFAOYSA-N 379.384 -0.159 30 20 GBED N#CCNC(=O)CNC(=O)C1CCN(c2ccc(-c3nn[nH]n3)cc2F)CC1 1592677276 AOUCRFSRBUNSHH-UHFFFAOYSA-N 386.391 -0.022 30 20 GBED C=CCOC[C@H](NC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21)C(=O)O 1602909432 WKKUBAFRUFXDKV-ZDUSSCGKSA-N 375.381 -0.045 30 20 GBED CCc1nc(-c2nn[nH]n2)cc(N2C[C@@H](NC(=O)C#CC3CC3)[C@H](OC)C2)n1 1604548245 GAYDAWDFTFMKDS-ZIAGYGMSSA-N 382.428 -0.048 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)N1CC[C@@](F)(C#N)C1 1609125794 QBCJKYGNBOBMED-MEBBXXQBSA-N 393.404 -0.002 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778257778 JDSSHXXGIXITMV-IBGZPJMESA-N 396.557 -0.017 30 20 GBED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1778790069 MCOZCAZCNFEJOM-MAUKXSAKSA-N 381.429 -0.316 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778846172 GTHCCFVGZABLEQ-FZKQIMNGSA-N 390.444 -0.812 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1779311641 WVYLFEWKXOPPTF-OGWOLHLISA-N 397.472 -0.442 30 20 GBED COC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1784261020 YTVKLXOSIBODJU-KRWDZBQOSA-N 375.385 -0.314 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784335872 MFSAOBIYXFTPMC-MAUKXSAKSA-N 375.429 -0.464 30 20 GBED Cc1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)cn2[nH]cnc(=O)c12 1786367714 OFABTFUECMWGDE-QEJZJMRPSA-N 398.423 -0.162 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)ccn1C)C2 1793344139 BQJPSGDJJGRLPF-ZXFNITATSA-N 387.436 -0.373 30 20 GBED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(C)(=O)=O)C2 1793388862 GJULWTARJCNMAE-AYRXBEOTSA-N 392.543 -0.035 30 20 GBED Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)S)C3)c(=O)[nH]c1C 1794312750 XPTFSOPGPKZHDO-FVCCEPFGSA-N 380.470 -0.092 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nncn3c1)C2 1800777088 AEFZSTNUXKTCSX-FVCICTRLSA-N 383.364 -0.980 30 20 GBED CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812651534 CAZIRUHDMTVNST-HNJNHCNJSA-N 386.408 -0.300 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(C)(C)O)C2)C1 1831391107 GVILLBRQZUWFEG-HNAYVOBHSA-N 382.457 -0.358 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C=CCN3)C2)C1 1831392954 ITPLVPYYEAENFS-BXWFABGCSA-N 377.441 -0.991 30 20 GBED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](N)CN)CC2)CC1 1833470808 NCVAPLUKHCNMRZ-SFHVURJKSA-N 395.548 -0.173 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ncon4)CCO3)C2)c1 1838319823 OPZDHWYGHFGFGT-KRWDZBQOSA-N 386.368 -0.347 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)c1 1838735049 TWTJUPYGUKVWCE-IBGZPJMESA-N 398.423 -0.147 30 20 GBED CC(=O)NCCC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838755654 UJVDPXYHOYYWAC-UHFFFAOYSA-N 393.440 -0.401 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839648755 HKGMUEXFUOWENF-FERCGXDMSA-N 377.441 -0.104 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)O)CCO2 1840026682 RCCFQUQUJPBQSU-KBXCAEBGSA-N 384.429 -0.667 30 20 GBED Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cs1 1840041403 LDQAWGPHIICTCZ-KRWDZBQOSA-N 393.421 -0.390 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1840159253 ZSJKGNHNNUCFFL-SJCJKPOMSA-N 397.453 -0.526 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1840159965 SHDVHDGMNXRNJX-SUMWQHHRSA-N 385.486 -0.617 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=COCCC1)CCO2 1840217830 WOGKCQYJJOZXOL-GOSISDBHSA-N 378.381 -0.775 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1nc3ncccn3n1)C2 1841054558 OQESOQRFDQEOSY-WAYWQWQTSA-N 395.423 -0.200 30 20 GBED CC(C)(C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1847345246 NUKJCEGOXIKCAY-KBPBESRZSA-N 382.486 -0.532 30 20 GBED C#CCNC(=O)COC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 19009582 QLQNXGBOOGHTSI-UHFFFAOYSA-N 381.410 -0.394 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@@H]2C(=O)N(C)CCC)C1=O 264194739 OIVCEJSXHHYTLI-LLVKDONJSA-N 382.442 -0.267 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)C1=O 265463370 QCYNWEFNSVPGFZ-LLVKDONJSA-N 377.378 -0.392 30 20 GBED O=C(C#Cc1ccc2c(c1)OCO2)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 268583103 TVGCTDXEXWVPFD-MRXNPFEDSA-N 385.420 -0.184 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)cn1C 274241067 TZVQINUSALBMIO-UHFFFAOYSA-N 387.487 -0.332 30 20 GBED CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 275929818 NQOMEDADKVVEAJ-CQSZACIVSA-N 383.408 -0.405 30 20 GBED COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 298895659 WMKAIXNRRAQFHL-CQSZACIVSA-N 393.421 -0.637 30 20 GBED C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 299570108 ASEZWSDQUJWKIG-IAOVAPTHSA-N 393.465 -0.372 30 20 GBED Cn1ccnc1[C@@H]1CCN(S(=O)(=O)CCCS(=O)(=O)NCC#N)C1 349466924 RPNCBYHMJFNKDZ-GFCCVEGCSA-N 375.476 -0.628 30 20 GBED CC[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCn2cnnc2C1 349496768 AJQQPRICYOOBEU-GFCCVEGCSA-N 390.491 -0.623 30 20 GBED N#C[C@H]1CN(S(=O)(=O)NCCCN2CCN(c3ncccn3)CC2)CCO1 409550173 DHHRFTIOEISDNP-HNNXBMFYSA-N 395.489 -0.953 30 20 GBED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)N2CCNCC2)CC1 423130340 RWGHTFJXBAYOAM-UHFFFAOYSA-N 384.396 -0.113 30 20 GBED COc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(N)=O)c1=O 555735342 JAIIWJIGBOESFL-UHFFFAOYSA-N 398.444 -0.815 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](O)[C@H](N(C)CC(=O)OC(C)(C)C)C1 558107575 YNEJQIVLPGTVNW-BFHYXJOUSA-N 384.477 -0.295 30 20 GBED CN(CC(=O)N1CCN(c2cnccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 561432873 NRELDHQSHRQKDV-HNNXBMFYSA-N 377.470 -0.279 30 20 GBED CN(C)S(=O)(=O)c1ccc(=O)n(CCS(=O)(=O)c2ccc(C#N)cn2)c1 570846352 SVTYBMWMHXOMCJ-UHFFFAOYSA-N 396.450 -0.161 30 20 GBED CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCCO[C@H](CF)C1 571701854 XYVQGTFBMPZNLM-GFCCVEGCSA-N 385.483 -0.012 30 20 GBED C[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 727007977 JGUZEMYGSHOEHB-SWLSCSKDSA-N 386.408 -0.056 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)c2nn(C)c(=O)c3ccccc23)CC1 729281710 MXRNEFHAASVLTB-UHFFFAOYSA-N 381.436 -0.169 30 20 GBED C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2cc(N)ccc2F)CC1 761026395 ZDWBOBPCSRIWBN-UHFFFAOYSA-N 383.449 -0.178 30 20 GBED C[C@H](OC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)N(C)CCC#N 786369353 XMZDLNRJXRUZJZ-HPYVJYLESA-N 377.397 -0.157 30 20 GBED O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCCN(O)C1=O 848137640 DQDDMPSHIAQRDN-LBPRGKRZSA-N 386.386 -0.240 30 20 GBED C#CC[C@H](CCOC)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 863786229 VNTHPZUDNVIKSG-TZMCWYRMSA-N 381.454 -0.003 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](OC)C1 944640626 DHSLLWZVPXTEBP-LUYZLQTOSA-N 390.440 -0.283 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1OC 946822225 LCTFCFKRYHOLIR-REBRKWNGSA-N 376.413 -0.673 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)C[C@@H]2O)nn1 963309419 FAOGLDXNCWOIEY-HWMZRRJGSA-N 389.456 -0.172 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cn(CC3CC3)nn2)C1 970233028 WKWLLDSMDUHOQN-VDERGJSUSA-N 375.429 -0.419 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)c3cn(C)c(=O)nc3O)C[C@H]21 1022750941 XACXZKDXFJMPAU-MXYBEHONSA-N 388.424 -0.250 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)ccc2=O)C1 1024945784 OQRCHARLXCPISO-BORJPKMPSA-N 390.440 -0.779 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC[C@@H]3CC(N)=O)CC2)o1 1171250470 YVVGBQRSTZVIHL-ZDUSSCGKSA-N 376.417 -0.921 30 20 GBED CS(=O)(=O)NC(=O)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1322652446 MGGAYVSNNZMJAV-GFCCVEGCSA-N 378.410 -0.507 30 20 GBED N#Cc1ccc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)[nH]1 1324808412 WZZMNSIJCMQLAS-CYBMUJFWSA-N 380.426 -0.626 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC3(CC2)C[C@@H](O)CCO3)C1=O 1335544367 RRVMKEHLDQTLNP-GJZGRUSLSA-N 379.457 -0.236 30 20 GBED CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)CCn1cc(C#N)c(O)nc1=O 1466220243 RLZVFEQAJQFECY-RBSFLKMASA-N 375.429 -0.079 30 20 GBED N#C[C@H](C(=O)NC1CC1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 1524677263 BRDOLGYGCJRVPP-AWEZNQCLSA-N 390.421 -0.592 30 20 GBED C=CCNC(=O)Cn1c(N2C[C@@H]3CNC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1574935974 FDQSUHCZDUXELW-KHYOSLBOSA-N 390.488 -0.112 30 20 GBED C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1C 1588351301 NRAYTEYLZGDXDY-WQVCFCJDSA-N 396.455 -0.131 30 20 GBED C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CNc1cc(-c2nn[nH]n2)nc(CC)n1 1588500402 WVNACIWDTLWSTE-PIGZYNQJSA-N 390.448 -0.223 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(c2nccnc2-c2nn[nH]n2)C3)nn1 1588713899 YIZFDJVJAARQBY-MVWJERBFSA-N 379.388 -0.559 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CCN(CC(=O)O)C3=O)CC2)cc1 1594625327 MHIRYAUCWNZJPT-OAHLLOKOSA-N 392.437 -0.450 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4ccccn34)C2)C1 1777827932 ZZIHWCWEGPQPOA-IBGZPJMESA-N 382.376 -0.134 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1778969120 CKXITAXUXAJTSE-CXAGYDPISA-N 378.433 -0.924 30 20 GBED CN(C)C(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779105289 TWWFUPMSOCKLNL-BQUHMRARSA-N 396.444 -0.567 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnc(O)nc2O)CCO3)c1 1780334608 LZRSMTQIUOPMOY-SFHVURJKSA-N 398.379 -0.155 30 20 GBED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)CCO2 1783048719 HCPCRHKMYCSKPL-LIRRHRJNSA-N 395.456 -0.011 30 20 GBED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2 1785423749 AQJFDVYVHYDUCG-QFBILLFUSA-N 394.424 -0.276 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cccnc3)C[C@@H]21 1791072607 LHRUWUPJYYTFNJ-BPUTZDHNSA-N 387.392 -0.472 30 20 GBED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1800987561 UEISCEPTAFPUQP-YYHQMBLXSA-N 376.500 -0.529 30 20 GBED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCOC1 1801510839 VSOXWKSMZQRXBW-LVQVYYBASA-N 378.473 -0.106 30 20 GBED N=C(N)SCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1814731027 ZROAPLTXKPNXSP-ZETCQYMHSA-N 381.439 -0.230 30 20 GBED COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CC1 1831221694 YVCGHXPMISBXOZ-LJQANCHMSA-N 390.436 -0.191 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1831391176 JJVAFUBIRKKINU-KXBFYZLASA-N 390.440 -0.472 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1831421566 KWSDSRJNRQAYPR-KBXCAEBGSA-N 393.444 -0.524 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1831421967 XLRUDRKPDYHRCG-BEFAXECRSA-N 398.456 -0.013 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CN)CC2)CC1 1835066029 GTIZZTRZFCFWKN-DLBZAZTESA-N 395.548 -0.583 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)c1 1838736217 RDBGZODTZCECDH-QGZVFWFLSA-N 385.384 -0.612 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CSCC(=O)OC)C2 1841053213 YTTKLWGGMSUNDM-WAYWQWQTSA-N 395.481 -0.046 30 20 GBED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2 1842919261 LTIFXLWRTXARGA-UHFFFAOYSA-N 390.444 -0.977 30 20 GBED C=CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 266017738 NXVMLXTUCPDHGD-LBPRGKRZSA-N 393.469 -0.147 30 20 GBED CNS(=O)(=O)CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 277220910 NGSULQJMXWZIDX-CQSZACIVSA-N 379.442 -0.492 30 20 GBED C=Cn1cc(/C=c2/s/c(=C(\C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)cn1 278052384 TWJRGYYOEFZVGK-FLRNMSLCSA-N 385.449 -0.458 30 20 GBED C=C[C@H](CO)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 290303670 XOGJJXYBHDKONO-CYBMUJFWSA-N 390.483 -0.159 30 20 GBED Cn1nccc1/C=c1\s/c(=C(\C#N)C(=O)NC[C@H]2CCCO2)n(C2CC2)c1=O 298285032 FNXVYMYKXWNSIZ-YNKMCXICSA-N 399.476 -0.224 30 20 GBED CS(=O)(=O)N1CCC[C@H](N/C(O)=N/CC2(OCCO)CCOCC2)C1 328735677 ZDLUMNUWBCLWGH-ZDUSSCGKSA-N 379.479 -0.528 30 20 GBED O=C(CN1CCN(/C(O)=N/CCN2C(=O)CCC2=O)CC1)N1CCCCC1 329498210 JPRRFABEYKAOIM-UHFFFAOYSA-N 379.461 -0.321 30 20 GBED CNC(=O)CN1CCC(NC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 332536823 JHHBNTHFFKNCPM-UHFFFAOYSA-N 385.472 -0.005 30 20 GBED N#CC1CN(S(=O)(=O)CCCS(=O)(=O)Nc2ncc(C(N)=O)s2)C1 349506834 UIDOFWILMFMMDR-UHFFFAOYSA-N 393.472 -0.841 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)N(C)C[C@@H](C)C#N)nn1C 349515286 GUVLWSIZLCSLQH-JTQLQIEISA-N 378.480 -0.323 30 20 GBED C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1ccnnc1 349534687 INZALQIXOHARPV-OLZOCXBDSA-N 376.460 -0.129 30 20 GBED C=CCN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 369020924 FCWQHEADUSJVBX-JKSUJKDBSA-N 399.513 -0.631 30 20 GBED C#CCOCCC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 371512929 ADMSKRIEGWHMFB-UHFFFAOYSA-N 380.422 -0.013 30 20 GBED COC(=O)[C@@H]1CN(C)CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 411919157 PMURXKJYPTULBO-IAGOWNOFSA-N 379.505 -0.285 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 437020439 KOSLLHGTBKWEEG-WBVHZDCISA-N 391.472 0.251 30 20 GBED C=CCC[C@H](CO)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 456751953 ALKXZUMOBRIREN-CQSZACIVSA-N 381.454 -0.136 30 20 GBED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCC(=O)N=c2cc[nH]cc2)c1 515097072 DKIBZRDHSQPKBW-UHFFFAOYSA-N 387.421 -0.202 30 20 GBED C[C@H](C#N)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 540312605 BLYUBCOJEQQOTE-GFCCVEGCSA-N 380.426 -0.078 30 20 GBED C=CCNS(=O)(=O)c1ccc(-c2nc(-c3ncn(CC(N)=O)n3)no2)cc1 546502973 AMHNDDIMUXIYGK-UHFFFAOYSA-N 389.397 -0.055 30 20 GBED CCC[C@H](O)[C@@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 581374545 QKDIMOMGJWYBKQ-GLQYFDAESA-N 397.453 -0.051 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ncc(C#N)s1 594637926 XMDJPHFBUNMOPI-SNVBAGLBSA-N 391.500 0.568 30 20 GBED CS(=O)(=O)NC1(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CCCCC1 619707365 XTRZJDVDQBGECD-LBPRGKRZSA-N 380.492 -0.703 30 20 GBED C#CCNC(=O)COC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 741008369 WCHPTASLFITOHY-UHFFFAOYSA-N 393.465 -0.406 30 20 GBED COC[C@H](NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C(N)=O 760086123 ZGYVUURFELNILF-OLZOCXBDSA-N 396.469 -0.244 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(O)(C(F)(F)F)CC2)c1=O 760285986 CPKLRWSZYBUTDF-UHFFFAOYSA-N 390.362 -0.110 30 20 GBED Cn1cc(/C=C/C(=O)OCc2cc(O)n3ncc(C#N)c3n2)c(=O)n(C)c1=O 782617469 CZZXMBTZUJPLBA-ONEGZZNKSA-N 382.336 -0.539 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1nnn(Cc2noc(C)n2)c1C 787146697 BBXXTZVLTGINOH-SECBINFHSA-N 377.361 -0.117 30 20 GBED CS(=O)(=O)NCCNC(=S)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 792689291 VNDJJWYAIFIKHS-CQSZACIVSA-N 395.510 -0.328 30 20 GBED C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCO2)CC1 802689413 OFOAXXJPCSPMCA-HUUCEWRRSA-N 396.517 -0.178 30 20 GBED COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C2 820058292 FTLRRELCONVLEA-CRWXNKLISA-N 395.437 -0.405 30 20 GBED N#Cc1ccc(N2CCC[C@@H](NC(=O)Cn3cnc(-c4nn[nH]n4)n3)C2=O)cc1 826385690 XCIBAXHEXOBKAY-CYBMUJFWSA-N 392.383 -0.358 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H]2CNC[C@@H]2C#N)c1 834504379 APOYWMKTYQVIMV-GXTWGEPZSA-N 381.458 -0.893 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)cc1 846524766 CRMJUOUEAHYPBY-UHFFFAOYSA-N 388.453 -0.326 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH]nc1C)[C@@H]1CCCO1 848962974 FKAJOHVKSLBKTR-JSGCOSHPSA-N 390.487 -0.050 30 20 GBED CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 854834087 YXSIYJDMOWXDQY-UHFFFAOYSA-N 386.455 -0.006 30 20 GBED C#CC1(O)CN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 890519408 JDHYNNDUJDEQJR-UHFFFAOYSA-N 378.450 -0.153 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2nc(C)n(C)c2=O)C[C@H]1C 957748443 OYEORCFAMQBPSW-JWDQPFGJSA-N 391.472 -0.165 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@@H]1O 964194247 WTIRBMBXDWVTOK-LOUJCGABSA-N 393.440 -0.902 30 20 GBED N#Cc1c[nH]c(C(=O)N2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)c1 986677342 ZGWWMJGAYLMXTF-BFJAYTPKSA-N 385.424 -0.160 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)C1CCOCC1 1109860064 JMOPTVXRFYOZKB-PMPSAXMXSA-N 378.473 -0.447 30 20 GBED C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCN(C(C)=O)CC1 1110384851 AKCJRNZHSQVAGT-ZACQAIPSSA-N 378.473 -0.399 30 20 GBED C=CCSCCNC(=O)C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1117146323 DHHGQRTYZNJMCL-IUODEOHRSA-N 376.500 -0.126 30 20 GBED C#CCN1CCC(c2nnc(N3CCO[C@@H](C(N)=O)C3)n2CCOC)CC1 1122341560 PNNJFBYSMBVPCM-OAHLLOKOSA-N 376.461 -0.572 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)cc1 1255287831 DBUYLHZEPOBWJM-UHFFFAOYSA-N 394.453 -0.452 30 20 GBED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)N(C)CCC#N)CC1 1322441150 VAPAWGPPCDMTBZ-UHFFFAOYSA-N 381.476 -0.481 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 1323191501 BJERHHNEHWMFFX-GOEBONIOSA-N 397.483 -0.014 30 20 GBED C#CCOCCNC(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 1325777459 YMHHNPAGPLAMCB-INIZCTEOSA-N 386.452 -0.230 30 20 GBED COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C1 1326547603 PLPSWCZSVFZJIZ-KBPBESRZSA-N 377.319 -0.183 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](n3cncn3)C2)CC1 1326933363 JHZPNHLHYMYVTK-GFCCVEGCSA-N 388.475 -0.780 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3C[C@H]4[C@H](C3)C4(F)F)CC2)c1C#N 1328760730 IKSSSWRWTIVCPA-STQMWFEESA-N 378.383 -0.028 30 20 GBED C=CCN(C)C(=O)C(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 1335473210 GURJJLUJIAXTGI-UHFFFAOYSA-N 380.470 -0.112 30 20 GBED C#CC1CCN(C(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 1345972408 NOMPZGQBNOEFSE-MRXNPFEDSA-N 397.497 -0.489 30 20 GBED COCCOC[C@@H](C)NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1346718273 ZDXLOXACNNDFRG-ZIAGYGMSSA-N 390.444 -0.447 30 20 GBED C#C[C@H](NC(=O)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)[C@@H]1CCCO1 1346939976 UNSLQODATQTFSC-GJZGRUSLSA-N 383.470 -0.644 30 20 GBED Cc1nsc(N2CCCN(C(=O)C(=O)N3CC[C@](O)(CC#N)C3)CC2)n1 1349344969 VLQPDRSVDOIAPB-MRXNPFEDSA-N 378.458 -0.238 30 20 GBED CO[C@@H](C)CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1350172393 RCHOCRKXZWEFPR-ZDUSSCGKSA-N 394.453 -0.458 30 20 GBED C=C[C@@](C)(O)CC(=O)N1CCCO[C@@H](CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1573309967 QIWJVIHXZIWZMM-YVEFUNNKSA-N 388.432 -0.565 30 20 GBED C[C@@H](C#N)C(=O)N(CCO)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 1573562165 RNOCDBQTNSBJNP-AAEUAGOBSA-N 386.416 -0.220 30 20 GBED C[C@H](C#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 1573571152 ZSTTVUBGDPNHNT-DIFFPNOSSA-N 384.400 -0.202 30 20 GBED C=CCCn1cc(C(=O)N(C)[C@@H]2CCN(CC(=O)NCc3cnn[nH]3)C2)nn1 1575099712 BWYULOBWLLQEDB-CQSZACIVSA-N 387.448 -0.565 30 20 GBED C=CCn1cc(C(=O)N2C[C@H]3CCN([C@@H](C)C(=O)NCc4cnn[nH]4)C[C@H]32)nn1 1575111526 GBLIQURTVJTSCB-WOSRLPQWSA-N 399.459 -0.567 30 20 GBED CC#CCN1CCC(N(Cc2cnn[nH]2)C(=O)CC[C@H]2NC(=O)NC2=O)CC1 1575122330 FSTLBBLZFFOOIU-OAHLLOKOSA-N 387.444 -0.391 30 20 GBED C=CCOCC(=O)NC[C@H]1CN(c2cc(-c3nn[nH]n3)nc(CC)n2)CCO1 1588676662 ZWYYQVJRVAGCSV-LBPRGKRZSA-N 388.432 -0.257 30 20 GBED N#CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1ccc(-c3nn[nH]n3)[nH]1)C2 1592678499 YXYIQQHLCLHNMW-DDTOSNHZSA-N 383.416 -0.583 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@]1(C)CN(c2cnc(-c3nn[nH]n3)cn2)CCO1 1602794549 UZIGQEBRSCDTKD-DLBZAZTESA-N 388.432 -0.305 30 20 GBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1OC 1602840912 IMXRCHFKIBOCCH-MRVWCRGKSA-N 388.432 -0.042 30 20 GBED C[C@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104736 GHSXTLMXBAQILC-YZMFZURSSA-N 396.444 -0.520 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)CCC1 1779881212 VFKGCKLRXCVDPL-IBGZPJMESA-N 398.423 -0.287 30 20 GBED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN(CCO)CCO)C[C@@H]32)C1 1783466419 PESNHPPGLOITRQ-SZMVWBNQSA-N 395.500 -0.781 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)c3ccco3)[C@H]2C1 1783563921 AYRXSYIKOFMDCC-GWIFVGGISA-N 376.365 -0.619 30 20 GBED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC)NC(C)=O)C[C@@H]21 1784475193 XAGWDVGPVUENPA-FUJDEKNSSA-N 393.484 -0.081 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn(C)n1)C2 1792485944 XXSITFCRKRTCTG-OLDVJPBNSA-N 387.440 -0.518 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)NC1 1792579350 YOUQAUSLVVUTDU-LBKYZSNHSA-N 377.441 -0.860 30 20 GBED NC(=O)[C@@H](N)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1795634323 RVZGNQKRFUITKY-CLWJZODNSA-N 398.463 -0.780 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796570540 CWPYWRJRVKEGRE-RVMXOQNASA-N 399.411 -0.897 30 20 GBED NC(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797783815 NJAPHFFTKIPFQE-CCWDJLKJSA-N 391.468 -0.460 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(F)cncc1F 1798241331 MHORUCUDPMLCAJ-WRBXQSRGSA-N 379.319 -0.349 30 20 GBED O=C(COc1ccc(O)nn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1800203945 JHDZJUJIAGQYOJ-HBCWATKFSA-N 386.408 -0.436 30 20 GBED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1802022731 KCQTTYCYAMFNNK-XOIINTDNSA-N 388.424 -0.740 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1830056354 VCLNVZBCPBGKMB-LJQANCHMSA-N 394.472 -0.675 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832498278 DWRDRPIKWJAKLW-XLIONFOSSA-N 386.404 -0.084 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835313676 URSUJONYVMFNBG-KHYOSLBOSA-N 395.456 -0.688 30 20 GBED C[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)CCCN1 1835345888 IQTDWFJMJKVWBJ-MJGOQNOKSA-N 376.457 -0.111 30 20 GBED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835359326 DBUINJLIYVVNDH-QAPCUYQASA-N 390.444 -0.326 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1839710721 HOQCHAFQNZVKML-HEHGZKQESA-N 383.474 -0.386 30 20 GBED Cc1onc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1C 1840040427 ZVPAAIUPBQOZMK-SFHVURJKSA-N 391.380 -0.551 30 20 GBED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCC(N)=O)cc1 42043701 LFVHYYIJXYSCNB-UHFFFAOYSA-N 382.442 -0.187 30 20 GBED C/N=C(/NCC(=O)NCC(F)(F)F)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 261718188 ICGRZOYBROAMRJ-CQSZACIVSA-N 392.382 -0.450 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N(CC)[C@H](C)CS(C)(=O)=O)c1cc[nH]n1 276584628 LZZLHBZXPOGYEK-VVLNONDKSA-N 388.446 -0.025 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCN(CCOC)C(=O)C1)c1cc[nH]n1 278817984 UICGUNBHCUJYEO-XDJHFCHBSA-N 381.389 -0.989 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N[C@H](CO)Cc1ccncc1)c1cc[nH]n1 281942001 SDVBQURNDGGKNK-UAHGDZPKSA-N 375.385 -0.192 30 20 GBED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 283428829 YEKZSWPPOAQBNK-GFCCVEGCSA-N 375.433 -0.861 30 20 GBED COCCN(CCC#N)S(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 283572607 QNWPONRSARRCCX-UHFFFAOYSA-N 376.460 -0.470 30 20 GBED N#Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1Br 287892065 HDAKSVWKMCIHAQ-LLVKDONJSA-N 381.186 -0.028 30 20 GBED COCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC 291587018 QOODSJFGPRJHIP-BXUZGUMPSA-N 383.426 -0.081 30 20 GBED CCS(=O)(=O)N1CCC(/N=C(/O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 328795869 CTEBPNBOAGLMAB-CQSZACIVSA-N 398.489 -0.157 30 20 GBED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N1CCC(C(=O)OC)CC1 330865726 XKLVXYRNXRYJGZ-CYBMUJFWSA-N 380.488 -0.209 30 20 GBED CC1(C)C[C@]1(C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CC[C@H](O)C1 349587546 HBJRBAARMHUIBF-GXTWGEPZSA-N 379.504 -0.225 30 20 GBED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@@H](C(N)=O)C2)CC1 367647714 ZDJGQHCJBWDTDJ-UONOGXRCSA-N 377.470 -0.357 30 20 GBED N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 473739375 FQCFOKOBKWWGRI-ZDUSSCGKSA-N 379.442 -0.680 30 20 GBED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)C2=O)cc1 488265740 NNGUITGZILTZIC-LSDHHAIUSA-N 396.407 -0.395 30 20 GBED COc1ccc(S(=O)(=O)N(CC#N)CC#N)cc1[C@@]1(C)NC(=O)NC1=O 508147979 GGOJYDHDNRLCAN-OAHLLOKOSA-N 377.382 -0.212 30 20 GBED N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NCc2nc(C3CC3)n[nH]2)cc1 516937760 DBRBPILHTZWYIB-UHFFFAOYSA-N 396.454 -0.038 30 20 GBED N#CC1(CS(=O)(=O)NCCN(CCO)S(=O)(=O)CC2(C#N)CC2)CC1 517041617 WEHSCFWNZAGOGN-UHFFFAOYSA-N 390.487 -0.863 30 20 GBED Cn1c(NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)c(C#N)c(=O)n(C)c1=O 523181579 TYAPIHJBKDUBLD-GOSISDBHSA-N 382.380 -0.378 30 20 GBED CC(C)(C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1COC[C@H]1O 577887583 WQVNCEYCPAGWMO-GHMZBOCLSA-N 389.455 -0.695 30 20 GBED CNC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@H](C)C#N 581321732 XERNTYMXWRZLHY-GHMZBOCLSA-N 388.471 -0.368 30 20 GBED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C 595128952 KLAVONBQYGQLLJ-NEPJUHHUSA-N 382.442 -0.019 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](Cc2ccncc2)C(=O)OCC)C1=O 616132170 ZTUOAWGCJBYWES-ZDUSSCGKSA-N 388.380 -0.351 30 20 GBED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)N(C)C)CC1 669803904 MIYZNPKCHKFMIS-ZDUSSCGKSA-N 399.521 -0.716 30 20 GBED C#C[C@H](NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)[C@H]1CCCO1 776234328 LAPRCGLLFFUKPA-UONOGXRCSA-N 376.413 -0.830 30 20 GBED N#CCN1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1 791365564 CMBCKOJARGRGDU-CQSZACIVSA-N 377.832 -0.018 30 20 GBED COC(=O)c1cn(CCNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)nn1 793106878 VKRBVVWKYKHMMA-UHFFFAOYSA-N 390.331 -0.139 30 20 GBED C=CCS(=O)(=O)CCNC(=O)NCc1cccc(CS(N)(=O)=O)c1 799971273 ZKRPOONUDHGRIG-UHFFFAOYSA-N 375.472 -0.125 30 20 GBED C#CCCCS(=O)(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 804941091 MAACSNWDQMPEFU-MRXNPFEDSA-N 392.543 -0.059 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1 808159849 KWWYPVLJACIUTA-JKSUJKDBSA-N 377.466 -0.121 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCN(C)C)CC(=O)O 818053527 QFPSEPVFJKLPAV-GFCCVEGCSA-N 382.442 -0.300 30 20 GBED C#CCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccccc2N)CC1 824788328 CMDSWYQBFKZIDU-UHFFFAOYSA-N 378.454 -0.465 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1CCC2(C1)OCCO2 848969751 YYUBTQITCQEFLB-ZDUSSCGKSA-N 395.503 -0.281 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1nc[nH]n1 961000975 YIHCUJXDAOQJLN-ZJOBFFGXSA-N 375.429 -0.233 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2c(C)nc(O)nc2O)C1 970066410 GCCNMYIARQZRPX-ZZVYKPCYSA-N 392.412 -0.982 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCC(=O)NC1=O 1000566565 IFIVCUXAYYNMST-MRLBHPIUSA-N 390.440 -0.233 30 20 GBED C=CCN1CC[C@H](N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CN2C(=O)CNC2=O)C1=O 1096501548 HRXYKDPAEQZYLP-RFGFWPKPSA-N 375.429 -0.953 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(C)(C)C(N)=O 1110691914 BYFHTFDSILGRLD-LPWJVIDDSA-N 379.461 -0.380 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCc1cnn[nH]1 1111041139 AGCITTDFQMSFJM-MCIONIFRSA-N 375.433 -0.529 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1ccnc(-n2cncn2)c1 1111502801 VTDULZYDVZYRER-KFWWJZLASA-N 380.412 -0.363 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)nn1 1118175780 HZLARPGKCBEVLF-INIZCTEOSA-N 397.439 -0.217 30 20 GBED N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CCC[C@H]3C3OCCO3)CC2)c1 1120405213 VERXDRCIIGKQOI-HNNXBMFYSA-N 385.424 -0.034 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 1158084863 QAOVLHDYKIFRDM-GXTWGEPZSA-N 397.478 -0.097 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1CCN(C)[C@@H]1C 1217932347 CHZCWKFHRGMDFT-LVQVYYBASA-N 393.488 -0.750 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)CN1CCCC1=O 1319299274 MNLFIIQXXMQDRG-TZMCWYRMSA-N 394.453 -0.675 30 20 GBED CC(=O)N[C@](C)(C(=O)N[C@@H]1CNC[C@H]1C#N)c1ccc(S(C)(=O)=O)cc1 1326611151 CIOXPWGWOOLBFZ-VMGRFDJRSA-N 378.454 -0.331 30 20 GBED CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)C1 1328969207 LYVOKBXOPLGBEA-QWHCGFSZSA-N 382.417 -0.511 30 20 GBED C=CC1CCN(C(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 1330935194 PKRPLLRQECJVTN-UHFFFAOYSA-N 378.473 -0.586 30 20 GBED N#Cc1ccccc1N1CCCN(C(=O)C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)CC1 1330994109 OEBIBGDROWQJDK-GASCZTMLSA-N 395.419 -0.672 30 20 GBED C=CCn1c(Cc2ncccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1338885662 SPNXFEOZTVVDHZ-CQSZACIVSA-N 381.440 -0.095 30 20 GBED COC(=O)[C@H](O)C1CCN(C(=O)C(=O)NCc2cccc(OCC#N)c2)CC1 1342192289 NFLKQAWGEZVQDJ-MRXNPFEDSA-N 389.408 -0.022 30 20 GBED C#CC[C@@H](CCOC)NC(=O)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 1352716873 GOXOJKLBBSNBLD-INIZCTEOSA-N 379.457 -0.372 30 20 GBED N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCOC2=O)CCO1 1505322389 MXZCLRUMBTTZPV-CHWSQXEVSA-N 389.416 -0.200 30 20 GBED C#CCN1CCC(C(=O)N[C@H]2C[C@H](N[C@H](C)C(=O)NCc3cnn[nH]3)C2)CC1 1574985586 HFYXBWSQWIRCIG-FVQBIDKESA-N 387.488 -0.609 30 20 GBED C#Cc1ccc(C(=O)N(C)C[C@H](O)CNC(=O)CCOCc2cnn[nH]2)cn1 1575021989 KVQKYHXVJLXDKD-MRXNPFEDSA-N 386.412 -0.663 30 20 GBED COCC#CCN(CCO)C1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1579618485 LCCXMOSLAWKXPA-UHFFFAOYSA-N 387.444 -0.257 30 20 GBED N#Cc1cc(C(=O)NC[C@H]2[C@@H]3CN(c4ccc(-c5nn[nH]n5)nn4)C[C@H]23)c[nH]1 1581866164 USQRUGVAIUVZGU-XYYAHUGASA-N 376.384 -0.031 30 20 GBED N#Cc1ccc(C(=O)NCC2[C@@H]3CN(c4ccc(-c5nn[nH]n5)nn4)C[C@@H]23)[nH]1 1581867869 ZPHDXQSEUKPLBL-RYUDHWBXSA-N 376.384 -0.031 30 20 GBED C#CC[C@H](COC)NC(=O)C(=O)N1CC(Oc2ccc(-c3nn[nH]n3)cc2)C1 1588331129 KQYZALYVJYEMKQ-CYBMUJFWSA-N 384.396 -0.389 30 20 GBED C#CCNC(=O)CN(C)C[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588353955 BYGSIWIWJMCCDK-CQSZACIVSA-N 384.444 -0.129 30 20 GBED C#CCOCCC(=O)NC[C@]1(O)CCN(c2ncc(-c3nn[nH]n3)cc2F)C1 1588361256 INVNQYJPGYPKFF-QGZVFWFLSA-N 389.391 -0.502 30 20 GBED C#Cc1ccc(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[nH]n4)nn3)C2)nc1 1588364419 FACGUTTUYVRAQU-ZDUSSCGKSA-N 391.395 -0.014 30 20 GBED CO[C@@]1(C(=O)O)CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 1606696899 PBZKTEGBPZVMDI-ZBEGNZNMSA-N 381.410 -0.073 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H]3C[C@H](C(=O)O)O[C@H]3CC[C@H]2C)C1=O 1609373492 COBKQBJYGKGDEQ-NOOOWODRSA-N 379.369 -0.415 30 20 GBED CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC[C@@](F)(C#N)C2)c1 1638650272 NXWZIUMKWVDWOG-CQSZACIVSA-N 389.430 -0.167 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778743593 URAXLQFIQQQZFN-GOSISDBHSA-N 383.364 -0.739 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1778968264 QONYJCZECVPRKQ-UGSOOPFHSA-N 377.445 -0.168 30 20 GBED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CS(C)(=O)=O)C[C@@H]21 1784533765 MRQXNEPCLHYAPP-ABHRYQDASA-N 392.543 -0.035 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cncn3)[C@H]2C1 1787084796 GZNXIUZMHXKGDE-VGWMRTNUSA-N 377.445 -0.151 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)nn1)C2 1793344244 FYGLSNFEONVBLN-ZJOBFFGXSA-N 388.424 -0.273 30 20 GBED C#CC(=O)NC[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1812529022 IKXISVPPDOMFMN-GUYCJALGSA-N 378.392 -0.077 30 20 GBED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1831182535 KLIDBWIWVNGWBM-KUHUBIRLSA-N 392.456 -0.339 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C)C3)C2)C1 1831401501 AXPCNZQERNFJFU-DNVCBOLYSA-N 379.457 -0.957 30 20 GBED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1835749964 RJNFKFDOCUGZAX-DOXZYTNZSA-N 396.488 -0.752 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1839807885 GIJQDZKKPQQXFH-IBGZPJMESA-N 398.423 -0.556 30 20 GBED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(N)=O)CCO2 1839861900 MXISTAJTGRLULK-IBGZPJMESA-N 397.472 -0.309 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039845 IQYPWMXNRPSXGA-DOTOQJQBSA-N 384.454 -0.515 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)n2cnnn2)CCO3)C1 1840472945 GJTMAQZQLFKTGY-KDOFPFPSSA-N 390.444 -0.343 30 20 GBED C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 24149646 IAINRNNJQLNKPR-GFCCVEGCSA-N 391.428 -0.210 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)NC(C(=O)OCC)C(=O)OCC)cc1 25990152 NZBVKIZQDDFFSD-UHFFFAOYSA-N 396.421 -0.177 30 20 GBED N#C[C@@H]1COCCN1C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 267205559 RHHSZGLCLLRCCE-GFCCVEGCSA-N 381.410 -0.123 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1=O 281298022 IUADLZCDOANBQJ-HJORKGSMSA-N 375.425 -0.216 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(NS(C)(=O)=O)cc2)C1=O 299535773 OCZVQNWYSOYMLD-UHFFFAOYSA-N 394.409 -0.349 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 349458509 FEIVKDMFXICASE-VQJWOFKYSA-N 389.499 -0.187 30 20 GBED C[C@@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc(C#N)ccn1 349473437 HYRDTYMKDUPYKY-NSHDSACASA-N 376.460 -0.273 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@H](N3CC=CC3)C2)CC1 349477815 RFVXXJUELCWHKG-AWEZNQCLSA-N 388.515 -0.372 30 20 GBED CNC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 418967113 RQSCAZJEZVVGLS-DLBZAZTESA-N 383.452 -0.014 30 20 GBED COCCN(CCOC)C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 445563062 AQOSWDUCEFEWOV-UHFFFAOYSA-N 386.412 0.507 30 20 GBED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 473373136 LGUZSQZXGKFECI-UHFFFAOYSA-N 397.391 -0.683 30 20 GBED COc1ccc(S(=O)(=O)N2CCN(C(=O)NCC(=O)NCC#N)CC2)cc1 511906701 QSYATSNYRSAJQC-UHFFFAOYSA-N 395.441 -0.649 30 20 GBED C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 556329773 IABCRAPBEIIDHD-SJORKVTESA-N 380.489 -0.687 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ncn(CC(=O)N(C)C)n1 610698940 TZNYIUBAFUHKQI-GFCCVEGCSA-N 398.431 -0.229 30 20 GBED CN(C)CCN(CCN(C)C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 729436084 MVSLHSYNMKRFPM-UHFFFAOYSA-N 381.502 -0.323 30 20 GBED O=C(NCc1ccc(C(=O)NO)cc1)C1=CC=CN2CCS(=O)(=O)N=C12 746268704 NXMDCGPNWRJBPA-UHFFFAOYSA-N 376.394 -0.081 30 20 GBED C#C[C@@H](CC)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 753886372 BULISFGNZFAUHT-MJBXVCDLSA-N 375.429 -0.015 30 20 GBED Cc1cc(C(=O)[C@H](C#N)C(=O)c2nccn2C)nc2c1c(=O)n(C)c(=O)n2C 770865767 GXHIEXKUXTZIIA-JTQLQIEISA-N 380.364 -0.121 30 20 GBED C#C[C@@H](NC(=O)C(=O)Nc1cccn(CC(=O)OCC)c1=O)[C@H]1CCCO1 773796178 XUXBBDGQMJMONC-TZMCWYRMSA-N 375.381 -0.353 30 20 GBED N#CC1(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCC1 786360910 OICWHOSYAHNWOZ-FKGLVLAHSA-N 375.381 -0.355 30 20 GBED C=C[C@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 814541070 KRKXRTWELAEHLO-HNNXBMFYSA-N 398.437 -0.382 30 20 GBED O=C(O)Cc1cccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 819547974 QZTXAQSLWRGAAR-FOCLMDBBSA-N 386.364 -0.105 30 20 GBED C#CCNC(=O)CN1CCN([C@H](C(=O)OC)c2cccc(-c3nn[nH]n3)c2)CC1 819701234 AEPYGVPXHYWPES-KRWDZBQOSA-N 397.439 -0.552 30 20 GBED O=C(O)C[C@]1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCCOC1 823343126 PPNXGUXGHGCABW-MRXNPFEDSA-N 381.410 -0.135 30 20 GBED COC(=O)C[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O 831128990 PKCYOALMQJNPJM-ONGXEEELSA-N 397.409 -0.364 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)NC1COC(C)(C)OC1 848964767 DISLUAOJEYPPKS-NSHDSACASA-N 383.492 -0.379 30 20 GBED CCN1CCN(CC(=O)NS(=O)(=O)Cc2cc(C#N)ccc2F)C(=O)C1=O 851192611 OJBDPPADNMTTNT-UHFFFAOYSA-N 396.400 -0.666 30 20 GBED C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1 872515162 HAEUKEPTBULXRA-UHFFFAOYSA-N 378.863 -0.491 30 20 GBED C#Cc1cncc(C(=O)NC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2OCC)c1 983325053 JTCCPDJEVKPZNV-WCXIOVBPSA-N 384.436 -0.222 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1n1ccnn1 990962229 AEVGWVMKPZUAAA-VDERGJSUSA-N 385.428 -0.215 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1O 1023916229 QJHNXMXGFVAVLV-YJNKXOJESA-N 386.470 -0.910 30 20 GBED CCO[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1CN=c1cc[nH]c(C#N)n1 1047939417 SXNSPNCHRZGKOP-LXTVHRRPSA-N 386.456 -0.053 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CC(=O)N(C)C 1109816015 BBXAOSKLJDSDRW-CRWXNKLISA-N 379.461 -0.414 30 20 GBED Cc1cc(C#N)nc(NCCN(CCO)C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)n1 1111603297 HRXGPRKYULTSIK-CWRNSKLLSA-N 375.429 -0.059 30 20 GBED C#C[C@H](NC(=O)C(=O)NCC1CCN(S(=O)(=O)CC)CC1)[C@H]1CCCO1 1117489413 QGROTNVUWSHAER-LSDHHAIUSA-N 385.486 -0.539 30 20 GBED C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1 1117888375 HQEJPAPPHDCVKL-HNAYVOBHSA-N 393.463 -0.004 30 20 GBED CN1C[C@H](c2ccccc2)[C@@H](C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@@H]2O)C1 1220387304 GXGASFYTQGZKSV-XDNAFOTISA-N 385.468 -0.867 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C1 1256967784 SZJHZFHIUGZYPS-GOSISDBHSA-N 389.435 -0.431 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H]1CCc2n[nH]cc2C1 1257151287 UFELRSBATGJKSY-OCCSQVGLSA-N 394.439 -0.218 30 20 GBED Cc1cc(NC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)nn1CCC#N 1320459555 RXXGZRTXUFCRMR-GFCCVEGCSA-N 382.446 -0.416 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)NC(=O)CS3)CC1 1330914627 FOEQGUIHUDMEDX-UHFFFAOYSA-N 394.478 -0.044 30 20 GBED N#CC[C@H](C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1)c1ccccc1 1457600138 NOUMDHDGTTYXNI-GVDBMIGSSA-N 377.466 -0.014 30 20 GBED C#CCNC(=O)CC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1C 1588354110 FUXHVRPMRRLWEF-PWSUYJOCSA-N 384.400 -0.947 30 20 GBED C#Cc1cncc(C(=O)NC[C@@]2(O)CCN(c3cnc(-c4nn[nH]n4)cn3)C2)c1 1588381210 UXOQAVQQFVPKTJ-SFHVURJKSA-N 391.395 -0.596 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@H](CNc2cncc(-c3nn[nH]n3)n2)C1 1588721481 IWHBJKYJPQXYRG-BZPMIXESSA-N 386.416 -0.113 30 20 GBED Cc1nc(S(=O)(=O)NCCC(=O)N2CCC(C#N)(C(=O)O)CC2)cn1C 1600718281 HZSOACSKYJKCBI-UHFFFAOYSA-N 383.430 -0.386 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)c1-c1nn[nH]n1 1609458945 RYZFOVWJUIVCGZ-LLVKDONJSA-N 396.419 -0.718 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778558870 WCEQRFRIZUBADQ-SFHVURJKSA-N 388.380 -0.803 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)c3ccco3)[C@H]2C1 1783563928 AYRXSYIKOFMDCC-MYLCLEHYSA-N 376.365 -0.619 30 20 GBED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(C)(=O)=O)C2 1793349497 VRYINBIILOIKBK-XOIINTDNSA-N 388.486 -0.397 30 20 GBED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H](N)C(N)=O)C2 1797646203 CYGYUSOWNSRRQC-RIUYPTKQSA-N 392.500 -0.063 30 20 GBED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)N2CCOCC2)C3)c1 1799420217 NRCVKQBAFWICSI-YGTYGHESSA-N 387.440 -0.211 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4CCC(=O)NC4)CCO3)C2)CC1 1829949715 IPQBHDLYQJRUPH-KUHUBIRLSA-N 390.440 -0.727 30 20 GBED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831207642 VJAHHVBTEGMBLS-PXNSSMCTSA-N 391.468 -0.229 30 20 GBED N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)c1ccccn1 1831213696 ZNDWSXIPFPLSKG-FPOVZHCZSA-N 398.463 -0.049 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(COC)CC1)CCO2 1831367444 GUKHFZBGEUMDIN-OXJNMPFZSA-N 394.468 -0.092 30 20 GBED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)nn1C 1838833402 SLCKNPAEGFTBMP-SFHVURJKSA-N 391.428 -0.198 30 20 GBED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842807934 IGMPJAGSLWAPSX-AWEZNQCLSA-N 377.397 -0.012 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)c1 24961033 HQVQENIAVAQEQN-UHFFFAOYSA-N 390.421 -0.588 30 20 GBED C#CCNc1nc(N(C)[C@H]2CCN(C)C2=O)nc(N(C)[C@@H]2CCN(C)C2=O)n1 287489205 YBQHFEWIAORFIT-BETUJISGSA-N 386.460 -0.750 30 20 GBED C[C@]1(C(N)=O)CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 288649108 QTYVJHWRXZPBFJ-YWZLYKJASA-N 397.435 -0.501 30 20 GBED NS(=O)(=O)c1cnn(C/C(O)=N/C[C@]2(N3CCOCC3)CCSC2)c1 328737363 GYMHPXGBHQEQCR-CQSZACIVSA-N 389.503 -0.305 30 20 GBED CC(=O)N1CCN(/C(O)=N/CCS(=O)(=O)N2CCSCC2)[C@@H](C)C1 330079833 IXKRPGBBMAYCJZ-LBPRGKRZSA-N 378.520 -0.168 30 20 GBED O=S1(=O)CCC[C@@H]1CN/C(O)=N/CCS(=O)(=O)N1CCSCC1 330083266 QKAJPEARPOIYFR-LLVKDONJSA-N 385.533 -0.554 30 20 GBED CN1CN(S(=O)(=O)CCCS(=O)(=O)N[C@]2(C#N)CC2(C)C)CC1=O 349458120 LGPOTOMCYZCKLX-ZDUSSCGKSA-N 378.476 -0.951 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[S@@](=O)C[C@H](C)C1 349460453 PTZRSPFOHBUJQS-MCMMXHMISA-N 399.560 -0.418 30 20 GBED N#CC1(NS(=O)(=O)c2ccccc2S(=O)(=O)N2CCC[C@H]2C(N)=O)CC1 349469886 LIHMRWWJKDEPSH-NSHDSACASA-N 398.466 -0.341 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O 349482015 QCEZNLYEGIJWKG-RWNPNPFLSA-N 397.478 -0.122 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3nn[nH]n3)C2)c1 370861530 XRHLFNLQLCCULW-CYBMUJFWSA-N 376.398 -0.675 30 20 GBED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 430403662 UZUOERNGEKALKF-VYDXJSESSA-N 392.500 -0.105 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnc(OC)n2)c(=O)n1CCC 459809863 DVYOXNRPOFRREV-UHFFFAOYSA-N 385.449 -0.076 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C1=O 478407379 PRRIUBGDDQSFNK-UHFFFAOYSA-N 377.378 -0.068 30 20 GBED C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H]1O 509084433 OFOQWSALDFUIBF-GOEBONIOSA-N 392.481 -0.296 30 20 GBED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(C#N)n2)CC1 516767978 FEKSTFNMRCJCCN-UHFFFAOYSA-N 395.441 -0.598 30 20 GBED CC(C)OCCS(=O)(=O)NCC(=O)N(C)CCCc1[nH]nc(N)c1C#N 539356416 CMZADKCDRQNFLZ-UHFFFAOYSA-N 386.478 -0.401 30 20 GBED N#CCN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2CO)c1 568255969 RQNDYOUVZAXJNC-CYBMUJFWSA-N 398.466 -0.130 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CC(O)(CC#N)C2)cc1 578083375 WJEHYEPPOYEWJN-LBPRGKRZSA-N 398.466 -0.084 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](CC(N)=O)C1 600677226 BNCTXFVBWDSBBZ-WCQYABFASA-N 380.426 -0.672 30 20 GBED C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)CC1 609477125 TWBGWQMICFBVGU-LBPRGKRZSA-N 392.437 -0.950 30 20 GBED C#CCN1CCN(CN2CC(=O)N(Cc3ccccc3-c3nn[nH]n3)C2=O)CC1 735381970 UCTXSDMQZOLUHN-UHFFFAOYSA-N 394.439 -0.161 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745480251 DBJXUOJYGZSFGG-NPNZPCOPSA-N 379.369 -0.908 30 20 GBED N#CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)cc1 746206571 JJFFUCWFHUIQBR-UHFFFAOYSA-N 392.393 -0.124 30 20 GBED CN1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H](CNC(=O)OC(C)(C)C)C1 764386966 LUBHUQCECFLRNC-LBPRGKRZSA-N 392.460 -0.399 30 20 GBED CCOC(=O)CON=C(C(=O)N1CCC[C@H](c2nn[nH]n2)C1)c1cc[nH]n1 772431046 NPJDNQWMHIFUCA-JTQLQIEISA-N 376.377 -0.387 30 20 GBED C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1 784974168 YVJWQAPFMVCQSI-HNNXBMFYSA-N 393.415 -0.072 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1=O 794898436 FMUBWWGXYPNNJY-BEFAXECRSA-N 392.456 -0.229 30 20 GBED CC#CCS(=O)(=O)NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 810774353 XURKJJRJULLSIH-QGZVFWFLSA-N 375.406 -0.151 30 20 GBED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(O)C2=O)cc1 820186136 VSLXDFNZPOHSNP-LBPRGKRZSA-N 385.398 -0.752 30 20 GBED C#CC[C@H](NC(=O)c1cccc(C(=O)N[C@@H](CC#C)C(=O)OC)n1)C(=O)OC 839799443 LPZKJQWJTCBSSZ-GJZGRUSLSA-N 385.376 -0.329 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CNC[C@@H]2C#N)cc1 843460109 MGUNDCDCOJNSPT-SWLSCSKDSA-N 379.442 -0.459 30 20 GBED C#CCNS(=O)(=O)N1CCN(Cc2cn(-c3ccc(F)cc3)nn2)CC1 895917741 IKJGRQHJBLORSX-UHFFFAOYSA-N 378.433 -0.008 30 20 GBED CN(C)CC#CCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 913516487 SAABIMBBBLJHOW-UHFFFAOYSA-N 378.454 -0.898 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3nnc(O)n3c2)C[C@@H]1O 970702647 VDBKXPDZIPMZBC-MQYQWHSLSA-N 387.396 -0.673 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@@H]1CCN(C2CC2)C1 1117046244 OECPCOUOKYIIBN-CABCVRRESA-N 397.483 -0.014 30 20 GBED CC(C)N1CCN(C2CCN(C(=O)C(=O)N3CC[C@](O)(CC#N)C3)CC2)CC1 1261486346 WHINRBQVYFKETQ-HXUWFJFHSA-N 391.516 -0.120 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 1321242193 VDPWHDJBHOTKBA-MJBXVCDLSA-N 393.444 -0.225 30 20 GBED CS(=O)(=O)NC1CC(NC(=O)C(=O)NCc2cccc(OCC#N)c2)C1 1322529482 XNQMMJYVLGHHGC-UHFFFAOYSA-N 380.426 -0.598 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCC1(N(C)C)CCC1 1324877925 IJNUMEPJGYHYHK-CQSZACIVSA-N 385.472 -0.014 30 20 GBED C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1326228768 ZXKSFPCRDWCEBL-BEFAXECRSA-N 391.472 -0.981 30 20 GBED C=CCCN(C)C(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 1342138730 MLQOQHCPFYNODP-UHFFFAOYSA-N 383.470 -0.050 30 20 GBED N#CC[C@@]1(O)CCN(C(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)C1 1345880579 XEWIWVQTTMUJML-HNAYVOBHSA-N 385.424 -0.434 30 20 GBED COC(=O)c1nc(=NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc[nH]1 1520446356 RZZVMRMDBYVYJR-UHFFFAOYSA-N 375.366 -0.638 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCC[C@H]2CS(N)(=O)=O)CC1 1560072553 NWXDURMACKTRBT-HOTGVXAUSA-N 385.534 -0.178 30 20 GBED COCC#CCN1CC[C@H](NC(=O)C2CCN(Cc3cnn[nH]3)CC2)[C@H](O)C1 1576954009 ULVRAQQJHHXRQU-ZWKOTPCHSA-N 390.488 -0.782 30 20 GBED C#CCNC(=O)[C@@H](C)NCC1(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCC1 1588353589 YBVKMADHEMKOTI-GFCCVEGCSA-N 384.444 -0.035 30 20 GBED C#CCNC(=O)CC(=O)N[C@@H](C)C[C@H](C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588354233 JKVAMFDJMLYAEO-QWRGUYRKSA-N 386.416 -0.653 30 20 GBED C[C@@H](C#N)OCCOC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588934744 SMRWDSSTZYWGKY-JTQLQIEISA-N 380.386 -0.383 30 20 GBED N#CCSCC(=O)N[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2F)C[C@H]1O 1592679023 CTSXFMICOHLZPG-GHMZBOCLSA-N 378.393 -0.677 30 20 GBED C=C[C@](C)(O)CC(=O)NC[C@@]1(C)CN(c2cnc(-c3nn[nH]n3)cn2)CCO1 1602794551 UZIGQEBRSCDTKD-IRXDYDNUSA-N 388.432 -0.305 30 20 GBED C=CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](n3cc(C(=O)O)nn3)C2)C1 1609407257 WLUOPZKLDJQTFR-OLZOCXBDSA-N 377.401 -0.057 30 20 GBED CC(C)(C)[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782009631 RERSTRRWVYDICU-VVFCZOMOSA-N 380.441 -0.005 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])o1)CCO2 1783554788 FOUKXIBLPLXWFM-MRXNPFEDSA-N 377.309 -0.281 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783751225 AWKLVZNNZFNNHG-OXQOHEQNSA-N 391.468 -0.133 30 20 GBED CN1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)C#N)C[C@@H]32)CC1 1788190776 RDODMVSMQKQKFX-ULQDDVLXSA-N 391.516 -0.237 30 20 GBED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1788771516 SCCREHPFPHGLNB-VGWMRTNUSA-N 394.472 -0.333 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nccnc1OC)C2 1793340651 MYRKZCWYTJXZFT-APIJFGDWSA-N 388.424 -0.273 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CNCP(=O)(O)O)c1 1795966788 PWFLLCSVRLBQJL-CLLJXQQHSA-N 395.356 -0.137 30 20 GBED C[C@H]1CCc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)n[nH]c21 1796975344 JVJYLPAAFARFOG-PXDYOCJYSA-N 386.408 -0.249 30 20 GBED COc1ccccc1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778802 HBIOFEFRKPFMSY-YVWYUNDQSA-N 386.404 -0.085 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccc(O)nn2)[C@@H]1c1cccnc1 1805271002 SRQDBQVTMUYKBM-ACJLOTCBSA-N 395.375 -0.015 30 20 GBED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3CCNC(=O)C3)sc2C1 1826228372 LMCMXPQYWPIFRF-ZJUUUORDSA-N 390.421 -0.331 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C)CCO2)C1 1834940934 PMTXAYMGTVIIIT-HNAYVOBHSA-N 383.489 -0.423 30 20 GBED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839856919 LJJOXPSYNLMVKE-KRWDZBQOSA-N 385.486 -0.502 30 20 GBED NC(=O)c1nccnc1C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1844595976 QLEKVVYJMIWLBO-FOKLQQMPSA-N 399.455 -0.136 30 20 GBED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)n2[nH]cnc2n1 1847802602 FKOLECOZNHANBN-UBHSHLNASA-N 384.396 -0.729 30 20 GBED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1C#N 22457303 HEFRPGRLUMTPFM-CYBMUJFWSA-N 385.467 -0.128 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)C1=O 53270522 PRHHQHQFHZOIRM-UHFFFAOYSA-N 379.394 -0.317 30 20 GBED C=Cn1cc(/C=c2/s/c(=C(\C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)cn1 278052389 TWJRGYYOEFZVGK-PZJGXPBYSA-N 385.449 -0.458 30 20 GBED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1ccccc1C#N 281535136 MYOUTYXIQWUZQK-UHFFFAOYSA-N 380.470 -0.031 30 20 GBED N#Cc1ncn(CCNC(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1 287166172 QQPPKQKFLLOKEW-INIZCTEOSA-N 382.428 -0.296 30 20 GBED C=CCN1CCC(NC(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)CC1 288167365 FECZMWCIAGRDOR-UHFFFAOYSA-N 387.484 -0.035 30 20 GBED N#Cc1cncc(S(=O)(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 289870400 QSZCPPKDOPKHJA-CYBMUJFWSA-N 388.471 -0.280 30 20 GBED CC(C)N1CC[C@@H](/N=C(/O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)C1=O 329711874 PEGKPBPIGVXZAU-LLVKDONJSA-N 376.417 -0.210 30 20 GBED C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 349458513 FGOJIUCAKGDGPR-ZYHUDNBSSA-N 391.475 -0.792 30 20 GBED CCN(C1COC1)S(=O)(=O)CCCS(=O)(=O)Nc1n[nH]c(C)c1C#N 349472321 FXSOJSIFLMPLQX-UHFFFAOYSA-N 391.475 -0.228 30 20 GBED CC(C)[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C[C@@H]1C 349513660 XURFDLSGVDZZTB-QWHCGFSZSA-N 394.519 -0.616 30 20 GBED CN([C@@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)Nc1ccc(C#N)cn1 349529209 ZJWUQLFPXBTTKS-CYBMUJFWSA-N 388.471 0.136 30 20 GBED Cc1nc(NS(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CC2)nn1C 349566278 DQIRBRRPLLJHKV-UHFFFAOYSA-N 376.464 -0.522 30 20 GBED C[C@H]1C(=O)N(C)CCN1S(=O)(=O)CCCCS(=O)(=O)N(C)CC#N 349605056 UNGHMKQRPNTVFC-LBPRGKRZSA-N 380.492 -0.956 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCNC(=O)c2ccc(O)cc2)n1 436827966 LHWDJFFJJSAUIA-UHFFFAOYSA-N 384.396 0.526 30 20 GBED COC(=O)CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C 444051222 LRUKSIRUCZAMPU-UHFFFAOYSA-N 375.428 -0.376 30 20 GBED Cn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)CC#N)cc2)c(=O)n(C)c1=O 476223770 RMTVBQMHCUBDIZ-UHFFFAOYSA-N 398.422 -0.818 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@@H]34)CC2)nc1 502276618 LMDYGZVBVKIZQA-HOTGVXAUSA-N 396.451 -0.129 30 20 GBED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 540271118 GUJZNDPWODRZGX-UHFFFAOYSA-N 382.446 -0.232 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)C1=O 562347405 HCVORHAIXJVBER-CYBMUJFWSA-N 391.428 -0.432 30 20 GBED Cc1nc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)nn1C 590215680 RPPPXJPADQSMMK-UHFFFAOYSA-N 384.400 0.148 30 20 GBED CC#CC[C@H](CO)NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 591929501 QLDAXFKQFZOHPZ-GFCCVEGCSA-N 384.414 -0.053 30 20 GBED COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCCCNS(C)(=O)=O 593529660 QNGUVBHWCIIQIY-UHFFFAOYSA-N 375.428 -0.438 30 20 GBED N#C[C@@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 597744312 QZNNYSAPFRTNDN-RYUDHWBXSA-N 382.398 -0.004 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN([C@@H]4CCOC4)CC3)CC2)o1 611348888 OFQKGNQXOITZBY-MRXNPFEDSA-N 388.472 -0.090 30 20 GBED CN(C)S(=O)(=O)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 625073945 OWBLAJAFEZONHF-UHFFFAOYSA-N 390.465 -0.290 30 20 GBED C=CCN(CCOC)C(=O)C(=O)N1CCC(N2C[C@@H](C(=O)O)CC2=O)CC1 652659066 MLVRLIBEJVFNDO-ZDUSSCGKSA-N 381.429 -0.429 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CSCN2C(=O)C(C)(C)C)CC1 730076836 AILSJHRRQMIFKO-CQSZACIVSA-N 380.514 -0.172 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1cccc(-n2cnnn2)c1 731851349 SJVSMLAVAHWZFU-PFONDFGASA-N 389.397 -0.533 30 20 GBED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COc2cccc(C(C)=O)c2)CC1 761032543 JYQMWFIJUHHZGR-QGZVFWFLSA-N 395.481 -0.286 30 20 GBED COC(=O)CN(CC#N)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O 771362755 ONUPLAOZDUWHMN-SFHVURJKSA-N 388.380 -0.013 30 20 GBED C=CCOC[C@H](NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)C(=O)OC 797682506 SOVGXBUPZIBRLX-ZDUSSCGKSA-N 395.437 -0.072 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1)[C@@H]1CCCO1 809309558 NMUBGPRRASVZOO-PMPSAXMXSA-N 378.473 -0.658 30 20 GBED CS(=O)(=O)N=S1(=O)CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 820723834 IOFPBYFSBMVPLL-UHFFFAOYSA-N 377.469 -0.010 30 20 GBED COCC#CCN1CCN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 826147191 POCOVQANVYBHFC-UHFFFAOYSA-N 376.442 -0.177 30 20 GBED C#CC[C@H](NC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)OC 839800568 VSJUUFYLTDIJFO-LBPRGKRZSA-N 384.410 -0.337 30 20 GBED CN1CCN(S(=O)(=O)c2cccc(NC(=O)N[C@H]3CNC[C@@H]3C#N)c2)CC1 841080943 RULACZCILPMHTM-BBRMVZONSA-N 392.485 -0.144 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(C(=O)OC(C)(C)C)=NO2)CC1 848070156 IEPUSOBCBNRNNB-CQSZACIVSA-N 378.429 -0.633 30 20 GBED C#CC1(O)CN(C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 890519773 SHJOOVNCHXNVRI-UHFFFAOYSA-N 394.449 -0.535 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(OC)ncn2)C1 1023860986 OTTNCHBBFNYLKS-NGFQHRJXSA-N 376.413 -0.232 30 20 GBED N#Cc1nc(=N[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@@H]2n2ccnn2)cc[nH]1 1039625019 KGWAVHQSIUAKGG-ZSAUSMIDSA-N 380.412 -0.207 30 20 GBED C[C@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCNS(=O)(=O)c1cnn(C)c1 1110402058 VYYZZHRDPZOEPX-GBOPCIDUSA-N 380.474 -0.420 30 20 GBED C=CCNc1nnc(S(=O)(=O)CC(=O)N[C@H]2CCS(=O)(=O)C2)s1 1116744924 ZAKRVYIOIQMRBA-QMMMGPOBSA-N 380.473 -0.787 30 20 GBED NC(=O)C1(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 1118774615 OSYIUXZXRCDVSS-UHFFFAOYSA-N 380.426 -0.734 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2Cc2cccc(C)c2)CC1 1120118478 AILAGGJDFWMKEK-UHFFFAOYSA-N 375.458 -0.381 30 20 GBED COC(=O)N1CC(NC(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)C1 1261708272 FHEJETPUYJAAPB-UHFFFAOYSA-N 377.426 -0.165 30 20 GBED C[C@@]1(C#N)CCCN(C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1 1322802631 NUYOSTINASTOPK-HNNXBMFYSA-N 388.515 -0.367 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1)[C@H]1CCCO1 1323379348 UYXRRARAYBXNPC-JKSUJKDBSA-N 393.465 -0.481 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCN2CCS(=O)(=O)CC2)cc1 1323391256 YXPIBUWOZZMMEG-UHFFFAOYSA-N 399.494 -0.680 30 20 GBED C=CCn1cc(CNC(=O)C(=O)NCc2ccc(S(=O)(=O)NC)s2)nn1 1326719450 WKZFOWPZNRISTL-UHFFFAOYSA-N 398.470 -0.634 30 20 GBED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C1 1338612266 KVYAIZMJZQQQMV-ZIAGYGMSSA-N 375.381 -0.435 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)NCc2nnnn2C2CC2)CCN1Cc1ccccc1 1342782410 BWLVYVSQOFVJCK-MRXNPFEDSA-N 394.439 -0.139 30 20 GBED C#C[C@@H](NC(=O)C(=O)N1CCC(N(C)S(=O)(=O)CC)CC1)[C@H]1CCCO1 1343082173 XYAJCLGCQGHWFL-HUUCEWRRSA-N 385.486 -0.444 30 20 GBED CN(CCc1cccc(-c2nn[nH]n2)c1)C(=O)Cn1cc(C#N)c(O)nc1=O 1571153905 VCJYSWRLVUDHRB-UHFFFAOYSA-N 380.368 -0.298 30 20 GBED C=C1CCC(C(=O)NC[C@@H]2CN(CC(=O)NCc3cnn[nH]3)CCO2)CC1 1575061072 APJZFZARLVYSLX-MRXNPFEDSA-N 376.461 -0.016 30 20 GBED C#CCOCCC(=O)NCC1(O)CN(Cc2ccc(-c3nn[nH]n3)s2)C1 1588361045 BXWNREQBCPQPSK-UHFFFAOYSA-N 376.442 -0.369 30 20 GBED C#Cc1ccc(C(=O)N(CCO)CCNc2nccnc2-c2nn[nH]n2)nc1 1588366518 VHTGFKZAYRKQRK-UHFFFAOYSA-N 379.384 -0.420 30 20 GBED C=CCCO[C@@H](C)C(=O)N1CCO[C@@H](CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 1588609079 UCNWHVQQIPNYAX-STQMWFEESA-N 388.432 -0.301 30 20 GBED N#Cc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)nc1 1592693192 KQDJNQQRXGILIF-UHFFFAOYSA-N 398.408 -0.272 30 20 GBED N#Cc1cccc(-c2nn[nH]n2)c1N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 1592698867 LCUMSUYCWBVNNZ-UHFFFAOYSA-N 386.401 -0.633 30 20 GBED N#CC1(CS(=O)(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)O)CCCC1 1601058460 UGEKCBUWHWNKOZ-QWRGUYRKSA-N 384.414 -0.521 30 20 GBED N#Cc1ccc(NC(=O)C(=O)NCCn2cnc(-c3nn[nH]n3)n2)c(Cl)c1 1609498613 RWRKORGZUBNEMK-UHFFFAOYSA-N 386.763 -0.262 30 20 GBED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1nncn1C 1741676048 VUORSINJFFWXFD-AWEZNQCLSA-N 398.475 -0.230 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CC(=O)NCC(F)(F)F)C1 1757206064 JRLOWZYXRCINKE-WYUUTHIRSA-N 393.362 -0.666 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1782620704 HXJXOKWPGOFARP-FRECMFIJSA-N 377.441 -0.106 30 20 GBED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)N1CCOCC1)CCO2 1783907789 RJYBIFNALQOGCN-IEBWSBKVSA-N 379.457 -0.730 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnnn3C)C[C@@H]21 1784479161 ZKZREXSAWJZJMY-HOSILWTGSA-N 375.429 -0.553 30 20 GBED NC(=O)[C@@H](N)CCC(=O)NC1(c2ccc(NC(=O)C#CC(=O)O)cc2)CCC1 1791444933 SDTSAYYURYGNFJ-AWEZNQCLSA-N 386.408 -0.199 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@](C)(O)CC(=O)O)C2 1793346778 MBTCVCNENOPMNX-LZQKGTGASA-N 396.440 -0.770 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C2 1799302040 VGZVZBUFZLENHA-ZJOBFFGXSA-N 395.456 -0.403 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](NC(C)=O)C(C)(C)C)CCO2 1831094552 SOKJYEFQOKCGPB-LPHOPBHVSA-N 379.457 -0.373 30 20 GBED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1831217841 BHSRGSDDMURPRG-LJQANCHMSA-N 389.408 -0.350 30 20 GBED CSCC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831224374 KOPJQDZTSSOIEG-VQIMIIECSA-N 396.509 -0.030 30 20 GBED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1831424009 AWPZUCISDBZHCT-RDTXWAMCSA-N 393.444 -0.226 30 20 GBED COC(=O)CSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1831443311 VUSHHNNEFGQNIK-MRXNPFEDSA-N 385.442 -0.737 30 20 GBED CNC(=O)CC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096090 OOMDKGHIKWBTIY-NRFANRHFSA-N 399.447 -0.369 30 20 GBED CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC#N)CCO2 1835355111 ULNAXVYDHVAGHY-SFHVURJKSA-N 380.445 -0.385 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSC(=N)N)CCO2 1835515076 CPTREHGCFOOOIK-KRWDZBQOSA-N 382.486 -0.127 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc[nH]n3)CCO2)C1 1836347287 DXAXDMWHSNNUOE-LRDDRELGSA-N 383.474 -0.171 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839856920 LJJOXPSYNLMVKE-QGZVFWFLSA-N 385.486 -0.502 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1840841668 NVIUTHZKUQPSHW-HXUWFJFHSA-N 387.436 -0.282 30 20 GBED CC(C)[C@H](S)C(=O)N1CCCC12CN(C(=O)CNCP(=O)(O)O)C2 1841624350 WNKUESDKAQZMBR-LBPRGKRZSA-N 379.419 -0.131 30 20 GBED COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)CC[C@@H](N)C(N)=O)C2)c1 1842945752 JNDACEKLKDHDNB-MRXNPFEDSA-N 399.451 -0.023 30 20 GBED O=C1CNC(=O)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C/N=C/c1ccco1 1848030118 OISVPHGCKGRULA-UUYMMEPTSA-N 387.396 -0.548 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CC(=O)OC)C(=O)OC)c1 56014026 GWSPZLOUDHNXST-ZDUSSCGKSA-N 384.410 -0.015 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)cc1 267292119 YZFRFPMWJPQBMH-CQSZACIVSA-N 377.422 -0.136 30 20 GBED N#Cc1ccc(S(=O)(=O)CCN2CCN(C(=O)C(=O)NC3CC3)CC2)nc1 290201602 GSRDSLAJPYUESP-UHFFFAOYSA-N 391.453 -0.850 30 20 GBED CCN1CCN(C/C(O)=N/C2CCN([C@H]3CCN(C)C3=O)CC2)C(=O)C1=O 329425475 IWSQRURGXJFKBJ-AWEZNQCLSA-N 379.461 -0.671 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(O)(C(F)F)C1 349443741 BKXNGGOIBBEHQH-UHFFFAOYSA-N 395.409 -0.169 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H]1C(N)=O 349467334 HDAUSZNKENXQQC-WDEREUQCSA-N 386.455 -0.485 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCN(C)C(=O)C1(C)C 349476137 OJDDOXQEEIDPIM-UHFFFAOYSA-N 394.519 -0.566 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2CCCOCC2)c1C#N 349523482 OICUBRAOUGRLAZ-UHFFFAOYSA-N 391.475 -0.226 30 20 GBED N#CC1(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCCCC[C@H]2O)CC1 349611230 FNINVHSDGZQDML-CHWSQXEVSA-N 379.504 -0.035 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C1 367141307 RDSAFUQGERZJHJ-CQSZACIVSA-N 381.458 -0.007 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 374449862 PWYSEMCWBUZKLP-ZIAGYGMSSA-N 394.519 -0.551 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@@](C)(C(=O)O)C1 422907291 WUUNWENVJJOOBB-KZULUSFZSA-N 386.412 -0.291 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@@H](OCC)[C@@H](C)C2)CC1 459886264 OJIXFDKCYYJDNF-JKSUJKDBSA-N 380.489 -0.294 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)s3)CC2)CC1 486796719 KWVPXUKTOFQREF-UHFFFAOYSA-N 383.499 -0.130 30 20 GBED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN4C(=O)CC[C@@H]4C3)n2)cc1 498669350 VYVDMUWRQZMIFF-OAHLLOKOSA-N 393.407 -0.030 30 20 GBED N#Cc1ncn(CCNC(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)n1 510615657 NTUIRSAHEOYHAR-CYBMUJFWSA-N 399.411 -0.226 30 20 GBED N#CC1(NS(=O)(=O)c2ccc(S(=O)(=O)N[C@H]3C[C@@H](C(N)=O)C3)cc2)CC1 594628283 CCVUJUYCIHZVMA-PHIMTYICSA-N 398.466 -0.437 30 20 GBED CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 645882385 MSCLTXNWKNMKQI-APPDUMDISA-N 395.437 -0.198 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccc(F)cc3)ccc2=O)CC1 731630147 NIQZXRSHIKNGMY-UHFFFAOYSA-N 397.410 -0.121 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(C(=O)C(=O)O)CC2)cc1 738432288 HDJROZLHOGIZMD-UHFFFAOYSA-N 379.394 -0.772 30 20 GBED CCN(CCC#N)C(=O)COC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 745585336 CKNJEEGDWPZQDL-UHFFFAOYSA-N 381.410 -0.135 30 20 GBED C[C@H](OC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)NC1(C#N)CCCCC1 748430257 VNUXQSIXXOFMFO-NSHDSACASA-N 383.430 -0.195 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)CCn3cc[nH]c(=O)c3=O)C2=O)cc1 754438173 NWIUCSTXHIGZCG-OAHLLOKOSA-N 381.392 -0.284 30 20 GBED C#CCNS(=O)(=O)N1CCN(CC(=O)NC(=O)NCc2cccs2)CC1 761029852 RTMUOUPVPQAQSI-UHFFFAOYSA-N 399.498 -0.841 30 20 GBED CC1CC(C#N)(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 767424542 LCMDLBRCNRARHZ-UUCFBXCCSA-N 383.470 -0.199 30 20 GBED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(O)(C(=O)O)CC1 776643153 DTPZEGSPFKYNGI-UHFFFAOYSA-N 395.437 -0.057 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)c2c(C)nn(C)c2-n2cc(C)cn2)CC1 778707675 UJEVKSIXUSLLFK-UHFFFAOYSA-N 383.456 -0.270 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)OC)cc1 783346546 DTQRQMGOOMSMJP-UHFFFAOYSA-N 383.426 -0.025 30 20 GBED C#C[C@@H](NC(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1)[C@H]1CCCO1 787197083 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CS(=O)(=O)N1CCN(C(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1 1325144457 IWUYQVNABKKHRA-UHFFFAOYSA-N 392.437 -0.748 30 20 GBED CS(=O)(=O)CCN1CCC(NC(=O)C(=O)NCc2ccc(C#N)cc2)CC1 1328699871 HAIMHXWZNACPOZ-UHFFFAOYSA-N 392.481 -0.200 30 20 GBED N#C[C@@H](C(=O)c1c[nH]c(C(=O)N2CCCC2)c1)C(=O)N1CCS(=O)(=O)CC1 1343441587 GNHBDYKXQRYUMZ-ZDUSSCGKSA-N 392.437 -0.170 30 20 GBED CN(C)CCOc1cc(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)ccn1 1345879407 GGWUBQJJMBGWQR-GOSISDBHSA-N 375.429 -0.485 30 20 GBED N#Cc1cccc([C@@H]2CN(C(=O)C(=O)NCCN3C(=O)CNC3=O)CCO2)c1 1346339156 OXXHHTMXCPSEFI-AWEZNQCLSA-N 385.380 -0.874 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N(C)C[C@H]1CCCN1C 1348659519 MLYNVRQKANKRSO-HUUCEWRRSA-N 385.472 -0.062 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)CCN1C1CC1 1351849899 VJUNWGQXJCQYBG-DOTOQJQBSA-N 387.484 -0.050 30 20 GBED CN(C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)CCn1cc(C#N)c(O)nc1=O 1466220242 RLZVFEQAJQFECY-QLFBSQMISA-N 375.429 -0.079 30 20 GBED C[C@H](C#N)C(=O)N1CC2(CC[C@@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)O2)C1 1573561716 MGUOTKCZWNAJTG-MNOVXSKESA-N 384.400 -0.156 30 20 GBED C#CCN1CCN(C(=O)CN2CCc3c(sc(N)c3-c3nn[nH]n3)C2)CC1 1588351284 MUKLMTGUUJVDKS-UHFFFAOYSA-N 386.485 -0.354 30 20 GBED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@](O)(C(=O)O)C1 1601268365 AQEBLIQXVZQLQQ-MRXNPFEDSA-N 381.410 -0.447 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)O)c1 1602702178 KRHCXOMIQDXIIB-LBPRGKRZSA-N 395.437 -0.351 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1O 1602728096 WTYCMQQGEFAFIF-XZJROXQQSA-N 388.403 -0.295 30 20 GBED CN(CCOCCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1ccnc(C#N)n1 1604781771 YMZALWAQRLXDFN-UHFFFAOYSA-N 382.388 -0.261 30 20 GBED N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)C1 1610618886 BFWMDHLRLFYSHE-KRWDZBQOSA-N 376.344 -0.167 30 20 GBED CCOC(=O)c1c(NC(=O)N2C[C@@H](O)[C@@H](CO)C2)c(C#N)cn1CCOC 1623545880 STJTWBYFQBQXPE-CHWSQXEVSA-N 380.401 0.000 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2(COC)CCOCC2)C[C@H]1O 1757036617 UQKKEOGRACJYJH-FPCVCCKLSA-N 382.457 -0.291 30 20 GBED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c1 1778849389 GNLJGNDWYGFHKV-GOSISDBHSA-N 398.427 -0.337 30 20 GBED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1781396946 WFXWUQRZUDXAMK-YRBFXIGRSA-N 382.461 -0.660 30 20 GBED O=C(CN1C(=O)C=CC1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2 1782312088 YGSKBLBIUHKMMW-IIBYNOLFSA-N 399.447 -0.161 30 20 GBED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785154198 CKBUHZFVAHUUDD-QTVXIADOSA-N 392.456 -0.224 30 20 GBED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C[C@@H]21 1791273135 PZQGZWNGZCVETP-QPSCCSFWSA-N 387.502 -0.130 30 20 GBED C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792628978 BJLDGQGUJLKGGU-FQUUOJAGSA-N 385.486 -0.194 30 20 GBED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cscn1)C2 1795418295 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C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1840161628 WGBGFWQLVWGOQR-MEDUHNTESA-N 398.489 -0.906 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840484614 AFGXNROQNIONGI-ACJLOTCBSA-N 395.481 -0.018 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CSCN2C(=O)CCC)CC1 264922007 QAAIILVPJWKSSY-OAHLLOKOSA-N 380.514 -0.028 30 20 GBED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 267564394 OUARHMFXSLTQOK-UHFFFAOYSA-N 391.403 -0.457 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)C1=O 270385729 WQXKWKYRYVGWLF-ZIAGYGMSSA-N 375.381 -0.436 30 20 GBED CNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 287380161 NKYUMTIQPWKKQY-UHFFFAOYSA-N 378.863 -0.018 30 20 GBED O=C(CN1CCC[C@@H]1/C(O)=N/C1CC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 329007844 NOPKVFCGAOGKQY-HZPDHXFCSA-N 398.529 -0.099 30 20 GBED Cn1ccc(N2CCC[C@@H](N/C(O)=N/C3CCN(S(C)(=O)=O)CC3)C2=O)n1 329306835 PIMVZWAKBMIPIY-CYBMUJFWSA-N 398.489 -0.157 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(C(O)=Nc3cccn(C)c3=O)CC2)cn1C 330089712 WBSGKFDMLSELOF-UHFFFAOYSA-N 394.457 -0.021 30 20 GBED CCCS(=O)(=O)N1CCC(NS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409595301 KYEOORLUECKELT-CYBMUJFWSA-N 380.492 -0.751 30 20 GBED CN(C)CCNC(=O)c1cccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)c1 410155233 ODUOCAVUMIJBRA-INIZCTEOSA-N 395.485 -0.463 30 20 GBED C=CCn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508479541 AYPTYAHXORAVGZ-STQMWFEESA-N 378.433 -0.665 30 20 GBED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cnc[nH]3)CC2)cc1 522986871 ZSKRQNOGWLVTRR-UHFFFAOYSA-N 381.439 -0.023 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CC#N)CC2)cc1 565842789 GPADTHAAYXLFLC-UHFFFAOYSA-N 397.482 -0.339 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)NCCS(=O)(=O)N(C)C)CC2)c1C#N 571848302 CKUWRXMJGHWLAI-UHFFFAOYSA-N 383.478 -0.677 30 20 GBED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587659725 XJRNHOJQXPGTMK-CYBMUJFWSA-N 384.440 -0.225 30 20 GBED N#Cc1cc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)ccc1Br 590228043 OYRUKFZSXBHFRU-UHFFFAOYSA-N 394.185 -0.073 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CC(N)=O 608911876 ULDBEGYAKPFUKV-UHFFFAOYSA-N 384.461 -0.267 30 20 GBED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669807463 YXIUJNSPINQSJH-UHFFFAOYSA-N 385.494 -0.469 30 20 GBED C#CCNC(=O)CN1CCN(CC(=O)N2CCC[C@@H](C(=O)OCC)C2)CC1 728686942 YWHUVYXGEUHAMA-MRXNPFEDSA-N 378.473 -0.845 30 20 GBED C#Cc1cccc(N(CC(=O)NC)C(=O)CN2C(=O)C(=O)N(CC=C)C2=O)c1 751112068 JOUQWFJZKQMQGK-UHFFFAOYSA-N 382.376 -0.276 30 20 GBED C#CCCN(CC(F)(F)F)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 768618902 ZRBYBSRTHCFPFY-UHFFFAOYSA-N 380.348 -0.194 30 20 GBED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)Cn2cnc(C#N)n2)CC1 769142937 IKNQPWSSNVUDGK-UHFFFAOYSA-N 377.405 -0.655 30 20 GBED C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 798488273 KXWMGHSJSOUTHR-DIFFPNOSSA-N 395.437 -0.198 30 20 GBED C#CCC[C@H](O)CNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 799078335 FFZOKLXVPMNVMJ-JSGCOSHPSA-N 379.438 -0.423 30 20 GBED CC#CCS(=O)(=O)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 810778892 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HRXYKDPAEQZYLP-ZOBORPQBSA-N 375.429 -0.953 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CN(C)CCO1 1109114086 XMDIKNDVRBYXMZ-QPSCCSFWSA-N 379.461 -0.950 30 20 GBED C=CCOCCN[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@@H]1n1ccnn1 1129939572 KRWAOWLPDJASHN-IECFSIQFSA-N 391.472 -0.126 30 20 GBED C[C@H]1CN(C[C@H]2CCCN2C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H](C)O1 1142372030 ZZVDYJBTPPKVEJ-VNHYZAJKSA-N 375.429 -0.079 30 20 GBED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCN3CCNC(=O)C3)C2=O)cc1 1320223596 GPCDGMXZDVOZLI-HNNXBMFYSA-N 398.423 -0.689 30 20 GBED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 1321385620 VXYWZFUZMUAAJN-LBPRGKRZSA-N 376.413 -0.598 30 20 GBED COCCOC[C@@H](C)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1323157619 KYKGEBBQOSXMJK-CQSZACIVSA-N 375.429 -0.230 30 20 GBED CN(C(=O)C(=O)N1CC[C@@](O)(CC#N)C1)[C@@H]1CCN(CC(F)(F)F)C1=O 1326248050 GJYCHANQEQBGMM-YGRLFVJLSA-N 376.335 -0.515 30 20 GBED CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C(=O)NCC#Cc2ccccc2)C1=O 1327227044 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20 GBED C#CCNC(=O)CN1C[C@H]2C[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]1C2 1588354533 PCTCMYZNMMVEAU-FPMFFAJLSA-N 382.428 -0.473 30 20 GBED C=CCCOCC(=O)NC[C@H]1CN(c2cncc(-c3nn[nH]n3)n2)CCCO1 1588615970 PJYJKACQFLLWFP-ZDUSSCGKSA-N 388.432 -0.039 30 20 GBED C=CCOCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C[C@H]1O 1588676185 PZCUMGBBPKAUAC-HUUCEWRRSA-N 376.392 -0.130 30 20 GBED O=C(O)C[C@@H]1CS(=O)(=O)CCN1CC#CCN1C(=O)c2ccccc2C1=O 1601969248 ZWSICJAFUXRZBB-CYBMUJFWSA-N 390.417 -0.140 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1ccc(OC)c(-c2nn[nH]n2)c1)[C@H]1CCCO1 1602689950 XFPKUEUCQMXSDJ-DZGCQCFKSA-N 384.396 -0.212 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)O)[C@H](C(=O)OC)C2)cc1 1602726273 OLRFJLNENVQUJO-ZIAGYGMSSA-N 394.405 -0.456 30 20 GBED N#Cc1cn(CC(=O)NCc2ccccc2CN2CC[C@H](O)C2)c(=O)nc1O 1638380816 UXAPHXPBSHARGI-INIZCTEOSA-N 383.408 -0.296 30 20 GBED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCO1 1741944289 LRZLKQPILWBJTQ-YNEHKIRRSA-N 384.462 -0.204 30 20 GBED CCCC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779255781 JZWZGHKHIJXGPO-UGSOOPFHSA-N 379.413 -0.791 30 20 GBED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)NC1)C2 1782009290 JHMXHFWHUUQCSH-PJIJBLCYSA-N 391.424 -0.886 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1783562089 BIOOZXIBRNHBRQ-SFHVURJKSA-N 383.364 -0.739 30 20 GBED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)NC(=O)C=C)C2 1793358052 NAJRKKGEZZPIKM-LBKYZSNHSA-N 379.457 -0.142 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)n1 1796354323 RYAWRMRGIDBAAL-MCYUEQNJSA-N 390.396 -0.871 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnnc1O 1798384256 RUSKYNLUPQZCHL-NEBZKDRISA-N 390.440 -0.042 30 20 GBED NC(=O)[C@H](N)CCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C/N=C/c1ccco1 1798520138 FPIAALQZTZYOFC-RQZFCFCASA-N 389.456 -0.071 30 20 GBED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cnc(O)[nH]2)[C@H]1c1cccnc1 1812879934 DQAJNHKODDKERO-WBMJQRKESA-N 383.364 -0.082 30 20 GBED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1 1835575480 RUCZTRRIROXYFO-BEFAXECRSA-N 393.488 -0.306 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccnc1)CCO2 1836161678 JFWLSSBTFPYTBT-IBGZPJMESA-N 387.392 -0.832 30 20 GBED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=S)NCC)CCO2 1839655965 ZLDGIABDGDZMEP-KRWDZBQOSA-N 384.502 -0.497 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1839807663 DPUORFBSTLJWOF-UXHICEINSA-N 399.403 -0.189 30 20 GBED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)CC1 1839898483 BNRINVXYOSXSSP-BLLLJJGKSA-N 386.470 -0.286 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3)C2)C1 1840042496 XRWQWFBYYLCPQE-SFHVURJKSA-N 391.355 -0.621 30 20 GBED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1840158612 NWYMFOXCRAPCKE-ZBEGNZNMSA-N 382.442 -0.430 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840194164 CKPIMRQHKJWHFZ-XHDPSFHLSA-N 392.499 -0.421 30 20 GBED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)C1 1840227306 NPTURCHYUPYEID-FOIQADDNSA-N 391.468 -0.065 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNC(=O)O4)C3)C2)CCC1 1840812493 UUEPEIBREZGCQL-SCLBCKFNSA-N 392.412 -0.755 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)C1 1843233875 MPAJXXHUVAQSSL-NSHDSACASA-N 387.400 -0.779 30 20 GBED CNC(=O)NC(=O)CCN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 29964902 KZDLPWULIDRDFZ-UHFFFAOYSA-N 379.442 -0.290 30 20 GBED CC(C)/N=C(/NC[C@H]1CCS(=O)(=O)C1)N1CCN(c2cnn(C)c2)C(=O)C1 262372930 IXXUIBAEPGRONB-CQSZACIVSA-N 396.517 -0.143 30 20 GBED CCOC(=O)CO/N=C(/C(=O)N1CCS(=O)(=O)CC[C@H]1C)c1cc[nH]n1 278371386 ROLNEBRHFJGKJW-VVLNONDKSA-N 386.430 -0.271 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)/C(=N/OCC(=O)OCC)c2cc[nH]n2)C1=O 281742001 OSQVPSPYLIJKEX-KCMXIOEKSA-N 377.401 -0.061 30 20 GBED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 286742719 SEYSEXDSXXTGTC-QGZVFWFLSA-N 392.500 -0.007 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCN2CCC(C(=O)OC)CC2)C1=O 299577634 UUQWAFJIJAXXFR-UHFFFAOYSA-N 394.428 -0.646 30 20 GBED CN(C)CCN1CCC(/N=C(/O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 330444746 SXOIUIOCPXLXKX-OAHLLOKOSA-N 375.539 -0.060 30 20 GBED CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N 349524580 PUAUFFQISJYWAH-CHWSQXEVSA-N 394.519 -0.664 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)c1C#N 349537227 ZMJACOJWFKZLBV-JTQLQIEISA-N 377.448 -0.882 30 20 GBED N#Cc1ccc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCOC2)nc1 349607264 UMQUTLDGXHMRFC-CYBMUJFWSA-N 388.471 0.041 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2CN(C)C[C@@H]2C1 349622821 RQQXRLBQXVRIPZ-KFWWJZLASA-N 392.547 -0.237 30 20 GBED COCCN(CCO)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 364133918 BXSHPVJAZZSEHI-UHFFFAOYSA-N 375.360 0.289 30 20 GBED CCN(C[C@H](C)C#N)S(=O)(=O)NCCCCN1CCN(CCO)CC1 410148265 QBQRACOWKOHAFC-MRXNPFEDSA-N 375.539 -0.308 30 20 GBED Cc1c(C#N)cccc1NC(=O)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 415862420 PYJPSXSKVIRTDD-UHFFFAOYSA-N 391.453 -0.749 30 20 GBED C=CCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NCCOC)CC1 508948724 FBFSKMOXERFWSX-HNNXBMFYSA-N 378.477 -0.147 30 20 GBED CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)O1 527842338 JNFRYAWTKZEWAH-QWHCGFSZSA-N 390.400 -0.977 30 20 GBED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1 536359978 PEWIDSWMAQEDSQ-AWEZNQCLSA-N 385.467 -0.247 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCC(=O)N2CCOCC2)n1 536983052 MFXRHWYHWWTTRI-UHFFFAOYSA-N 376.417 -0.187 30 20 GBED CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 539132245 QEVLCEMLUWHVBO-UHFFFAOYSA-N 389.460 -0.057 30 20 GBED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(N)=O)n1 540280426 HDJAFJLLITVDQL-CYBMUJFWSA-N 389.460 -0.096 30 20 GBED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@](C)(C#N)CN(C)C)c1 565604400 QXDZSRXJKKGYMX-KRWDZBQOSA-N 397.501 -0.161 30 20 GBED CC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 567179527 JCJSTPJYLHXKMW-LBPRGKRZSA-N 386.455 -0.226 30 20 GBED N#C[C@@H]1COCCN1C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1 594305841 OKAPROVRXOKNSS-IPYPFGDCSA-N 383.401 -0.299 30 20 GBED C[C@H]1CN(C(=O)C(=O)N2CCN(c3ccsc3C#N)CC2)C[C@H](CO)O1 595186255 KSFUAQYHXAWBJF-QWHCGFSZSA-N 378.454 -0.123 30 20 GBED N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H]3CCCN(S(N)(=O)=O)C3)C2)nc1 597685383 RDFIKLLVBUAAHB-UONOGXRCSA-N 379.442 -0.152 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 599939319 VNGHBOVDOJQGPO-IMJJTQAJSA-N 392.481 -0.107 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(N)=O)cc1 600761997 BTEYFIREVNKUGC-GWCFXTLKSA-N 386.455 -0.485 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nnnn1C1CC1 610809809 IDASBQALSOSAQU-SNVBAGLBSA-N 375.414 -0.137 30 20 GBED Cc1cccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)c1 727163767 HZCQCXSCTSIWOO-UHFFFAOYSA-N 388.474 -0.206 30 20 GBED C[C@@](C#N)(NC(=O)COC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C1CC1 762391011 ACEVDYXTPMIOME-INIZCTEOSA-N 378.410 -0.164 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N(CCO)CCN2CCOCC2)cc1 771814549 FRATWMYCDUUIDK-UHFFFAOYSA-N 395.481 -0.635 30 20 GBED Cc1ccc2c(c1)C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)N2 771893325 ZHNQMJVHFGOMBO-UHFFFAOYSA-N 377.382 -0.973 30 20 GBED CC(C)(C#N)CS(=O)(=O)NC(=O)CNC(=O)CNC(=O)OC(C)(C)C 777350605 MJPJXRIDYLQKJI-UHFFFAOYSA-N 376.435 -0.377 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC3COC(C)(C)OC3)CC2)c1C#N 806657691 KQJXMTNHHVVOBM-UHFFFAOYSA-N 390.444 -0.484 30 20 GBED C[S@](=O)CCN1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 810432059 XHXFMSBPNJAMQO-VWLOTQADSA-N 398.510 -0.641 30 20 GBED O=C(N[C@H]1CCCN(O)C1=O)c1ccccc1S(=O)(=O)N1CCOCC1 848137339 DKXWRFBNOJFKLW-ZDUSSCGKSA-N 383.426 -0.183 30 20 GBED COC[C@@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)C#N)cc1 848941894 NDDCEHGNUGQIGF-NEPJUHHUSA-N 391.471 -0.495 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cncc(C(N)=O)c2)C[C@@H]1O 964503697 ODAGAHSIAZEJPU-FZKCQIBNSA-N 388.424 -0.537 30 20 GBED CN1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2O)CC1 964602031 RHVSUBXXUICENZ-XSYGEPLQSA-N 389.496 -0.165 30 20 GBED C#CCOc1ncccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2CCN(C)[C@@H]2C)C[C@@H]1O 969336003 FBXLYQPXKOFILM-SRABZTEZSA-N 386.452 -0.265 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(CNC(C)=O)o2)C[C@@H]1O 970702421 RCHSBDAINGVLCI-WCVJEAGWSA-N 391.424 -0.192 30 20 GBED C=CCNC(=O)[C@@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(CCOC)nn1 1109265978 JGJBHAGKYBUMPS-NYTXWWLZSA-N 376.461 -0.050 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 1117584171 NGNAADKBIVPMFU-DOMZBBRYSA-N 376.500 -0.126 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C)S(=O)(=O)[C@H](CC)C2)C1=O 1117902763 TVXWMFPMUZNISU-MCIONIFRSA-N 385.486 -0.344 30 20 GBED Cc1c(Br)c(C)n(NC(=O)[C@@H]2CCS(=O)(=O)N2)c(=O)c1C#N 1118384324 SBLHQUFVVIPFJL-VIFPVBQESA-N 389.231 -0.139 30 20 GBED C=CCn1c([C@H]2SCCNC2=O)nnc1N1CCN(C(=O)COC)CC1 1121503671 PUFNSDYUFNQZRQ-CYBMUJFWSA-N 380.474 -0.337 30 20 GBED COC(=O)C1(C#N)CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1 1128962897 VCRKNMVFKZBLQO-UHFFFAOYSA-N 378.410 -0.211 30 20 GBED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N1CCN(c2ccsc2C#N)CC1 1261612374 QDOLXPGVTCYWRW-GFCCVEGCSA-N 375.454 -0.043 30 20 GBED COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 1321008646 GMKMCBICDPPQTE-HUUCEWRRSA-N 393.444 -0.084 30 20 GBED CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)NCc1ccc(C#N)c(F)c1 1328943971 YZABZLUXUQGSAF-CYBMUJFWSA-N 382.417 -0.146 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C2CCOCC2)nn1C 1331754597 QPQOAEAIUGKYTH-UHFFFAOYSA-N 384.458 -0.030 30 20 GBED N#CCCN1CCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 1333413636 JYNFQWZHQJDYIS-UHFFFAOYSA-N 377.470 -0.246 30 20 GBED C#CCN1CCC(c2nnc(N(C)CCNS(C)(=O)=O)n2CCOC)CC1 1341655105 GAHDFISMRQOONB-UHFFFAOYSA-N 398.533 -0.278 30 20 GBED COC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCO1 1344643304 JWWKGRZURMOKMK-CQSZACIVSA-N 387.396 -0.998 30 20 GBED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCOC1 1541106421 WFBGERKEPVFYMH-JMSVASOKSA-N 386.478 -0.364 30 20 GBED CN(C)[S@@](C)(=O)=NC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1559415018 AVWYOIDDYLUKSI-SANMLTNESA-N 381.458 -0.347 30 20 GBED C=CCCN1CCC(N(Cc2cnn[nH]2)C(=O)c2cn(CC(N)=O)nn2)CC1 1575097482 LKDFHVYSXLFKBC-UHFFFAOYSA-N 387.448 -0.436 30 20 GBED C#CCNC(=O)[C@@H](C)NCC[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353510 VRSJDVXONXDZIJ-OLZOCXBDSA-N 384.444 -0.226 30 20 GBED C#Cc1cncc(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)c1 1588381338 YMNYHXNWRYKHQG-ZDUSSCGKSA-N 380.368 -0.908 30 20 GBED C=C[C@@H](C(=O)NC[C@H](CO)N=c1cc[nH]c(-c2nn[nH]n2)n1)c1ccccc1 1588468597 UUCRBZJGCCULEY-ZIAGYGMSSA-N 380.412 -0.063 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[nH]n2)nn1 1588499460 IRILISPLGYBYSC-BZNIZROVSA-N 376.421 -0.761 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CNc1ncc(-c2nn[nH]n2)cc1F 1588500088 QOAQHGVXKZWDOG-ZBEGNZNMSA-N 379.396 -0.041 30 20 GBED C=CCOC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O 1588850740 BIISAKZKHFJQMZ-FZMZJTMJSA-N 381.410 -0.003 30 20 GBED N#CCSCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H](O)C1 1592680781 ZDBVRKWCTHMWEZ-SKDRFNHKSA-N 390.429 -0.857 30 20 GBED NC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779138040 NYAGALJAJPTTDI-HGMDMCOWSA-N 376.413 -0.206 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccnc(Cl)n3)C2)C1 1779505548 VUMOPNKXABIOKH-MRXNPFEDSA-N 378.772 -0.339 30 20 GBED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784115293 AKKFCRQQIMAKBR-AUUYWEPGSA-N 375.425 -0.047 30 20 GBED Cc1cn(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c(=O)nc1O 1785354393 KIDMXHCVDKKZFZ-SJKOYZFVSA-N 396.469 -0.594 30 20 GBED COC(=O)C1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)CC1 1791077766 WBEZZRFNQJYMIJ-AVGNSLFASA-N 378.381 -0.993 30 20 GBED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)N1CCOCC1 1797808410 NMLOLIZIJDNXJB-FDQIELQPSA-N 381.473 -0.561 30 20 GBED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](COC)NC(C)=O 1797969738 CCSSVIICSLZGLA-DFGXFYAUSA-N 379.457 -0.469 30 20 GBED COC(=O)[C@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)C1 1800774120 BZKLHIGFJVYMSR-XKSGDERDSA-N 392.408 -0.747 30 20 GBED Cc1nn[nH]c1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1807806706 WPAFOYTZHMLARK-SUMWQHHRSA-N 382.380 -0.084 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)CN2CCCC2=O)[C@@H]1c1cccnc1 1812876607 QLSANHHXAYNEAA-MGPUTAFESA-N 398.419 -0.202 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)NC)CCO2)C1 1831263574 DAAJCQYAANYLAV-KDOFPFPSSA-N 383.445 -0.830 30 20 GBED CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)CC#N)CC2)CC1)C(=O)O 1834737878 HIHKUANHYDWRLJ-HNNXBMFYSA-N 379.461 -0.466 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1834769069 YXRCWYGTPUYMHB-CQSZACIVSA-N 392.334 -0.965 30 20 GBED CC(C)O[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1837603251 GNZUUVAPQCSHEX-KBXCAEBGSA-N 382.413 -0.656 30 20 GBED CO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742076 PPEQJJZUJDQHHG-UGSOOPFHSA-N 376.413 -0.009 30 20 GBED CC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1839860529 ZMVXOTVJNATMLD-RDTXWAMCSA-N 398.460 -0.620 30 20 GBED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1840172029 MWPWKNFPWPXNHH-QGZVFWFLSA-N 393.400 -0.176 30 20 GBED CC(C)[C@@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNCP(=O)(O)O 1847829241 AAGCQXRQQFACQM-GMXVVIOVSA-N 379.419 -0.133 30 20 GBED COc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC#N)CC2)cc1[N+](=O)[O-] 66472864 WQNSCRLIIOQYJQ-UHFFFAOYSA-N 397.413 -0.451 30 20 GBED N#Cc1ccc(OC[C@H](O)CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 265370638 OLOHXPKLTXKIFE-BPQIPLTHSA-N 395.481 -0.615 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)C1=O 281579072 XYOFSAPNUDNGOO-CYBMUJFWSA-N 399.411 -0.145 30 20 GBED COc1ccc(CC(=O)NCC#CCO)cc1S(=O)(=O)N1CCOCC1 282993227 VAEWQILJIURVCI-UHFFFAOYSA-N 382.438 -0.630 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC2(C(=O)N(C)C)CCCC2)C1=O 287053585 QJOKPFLDXNQNQC-AWEZNQCLSA-N 378.473 -0.004 30 20 GBED Cc1nc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)ccc1C#N 291886022 JEMKZSHMFOWLPY-AWEZNQCLSA-N 384.483 -0.099 30 20 GBED CN([C@H]1CCNC1=O)S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N 349467444 SMZKTVFSHAQRDU-NSHDSACASA-N 380.492 -0.910 30 20 GBED N#Cc1cccc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](CO)C2)n1 349528577 ULJVMLHCFIZKCB-GFCCVEGCSA-N 388.471 -0.271 30 20 GBED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC1 410488702 HZEXYGRRVXZMFO-HUUCEWRRSA-N 381.477 -0.710 30 20 GBED C=CCc1cc(CNC(=O)C(=O)N(C)[C@H]2CNC[C@@H]2O)cc(OC)c1OC 419358838 KUTDPQINLZZEJA-GJZGRUSLSA-N 377.441 -0.160 30 20 GBED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2C)c1=O 502012174 DHEQBSJHFVKJBK-UHFFFAOYSA-N 385.449 -0.809 30 20 GBED CN1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)[C@@H](CN)C1 562961673 MTPCLRKLBGEAFR-HNNXBMFYSA-N 388.447 -0.553 30 20 GBED C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN(C)C 570738940 OJZZKSNOTZKNPD-STQMWFEESA-N 395.485 -0.592 30 20 GBED C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CCO1 572171799 LYLDHVVFTDAJJG-CYBMUJFWSA-N 383.412 -0.086 30 20 GBED COc1cc(NC(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)c(F)cc1C#N 599995672 XXJCWMJSPIMOKE-YPMHNXCESA-N 385.373 -0.427 30 20 GBED C=CC[C@@H]1CCCN(C(=O)C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)C1 662947241 LIGAFJRYUDGZHH-CQSZACIVSA-N 384.502 -0.753 30 20 GBED C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)nc1 728859795 GDZFEWIAPJWDCM-CQSZACIVSA-N 397.478 -0.662 30 20 GBED C#CCN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 730276084 GAVCIWSSBCNABE-ZDUSSCGKSA-N 394.453 -0.691 30 20 GBED N#C[C@@H](C(=O)CCNC(=O)Cc1ccccc1)C(=O)N1CCS(=O)(=O)CC1 732909808 GDLWCERLLSFSAF-HNNXBMFYSA-N 391.449 -0.299 30 20 GBED N#CCCNC(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 758093349 VTYYHYOYWXECCC-GFCCVEGCSA-N 389.817 -0.448 30 20 GBED COC(=O)CNC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767677817 BGEJDCVBKMSPKE-WDEREUQCSA-N 397.409 -0.554 30 20 GBED CCOc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OC 771892292 PHXPXQXNRBVIBU-UHFFFAOYSA-N 396.425 -0.196 30 20 GBED CCc1c(C(=O)NS(=O)(=O)CCCC#N)cnc2c1c(=O)n(C)c(=O)n2C 776118604 ROROEGZOWZSVHV-UHFFFAOYSA-N 393.425 -0.442 30 20 GBED N#Cc1ccc(NCCNC(=O)C(=O)NCCNc2ncccc2C#N)nc1 787779064 UDQAGJBIBXVBKS-UHFFFAOYSA-N 378.396 -0.024 30 20 GBED C#CCNC(=O)COC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797515070 LIKDUKVYFBPRFK-QGZVFWFLSA-N 380.422 -0.266 30 20 GBED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 804052099 WOJFWVLCKKOBRF-OLZOCXBDSA-N 389.460 -0.766 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCO[C@H](C#N)C1 820438230 LEFPKGHDMOBYHX-CMPLNLGQSA-N 391.413 -0.716 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1 846214737 WGPAFLSTNSXKPT-HNNXBMFYSA-N 398.398 -0.073 30 20 GBED COC(=O)COCCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 862953154 YGZBJYFYFLUTIX-UHFFFAOYSA-N 383.426 -0.189 30 20 GBED C#CCN1CCN(C(=O)CN(CCN2CCOCC2)[C@@H]2CCSC2)CC1 878873021 MOTZXUSPEVYMEC-GOSISDBHSA-N 380.558 -0.097 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C[C@@H]2O)nn1 963310660 UPZFSSXJAILKFL-JXFSHQFZSA-N 385.428 -0.697 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)Cn2nc(C)ccc2=O)C1 969393024 OLJUIOIIFMJNFQ-WCVJEAGWSA-N 390.440 -0.779 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 981455880 ABJPUYKLUACQGV-YJNKXOJESA-N 392.456 -0.080 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@H]2C1 986697916 XYBSGDUXQIXQRK-BARDWOONSA-N 390.440 -0.564 30 20 GBED N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cn2ccc(O)nc2=O)c1 996008949 VFJJKNSUZUUKDV-DYEKYZERSA-N 382.380 -0.289 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1O 1023919421 OPQNAYOZZAJKIA-SRMUXQRQSA-N 390.440 -0.214 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(c2nc(O)c3cnn(C)c3n2)C[C@H]1O 1041391662 JIJRSQVMMKKSIT-ZRJCITRHSA-N 388.428 -0.284 30 20 GBED CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2)CC1 1117191707 NNUCABYJEWNWKC-KRWDZBQOSA-N 383.452 -0.061 30 20 GBED C#Cc1cccc(CNC(=O)C(=O)N2CCN(C(=O)N3CCOCC3)CC2)c1 1118096892 DHQOEVBYJATDEY-UHFFFAOYSA-N 384.436 -0.120 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(C(=O)N3CCCCC3)CC2)nn1 1118181115 XEHZPSXNAPLSLI-UHFFFAOYSA-N 389.460 -0.170 30 20 GBED C#CCN1CCC(c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2CC=C)CC1 1262976105 ZKIPCDMENBAQSG-MRXNPFEDSA-N 397.483 -0.576 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCC[C@@H]1C(=O)Nc2ccccc21 1321806212 FTRQFLOVAIFSJQ-ZDUSSCGKSA-N 379.438 -0.054 30 20 GBED C[C@H](CS(C)(=O)=O)NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1322490031 BDUJRWRWDFAUEV-GFCCVEGCSA-N 393.469 -0.412 30 20 GBED C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 1322948071 ABQVVRRJBBPPND-BZUAXINKSA-N 398.529 -0.507 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@H]1COC(C)(C)O1 1323240476 YVPCSUBERYAPIM-OLZOCXBDSA-N 388.428 -0.347 30 20 GBED C[C@@H]1C[C@H](CCNC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCO1 1324578592 SDHIVUINKSKVJI-QVDVFPETSA-N 378.429 -0.050 30 20 GBED C[C@]1(C#N)CCCN(C(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 1325643615 GIXBDNCZJBEBIG-LJQANCHMSA-N 389.456 -0.568 30 20 GBED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@](O)(CC#N)C2)cc1 1328569626 WPYKWFFPNJZCSC-INIZCTEOSA-N 380.426 -0.200 30 20 GBED CN(C(=O)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)[C@H]1CCNC1=O 1332839298 BMUYAIYBPWXZSY-KRWDZBQOSA-N 383.452 -0.014 30 20 GBED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1cnn(CC(F)F)c1 1343049059 RXWNSXMHYQSVLB-SEYXRHQNSA-N 375.357 -0.047 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@]1(C)CN(c2cnc(-c3nn[nH]n3)cn2)CCO1 1573287150 LYVSZZSFDHVBHZ-SJKOYZFVSA-N 386.416 -0.594 30 20 GBED C=C(C)CN(CC)C(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H](C)OCc2cnn[nH]2)C1 1575047916 HFKHMFIGGWTLHK-BMFZPTHFSA-N 394.476 -0.704 30 20 GBED Cn1c(=O)[nH]c(N2CC[C@@H](Oc3ccc(-c4nn[nH]n4)cn3)C2)c(C#N)c1=O 1581746825 NPRKHXCNHJFSMA-SNVBAGLBSA-N 381.356 -0.822 30 20 GBED C#CCNC(=O)[C@H](C)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 1588353563 WWNKHWUDFQRCBB-SLEUVZQESA-N 382.428 -0.521 30 20 GBED O=C(CNCCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCC#Cc1ccccc1 1592873670 RQWMMMIMVNFEBQ-UHFFFAOYSA-N 392.423 -0.318 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[nH]n3)nn2)C1 1602724864 HMBSXSLGFRIUHJ-PXAZEXFGSA-N 386.416 -0.858 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H]3C[C@@H](C(=O)O)O[C@H]3CC[C@H]2C)C1=O 1609373493 COBKQBJYGKGDEQ-RHYQMDGZSA-N 379.369 -0.415 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)CNC(=O)C(C)(C)C)C1 1757172965 FCGGUZNSDFTPLY-FQLMCAECSA-N 381.473 -0.182 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCN1CCCCC1)CCO2 1783561125 FMCBNXZTWJGHJS-IBGZPJMESA-N 377.441 -0.220 30 20 GBED CC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1790846088 KEJMLEUMOQRSSZ-BCWUPHOBSA-N 393.488 -0.426 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC(CO)CC3)C[C@@H]21 1791072363 FXXHJICRIIGOSR-YOTSKQKMSA-N 392.452 -0.147 30 20 GBED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C(C)=C/OC)C2 1792490386 YWCLJIZAMUCNNM-VAXAZJRQSA-N 377.441 -0.015 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSCC(=O)OC)C2 1793340174 OILBNPIZCBUFCY-ZJOBFFGXSA-N 398.481 -0.480 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)n(C)n1 1794322255 CCBPDLQKEJAKCZ-NFFDBFGFSA-N 376.413 -0.633 30 20 GBED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H](N)C(N)=O)C(F)(F)F 1795637744 QAIBOYQURJCLKP-NOHGZBONSA-N 392.378 -0.713 30 20 GBED NC(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1800518291 YQWPFDWZOFETBQ-NBPXQOPSSA-N 376.413 -0.446 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCS(C)(=O)=O 1801528346 BBBKOZBKJQRVAP-AYDFFVQHSA-N 388.486 -0.398 30 20 GBED N#CCC(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1806280119 HKOJHMXPWFKBIN-HEHGZKQESA-N 384.396 -0.401 30 20 GBED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1831207941 BLTKTFQWRLVMSX-IBGZPJMESA-N 386.408 -0.334 30 20 GBED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1831213642 YGKQMVQCMGSFMF-NRFANRHFSA-N 399.447 -0.282 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1831397632 UNNOLDCKXBCTLL-DBVUQKKJSA-N 393.484 -0.377 30 20 GBED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)n(C)n1 1833442717 PMODJZFKACOWMS-KRWDZBQOSA-N 377.401 -0.588 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835999766 NRXPZIBNWLGFSD-RDTXWAMCSA-N 395.481 -0.377 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)=O)C2)C1 1837403045 HCQMWWGOPKXRHG-DNVCBOLYSA-N 397.472 -0.848 30 20 GBED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1840202149 DFZRWYSJCCKXBK-CQSZACIVSA-N 392.334 -0.965 30 20 GBED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)[C@@H]4C[C@H](O)CN4)C3)c2c1 1845066603 FDXQVPIAHGXQGH-BBRMVZONSA-N 394.435 -0.026 30 20 GBED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C[C@@H](C)O)C[C@@H]3C)CC2)o1 192810493 WYFHNZSQXNEBKN-LSDHHAIUSA-N 390.488 -0.110 30 20 GBED C#CCNC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 271354388 HBHYWRKJBNVZBU-UHFFFAOYSA-N 389.455 -0.277 30 20 GBED COC(=O)c1cn(CCNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)nn1 284296530 TXPZNCVCMBMKGH-GFCCVEGCSA-N 399.415 -0.353 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 330069440 HFSTXAMUVCSWOY-APHBMKBZSA-N 378.454 -0.234 30 20 GBED CN(c1cccnc1)S(=O)(=O)CCCS(=O)(=O)N1CC(O)(CC#N)C1 349458632 LXFJCACBGFBKAA-UHFFFAOYSA-N 388.471 -0.472 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 349472081 FQXJEWFVKPHOJF-GAURVVSWSA-N 377.488 -0.761 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N(C)[C@H]2CCOC2)c1C#N 349527358 VOHMTHUFTJAWDO-NSHDSACASA-N 391.475 -0.228 30 20 GBED COCCNC(=O)[C@H]1CC[C@H](C)N(S(=O)(=O)N(CCC#N)CCOC)C1 409570163 KBHGBJKKQFNQKS-GJZGRUSLSA-N 390.506 -0.044 30 20 GBED C=CCn1cc(CNC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)nn1 425568513 WCLSCHLGGJASSG-UHFFFAOYSA-N 375.433 -0.560 30 20 GBED Cc1ccc(C(=O)N2CCN(C[C@@H](C)O)CC2)cc1S(=O)(=O)NCC#N 444384337 RGLIIGFJFMKOSG-CQSZACIVSA-N 380.470 -0.065 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCN1CCCOCC1 446237367 JKIVALHYNSPWHB-UHFFFAOYSA-N 397.439 0.224 30 20 GBED COC(=O)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 476900815 UZYONQGOFGOEFO-CYBMUJFWSA-N 394.453 -0.458 30 20 GBED CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1cc(C)n(CCC#N)n1 505054636 MHSOOIZUXRZBHT-GFCCVEGCSA-N 382.446 -0.416 30 20 GBED CCn1c(N)c(C(=O)CN2CCN(c3cnccc3C#N)CC2)c(O)nc1=O 514665594 GISBOWUTVMYZDR-UHFFFAOYSA-N 383.412 -0.177 30 20 GBED CCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2C)c(=O)n1CC(N)=O 563604733 DOSPTVIJIDBMMP-UHFFFAOYSA-N 390.490 -0.206 30 20 GBED Cn1ccc(CCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 564071442 WZCKPEOBPMTUOK-KRWDZBQOSA-N 394.435 -0.132 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@]1(O)CCSC1 566488841 OOWBASDEVWYEPX-CYBMUJFWSA-N 391.496 -0.365 30 20 GBED COC(=O)c1cc(C#N)ccc1S(=O)(=O)NCCS(=O)(=O)NC(C)C 593538540 OZWXBZLQEREVSR-UHFFFAOYSA-N 389.455 -0.049 30 20 GBED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)cc1 608911634 NCWMJZSVJJLZHF-UHFFFAOYSA-N 384.461 -0.269 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)Cn2nnc3ccccc3c2=O)CC1 729257144 UFRASMBMMJXPFW-UHFFFAOYSA-N 382.424 -0.925 30 20 GBED COCCN1CC[C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 730787588 MWLYFEBBCZAERL-CYBMUJFWSA-N 380.470 -0.048 30 20 GBED COC(=O)[C@@H](CC(=O)O)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 737568311 VSUUOWRVENTWEF-LLVKDONJSA-N 383.382 -0.457 30 20 GBED COc1cccc2c1CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C2 754963539 CAJFDMCTUCOEDI-UHFFFAOYSA-N 392.437 -0.084 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2CS(N)(=O)=O)c1 769573959 BQCNTQHQEVRDQF-CQSZACIVSA-N 399.494 -0.119 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2cccc(-n3cccn3)c2)c(=O)n(C)c1=O 771890323 PGTHNPMTUMSLPU-UHFFFAOYSA-N 388.409 -0.418 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 783348299 XBKSKINVRYFBRB-UHFFFAOYSA-N 396.469 -0.158 30 20 GBED C#C[C@H](NC(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1)[C@H]1CCCO1 787197076 JJPYWWGXSWQOOZ-DLBZAZTESA-N 385.468 -0.253 30 20 GBED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 799285039 UUEDIRWIXASBAY-CQSZACIVSA-N 379.438 -0.044 30 20 GBED CCn1cc(-c2nn[nH]n2)c(=O)n(Cc2cccc(C(=O)OC)c2C#N)c1=O 825799087 CUMOVHITWLPCJE-UHFFFAOYSA-N 381.352 -0.083 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CC)CO)cc1 848942259 DORCWGLAAPJBDW-CYBMUJFWSA-N 385.467 -0.117 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)NCC1(C)OCCO1 848955442 APNNXCZYNNSHFC-NSHDSACASA-N 389.455 -0.082 30 20 GBED C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH]nc1C)[C@H]1CCCO1 848962973 FKAJOHVKSLBKTR-GXTWGEPZSA-N 390.487 -0.050 30 20 GBED CCOC(=O)CON=C(C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1)c1cc[nH]n1 855681258 QUFXGXQRKJUHQM-NEPJUHHUSA-N 377.401 -0.179 30 20 GBED CCOC(=O)N1CCN(S(=O)(=O)NCCNc2ncccc2C#N)CC1 919941858 WZKWMMONCKNHMW-UHFFFAOYSA-N 382.446 -0.026 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1OC 946819079 XJBUEKSBUDRTOA-QIJZBDPFSA-N 375.425 -0.068 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCO[C@@H]2CN(C(=O)CN3CCOCC3)C[C@@H]21 960979286 WYHRYMJBKWLXIG-LTIDMASMSA-N 379.457 -0.652 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2ncc3cccnc32)C[C@@H]1O 970701788 CTESWLZDBUIILH-WCVJEAGWSA-N 385.424 -0.290 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cn3c(O)nnc3O)[C@@H]2C1 1022319048 ZARQQHKGCOLCNH-LOWDOPEQSA-N 377.401 -0.660 30 20 GBED C=C(Cl)CN1CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094635103 OKRHNJRTYHZCCJ-RUZUBIRVSA-N 389.905 -0.037 30 20 GBED C=CCc1cc(CNC(=O)C(=O)NCCNS(C)(=O)=O)cc(OC)c1OC 1117155628 ZGDQFMGPGQYCSA-UHFFFAOYSA-N 399.469 -0.286 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCCCC)C1 1117634289 PSNWHTZCFNIDFA-CQSZACIVSA-N 387.502 -0.142 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1 1118304415 HMAKJBUSACZPIA-UHFFFAOYSA-N 384.358 -0.239 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)N(C)Cc2cnn(C)c2)C[C@H]1O 1196276893 ZGQJUOCCLLEVCL-VQHPVUNQSA-N 391.472 -0.869 30 20 GBED Cc1ccc([C@@H](CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)N2CCOCC2)o1 1256923072 HIJHMEAONWDFGX-LSDHHAIUSA-N 376.413 -0.172 30 20 GBED C#CCSCCNC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 1256944222 OUKYUHUVCLZGEN-UHFFFAOYSA-N 375.498 -0.068 30 20 GBED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC(N2CCNC2=O)CC1 1321743187 YLVPEXCUZJFCFH-UHFFFAOYSA-N 385.428 -0.502 30 20 GBED Cn1c(N)c(C(=O)COC(=O)C2(c3cccc(C#N)c3)CC2)c(=O)n(C)c1=O 1322768207 LOCVXVIEQXDOSV-UHFFFAOYSA-N 382.376 -0.004 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CC1 1340086926 MCZZSHFPLYQLLA-UHFFFAOYSA-N 386.408 -0.523 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NC[C@H]2Cc3ccccc3CN2)CC1 1350070474 ZCUCHSVWYCYJPN-GOSISDBHSA-N 382.464 -0.195 30 20 GBED COc1ccc(N2C[C@@H](NC(=O)Cn3cc(C#N)c(O)nc3=O)CC2=O)cc1 1469968207 JEINCKUSBNUGKR-LBPRGKRZSA-N 383.364 -0.249 30 20 GBED C=CCn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1C1(O)CCC1 1520210446 WLJSXDXHVONCHA-UHFFFAOYSA-N 390.488 -0.184 30 20 GBED CC(=O)NCCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H](C)C(=O)O 1573349600 TVPXWHLBBPJHIM-GFCCVEGCSA-N 395.437 -0.089 30 20 GBED N#Cc1ccc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)[nH]1 1581867345 DSHJWBCUHAGISC-LLVKDONJSA-N 380.372 -0.508 30 20 GBED N#Cc1ccc(N2CC[C@](O)(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nc1 1581871212 MAHAAAQXHBHAFT-KRWDZBQOSA-N 379.384 -0.167 30 20 GBED C#C[C@H]1COCCN1C(=O)C(=O)N1CCO[C@@H](c2ccc(-c3nn[nH]n3)cc2)C1 1588330404 BHCXROYXEJXBEH-JKSUJKDBSA-N 396.407 -0.373 30 20 GBED C#CCOCCC(=O)NC[C@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1 1588361095 DOCIIRFYKKDZBS-QMMMGPOBSA-N 385.837 -0.095 30 20 GBED C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588500123 QZWSREOWMSJHGW-GTNSWQLSSA-N 391.432 -0.587 30 20 GBED C[C@@H](NC(=O)C#CC1CC1)[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1589911775 FAEPSZLHSASTMT-IAQYHMDHSA-N 383.412 -0.046 30 20 GBED CCCN(CC(=O)O)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 1595859637 NNVPBGJNWFWMPM-UHFFFAOYSA-N 375.428 -0.026 30 20 GBED C=CCOCC(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCOCC1 1602868243 KBXYMZSGNCBPHJ-UHFFFAOYSA-N 389.416 -0.207 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CO)CC1OCCO1 1643834666 JPSUAWRTRUNGSW-LLVKDONJSA-N 383.426 -0.645 30 20 GBED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C=CCN1)CCO2 1779106234 YSMORIAMEVYFKM-SFVBOFDGSA-N 392.456 -0.127 30 20 GBED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(N)=O)C1 1781765040 CDEOZIDDCOPDFZ-SPYBWZPUSA-N 379.457 -0.196 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1783566239 RYTVUUYKQVODKV-OXQOHEQNSA-N 386.404 -0.492 30 20 GBED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1783681948 RBXZKQPPSBMXAJ-XUXIUFHCSA-N 379.461 -0.891 30 20 GBED Cn1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1=O 1784733701 DULADUZGUFLCDM-QEJZJMRPSA-N 387.392 -0.933 30 20 GBED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]3C2)C1 1790635136 XHJRLIKUDCZZTB-QEJZJMRPSA-N 393.440 -0.525 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 1791077775 JITTTXSLOZUWCD-KKUMJFAQSA-N 391.424 -0.933 30 20 GBED Cn1ccc(=O)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078957 NUIIYJWDYMOBQF-NOLJZWGESA-N 387.392 -0.933 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(F)(F)C(=O)O)C2 1793342250 BYFKZECXSRKCLD-FMSGJZPZSA-N 388.367 -0.276 30 20 GBED O=C(NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1)C(O)O 1802921414 ZTKCMWQCMPWUAR-IUSCMOLSSA-N 389.456 -0.130 30 20 GBED COC(=O)CSCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1831443260 UJCGQRQROMYARB-KRWDZBQOSA-N 399.469 -0.347 30 20 GBED CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cn1 1833429902 INVTVWVTZUZBQF-SFHVURJKSA-N 389.412 -0.141 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)CC1 1835340567 AJDAYAFZKMDJEN-IBGZPJMESA-N 386.408 -0.306 30 20 GBED COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)CC1 1835346788 SJEKSMBEJQMBNQ-GOSISDBHSA-N 391.424 -0.300 30 20 GBED Cc1noc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)n1 1835354051 LLDOMFPUUVMUEQ-KRWDZBQOSA-N 377.401 -0.319 30 20 GBED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4nccn4)C3)C2)CCC1 1840815147 ZCJSGCPYFGZYPP-GOSISDBHSA-N 388.428 -0.572 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1840844814 NGIOKDJIMAFVRQ-BEFAXECRSA-N 377.441 -0.618 30 20 GBED CN(CC(=O)N1CCCC12CN(C(=O)Cc1ccc(C#N)cc1)C2)C(=O)C(=O)O 1845808572 IGCHTJHSGNEVIR-UHFFFAOYSA-N 398.419 -0.153 30 20 GBED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2 1846195588 IPAOAMYHGIPNOV-UHFFFAOYSA-N 382.376 -0.040 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)cc1 264617090 AXNHOOPDYCCVRQ-CYBMUJFWSA-N 399.494 -0.261 30 20 GBED Cc1nc(S(=O)(=O)N2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)cn1C 268875293 IPKRTQBGYDJUTP-QGZVFWFLSA-N 394.501 -0.157 30 20 GBED N#Cc1cccc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 283926170 JFCRAVSUZXEJON-UHFFFAOYSA-N 399.451 -0.823 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)C1=O 287067852 NXITYZALOXRMBR-KKUMJFAQSA-N 378.473 -0.005 30 20 GBED CCN(CCOCCO)C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 297771701 IMPIHICSGVGHPN-UHFFFAOYSA-N 375.429 -0.541 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)cc1 299617198 ZQOILRWSHHIMBS-CQSZACIVSA-N 390.421 -0.102 30 20 GBED CS(=O)(=O)N1CCC[C@H](/N=C(/O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 328847549 YBTSVAYDKJOLAL-KBPBESRZSA-N 388.490 -0.352 30 20 GBED C[C@](O)(C/N=C(/O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)CN1CCOCC1 330109659 PLYFFAMWPRDOEQ-BRDQJBEXSA-N 377.441 -0.167 30 20 GBED CS(=O)(=O)NCC[C@@H]1CCCCN1/C(O)=N/CC(=O)N1CCOCC1 330676458 KIDWLSCHPOOXES-ZDUSSCGKSA-N 376.479 -0.447 30 20 GBED CCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 331181863 RZJSWOXEHQCTLB-UHFFFAOYSA-N 382.490 -0.203 30 20 GBED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(=O)N(C)C[C@@H]1C 349481096 ZDXOISIFAXGSGL-STQMWFEESA-N 394.519 -0.664 30 20 GBED CC(C)[C@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCn2cncc2C1 349501789 NIXWWFPLTNNXTK-AWEZNQCLSA-N 389.503 -0.114 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCN(C4CCC4)CC3)CC2)c1C#N 410571332 JYXSCUCPRCSMNW-UHFFFAOYSA-N 399.499 -0.055 30 20 GBED N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)O)C2)c1 424439911 PDYDKURUQYEEIQ-LLVKDONJSA-N 385.785 -0.140 30 20 GBED CN1CCN(C(=O)Cn2cc(NS(=O)(=O)c3cccnc3C#N)cn2)CC1 428426254 XLWHGAHZGRXRIO-UHFFFAOYSA-N 389.441 -0.275 30 20 GBED C[C@@H]1CC(=O)C[C@H](C(=O)N2CCO[C@H](C#N)C2)[C@H]1C(=O)N1CCO[C@H](C#N)C1 468309356 CDFDDMRHSGWHAD-MNLARUNXSA-N 388.424 -0.280 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N2CC(=O)NC[C@@H]2C(=O)OC)cc1 468637826 JDJSGONKFPADOA-CYBMUJFWSA-N 381.410 -0.736 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC(O)(CC#N)C2)cc1 569624265 VZPBCFGOCXYDFT-GFCCVEGCSA-N 398.466 -0.132 30 20 GBED C[C@]1(C(N)=O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1 569709032 YKIGNISGEIZTEW-AWEZNQCLSA-N 386.455 -0.626 30 20 GBED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(N)=O 578956583 OCLUNDGYNRRLMK-JTQLQIEISA-N 384.417 -0.022 30 20 GBED CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCn2cnc(C#N)n2)cc1 580734934 NJRCJKOWOORIJW-UHFFFAOYSA-N 376.398 -0.553 30 20 GBED N#C[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 594305842 OKAPROVRXOKNSS-NFAWXSAZSA-N 383.401 -0.299 30 20 GBED CN(C)S(=O)(=O)NCCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 596614793 YOZCVASWGQGDTF-UHFFFAOYSA-N 394.501 -0.219 30 20 GBED N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)C2)nc1 597685380 RDFIKLLVBUAAHB-KGLIPLIRSA-N 379.442 -0.152 30 20 GBED COc1cc(NC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)c(F)cc1C#N 599972266 JAHKRTMCNJEPRJ-ZDUSSCGKSA-N 394.403 -0.204 30 20 GBED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1 606062093 ZOFCXOUMSPDESE-ZDUSSCGKSA-N 375.385 -0.355 30 20 GBED C=CCNC(=O)NC(=O)CN1CCN(c2cc(N3CCOCC3)ncn2)CC1 610004721 AUDFCXKZRDSNAI-UHFFFAOYSA-N 389.460 -0.553 30 20 GBED COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O 619711610 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-0.038 30 20 GBED Cc1cc(C#N)nc(N2C[C@H](O)[C@H](NC(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)C2)n1 1091197671 KXZXVCUTUDKPDU-KBXIAJHMSA-N 388.428 -0.865 30 20 GBED C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1118682943 PSKASVLHDZLWQQ-QVDVFPETSA-N 378.429 -0.362 30 20 GBED C=CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@@H]2C1 1188323226 RKEAKMDIVJCDOA-QKPAOTATSA-N 393.488 -0.750 30 20 GBED COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2cncc(C#N)c2)CC1=O 1193730958 XNDWFTUEJFDRFO-AWEZNQCLSA-N 381.458 -0.589 30 20 GBED COC(=O)C1(C#N)CCN(C(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CC1 1297803939 ZFKQCQGYIMDFLY-UHFFFAOYSA-N 397.457 -0.298 30 20 GBED CN(C)S(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](C#N)C1 1298102202 TYJKKYMPFSUMSK-GFCCVEGCSA-N 379.446 -0.107 30 20 GBED CN(C)[C@@]1(CNC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCSC1 1323184662 KNBHLXMTYNGWDI-LKBMAGLMSA-N 395.485 -0.818 30 20 GBED C=C[C@H](COC)NC(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1323820756 WXSHQSGTFFWGFI-YESZJQIVSA-N 394.516 -0.048 30 20 GBED CC(C)(C)N1CCN(C(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1324576998 MGZNKKIDSZVFGT-CCEZHUSRSA-N 377.445 -0.428 30 20 GBED COCCCNC(=O)C1CCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1326530562 JBQSCHBPNLESPU-SFHVURJKSA-N 380.445 -0.745 30 20 GBED N#CC1CCN(C(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 1326606759 RNNVEVQBZBEWOT-CQSZACIVSA-N 386.474 -0.647 30 20 GBED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 1329716207 PCQKAVSLSHSEAO-UKRRQHHQSA-N 396.469 -0.427 30 20 GBED O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCN1CCN(c2ncccn2)CC1 1330265675 NAEJYKWNZCJXBA-ZCXUNETKSA-N 399.455 -0.369 30 20 GBED CN(C)S(=O)(=O)N1CCN(c2nnnn2CC#Cc2ccccc2)CC1 1334823897 XWYLHFOAYOHTAZ-UHFFFAOYSA-N 375.458 -0.347 30 20 GBED N#CCSCC(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1337406348 AWIOFEJVXCENDD-LBPRGKRZSA-N 375.472 -0.882 30 20 GBED CN1CCN(C2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)CC1 1339408856 JVJYSQIRECFOSS-UHFFFAOYSA-N 377.470 -0.705 30 20 GBED COCCn1nc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1=O 1340244305 CFXSRQSWYJHAMO-ZDUSSCGKSA-N 383.412 -0.098 30 20 GBED C=CCOCC(=O)N[C@H]1CCN(c2cc(-c3nn[nH]n3)nc(CC)n2)C[C@H]1O 1573342804 DWRKGMXOWAFJQX-WCQYABFASA-N 388.432 -0.523 30 20 GBED C[C@](C#N)(CC(=O)O)C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1573359962 OASRQQCOOLJZCT-GFCCVEGCSA-N 380.448 -0.892 30 20 GBED C#Cc1cncc(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3cnn[nH]3)nc2)c1 1575032372 AVDTVZHEBUJUOO-OAHLLOKOSA-N 391.391 -0.236 30 20 GBED C=CCn1cc(C(=O)N(C)C[C@H](C)NC(=O)[C@H](C)OCc2cnn[nH]2)nn1 1575111543 GTDISYFNSWQPGZ-RYUDHWBXSA-N 376.421 -0.236 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)CC(=O)NCc2cnn[nH]2)C1 1575112035 MRGZZMMAIRLQEX-YUELXQCFSA-N 390.444 -0.491 30 20 GBED Cc1cc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ncc1-c1nn[nH]n1 1580981568 JMFQJEIZJABPML-ZUZCIYMTSA-N 388.413 -0.028 30 20 GBED N#CCSCC(=O)NCC1[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]12 1581858734 SZJSEWCOFQRVQV-RYUDHWBXSA-N 386.441 -0.114 30 20 GBED N#Cc1nc(=NC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCO2)cc[nH]1 1581884804 BMDRYGGGIFCNQF-NSHDSACASA-N 380.372 -0.769 30 20 GBED C#CCN1CCC[C@H]1C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[nH]n2)nc1 1588352726 ULOOMBXBYXEBGQ-ZBFHGGJFSA-N 384.444 -0.410 30 20 GBED C#CCO[C@@H](C)C(=O)NCC1(Nc2cnc(-c3nn[nH]n3)cn2)CCOCC1 1588358336 WFKOLLIVCDOAFO-LBPRGKRZSA-N 386.416 -0.228 30 20 GBED C#CCO[C@@H](C)C(=O)N1C[C@H]2[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C1 1588358866 VWIMRUAGQLOKNN-DOERSZECSA-N 383.412 -0.333 30 20 GBED Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 1600230591 RTPZPANVARRLTQ-LLVKDONJSA-N 376.387 -0.122 30 20 GBED N#CCN(CC(=O)O)C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 1601070121 UWTYHCYDLVTPFE-UHFFFAOYSA-N 383.382 -0.437 30 20 GBED N#C[C@]1(F)CCN(C(=O)C(=O)N2CCN(c3cnccc3-c3nn[nH]n3)CC2)C1 1606343756 SCTGTVSXYOMHCE-QGZVFWFLSA-N 399.390 -0.626 30 20 GBED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(Br)cc1C(=O)O 1608187789 FCQNMJNXFUCSSN-UHFFFAOYSA-N 383.158 -0.158 30 20 GBED CN(C)[C@H]1CCN(c2ccc(NC(=O)Cn3cc(C#N)c(O)nc3=O)nc2)C1 1636651681 MZJPITHDODXYOS-AWEZNQCLSA-N 383.412 -0.005 30 20 GBED CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC#N)C2 1779199952 HYYBBGNIHOFHEB-MZMPZRCHSA-N 396.444 -0.131 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4nccn34)C2)C1 1782362617 YTZVBWGXRFKWRC-LJQANCHMSA-N 382.376 -0.134 30 20 GBED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cncn3)C[C@@H]21 1784503337 XEOBVBWIWTYIOC-VGWMRTNUSA-N 377.445 -0.151 30 20 GBED NC(=O)c1ccc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1784933177 ZMYDMOXBOPUWEO-IBGZPJMESA-N 385.376 -0.683 30 20 GBED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOCC3)[C@H]2C1 1786745865 GWDHXDOXZWEERV-ULQDDVLXSA-N 378.473 -0.008 30 20 GBED O=C(O)C#CC(=O)NC1(c2ccc(NC(=O)C[C@H]3NC(=O)NC3=O)cc2)CCC1 1786763774 JDYNNXPXMRPZTL-CYBMUJFWSA-N 398.375 -0.193 30 20 GBED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21)n1cnnn1 1791689679 KPVUPODXUSYYJM-AJNGGQMLSA-N 387.444 -0.092 30 20 GBED CC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1792863561 QUALGMBIEWVAMH-ULWRULGKSA-N 383.445 -0.124 30 20 GBED CN(C)c1cncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c1 1794296715 MEXWXXWPIOLXHA-ZSBFGKGUSA-N 386.408 -0.561 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)C(O)O)[C@@H]1c1cccnc1 1802920246 LVUODQXQQMOBOS-KKUMJFAQSA-N 377.441 -0.029 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1 1831392012 HQDMUNYZEKBEOR-KSSFIOAISA-N 376.413 -0.482 30 20 GBED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1839809949 VZBKHAMWXMPZON-GQIGUUNPSA-N 389.452 -0.523 30 20 GBED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccs3)C2)C1 1840041444 MUMBQWOROKHSHE-QGZVFWFLSA-N 378.406 -0.094 30 20 GBED C[C@@H](NC=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814940 NGOHRPQQLRRFIX-RDTXWAMCSA-N 378.429 -0.729 30 20 GBED N#CC1(C(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)CCC1 1846974343 IRQZNZZTVOTRHV-UHFFFAOYSA-N 382.384 -0.677 30 20 GBED C/N=C(/NC[C@@H]1CN(C)CCN1C)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 261932957 BUICZXXKQMNBPK-QZTJIDSGSA-N 393.580 -0.564 30 20 GBED CCN1CCC[C@@H]1C/N=C(\NCC(=O)N(C)C)N1CCN2C(=O)CC[C@H]2C1 262316319 QSCPEBOAAZSKQT-CVEARBPZSA-N 378.521 -0.189 30 20 GBED C#CCCN1CCN(C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 279822420 PNEJULYDWOAERB-GOSISDBHSA-N 376.457 -0.231 30 20 GBED CNS(=O)(=O)c1cccc2c1CCN(C(=O)NCCn1cnc(C#N)n1)C2 287071898 VSDCRGAYHRITEU-UHFFFAOYSA-N 389.441 -0.174 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)C1=O 297931574 SFVSHPJTIOJALM-GJZGRUSLSA-N 380.489 -0.465 30 20 GBED C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N)CC[S@@](=O)C1 349452745 DNHUPBSYOWEYKF-GIYNXVAASA-N 399.560 -0.420 30 20 GBED CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CCn2cnnc2[C@H]1C 349466304 ZJKTZMNJHJTQIJ-GFCCVEGCSA-N 390.491 -0.450 30 20 GBED N#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)N1CC[C@](F)(C#N)C1 349494572 LBPBBWNWDJFNRW-ZDUSSCGKSA-N 378.451 -0.038 30 20 GBED CC[C@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N 349517572 FSMUGOYPFHMAEV-NEPJUHHUSA-N 380.492 -0.910 30 20 GBED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 374593488 MXCQLPBCUFFEET-KGLIPLIRSA-N 394.519 -0.408 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3nn[nH]n3)C2)cc1 377597558 BVZSXFYOLIOFLB-ZDUSSCGKSA-N 376.398 -0.675 30 20 GBED CCC[C@H]1CNCCN1C(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 423721113 ONSQXOCFEOIMMV-HNNXBMFYSA-N 387.488 -0.151 30 20 GBED CC(C)NS(=O)(=O)NCCNS(=O)(=O)Cc1cc(C#N)ccc1F 428389595 QXKNGFGFQIFELG-UHFFFAOYSA-N 378.451 -0.051 30 20 GBED CN(CC(=O)NCc1nnnn1CC1CC1)S(=O)(=O)c1ccc(C#N)cc1 471676604 CMEZQIYFVNABOR-UHFFFAOYSA-N 389.441 -0.108 30 20 GBED CN(CCC#N)S(=O)(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 503111210 WHRWLIANHIFDFJ-GFCCVEGCSA-N 381.418 -0.066 30 20 GBED Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC(F)(C#N)CC3)cnc2n(C)c1=O 506598930 VJWUKXQIAUCLHA-UHFFFAOYSA-N 388.359 -0.575 30 20 GBED Cn1cc(S(=O)(=O)N2CCN(c3ccsc3C#N)CC2)c(=O)n(C)c1=O 594803283 CRBGKTNVYUSBCZ-UHFFFAOYSA-N 395.466 -0.472 30 20 GBED CC(C)[C@@H](CNC(=O)C(=O)N1CCN(CCC#N)CC1)N1CCN(C)CC1 602230420 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C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)CN3CC(=O)NC3=O)C[C@@H]2C1 986507268 PBWUXWDQGFKYNE-BARDWOONSA-N 390.440 -0.564 30 20 GBED O=C(Cn1[nH]cc2c(=O)ncnc1-2)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1 999334700 LXXMMAZIKRNFIN-SNPRPXQTSA-N 380.408 -0.267 30 20 GBED C#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2nnc(O)nc2O)cn1 1004571301 MCYPTWGMCSNBMA-UPJWGTAASA-N 380.364 -0.165 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1043253313 UCEKPQACSCZAKP-DLTWYDFYSA-N 393.484 -0.038 30 20 GBED C#CCOCCC(=O)N1CCN(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1073573052 VPSMOQONRLOMEM-GJNTUIEKSA-N 387.480 -0.195 30 20 GBED CCS(=O)(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nn1 1093005847 YJPLBWKHUQCIFZ-MCIONIFRSA-N 378.458 -0.144 30 20 GBED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CNC(=O)c2ccccc21 1109414611 BJTNQJJLBHOBKC-VZEFYGNVSA-N 381.436 -0.125 30 20 GBED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1[nH]c(O)nc1C 1109430513 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Cn1c(=O)n(C)c2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CC#N)ccc21 1795081547 IVTLCNSHBSAHFR-ZSBFGKGUSA-N 397.435 -0.006 30 20 GBED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OCC 1797588838 YLRMMZDKILQMEG-JHZZJYKESA-N 383.445 -0.147 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnn1 1798053899 QTAGQOGEQMGNBR-IDZYNVOGSA-N 385.424 -0.462 30 20 GBED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2 1798476901 QDDCKSRPMZQSJP-LXTVHRRPSA-N 394.380 -0.793 30 20 GBED CN(C)c1ccncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800773093 DRXTWULSTGSMOO-IVWMJMPLSA-N 386.408 -0.561 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1S)C2 1800774860 PXGNNSZEUIZSEE-QHBPRCKVSA-N 375.406 -0.339 30 20 GBED Cn1cnc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)n1 1812876122 BZZZNBCLCJVHFO-CZUORRHYSA-N 382.380 -0.382 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1834756286 VDFXUWDJWVSSJV-LJQANCHMSA-N 398.423 -0.199 30 20 GBED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1F)CCO2 1838856842 DXKFEANQCAZPDS-LJQANCHMSA-N 390.367 -0.016 30 20 GBED C[C@H]1CCCCN1C(=O)CN1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 29529968 KIQPYPRZFWUMBZ-AWEZNQCLSA-N 388.472 -0.521 30 20 GBED CS(=O)(=O)c1cccnc1C/N=C(/N)N1CCN(c2ncccn2)CC1 262765515 HDMQQGJSGZMCGF-UHFFFAOYSA-N 375.458 -0.088 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nnc(S)n1C 268873008 YCGIDXJUPCBOOV-SECBINFHSA-N 380.455 -0.041 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NC[C@@H]1CCCS(=O)(=O)C1)c1cc[nH]n1 291900719 PWQFLXHNOULUFZ-FXONDUCNSA-N 386.430 -0.366 30 20 GBED Cn1c(N)c(C(=O)CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(=O)n(C)c1=O 292383005 ZGAFATCDHPLCAS-GFCCVEGCSA-N 384.396 -0.731 30 20 GBED C[C@H](C(=O)N1CCN(C/C(O)=N/[C@@H]2CCS(=O)(=O)C2)CC1)n1cccn1 329572226 JBPPSRRXELSMGZ-ZIAGYGMSSA-N 383.474 -0.268 30 20 GBED O=S(=O)(CC/N=C(/O)c1cn([C@@H]2CCOC2)nn1)N1CCSCC1 330056280 VPZWBIGKCCVLHY-LLVKDONJSA-N 375.476 -0.077 30 20 GBED CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 349458505 FEIVKDMFXICASE-BTFPBAQTSA-N 389.499 -0.187 30 20 GBED CN1CN(S(=O)(=O)CCCS(=O)(=O)N(CC#N)C2CCCC2)CC1=O 349467415 SDEGXIXDWCPRHC-UHFFFAOYSA-N 392.503 -0.464 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 367141882 WJVUZIOWFRTLSE-ZDUSSCGKSA-N 382.508 -0.505 30 20 GBED CCS(=O)(=O)N(C)C1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1 410134473 IKEAYBPSNQGWSQ-UHFFFAOYSA-N 396.535 -0.161 30 20 GBED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)O)C(C)C)C1=O 417444489 CWNRDTCQRYGBNK-CHWSQXEVSA-N 390.462 -0.607 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(O)CCN(C)CC1 482519000 LMXVXYVHJPDADN-ZDUSSCGKSA-N 380.470 -0.202 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCCCCN2CCN(CC)CC2)C1=O 501383073 HRAZIVJRPFNGJM-UHFFFAOYSA-N 379.461 -0.503 30 20 GBED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)cc1 547963064 YQKPLFRVWMYYEC-CQSZACIVSA-N 397.456 -0.188 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CC1 553689688 ZXSMZBQRCMJXJX-MRXNPFEDSA-N 391.516 -0.434 30 20 GBED CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CNc1ccc(C#N)cn1 591237769 WMAVXWGOWLXZHJ-ZDUSSCGKSA-N 394.453 0.332 30 20 GBED C=CCN(C(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21)[C@H]1CCS(=O)(=O)C1 608584036 FMVNGKKIUWTINE-LBPRGKRZSA-N 394.453 -0.760 30 20 GBED C#CCNC(=O)COC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727221447 QOKVCLPPWYLGLF-UHFFFAOYSA-N 382.174 -0.815 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NC2CC(NS(C)(=O)=O)C2)c1 801464633 FHABZIFBRABTDS-UHFFFAOYSA-N 385.467 -0.592 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1)[C@@H]1CCCO1 809308034 IVQSRTBYTPTDPL-KBPBESRZSA-N 391.428 -0.843 30 20 GBED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250693 WHQZFQWWYAPTKK-UHFFFAOYSA-N 392.391 -0.514 30 20 GBED C=CC[C@H](CO)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 823888384 KYJBPXSPMJSUHR-NEPJUHHUSA-N 394.457 -0.166 30 20 GBED C=C[C@@H](O)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 829325657 IMLAKUAQYPLWFC-CYBMUJFWSA-N 389.474 -0.373 30 20 GBED CC#CC[C@@H](CO)NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 844118711 RTRQYLLGGOLCCI-ZDUSSCGKSA-N 380.422 -0.018 30 20 GBED N#Cc1cc(F)ccc1N1CCN(C(=O)C(=O)N2CCn3cnnc3C2)CC1 867453127 JZGDNLNPWYPQNP-UHFFFAOYSA-N 383.387 -0.020 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H]2NC(=O)c3ccccc32)CC1 913788609 JQUNNALOADPTCO-OAHLLOKOSA-N 376.438 -0.527 30 20 GBED C#CCN1CCC[C@H](NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 923597942 RSWBPXMDRCPDDV-KBPBESRZSA-N 380.470 -0.634 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 950629930 UOTGRUVEKVRESV-VQHPVUNQSA-N 392.500 -0.295 30 20 GBED N#Cc1ccc(N2C[C@H](O)[C@H](NC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C2)cn1 1044661357 OVEGXDJPYINIDP-NKGKWGDASA-N 382.424 -0.079 30 20 GBED CCO[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1CN=c1cc[nH]c(C#N)n1 1047972957 GKFBDSYYVOOROJ-CFAJVAMVSA-N 375.429 -0.151 30 20 GBED Cn1c(CN2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CSCC#N)cc(=O)n(C)c1=O 1108956367 PKWJYWQFALYVQZ-XBFCOCLRSA-N 377.470 -0.438 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)c1cscn1 1109939304 HPFYTWISKGBMPT-DYEKYZERSA-N 377.470 -0.103 30 20 GBED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1117533465 BREFFPVJJHRANB-CJNGLKHVSA-N 397.435 -0.536 30 20 GBED CN(CCN1C(=O)c2ccccc2C1=O)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1118187945 SSQVFDKPWPOLIO-LJQANCHMSA-N 384.392 -0.382 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(C(=O)OC)CC2)c1=O 1321334428 LQSGCVJXHZWGLV-UHFFFAOYSA-N 379.417 -0.725 30 20 GBED CCS(=O)(=O)N1CCC(CNC(=O)C(=O)N2CC[C@](O)(CC#N)C2)CC1 1329348463 DRCGGKGQDGVOGP-MRXNPFEDSA-N 386.474 -0.959 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1c(O)nnc(CC)c1CC 1347095628 SIOQOHAUYRFUKQ-UHFFFAOYSA-N 384.458 -0.360 30 20 GBED C#CCNC(=O)CNC[C@@H]1CN(C(=O)c2ccc(-c3cnn[nH]3)nc2)C[C@H]1C 1575004393 FOBBNSURLFVYFO-UKRRQHHQSA-N 381.440 -0.086 30 20 GBED C#CCNC(=O)CC(=O)N1CC[C@@H](N(CC)C(=O)[C@@H](C)OCc2cnn[nH]2)C1 1575004817 MOSNHTXAVPKMPJ-UKRRQHHQSA-N 390.444 -0.701 30 20 GBED C=C[C@H](CC)CC(=O)N[C@]1(CO)CCCN(CC(=O)NCc2cnn[nH]2)C1 1575071922 CMVGNXGOSQRTJK-RDTXWAMCSA-N 378.477 -0.034 30 20 GBED C#CCNC(=O)[C@@H](C)NC[C@](C)(NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 1588353339 OJBVENBPDIFWTJ-ZMZPIMSZSA-N 384.444 -0.179 30 20 GBED C=CC[C@@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588546130 YCZTZFQUGOEYLY-JQWIXIFHSA-N 380.430 -0.413 30 20 GBED COC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019754 DWLXWTGCDMIRIB-BAOGCXAUSA-N 395.460 -0.356 30 20 GBED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)c1 1780599732 GMLRRLPPJGJVAL-HXUWFJFHSA-N 396.451 -0.158 30 20 GBED CC(=O)O[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)C(C)C 1783564352 JGTNLJSKYXHKAV-AEFFLSMTSA-N 380.397 -0.508 30 20 GBED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]2C1)N1CCN(C)CC1 1791263766 MUQLNUQGHYYJFN-QEOTZNIISA-N 398.573 -0.080 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cnccn3)[C@H]2C1 1791660627 AXHZEDTXPCNENB-BPUTZDHNSA-N 386.408 -0.523 30 20 GBED CC(=O)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)ON=C(C)C 1799397627 SZAHSCHRRLCKAY-JJAZEVLHSA-N 382.461 -0.097 30 20 GBED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)c(F)c1 1799550680 PZTNAUGVZUWKNN-DPIQGUFMSA-N 376.340 -0.178 30 20 GBED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CSCC(=O)O)c1 1801021209 WJZVFOWEWPQBKA-DRXBFXEBSA-N 392.437 -0.093 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1831402545 KAICLNDWPIBAST-VYWUCYSYSA-N 394.424 -0.488 30 20 GBED Cn1ncnc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1833848096 WKBGQUFCBDNOLG-GOSISDBHSA-N 388.428 -0.421 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnsn4)C3)C2)CC1 1835341333 XKTZLNSJQIQPHD-INIZCTEOSA-N 377.426 -0.088 30 20 GBED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)NCC)CCO2 1837385243 QDGCZXRNCOKEEJ-KBXCAEBGSA-N 382.461 -0.274 30 20 GBED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838642726 IPBCQHKEGJFPHX-ZBEGNZNMSA-N 382.442 -0.842 30 20 GBED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1838808507 APLUNUWWCNARKA-GOSISDBHSA-N 377.397 -0.350 30 20 GBED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC=O)CCO2)C1 1839165971 BHGHFCKFSPXUEH-CJNGLKHVSA-N 389.399 -0.211 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1839862083 RQQDHVHQBXYFNY-KDOFPFPSSA-N 383.445 -0.701 30 20 GBED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1840844489 YTJZFZUJVGVHIE-CRAIPNDOSA-N 398.481 -0.567 30 20 GBED O=C(C#Cc1ccccc1)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844294983 WRNRBYVNJYFZRM-IBGZPJMESA-N 383.448 -0.108 30 20 GBED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847449210 RNOSNCABQIQRRN-OYHXCVFBSA-N 395.456 -0.032 30 20 GBED Cn1c(N)c(C(=O)CN2CCCN(c3ccccc3C#N)CC2)c(=O)n(C)c1=O 52800976 DENPMJBQEAAJCC-UHFFFAOYSA-N 396.451 -0.067 30 20 GBED Cc1oc(NC(=O)CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(C#N)c1C 265477197 RIFQXYFFAKRTOB-HUUCEWRRSA-N 396.469 -0.206 30 20 GBED C#CCSCCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 265785971 NDQNHMVFMDMZQP-UHFFFAOYSA-N 375.410 -0.947 30 20 GBED C=CCNS(=O)(=O)c1cc(C(=O)NCC(=O)N2CCOCC2)ccc1F 271911715 DVUAFGHZBHTPCV-UHFFFAOYSA-N 385.417 -0.121 30 20 GBED CCOC(=O)CO/N=C(/C(=O)NC[C@H](C)N1CCN(C)CC1)c1cc[nH]n1 276641040 UZCUTZNLRHVHHG-JEEMYIIMSA-N 380.449 -0.554 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 292281850 IHXVZRAELUHHSC-WBVHZDCISA-N 380.489 -0.247 30 20 GBED CC(=O)N1CCC[C@](O)(/C(O)=N/CCS(=O)(=O)N2CCSCC2)C1 329130213 OGDALQILPBVPBG-CQSZACIVSA-N 379.504 -0.305 30 20 GBED N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(CC#N)CC1 349468783 JXEOWFOWHVNWSM-UHFFFAOYSA-N 383.455 -0.682 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1C[C@H]2[C@@H](O)CC[C@H]2C1 349499903 SGANCDXRYJUJOJ-RQJABVFESA-N 379.504 -0.417 30 20 GBED N#Cc1cccnc1NS(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1CO 349516587 JRAIRGWSWXEOMK-CYBMUJFWSA-N 388.471 -0.128 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCn2ccnc2C1 349548797 GAZLBYXGEQKLCC-LBPRGKRZSA-N 375.476 -0.707 30 20 GBED C[C@H]1C[C@@H]1CNS(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1C#N 349567348 NCERPCCKSFUVDR-WDEREUQCSA-N 375.476 -0.001 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCCO2)c1C#N 349598012 DMRXIDHXFQQMPD-NSHDSACASA-N 391.475 -0.180 30 20 GBED O=C(NCC#Cc1cccc(F)c1)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424477279 BHKOLWQSAQUYQS-ZDUSSCGKSA-N 382.369 -0.996 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)nn1CCC#N 447361194 WIPIHKGFPZRTLS-ZDUSSCGKSA-N 381.458 0.469 30 20 GBED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 467606691 PLAQNMRWCQXJJM-UHFFFAOYSA-N 381.458 -0.034 30 20 GBED N#Cc1ncn(CC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)n1 494560276 ABZARGULEQQWLE-UHFFFAOYSA-N 375.414 -0.854 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)CN(C)CC(=O)NC(C)C)CC2)c1C#N 507825395 NALRJGLQVLSJDW-UHFFFAOYSA-N 375.477 -0.295 30 20 GBED COC(=O)c1cccc(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1C#N 535205463 HVPWYOKJMHXSJR-IAGOWNOFSA-N 393.465 -0.068 30 20 GBED N#CC1CCN(C(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC1 557282097 AKIISFDYBLPLKV-UHFFFAOYSA-N 398.467 -0.001 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)cc1 576510422 ISJCORQHUBKBJD-MRXNPFEDSA-N 391.409 -0.963 30 20 GBED C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 594636511 RJRMJPDIWKGGNN-WUHRBBMRSA-N 385.467 -0.264 30 20 GBED Cn1c(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc(=O)n(C)c1=O 596068048 SUBYQXHSLFQAQK-UHFFFAOYSA-N 389.437 -0.533 30 20 GBED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ncn(CC(=O)N(C)C)n1 610698941 TZNYIUBAFUHKQI-LBPRGKRZSA-N 398.431 -0.229 30 20 GBED Cn1c(S)nnc1CCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 729256604 XSXHUPXMXGOVBC-UHFFFAOYSA-N 380.455 -0.499 30 20 GBED N#C[C@H]1CN(C(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCN1C1CC1 737678072 GIWYQYUILOPOGH-HNNXBMFYSA-N 380.412 -0.205 30 20 GBED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)[C@H]1CCCO1 773559098 NQXRUGUQYQLZPE-LSDHHAIUSA-N 395.485 -0.075 30 20 GBED Cn1cc(S(=O)(=O)NN=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n(C)c1=O 777888576 SBHVEJJBBMCOEN-UHFFFAOYSA-N 385.333 -0.556 30 20 GBED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CNC[C@H]1C#N 834510480 BMJVZDDALPSXJJ-IUODEOHRSA-N 394.453 -0.443 30 20 GBED CS(=O)(=O)CCNC(=O)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 846722041 PTPNHGLCLVTOTE-UHFFFAOYSA-N 392.481 -0.200 30 20 GBED C#CCCCc1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1C[C@H]1CCOC1 910135873 NZJBMDZYLDGXOU-CABCVRRESA-N 386.456 -0.583 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)CN3CC(=O)NC3=O)[C@H]2C1 976046756 OVVXHCNKWZOGIZ-XGUBFFRZSA-N 390.440 -0.421 30 20 GBED CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 1042978479 BIVOVJAVKHZTHK-APIJFGDWSA-N 388.428 -0.696 30 20 GBED CN1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(C#N)nn2)S1(=O)=O 1055462088 SFSOKAYYNRULMT-YIYPIFLZSA-N 376.442 -0.392 30 20 GBED C#CCNC(=O)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1067239937 PAWGRSXCGNWAQY-RLFYNMQTSA-N 379.457 -0.516 30 20 GBED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H](NC(=O)COC)C(C)C 1109808913 FTRKWLKICVBZRP-LLDVTBCESA-N 380.489 -0.203 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)n1 1117085685 JTOMNVUIQWJRJY-KRWDZBQOSA-N 388.516 -0.136 30 20 GBED CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1118183921 QUXRCCHNELQINY-IBGZPJMESA-N 393.488 -0.734 30 20 GBED C#CCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1260310108 UAWLSRBVOCEJGP-UHFFFAOYSA-N 393.465 -0.573 30 20 GBED CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNS(C)(=O)=O)CC1 1288985975 IIGARUSEOLFPNF-GFCCVEGCSA-N 395.489 -0.092 30 20 GBED CNS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1299313408 ZYWGWWIQPZYKDJ-LBPRGKRZSA-N 381.462 -0.482 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCS(=O)(=O)CC1 1319229396 IDAMYQARWRATAV-NSHDSACASA-N 385.467 -0.082 30 20 GBED CNS(=O)(=O)c1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 1322655625 WWUFAFXKKQKSPI-PEZBUJJGSA-N 378.410 -0.149 30 20 GBED Cc1cc(NC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)nn1CCC#N 1323256844 WHFZINVXGCCVGF-CYBMUJFWSA-N 396.473 -0.169 30 20 GBED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CCC[C@H]2C(=O)NC2CC2)CC1 1325132600 QLRABBMVVJPBKK-INIZCTEOSA-N 396.451 -0.129 30 20 GBED N#CC[C@]1(O)CCN(C(=O)C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)C1 1327039758 DOLHJFFDJJTQQF-NHYWBVRUSA-N 390.362 -0.219 30 20 GBED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCO[C@H](C(=O)OC)C1 1344759392 WSQKRVUIBRIGSX-INIZCTEOSA-N 389.408 -0.066 30 20 GBED C=CCCOCCNC(=O)C(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 1346893722 CMXHWAXMJDUNPX-UHFFFAOYSA-N 375.491 -0.032 30 20 GBED N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCOC2=O)CCO1 1505322390 MXZCLRUMBTTZPV-OLZOCXBDSA-N 389.416 -0.200 30 20 GBED C=C(C)Cn1c([C@@H](C)O)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1524104905 LKQNCYXKADZXKP-OAHLLOKOSA-N 378.477 -0.112 30 20 GBED C#CCOCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2nccnc2-c2nn[nH]n2)C1 1573288581 WHLHEBSIUWLKTE-CHWSQXEVSA-N 386.416 -0.276 30 20 GBED C#CCCCCNC(=O)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 1588346142 ZFRDGSRIUKECNH-UHFFFAOYSA-N 382.428 -0.170 30 20 GBED C#CCN1CCC(C(=O)NCCN(C)c2nc(C)cc(-c3nn[nH]n3)n2)CC1 1588352005 QUUYPRAXYSXWJS-UHFFFAOYSA-N 383.460 -0.137 30 20 GBED C#CCNC(=O)CN[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 1588354562 PZDLOCQIURRIGU-OSAQELSMSA-N 382.428 -0.473 30 20 GBED C#Cc1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)nc1 1588366976 FENGVXAIKMCQBG-GXTWGEPZSA-N 391.395 -0.597 30 20 GBED C=CCCn1cc(C(=O)N2CC(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nn1 1588621043 SPMZBDITTOGMQS-UHFFFAOYSA-N 382.388 -0.383 30 20 GBED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)C(=O)O 1595639471 ZCALJODWQPBIQL-RYUDHWBXSA-N 383.426 -0.154 30 20 GBED C#CCN(CC#CC)C(=O)C(=O)Nc1ccccc1-n1cnc(-c2nn[nH]n2)n1 1602719581 CHUWBHLZGJNZLS-UHFFFAOYSA-N 389.379 -0.129 30 20 GBED C=C[C@@](C)(O)CC(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 1602791732 ALGWXIKELHLACY-SJORKVTESA-N 388.432 -0.305 30 20 GBED CCc1nc(-c2nn[nH]n2)cc(N2CC[C@H](NC(=O)C#CC(C)C)[C@@H](O)C2)n1 1604544940 XRYJATISDCPSAF-JSGCOSHPSA-N 384.444 -0.066 30 20 GBED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CCO1 1618693301 JOZKOBKPUYDMGC-HNNXBMFYSA-N 397.439 -0.144 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778827968 ZCORWGOPVJMGNG-ZEGWDFLXSA-N 389.452 -0.311 30 20 GBED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc[n+]([O-])cc2)C1 1779946174 QQHIRDGKAZPHQC-DNVCBOLYSA-N 387.392 -0.465 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781044052 UZCFKHKQOXJDSC-XLPNERPQSA-N 381.473 -0.888 30 20 GBED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]32)CCC1 1792138959 HPVIHUASUDMLMX-AJNGGQMLSA-N 391.472 -0.747 30 20 GBED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2 1797742432 ZNKZRQGJFLUPFN-FNATUEMYSA-N 375.473 -0.424 30 20 GBED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1830056345 UYRQHOXFABTDIG-IBGZPJMESA-N 392.456 -0.385 30 20 GBED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CN)C3)C2)c1 1830458988 NLZJRFYZRUBZBX-FQEVSTJZSA-N 386.452 -0.094 30 20 GBED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)COCCO)C2)C1 1832458709 WVHSVNUUDNKBOH-KRWDZBQOSA-N 388.486 -0.629 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834242296 XJCMAASDEIHWQN-KXBFYZLASA-N 390.440 -0.472 30 20 GBED C[C@](O)(CC(=O)O)CC(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835364085 KTYXXANLHDUFCO-QZTJIDSGSA-N 397.428 -0.638 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835426871 LFFIDINLPAVYMO-DYVFJYSZSA-N 387.502 -0.515 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)=O)CCO2)C1 1839856658 CRYAJZZXVYHIEL-RDTXWAMCSA-N 383.445 -0.830 30 20 GBED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)n1cncn1 1840415916 UEDZMKVNAYKRIC-KXBFYZLASA-N 387.440 -0.291 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840449412 LFVQFHJYECVQIJ-CZUORRHYSA-N 383.474 -0.557 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NC(=O)CC)C1 1841531829 QJVDWSGICGNPBI-WBTMPAOCSA-N 376.457 -0.037 30 20 GBED N#Cc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2C(=O)CNC2=O)cc1 1847307418 SAOQZUAFKHKSIQ-HOTGVXAUSA-N 395.419 -0.146 30 20 GBED CC(C)(CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)NS(C)(=O)=O 68189586 LHBGJPXTWAWBTQ-UHFFFAOYSA-N 387.483 -0.083 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 268738323 QUWFDJHHKBAOCR-YPMHNXCESA-N 385.467 -0.129 30 20 GBED CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 287921552 QGUHYQNDBUAFKG-UHFFFAOYSA-N 379.442 -0.847 30 20 GBED Cn1c(=O)c2nc(CN3CC[C@@H](Oc4ccc(C#N)cn4)C3)[nH]c2n(C)c1=O 292215840 OSNCLIVNFBVYOG-GFCCVEGCSA-N 381.396 -0.120 30 20 GBED Cc1nsc(N2CCN(C(=O)NCCN3CCNC(=O)C3)CC2)c1C#N 293170503 XQLDTTAZQVXZBO-UHFFFAOYSA-N 377.474 -0.413 30 20 GBED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCNS(=O)(=O)N(C)C 298236778 ZWONDLAOCPKNRV-UHFFFAOYSA-N 386.405 -0.712 30 20 GBED CCn1cc(C#N)c(=O)n(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)c1=O 328883562 YACUYTBRCGBPGQ-UHFFFAOYSA-N 387.440 -0.237 30 20 GBED CNC(=O)[C@]1(C)CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N)C1 349489714 FZOKGLXPQLNUDZ-GXTWGEPZSA-N 394.519 -0.662 30 20 GBED CC(=O)N1CCN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N)CC1 349532679 BYJDNIKBKFDZAD-LBPRGKRZSA-N 380.492 -0.956 30 20 GBED COC(=O)[C@@H]1COCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 368540945 XVNRUGSVJLPQAY-AWEZNQCLSA-N 377.401 -0.623 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)CC1 374222302 FLHFYCWSOHWEOP-OLZOCXBDSA-N 388.390 -0.273 30 20 GBED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CSCC#N)CC2)C[C@H](C)O1 408044310 UJGUYZDTNOREOJ-STQMWFEESA-N 376.504 -0.259 30 20 GBED N#C[C@@H]1CN(S(=O)(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CCO1 409537138 OQQQASQGUMLSJL-OAHLLOKOSA-N 385.490 -0.914 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO)n1 441714493 GGSCOUHRHOHWGF-NSHDSACASA-N 391.350 0.408 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)C(=O)N1CCOCC1 481490472 KFZNAWGTNWTRPK-QWHCGFSZSA-N 394.453 -0.411 30 20 GBED Cc1ccc(C(=O)N[C@@H](CO)c2cnn(C)c2)cc1S(=O)(=O)NCC#N 481872547 OTGDMEGXXMNTND-AWEZNQCLSA-N 377.426 -0.006 30 20 GBED C=CCn1c(CC(F)(F)F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 573723149 LMJQSZUPGAAGKV-UHFFFAOYSA-N 385.354 -0.096 30 20 GBED COc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)nn1 579364084 SYKUTZNYGUENGJ-NSHDSACASA-N 382.384 -0.177 30 20 GBED C[C@@H](O)CN(C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@H](C)CO 587648166 SCGOIDOCTAZPIE-ZIAGYGMSSA-N 389.456 -0.372 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3CCO[C@H](C(=O)O)C3)CC2)c1C#N 591568336 RJHRPKPNPZXGJA-LBPRGKRZSA-N 393.425 -0.716 30 20 GBED C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](n2cncn2)C1 594636731 YMILINVMZAYJCV-CHWSQXEVSA-N 390.491 -0.582 30 20 GBED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(OCC)cc2)CC1 728608574 IEMDTBHUNYRNLM-UHFFFAOYSA-N 386.452 -0.291 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745442131 SQFPKQPIVKWSCI-NPNZPCOPSA-N 379.369 -0.908 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NC(=O)NC1CC1 767626313 GJPLEHPOTQFFPD-SNVBAGLBSA-N 394.409 -0.244 30 20 GBED CC1(C)OCC(CO)(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CO1 819514972 YACRIWDXNFULPR-UHFFFAOYSA-N 383.426 -0.645 30 20 GBED N#C[C@@H](C(=O)c1ccc(-c2nn[nH]n2)s1)C(=O)N1CCS(=O)(=O)CC1 822800952 BTMNQDRCUDNJMZ-QMMMGPOBSA-N 380.411 -0.492 30 20 GBED C=CCn1cc(C(=O)N2C[C@H](O)[C@H](NC(=O)[C@H]3OCC[C@H]3C(C)C)C2)nn1 964598200 ICTBNPVDLCZAMD-XRGAULLZSA-N 377.445 -0.173 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C2CN(C(=O)[C@@]34COC[C@@H]3C4)C2)CC1 967254935 RGELIIRNENKLKR-FORWCCJISA-N 375.469 -0.031 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc3nc(O)[nH]c3n2)C1 970127933 IPJQLCAEUUSDLH-QQUHWDOBSA-N 387.396 -0.444 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cnns2)C[C@@H]1n1ccnn1 990964069 XVOPWADLLUPAOT-NDBYEHHHSA-N 389.441 -0.097 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cc3n(n2)CCCO3)C[C@H]1O 1023958060 GQDPGPUZNASTGS-MIGQKNRLSA-N 390.440 -0.052 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(C)c2)C1 1024553403 CBCZPGBNJJGGBA-HWMZRRJGSA-N 375.425 -0.332 30 20 GBED C=C(Cl)CN1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H]2CS(=O)(=O)C[C@@H]21 1094659734 NSIFUTQSZKTMCW-QNWHQSFQSA-N 391.877 -0.918 30 20 GBED COC[C@@H](C)NC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C#CC1CC1 1110542919 CVACDDVXDKYXGL-MIGQKNRLSA-N 376.457 -0.018 30 20 GBED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1c1cn(C)cn1 1130630100 FEYUPOKRTLMXJO-ZMHQTACCSA-N 399.495 -0.131 30 20 GBED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cn(C)c(=O)n(C)c2=O)cc1 1263290241 IIOJLMVHYSUDQP-CYBMUJFWSA-N 397.391 -0.253 30 20 GBED C#CCOCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 1321771883 IHRUEKAIHPDHIC-UHFFFAOYSA-N 393.465 -0.147 30 20 GBED C=CCn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1C(C)(C)O 1340547999 SSBMFQMUUDTHLZ-UHFFFAOYSA-N 378.477 -0.328 30 20 GBED N#CCOc1ccccc1C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 1343449229 UUTAELLGDGCORV-LSDHHAIUSA-N 379.438 -0.495 30 20 GBED C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1c1nc(C)ccc1-c1nn[nH]n1 1573286583 FJUUUPKUBBLJCI-ZIAGYGMSSA-N 385.428 -0.070 30 20 GBED C#Cc1cncc(C(=O)NC[C@H](O)CNc2nc(C)cc(-c3nn[nH]n3)n2)c1 1573291589 GCTHLRJRTWXMDZ-ZDUSSCGKSA-N 379.384 -0.456 30 20 GBED C#Cc1ccc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H](C)OCc2cnn[nH]2)cc1 1575021616 IERQSAHGOIULBW-DYVFJYSZSA-N 385.424 -0.060 30 20 GBED C=CCNC(=O)[C@@H](C)NCCN(C)C(=O)C1CCN(Cc2cnn[nH]2)CC1 1575104941 XSAYDGHTSDAISR-CQSZACIVSA-N 377.493 -0.245 30 20 GBED N#C[C@]12CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)o3)C[C@H]1CS(=O)(=O)C2 1581860299 UGASVRLUNQJFQR-QPUJVOFHSA-N 384.399 -0.981 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@@H]1O 1588443554 TYYNQAKJOJIYTC-YOENINGUSA-N 385.428 -0.091 30 20 GBED C=CCCO[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1O 1588610518 GDAKUAMRJHUOQC-LERXQTSPSA-N 389.416 -0.523 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 1588722851 CVFNJENZPWABKT-SCRDCRAPSA-N 389.416 -0.665 30 20 GBED N#Cc1c[nH]ccc1=NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCO1 1592704091 SLRRCCWNYGVIQU-ZDUSSCGKSA-N 379.384 -0.164 30 20 GBED CC[C@H](CNS(C)(=O)=O)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1604037853 OEZJCMSALXYPHD-ZIAGYGMSSA-N 391.457 -0.007 30 20 GBED CN(CCC#N)S(=O)(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 1604736376 QAROPXADQKUNPB-UHFFFAOYSA-N 377.434 -0.526 30 20 GBED Cc1cc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)ncc1C#N 1642362663 MMUSTSBMPOVPFY-CQSZACIVSA-N 384.483 -0.099 30 20 GBED CN1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1779020733 URNPWNNXMCIHRT-YBCYLVPRSA-N 377.489 -0.150 30 20 GBED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)n1ccccc1=O 1783563803 AEHGKEDQRQCBII-LIRRHRJNSA-N 387.392 -0.673 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)OC)C2)C1 1784260219 LPXDSVSDDXDIGL-GOSISDBHSA-N 397.428 -0.318 30 20 GBED CCCNC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784376302 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C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819662463 JJQOYQYUZVFILC-NXEZZACHSA-N 389.437 -0.031 30 20 GBED O=C1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)CN1 1831207482 NSKYJRSXNRFDPD-OXJNMPFZSA-N 389.452 -0.618 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncon3)C2)C1 1831396379 LBIOFJWSKGPSGG-GUYCJALGSA-N 378.385 -0.822 30 20 GBED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[nH]n3)CCO2)C1 1831758278 KAPDXAPWMJJULP-KDOFPFPSSA-N 376.413 -0.482 30 20 GBED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833840330 NUJYIWHPSARFGK-CXAGYDPISA-N 397.501 -0.161 30 20 GBED C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1837641416 NYPMHBPXKUZPTK-PBHICJAKSA-N 376.417 -0.716 30 20 GBED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCNC(=O)C3)CCO2)C1 1840227068 DWDLCMGXVBLMND-KUHUBIRLSA-N 392.456 -0.481 30 20 GBED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840484615 AFGXNROQNIONGI-FZKQIMNGSA-N 395.481 -0.018 30 20 GBED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N(C)C)CC2)cc1 17800257 HFGIQGMZBUUYJK-UHFFFAOYSA-N 394.497 -0.003 30 20 GBED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cccnc2=O)CC1 32684290 FGOGHZDGQLCSFM-UHFFFAOYSA-N 387.421 -0.352 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(CC(=O)NC)CC2)c1=O 173906212 NCZZTCBFEWSTSC-UHFFFAOYSA-N 377.445 -0.651 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCC2CCN(CCN(C)C)CC2)C1=O 264983705 AKTSPRUVWPTTNC-UHFFFAOYSA-N 379.461 -0.647 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H](O)CN2CCOCC2)c1 267668243 KXPFYOYSHYLHNR-MRXNPFEDSA-N 397.497 -0.084 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCN(CC)S(C)(=O)=O)C1=O 285716181 YRKCOXDXVYAWSC-ZDUSSCGKSA-N 388.490 -0.981 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 292368938 SBJZRRPJUGXIAV-IKGGRYGDSA-N 392.500 -0.151 30 20 GBED C#CCN(C)CCCNC(=O)C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C 293529497 ZSSUFASBZIGNJT-UHFFFAOYSA-N 380.470 -0.039 30 20 GBED COC[C@@H]1CN(C(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)CCO1 297751393 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Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCCN(C)C1=O 460688016 HOUPTDMAGQVHNQ-CYBMUJFWSA-N 381.396 0.123 30 20 GBED CC1CCC(NC(=O)CN2CCN(C(=O)NCC(=O)NCC#N)CC2)CC1 511901932 ROHJPVPZHRDFIM-UHFFFAOYSA-N 378.477 -0.352 30 20 GBED CN(C)CCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC#N)cc1 566486644 LBLSWVBXWLSUHX-UHFFFAOYSA-N 399.498 -0.093 30 20 GBED CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 582081231 HFMNFJSYNYGBPL-KBPBESRZSA-N 378.433 -0.435 30 20 GBED Cc1nsc(N2CCN(C(=O)C(=O)N3CCNC(=O)C[C@H]3C)CC2)c1C#N 590986003 HXJARYZGPPHGOD-LLVKDONJSA-N 390.469 -0.291 30 20 GBED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)OC)C2)cc1 592329137 NQLQIYMPEYDUSN-UKRRQHHQSA-N 389.408 -0.077 30 20 GBED CC[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CCNC(=O)C[C@H]1C 594636995 LEMUVEMQNPMFOW-OLZOCXBDSA-N 394.519 -0.520 30 20 GBED CC(C)(C(=O)O)n1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 596000170 RBVQPOPIPFCMTQ-UHFFFAOYSA-N 391.409 0.491 30 20 GBED COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 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-0.147 30 20 GBED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)NC)CC1 803936726 MTOZXAKOLPMFFX-SNVBAGLBSA-N 376.435 -0.894 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc(-c3nn[nH]n3)cc2)C1=O 823920175 ZKPKNFVWYMHTFP-UHFFFAOYSA-N 398.335 -0.431 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(-c2nn[nH]n2)ccc1C 823931637 CGOAHSQFLIJVAK-UHFFFAOYSA-N 378.414 -0.169 30 20 GBED CN(C)C(=O)CN1CCN(C(=O)CN2CCN(c3ccc(C#N)cc3)CC2)CC1 879585238 UPSSGMHGSRMJOF-UHFFFAOYSA-N 398.511 -0.087 30 20 GBED CN1CCN(c2ccc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)cc2)CC1 882662526 ITHUQUDUADZMJY-KRWDZBQOSA-N 379.486 -0.003 30 20 GBED C#Cc1cncc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@H]4OCCO[C@H]4C)C[C@@H]32)c1 960917273 PUVQIUUACSLFQX-RUGDWHBFSA-N 385.420 -0.081 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cn(CCC)nn2)C[C@@H]1O 964477366 XHJZXWDOWUGFHK-XRGAULLZSA-N 377.445 -0.029 30 20 GBED CCO[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1CN=c1cc[nH]cc1C#N 1047945562 MEQVBQPYNFLEFP-XLNGHYISSA-N 387.440 -0.317 30 20 GBED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1117144851 LNSRXGFBHHKQRD-KBPBESRZSA-N 399.455 -0.488 30 20 GBED C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](F)(C#N)C2)CCN1c1nccn2cnnc12 1117904315 BIVSZDBIYLTLJF-SJKOYZFVSA-N 386.391 -0.374 30 20 GBED C=CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 1219650029 WJDPPVGSLYGBLA-VQHPVUNQSA-N 387.484 -0.383 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NC(=O)NC2CC2)C[C@@H]1O 1219656279 UVGIDPGNMWUCHF-KBXIAJHMSA-N 380.445 -0.883 30 20 GBED C=CCS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(-n2ccnc2)nc1 1321466491 UPZXUAFZTHPUJF-UHFFFAOYSA-N 377.426 -0.400 30 20 GBED CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1 1325744521 FMJLPGYUGZTHOU-ZDUSSCGKSA-N 380.426 -0.696 30 20 GBED C[C@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@@](O)(CC#N)C2)C[C@@H](C)O1 1326535072 ZMCPSWOYFUABKN-RCJHGTSTSA-N 378.473 -0.036 30 20 GBED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[C@](F)(CO)C3)C2=O)cc1 1342867784 JGWMKGYHKPMSMG-DNVCBOLYSA-N 388.399 -0.292 30 20 GBED C#CCNS(=O)(=O)N1CCN(c2nnnn2CCCc2cccs2)CC1 1344699929 UHSKFIZQFYIVBP-UHFFFAOYSA-N 395.514 -0.043 30 20 GBED C=C(Cl)CN1CC(N2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2=O)C1 1573294930 JURJPKJBFPSXSP-NSHDSACASA-N 390.835 -0.038 30 20 GBED C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[nH]n2)nc1 1573300930 WLCDTJVWYPLWDG-ZFWWWQNUSA-N 388.432 -0.378 30 20 GBED C=CCn1cc(C(=O)NC2CN(C(=O)[C@@H]3CCCN3Cc3cnn[nH]3)C2)nn1 1575111700 JRJBRFHSHLKEHR-HNNXBMFYSA-N 385.432 -0.813 30 20 GBED N#Cc1cc(C(=O)NC[C@]2(O)CCN(c3ccc(-c4nn[nH]n4)cn3)C2)c[nH]1 1581865799 OVSRMINZKSSOAZ-QGZVFWFLSA-N 379.384 -0.167 30 20 GBED C#CCOCCC(=O)N1CCO[C@H]([C@H](C)Nc2cncc(-c3nn[nH]n3)n2)C1 1588359661 WDAIJFPGQMBODC-JSGCOSHPSA-N 386.416 -0.276 30 20 GBED C=CCOC[C@H](NC(=O)CNC(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)OC 1588681443 NYZMCABAUPNQBI-ZDUSSCGKSA-N 388.384 -0.543 30 20 GBED C[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1CNCC(=O)NCC#N 1590262085 VARNTRXFBSWCQQ-BXUZGUMPSA-N 385.432 -0.335 30 20 GBED CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1CN=c1cc[nH]c(-c2nn[nH]n2)n1 1590820173 OGFVYAVPZMJWFS-ZIAGYGMSSA-N 382.428 -0.233 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)C(=O)O)cc1 1598376619 YDKZSADBMSGTIT-UHFFFAOYSA-N 375.428 -0.028 30 20 GBED C=CCCn1cc(C(=O)N[C@@H](C)[C@H](C)N=c2cc[nH]c(-c3nn[nH]n3)n2)nn1 1602846789 ZGVBVZKAHIPMOU-QWRGUYRKSA-N 383.420 -0.135 30 20 GBED CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)CC2 1628551018 QWJYKVZCGMVJQT-ZIAGYGMSSA-N 376.413 -0.011 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)COCc2nncn2C)C1 1757029578 GPZCTINIEJRVJK-CFAJVAMVSA-N 393.444 -0.999 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1778973490 GLEWBOJDRUSMNB-ACJLOTCBSA-N 383.445 -0.255 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cccnn3)C2)C1 1779457966 WQOVPPBNIWJQDZ-SFFCAUCYSA-N 385.424 -0.222 30 20 GBED O=C1C[C@H](C(=O)N2CC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)CN1 1783163614 XBBYJPGWGVKRKT-HIGRIZBISA-N 388.424 -0.336 30 20 GBED C[C@@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)C(F)(F)F 1784877088 GZRSAOSHHFQNLW-USXUVBGUSA-N 392.330 -0.633 30 20 GBED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)N(C)C)C2 1793381683 KADUXKLSIUUQSL-AYRXBEOTSA-N 386.518 -0.198 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(C)C(=O)CC1 1793784332 LQZXEPJAYBYNHT-VWPFQQQWSA-N 390.440 -0.778 30 20 GBED COCc1oncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1796689987 ACPOWVOBHROWRP-CULMDFNYSA-N 377.353 -0.888 30 20 GBED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnnc1O 1798379793 YAFNDTAILBNGEF-GUIRCDHDSA-N 376.413 -0.024 30 20 GBED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCOCC2)[nH]n1 1822200015 ARTPSIQFTLNAEO-AWEZNQCLSA-N 389.412 -0.178 30 20 GBED Cc1onc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1C 1831984191 DTQNAHIZPDFALO-GOSISDBHSA-N 391.380 -0.551 30 20 GBED CN1N=C(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)CCC1=O 1832375688 UQCZMMRSECUEOQ-SFHVURJKSA-N 391.428 -0.645 30 20 GBED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1834763367 DHPQCCUICIQIGP-HNNXBMFYSA-N 378.345 -0.698 30 20 GBED Cc1noc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)n1 1835354053 LLDOMFPUUVMUEQ-QGZVFWFLSA-N 377.401 -0.319 30 20 GBED CNCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838734804 LMUKJLQYUBSVHR-LJQANCHMSA-N 389.456 -0.044 30 20 GBED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1839807662 DPUORFBSTLJWOF-PMACEKPBSA-N 399.403 -0.189 30 20 GBED CCn1cc(/C=c2/s/c(=C(/C#N)C(=O)NCCOC)n(C3CC3)c2=O)cn1 264794955 BHLUYELODIHHIS-NVXPLGMQSA-N 387.465 -0.273 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)OC)cc1 275671825 WDZVGNZGKWDJFW-CABCVRRESA-N 380.422 -0.263 30 20 GBED N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1 280620660 QEMDRANMDSSVGM-INIZCTEOSA-N 375.454 -0.327 30 20 GBED C[C@@H]1CN(C(O)=Nc2cnn(CC(=O)N3CCOCC3)c2)C[C@@H](C)S1(=O)=O 329777432 KLNIZAWXABXNHU-CHWSQXEVSA-N 399.473 -0.205 30 20 GBED Cc1ncc(NS(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)cn1 349456315 ISABFNHMLWSMDA-UHFFFAOYSA-N 389.459 -0.793 30 20 GBED CN(CC#N)S(=O)(=O)CCCS(=O)(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 349583544 XWZJUQYDUZTIPX-YNEHKIRRSA-N 379.504 -0.105 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1=O 472278959 QALVRDYVRPYNFT-UHFFFAOYSA-N 399.411 -0.774 30 20 GBED C=CCOC[C@@H](NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C(=O)OC 481756395 NAEACOBYDNNUOX-GFCCVEGCSA-N 376.369 -0.894 30 20 GBED CN1C[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)N(C)CC#N)cc2)CC1=O 571106073 VYPNJDMGSHHTGI-NSHDSACASA-N 386.455 -0.660 30 20 GBED CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@]2(O)CCOC2)cc1 579972709 HIXJIJGSLXETHB-CQSZACIVSA-N 389.455 -0.740 30 20 GBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 592950985 FDGHVBRIMFUBCD-OLZOCXBDSA-N 381.410 -0.781 30 20 GBED N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cn2cnc(C(N)=O)n2)cc1 593053332 ZEDSHIIEWCUUDL-GFCCVEGCSA-N 385.409 -0.211 30 20 GBED N#C[C@H](C(=O)CCNC(=O)c1ccc(F)cc1)C(=O)N1CCS(=O)(=O)CC1 732907959 GLUYAUOBRJKUPL-CQSZACIVSA-N 395.412 -0.089 30 20 GBED Cn1c(=O)n(CC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c2ccccc21 732910639 SSVDJCHZTDFHJP-LBPRGKRZSA-N 390.421 -0.694 30 20 GBED NC(=O)[C@@H]1CC[C@H](CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)O1 759851623 ATBJJLPYCZOOTN-PWSUYJOCSA-N 380.426 -0.736 30 20 GBED CCNC(=O)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767677755 AKPJIGVGRCIEOI-SNVBAGLBSA-N 382.398 -0.386 30 20 GBED C[C@H](CC(=O)NCc1cc(C(N)=O)no1)/N=C1/NS(=O)(=O)c2ccccc21 769199215 CCCWJMBLUDRUED-SECBINFHSA-N 391.409 -0.093 30 20 GBED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(C)CC(=O)OCC)cc1 782637336 QYNZKLHRBZBHGI-UHFFFAOYSA-N 396.421 -0.224 30 20 GBED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC1(OCCO)CCOCC1 800669838 WGTBIERTDBRRQB-UHFFFAOYSA-N 397.453 -0.601 30 20 GBED C=CCNC(=O)NC(=O)COC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O 803469427 MMLBJQOCUCRVEF-GOSISDBHSA-N 375.381 -0.052 30 20 GBED N#CCNS(=O)(=O)c1cccc(S(=O)(=O)NC2(C(N)=O)CCCC2)c1 848955661 GXVMKARNEQOZPQ-UHFFFAOYSA-N 386.455 -0.435 30 20 GBED C#CC[C@H](CCOC)NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 875920180 XACPALBMZGBUQU-CQSZACIVSA-N 378.429 -0.582 30 20 GBED Cc1oc(NC(=O)COC(=O)CNS(=O)(=O)c2cnn(C)c2)c(C#N)c1C 919132907 ZXSSBMXCJGOJCB-UHFFFAOYSA-N 395.397 -0.038 30 20 GBED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)C[C@H]2OC)cn1 944101012 WTTZIGSSHKJRGB-DLTLXFJOSA-N 384.436 -0.080 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@@H]1O 964615049 DANLTQCPEXULFU-KBXIAJHMSA-N 386.412 -0.593 30 20 GBED N#Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCS(=O)(=O)N2)c[nH]1 1002142103 AEDGTLJVIPJZEQ-RQJABVFESA-N 377.426 -0.560 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C[C@H]2O)nn1 1023768834 DKDZZZDZMWUNFB-BRXULGCHSA-N 385.428 -0.697 30 20 GBED Cn1cc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2Nc2ccc(C#N)nn2)cn1 1047674326 AADPWFMZUSRPBT-CBBWQLFWSA-N 380.412 -0.390 30 20 GBED Cn1cc([C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2Nc2nccnc2C#N)cn1 1047675854 ZKYPARDFWSINTA-UKTARXLSSA-N 380.412 -0.390 30 20 GBED N#Cc1cccc(CN[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@@H]2n2ccnn2)c1 1070276318 APCZGFWUHQURGJ-TWMKSMIVSA-N 379.424 -0.187 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](NCC(=O)N2CCNC(=O)C2)C1 1086826284 HPJPVRLFAFGOAH-RCJHGTSTSA-N 392.500 -0.200 30 20 GBED CN(C)S(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccc(C#N)nc1 1092917510 DKQGVCMTCVZVTG-SNPRPXQTSA-N 378.458 -0.425 30 20 GBED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3[C@H](C)C(=O)NC(=O)NC)nn1 1109814334 YQLITTHKZJZIND-NMKXLXIOSA-N 375.433 -0.357 30 20 GBED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCC2(CC#N)CC2)CC1 1117685939 XLEHIRNABZMTAE-HNNXBMFYSA-N 375.473 -0.048 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CC(=O)NCC)C[C@@H]1n1ccnn1 1128993823 UKLXRHIYHZBHEQ-WCVJEAGWSA-N 376.461 -0.263 30 20 GBED N#Cc1cn(CC(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c(=O)nc1O 1157850896 WNJFJUOWAFMCBI-ONGXEEELSA-N 399.329 -0.310 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1323589277 YBHJKHVAGVMKKE-KBPBESRZSA-N 391.490 -0.797 30 20 GBED C=CCN(C(=O)C(=O)N1CCN(C(=O)N2CCOCC2)CC1)[C@H](C)COC 1327398755 BNHPNTSOUKPDFJ-OAHLLOKOSA-N 382.461 -0.368 30 20 GBED CC(=O)N1CCC[C@@H](CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1328774171 GFMNASAIGDXZHY-KRWDZBQOSA-N 398.467 -0.023 30 20 GBED C=C[C@@H]1OCC[C@H]1CNC(=O)NCCn1cc(-c2nn[nH]n2)c(O)nc1=O 1588725643 JHHOMWAOXLEITL-ONGXEEELSA-N 376.377 -0.981 30 20 GBED COCCN(CC#N)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1591422005 PIIPXSBWCLDCHA-LLVKDONJSA-N 393.429 -0.468 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(CC(=O)O)c2)CC1 1602724617 FLQIZZNLDJJKNJ-UHFFFAOYSA-N 379.438 -0.631 30 20 GBED C=CCOCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1O 1602870511 JOHKORHRKQYXKR-HUUCEWRRSA-N 376.392 -0.130 30 20 GBED C=CCn1cc(C(=O)N2CC[C@H]2CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)nn1 1602882887 ZFTRKHHGEXAGJR-NSHDSACASA-N 382.388 -0.383 30 20 GBED N#Cc1cn(CC(=O)NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c(=O)nc1O 1627818599 SAABLACSUDXHHM-VIFPVBQESA-N 387.318 -0.262 30 20 GBED CNS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1767854185 MZCYZDVJQWNRFP-CQSZACIVSA-N 391.457 -0.458 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778938464 DFFWTZWSFDJZEJ-ACJLOTCBSA-N 378.429 -0.735 30 20 GBED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1783683394 ZABQFDNIUGIPML-VGWMRTNUSA-N 394.472 -0.834 30 20 GBED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783892206 BHKNNHVCBPVYKR-HFAKWTLXSA-N 375.447 -0.801 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]n3)C[C@@H]21 1788572391 DRJNTPZAEUAGCV-XDQVBPFNSA-N 377.445 -0.029 30 20 GBED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1nc[nH]n1)C2 1793346690 HYJIJKGRHHIWPO-GUIRCDHDSA-N 393.469 -0.475 30 20 GBED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2=NNC(=O)C2)c1 1797683761 HVWCQELFWGDQNS-JLVBRIDZSA-N 395.419 -0.054 30 20 GBED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)NCC 1797694179 FDHUAKPJAUTESD-GVRJEKJASA-N 396.488 -0.125 30 20 GBED CC[C@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)ON=C(C)C 1799394065 SWNYRBYDAKTAMD-RMEBNNNOSA-N 397.476 -0.176 30 20 GBED Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)S)no1 1800985136 WYCDUTDFTIORKU-MCYUEQNJSA-N 396.469 -0.379 30 20 GBED Cn1nc(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)cc1O 1825664118 PZUOSDAAKLJSTL-MRVPVSSYSA-N 389.393 -0.104 30 20 GBED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(OC)OC)CCO2)C1 1831028389 KMXLXSINSNFVFY-KSSFIOAISA-N 386.445 -0.347 30 20 GBED Cc1cc(C)n(CC(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)n1 1833036257 WCDBLXCJJXKMQU-SFHVURJKSA-N 375.429 -0.130 30 20 GBED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1833115185 WLGLHSQPQQSVTP-HXUWFJFHSA-N 384.436 -0.111 30 20 GBED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1834756142 MJIAALWEFOCWPR-QGZVFWFLSA-N 389.368 -0.842 30 20 GBED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)N(C)C)CCO2)C1 1835426873 LFFIDINLPAVYMO-SUMWQHHRSA-N 387.502 -0.515 30 20 GBED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(CN(C(=O)CN)CCO3)C2)cc1 1835541653 HJCSKBZIVKQPPB-HXUWFJFHSA-N 386.452 -0.094 30 20 GBED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1839214048 OMMNBLJSCNKSLJ-KSSFIOAISA-N 378.429 -0.633 30 20 GBED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nccn1)CCO2 1839234381 JHTIKXKYBZEROO-KRWDZBQOSA-N 395.485 -0.346 30 20 GBED O=C1CC(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)=NN1 1844223763 SDWQPSWAMLQYGV-UPAIAECRSA-N 377.401 -0.405 30 20 GBED Nc1n[nH]c(CCC(=O)N2CC3(CCCN3C(=O)/C=N/N3CCCCC3)C2)n1 1844259310 BHUBFQHXZXSYNW-RGVLZGJSSA-N 388.476 -0.005 30 20 GBED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 50169806 IVWSHVWIHFXBAG-UHFFFAOYSA-N 395.441 -0.544 30 20 GBED C/N=C(/NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NC[C@H]1CCS(=O)(=O)C1 261811852 SRKUVENMLMDOBO-FQKPHLNHSA-N 394.497 -0.607 30 20 GBED CN1CCN(c2ccc(C/N=C(\N)NCCCN3CCOCC3)cn2)CC1 264113939 PLFYPCTVXLCTOR-UHFFFAOYSA-N 375.521 -0.040 30 20 GBED CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 297422095 ACACGMGKIZRKBU-LJQANCHMSA-N 384.440 -0.414 30 20 GBED CC(C)(C)OC(=O)N1CCN2/C(=N\CCOCCS(C)(=O)=O)NC[C@@H]2C1 305040759 VJLAJULWISJCPY-CYBMUJFWSA-N 390.506 -0.072 30 20 GBED C[C@H]1[C@@H](C)N(S(=O)(=O)CCCS(=O)(=O)NC2(C#N)CC2)CC[S@]1=O 349481240 ODZDQLGOZSLXFN-HIMNYSJASA-N 397.544 -0.477 30 20 GBED N#CCNS(=O)(=O)CCCCS(=O)(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 349605576 HAPRGERGTHFUHV-XJFOESAGSA-N 375.472 -0.575 30 20 GBED C[C@@H](C#N)N(C)S(=O)(=O)CCCCS(=O)(=O)N1C[C@@H]2CN(C)C[C@@H]2C1 349622823 RQQXRLBQXVRIPZ-SOUVJXGZSA-N 392.547 -0.237 30 20 GBED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCN2CCOCC2)c(Cl)c1 414475950 YVNGTWGWUBIHTB-UHFFFAOYSA-N 386.861 -0.062 30 20 GBED N#Cc1cn(C2CN(C(=O)N[C@H]3CCCN(c4ncccn4)C3)C2)c(=O)nc1O 527688631 RHWWPQZWMKLFSR-ZDUSSCGKSA-N 396.411 -0.154 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(S(N)(=O)=O)cn1C 532311793 KTCHYPWDFGEVNS-LLVKDONJSA-N 389.441 -0.315 30 20 GBED CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(c2cnccc2C#N)CC1 553698166 KTYGNHCLRNWKJN-UHFFFAOYSA-N 395.485 -0.054 30 20 GBED N#CCNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 557721971 XAIVEMGNERTIGZ-UHFFFAOYSA-N 394.331 -0.381 30 20 GBED CC[C@H](CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)C(=O)OC 594622717 ZHGKLJDEBAAOND-LLVKDONJSA-N 389.455 -0.034 30 20 GBED CCCn1nccc1C=c1sc(=C(C#N)C(=O)NCCCOC)n(C)c1=O 596167041 CNTCYEKIAWLPLE-UHFFFAOYSA-N 389.481 -0.291 30 20 GBED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CCOC 794583146 WVOFIXVSNUOIQY-UHFFFAOYSA-N 375.454 -0.417 30 20 GBED CCOC(=O)CON=C(C(=O)N[C@H]1CCc2nnnn2CC1)c1cc[nH]n1 817699764 DNNVOAHMHBAKCF-JTQLQIEISA-N 376.377 -0.799 30 20 GBED CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1 846081699 IREKTYAGFKJYNZ-NSHDSACASA-N 384.389 -0.183 30 20 GBED CC1(C)COC(=O)[C@H]1NS(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 848964941 ZIQPSEHPMMTZRK-SNVBAGLBSA-N 379.460 -0.777 30 20 GBED C[C@@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@@H]1NC(=O)C(F)(F)F 851882890 JWDIHXGHEYKPIN-VWYCJHECSA-N 384.380 -0.156 30 20 GBED C=CCn1cc(C(=O)N2CC(N(C)C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)nn1 954998966 YLLZNFCWIKCXPS-DUVNUKRYSA-N 375.429 -0.202 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nn1 994613107 HKPWABNNMHPAIN-RJZRQDKASA-N 390.444 -0.679 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 1023668820 SJJDLBVXQLOWMV-FPCVCCKLSA-N 375.425 -0.483 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cn(C3CCC3)nn2)C1 1023945776 ZHUCKCMXUGFQMY-XOUADPBQSA-N 375.429 -0.104 30 20 GBED C=CCn1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCN(C)[C@@H]3CC)C2)nn1 1023980614 WZUGHFZYMQOAQL-SJXGUFTOSA-N 376.461 -0.504 30 20 GBED C#Cc1ccccc1CC(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1O 1024955908 KSKRYFYDEUHATC-XMTFNYHQSA-N 383.448 -0.377 30 20 GBED C=CCNC(=O)NC(=O)[C@H](C)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nccn1 1109340451 OUHWAXMZFRAAMQ-CRWXNKLISA-N 375.433 -0.600 30 20 GBED C=CCn1cc(CNC(=O)C(=O)N2CCN(CC(=O)N(CC)CC)CC2)nn1 1118115968 LMUQKEBLMLWSFF-UHFFFAOYSA-N 391.476 -0.907 30 20 GBED CN(CCNS(C)(=O)=O)CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1 1324184092 NASUCPVTWMGDJX-LBPRGKRZSA-N 377.426 -0.007 30 20 GBED C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2cc3c(nc2O)CCC3)CC1 1331014188 OYQZYZRWYJTLCF-UHFFFAOYSA-N 384.436 -0.120 30 20 GBED CN(C)C(=O)OC1CCN(C(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1332077566 BVKNTNVSLVVBDH-CQSZACIVSA-N 377.445 -0.126 30 20 GBED C#CCO[C@H](C)C(=O)NCCN1CCN(C(=O)[C@H](C)OCc2cnn[nH]2)CC1 1575013313 NSIFPTYUIKHASC-CABCVRRESA-N 392.460 -0.992 30 20 GBED C[C@@H](C#N)C(=O)N(Cc1cnn[nH]1)C1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 1575179340 UJGDKWVRQSZWOT-SMDDNHRTSA-N 388.432 -0.692 30 20 GBED N#Cc1ncc(N2CCC(N3CCCS3(=O)=O)CC2)nc1-c1nn[nH]n1 1581882010 HVQHJSWEHUHWQT-UHFFFAOYSA-N 375.418 -0.467 30 20 GBED C#CCNC(=O)CN1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(-c2nn[nH]n2)[nH]1 1588354555 PSVXPALMBQGFPS-CABCVRRESA-N 382.428 -0.377 30 20 GBED C#CCNC(=O)CN1CC[C@@]2(CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 1588354722 XCZKEJJEQQABND-GOSISDBHSA-N 382.428 -0.518 30 20 GBED C#Cc1ccc(C(=O)N(CCO)CCN=c2cc[nH]cc2-c2nn[nH]n2)nc1 1588366451 SGFFNZCLGCWDHU-UHFFFAOYSA-N 378.396 -0.394 30 20 GBED C=C[C@](C)(CCOC)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O 1588496258 OJRDJMDTFTZDCH-PSTGCABASA-N 388.432 -0.449 30 20 GBED CCOC(=O)c1cnn(C)c1NC(=O)Cn1c(C)nc(C#N)c1-c1nn[nH]n1 1604389905 IBYLYHNBNMOIFE-UHFFFAOYSA-N 384.360 -0.208 30 20 GBED CN(CCNS(C)(=O)=O)C(=O)[C@@H](C#N)Cc1ccc(-c2nn[nH]n2)cc1 1609276202 RKQOCFZRSCHJLO-CYBMUJFWSA-N 377.430 -0.443 30 20 GBED N#Cc1ccc(N2CCC(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)CC2)nc1 1609498304 FODWNXWEGISDDK-UHFFFAOYSA-N 379.388 -0.490 30 20 GBED Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N2CCOCC2)cn1 1729571544 ZECMZXOYHQPTPL-CQSZACIVSA-N 386.416 -0.734 30 20 GBED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782013829 PCXKXDIFKUJLDZ-IQUTYRLHSA-N 391.424 -0.791 30 20 GBED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2 1783887345 YHGAZRIFQLOXIU-SLEUVZQESA-N 378.516 -0.185 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)CCSC)C2)C1 1783962119 DAPFFIBUAGGMPO-VKJFTORMSA-N 384.498 -0.031 30 20 GBED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccncc3=O)[C@H]2C1 1790584361 PUHMIUGZGFCPHX-XUXIUFHCSA-N 380.470 -0.459 30 20 GBED Cc1nn(C)c(C)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791072746 ZZDAYBCIPKAWBL-KKUMJFAQSA-N 388.424 -0.282 30 20 GBED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(O)O)c(Cl)c1 1792799557 LKNDYIFWSLKAPZ-GNXNZQSNSA-N 379.800 -0.274 30 20 GBED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1793258361 AEYHEMZJMOUYQH-ZSBFGKGUSA-N 397.435 -0.757 30 20 GBED COC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793260236 KOVRWJKQCGHQGH-DFGXFYAUSA-N 377.441 -0.860 30 20 GBED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)O2)c1 1793419340 SCLOFZOCBXRQFT-FZKCQIBNSA-N 384.392 -0.130 30 20 GBED N#CCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1806280789 OOBSPGBWYMPKLW-GUYCJALGSA-N 384.396 -0.447 30 20 GBED C=CCC(=O)NC[C@@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1813060099 BCLMVBHZJXTUCA-PXNSSMCTSA-N 390.484 -0.050 30 20 GBED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822607527 MBESWJVAUKOKGF-OPDFLTKYSA-N 392.481 -0.184 30 20 GBED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCNC(=O)C1)CC2 1825674765 OSOJLFNIYVORNF-NXEZZACHSA-N 390.421 -0.331 30 20 GBED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1835356847 QCLLVMCDFGDVKW-SFHVURJKSA-N 394.428 -0.411 30 20 GBED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)nn1 1838351970 DJDWDVLYFVDRSK-SJKOYZFVSA-N 396.469 -0.127 30 20 GBED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccc(OC)c1OC)CCO2 1838841943 XBWROPNMZGOYPQ-IBGZPJMESA-N 389.408 -0.198 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1840163330 RIUYDFKIMRXHFM-GDZNZVCISA-N 385.486 -0.618 30 20 GBED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)CC1 1840192113 OLFSJFHVJQAVTH-KRWDZBQOSA-N 397.453 -0.436 30 20 GBED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840379628 CZBIOBXIFQNRIX-INIZCTEOSA-N 394.457 -0.343 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)N(C)C 1847260034 KSFOAXCISVXGDV-LAWSMPECSA-N 377.445 -0.682 30 20 GBED C[C@H](N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)Nc1ccccc1C#N 265430913 FQXLJIQCAYPTKD-XKQJLSEDSA-N 392.481 -0.027 30 20 GBED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(S(=O)(=O)NC)CC2)c(F)c1 298550148 YQGBFOHWHJUAOV-UHFFFAOYSA-N 386.380 -0.507 30 20 GBED CN(C)C[C@@H]1CN(C(O)=Nc2cnn(CC(=O)N3CCOCC3)c2)CCO1 329203071 YIINHPWIFIHSDQ-OAHLLOKOSA-N 380.449 -0.450 30 20 GBED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)CC1 330261530 UIMUISIBJOURQO-HZPDHXFCSA-N 385.534 -0.356 30 20 GBED C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N)C[C@@H](C)N1C 349514485 VBSSSIJSGZXTOR-MELADBBJSA-N 380.536 -0.096 30 20 GBED CN([C@@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)N1CCSC[C@H]1C#N 349520715 KPCQSKOFNCMDBI-CHWSQXEVSA-N 397.544 -0.302 30 20 GBED CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 410155505 ULSGSGHPRRJWBP-AWEZNQCLSA-N 396.535 -0.305 30 20 GBED C=CCN(CCc1ccco1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)O)C1 424513099 WXPWKBBVXJPBLE-ZDUSSCGKSA-N 384.410 -0.453 30 20 GBED CC(C)[C@@H](NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N)C(=O)N1CCOCC1 441433252 IBFSBZGKMNFDEY-CQSZACIVSA-N 390.444 0.274 30 20 GBED COC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 457251587 DDZWPFVABPRKNX-OSMZGAPFSA-N 381.410 -0.640 30 20 GBED CNC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 468074365 QYCURUGSMHKUJZ-AWEZNQCLSA-N 396.411 -0.334 30 20 GBED CC(=O)N[C@@H](CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)C(N)=O 469292435 RXICSDXJCCEAJL-UONOGXRCSA-N 389.437 -0.222 30 20 GBED CCNC(=O)C1(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CCC1 561974246 QGSMGYPHXASESX-UHFFFAOYSA-N 389.460 -0.323 30 20 GBED CN(C)CCN(C)CCCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 569515192 BBARIUCFEYFXPR-UHFFFAOYSA-N 381.502 -0.164 30 20 GBED CC(=O)N1CC[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C1 582974663 CFPXZNGNJUYHDY-LBPRGKRZSA-N 386.455 -0.612 30 20 GBED N#CCCN1CCN(C(=O)C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC1 602268166 OMTASXKSKKEDSU-IBGZPJMESA-N 399.495 -0.073 30 20 GBED COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cc1 615629200 JMTYCEZNFVKTNS-QGZVFWFLSA-N 376.344 -0.008 30 20 GBED N#CCNC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 796219685 HJUUOLXQNQQRPP-UHFFFAOYSA-N 385.345 -0.102 30 20 GBED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NCCn2cnc(C#N)n2)C1=O 803554593 QDJICYCWVBSXEU-GOSISDBHSA-N 397.395 -0.258 30 20 GBED Cn1cnc2c1c(=O)n(CC(=O)OCCOC1(C#N)CCOCC1)c(=O)n2C 809085057 JVHVDQFDVGELEO-UHFFFAOYSA-N 391.384 -0.934 30 20 GBED C=CCNC(=O)CN1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 823919886 SCVAOCGLPVWBSG-UHFFFAOYSA-N 381.444 -0.066 30 20 GBED C#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)Nc1nc(C)n(C)n1 848958515 QUPCROUIBKGVCV-UHFFFAOYSA-N 375.476 -0.317 30 20 GBED N#Cc1cc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@H]3C2)c[nH]1 985984921 XKULCGSOPMOJNS-SHPPOPEUSA-N 385.424 -0.160 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnnn2C)C1 990862156 OVOHVSUVJDRDDW-UXOAXIEHSA-N 386.416 -0.820 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 990879952 VKVSVRRZYDRHOM-CRWXNKLISA-N 376.417 -0.997 30 20 GBED C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)c1 994613168 JMQRWFBTGBHKHR-VDNDLQMASA-N 384.436 -0.080 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cccn(C)c2=O)C1 1024922178 WXEKIDYKFRUJRE-MIGQKNRLSA-N 375.425 -0.332 30 20 GBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3OCC[C@@H]3Cn3cccn3)C2)cn1 1041386371 YQVHPYLNVXIYDN-DNNBLBMLSA-N 383.412 -0.684 30 20 GBED C#CCNC(=O)CN1C[C@@H]2CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)C[C@]2(C)C1 1101363326 SLWODKWAGXRZRA-ASKKUZCQSA-N 390.484 -0.848 30 20 GBED C[C@@H]1[C@H](C(=O)N2C[C@@H](NCC(=O)NCC#N)[C@H](c3cncn3C)C2)CCN1C 1130994360 WAKFBSSTVOBWFX-KLHDSHLOSA-N 387.488 -0.716 30 20 GBED C=C(C)CN(CC)C(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 1193066746 GQTJPAVBBOSARK-KLHDSHLOSA-N 380.489 -0.513 30 20 GBED C#C[C@H](NC(=O)C(=O)N1CC[S@](=O)C[C@@H]1c1cnn(CC)c1)[C@H]1CCCO1 1261154391 KOZVPSKFVSTFHO-BFZLTUEWSA-N 392.481 -0.168 30 20 GBED C#CCn1ccc(CN(CC)C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)n1 1323306820 BNHKEEFISMFRCS-INIZCTEOSA-N 397.439 -0.480 30 20 GBED C=C[C@@H](COC)NC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 1323588267 SJFXKGBIIMDEIR-AWEZNQCLSA-N 393.465 -0.093 30 20 GBED C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1325014005 PCDOPGDDIFQFDL-QOHXFFFDSA-N 389.481 -0.030 30 20 GBED CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326528611 AXNDHLZHKWIEMJ-XJKSGUPXSA-N 386.474 -0.816 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)CCO1 1327010501 SYOLMIJHZNPOCJ-SNVBAGLBSA-N 383.330 -0.102 30 20 GBED CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H](CC#N)C2)CC1 1327378703 QUYSATKZXFNNHV-HOTGVXAUSA-N 375.473 -0.096 30 20 GBED C=CCC1(O)CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 1336472806 KMIKSPBXVLDJKL-OAHLLOKOSA-N 399.513 -0.058 30 20 GBED C=C(C)Cn1c(N2CCN(CC(=O)NCCOC)CC2)nnc1C(C)(C)O 1343613011 QTGPYMJPNWPYCD-UHFFFAOYSA-N 380.493 -0.034 30 20 GBED CN(C)C(=O)CN1CCN(c2nnc(-c3ccnc4c(C#N)cnn34)n2C)CC1 1345901198 UBYCUIFGRFFYMI-UHFFFAOYSA-N 394.443 -0.393 30 20 GBED C[C@@H](C#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 1573569820 FUKLJZTVFFFFNO-GTNSWQLSSA-N 384.400 -0.202 30 20 GBED C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(=O)OC)[C@H](CN)C1 1574843165 DRDSULIMGLRLKM-MGPQQGTHSA-N 397.501 -0.060 30 20 GBED C=CCCC(=O)N(C)C[C@H](O)CNC(=O)C1CCN(Cc2cnn[nH]2)CC1 1575085946 PDLLVSYHNIHTOB-MRXNPFEDSA-N 378.477 -0.082 30 20 GBED CO[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 1579859821 VJNGMLJMBZIARV-CHWSQXEVSA-N 380.372 -0.510 30 20 GBED C#CCNC(=O)[C@H](C)NCC[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353511 VRSJDVXONXDZIJ-QWHCGFSZSA-N 384.444 -0.226 30 20 GBED C#CCNC(=O)[C@@H](C)N1CC[C@@H](N(CC)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 1588353646 ZRZMWYPSVQZQLW-TZMCWYRMSA-N 384.444 -0.131 30 20 GBED C#Cc1ccc(CNC(=O)N2CC(n3cc(-c4nn[nH]n4)c(O)nc3=O)C2)cc1 1588373430 JMTAGDNLTBTIPU-UHFFFAOYSA-N 392.379 -0.123 30 20 GBED C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nn[nH]n2)nn1 1588713108 FOMLVTJBWXSBSU-WZRBSPASSA-N 393.415 -0.026 30 20 GBED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 1589787896 QYNVXVCJNRZTPY-LBPRGKRZSA-N 391.461 -0.138 30 20 GBED CCN(CCC#N)C(=O)CN1CCN(c2c(-c3nn[nH]n3)c(C)nn2C)CC1 1590690714 BTUYUKFARSMLEC-UHFFFAOYSA-N 386.464 -0.207 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCCO[C@H](CNc2cnc(-c3nn[nH]n3)cn2)C1 1602726183 QEOLIZWTFMBVEB-QWHCGFSZSA-N 386.416 -0.276 30 20 GBED CC(C)N(CCCNC(=O)Cn1cnc(C#N)c1-c1nn[nH]n1)S(C)(=O)=O 1603319828 BVMFLEPVFPLUFC-UHFFFAOYSA-N 395.449 -0.889 30 20 GBED CO[C@H]1C[C@@H](C(=O)O)CN(S(=O)(=O)CCOC2(C#N)CCOCC2)C1 1777158823 FZTJJEIFLBQILD-OLZOCXBDSA-N 376.431 -0.173 30 20 GBED COc1nc(C)ccc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779744068 ZNOUKFNDSNMWCC-LJQANCHMSA-N 387.392 -0.070 30 20 GBED N[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1cccnc1 1783562846 RRXFHPXVONZDCS-BEFAXECRSA-N 386.408 -0.611 30 20 GBED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1783563814 AMYSDVZOZFYWLX-GOSISDBHSA-N 383.364 -0.739 30 20 GBED NC(=O)c1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1 1783568171 PNDVCFIWPBMXLE-LJQANCHMSA-N 385.376 -0.683 30 20 GBED CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798690978 OTJLUCDCBLUNST-YWVIFJGQSA-N 394.453 -0.476 30 20 GBED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cnnn1)C2 1800108321 IPFGIFRZCIRHJN-BTTYYORXSA-N 376.417 -0.179 30 20 GBED N=C(N)SCC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812876684 UELCAWHFGMSRAX-MLGOLLRUSA-N 389.437 -0.198 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1812880802 MVTWQOLUIPSBKM-YVEFUNNKSA-N 383.364 -0.949 30 20 GBED CSCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831224372 KOPJQDZTSSOIEG-QFBILLFUSA-N 396.509 -0.030 30 20 GBED CC(=O)C[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043993 GXQNZOHEOUJIPM-UGSOOPFHSA-N 380.397 -0.854 30 20 GBED CC(C)[C@H](S)C(=O)N1CC2(CCCN2C(=O)CNCP(=O)(O)O)C1 1842873161 QXSOYTNYWRTGNI-LBPRGKRZSA-N 379.419 -0.131 30 20 GBED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)n1 1847261291 HLZYPIHETUVPCK-LDIIPZEWSA-N 387.396 -0.438 30 20 GBED N#Cc1c(CCCNC(=O)Cn2ccc(=O)[nH]c2=O)nn(-c2ccccc2)c1N 31556150 ZLMVFVZLMQJCOO-UHFFFAOYSA-N 393.407 -0.075 30 20 GBED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2COCCN2C2CCCC2)CC1 188926101 WRPUFUFNWRPDIF-SFHVURJKSA-N 376.501 -0.087 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CN(C)CCN1C 268829625 RROKWCFYVDQSGN-ZFWWWQNUSA-N 379.486 -0.413 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](CO)[C@H]1CCOC1 280544565 SZNLNIYHQNFCSC-QEJZJMRPSA-N 381.454 -0.014 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)NC)CC2)c1 298737142 ITZVZQUSWDIQDP-UHFFFAOYSA-N 378.454 -0.898 30 20 GBED O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)N1CC[C@H](N/C(O)=N/C2CC2)C1 329523768 QBGHVHUSGNBVDE-SIJPQNPESA-N 376.413 -0.584 30 20 GBED CNS(=O)(=O)NC1CCN(/C(O)=N/C[C@H]2CN(CC(C)C)CCO2)CC1 331355037 QCVYALWNKNNRMP-HNNXBMFYSA-N 391.538 -0.225 30 20 GBED Cc1[nH]nc(NS(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CCOC2)c1C#N 349559962 ANCVXJVSKBPUOD-LLVKDONJSA-N 391.475 -0.180 30 20 GBED CCN1C(=O)[C@H]2CN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CCN2C1=O 362305257 JZQLWMCZPFRVAH-JKSUJKDBSA-N 390.488 -0.353 30 20 GBED COCCN(CCC#N)S(=O)(=O)N1CCCC[C@H]1CNS(C)(=O)=O 409570821 QYRUPJPEAPAVOI-ZDUSSCGKSA-N 382.508 -0.503 30 20 GBED CN(CCC#N)S(=O)(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 443179248 VRKJQWAFRYBYQE-CYBMUJFWSA-N 382.442 -0.009 30 20 GBED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H](OCCO)C1 460599394 JKJDXFMHSNAKAY-HNNXBMFYSA-N 398.423 0.386 30 20 GBED COc1ccc(C(=O)N2CC(O)(CC#N)C2)cc1S(=O)(=O)N1CCOCC1 473368924 LSRBDPDBCSEUSA-UHFFFAOYSA-N 395.437 -0.183 30 20 GBED CN(CC(=O)NCC1(S(C)(=O)=O)CC1)S(=O)(=O)c1ccc(C#N)cc1 477222014 UJTLTAJFLBMITF-UHFFFAOYSA-N 385.467 -0.128 30 20 GBED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)N(C)C[C@@H](C)C#N 499748736 LMZXUESPCQAMPQ-AWEZNQCLSA-N 375.495 -0.955 30 20 GBED C=CCCO[C@H](C)C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 522860408 SHNWWPWLUOZKOM-CABCVRRESA-N 387.502 -0.585 30 20 GBED COC(=O)C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 558543678 NFGYZXANPCWMAB-ZDUSSCGKSA-N 381.410 -0.373 30 20 GBED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 592326493 ZFYLWQUKPHKVIJ-OCCSQVGLSA-N 398.379 -0.540 30 20 GBED CCOC[C@@H](C(=O)OC)N(C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 592776879 ZGUMSHUDUJYFLP-AWEZNQCLSA-N 383.426 -0.127 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(S(N)(=O)=O)ccc2F)C1=O 604602863 MSJVRZMXWRGRNS-UHFFFAOYSA-N 398.372 -0.934 30 20 GBED Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cn1C 727005696 DWJCLDINDJXRCW-OAHLLOKOSA-N 385.446 -0.396 30 20 GBED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CCOC 732561291 LAQHEWOJSRWCKJ-UHFFFAOYSA-N 387.465 -0.422 30 20 GBED N#Cc1c(F)cccc1S(=O)(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 742280088 ZNXUNNPMKZLYNR-UHFFFAOYSA-N 380.401 -0.191 30 20 GBED C[C@@H](CC(=O)NCC(=O)N1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 776499128 FHPAAMQSVIJZCD-LBPRGKRZSA-N 394.453 -0.521 30 20 GBED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](CO)[C@@H]1CCOC1 796442300 BOCZHJGUAGUYMX-CHWSQXEVSA-N 381.454 -0.124 30 20 GBED COCCN1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 801589359 PFYVBVVWYRTCQP-GFCCVEGCSA-N 394.453 -0.222 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)COc2nsnc2N2CCOCC2)C1=O 822658298 ZPKLSHVPQVHKMP-GFCCVEGCSA-N 381.458 -0.001 30 20 GBED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)O)c(F)c2)CC1 825687147 CNALEEYAGODGLY-UHFFFAOYSA-N 392.387 -0.091 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)c2c(Br)cnn2C)CC1 831579381 BDQTVABMPKFCMH-UHFFFAOYSA-N 390.263 -0.592 30 20 GBED O=C(CCC(=O)N1CCN(c2ncccn2)CC1)N[C@H]1CCCN(O)C1=O 848136191 LJODLKQPRRKHDG-ZDUSSCGKSA-N 376.417 -0.598 30 20 GBED C#CCN=c1nc(N(C)C[C@H]2COCCO2)[nH]c(N(C)C[C@@H]2COCCO2)n1 853830071 LCUMBVMFECHSDV-GASCZTMLSA-N 392.460 -0.958 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCn2cnccc2=O)C[C@@H]1O 964477022 TZJBYAVWFDUFFH-KRXQYRFLSA-N 390.440 -0.698 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccnn2CCOC)C[C@@H]1O 970706408 AENOPGOFOOTNQQ-VDERGJSUSA-N 378.429 -0.578 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3nc(O)[nH]c3n2)C[C@@H]1O 970711757 MQVCXJPIYKAAAD-QQUHWDOBSA-N 387.396 -0.444 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)c2cnn(C)c2)C1 990806945 LQBAGWBLPYXFAQ-WCVJEAGWSA-N 385.428 -0.215 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1C 994647467 PRCGXRCLQGKDQZ-VQHPVUNQSA-N 392.500 -0.438 30 20 GBED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)C(N)=O)CC1 1001871446 GWVLOKOLLGSWIP-FZKCQIBNSA-N 379.457 -0.035 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 1023455301 RUNOSZRHZZWHHG-LHHMISFZSA-N 381.473 -0.622 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCNC(=O)c2cnccn2)c1 1123815947 VVDXKFUNPWRFCA-UHFFFAOYSA-N 387.421 -0.452 30 20 GBED C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)CCN1c1nccn2cnnc12 1319439371 OMVCUNKCTUDXPK-LBPRGKRZSA-N 394.399 -0.480 30 20 GBED N#CCCCCCC(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1322913244 XLKDYNMZYCKKKX-HNNXBMFYSA-N 384.502 -0.092 30 20 GBED CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(OCC#N)c2)CC1 1323494161 GMZBPLZVLBVTNQ-UHFFFAOYSA-N 387.440 -0.515 30 20 GBED CCOC(=O)[C@H]1CCCN(C(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1326597354 QLYUDTRDBFVROE-VCHHOEMESA-N 392.412 -0.569 30 20 GBED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)nc1 1332038652 VVMHLVIWLLNFMW-QGZVFWFLSA-N 393.451 -0.199 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)CCN1C1CC1 1348618317 UGTSLXBVAXEMIW-FGTMMUONSA-N 395.463 -0.087 30 20 GBED N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)CCN1C1CC1 1351855713 UTDBIMDJKGOBFO-UTKZUKDTSA-N 395.463 -0.159 30 20 GBED N#Cc1nc(N2CCC(S(=O)(=O)N3CCCC3)CC2)cnc1-c1nn[nH]n1 1571293501 JXOOYZPUZCZBGH-UHFFFAOYSA-N 389.445 -0.077 30 20 GBED C[C@H](C#N)C(=O)N1CCN(C2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)CC1 1573569544 AWPHRUJSVPBKIP-LLVKDONJSA-N 383.416 -0.677 30 20 GBED C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H]2COC[C@H]2N1 1574921246 VOFKTJGAGJFGHN-XDQVBPFNSA-N 384.506 -0.113 30 20 GBED C#CCO[C@H](C)C(=O)N1C[C@H](O)[C@H](NC(=O)CCCCCc2cnn[nH]2)C1 1575013364 OCNYYSGTUUBIQA-BMFZPTHFSA-N 377.445 -0.366 30 20 GBED N#CCNC(=O)CN1CCC(CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 1581858191 UTTMRSZGJBNZJD-UHFFFAOYSA-N 385.432 -0.334 30 20 GBED C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 1588349825 NMGOHWQIEKUBGQ-GFCCVEGCSA-N 381.439 -0.322 30 20 GBED C#Cc1cncc(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1 1588380812 MQFLBDDHERIKRX-ZDUSSCGKSA-N 380.368 -0.908 30 20 GBED C=CC[C@H](CO)NC(=O)C(=O)Nc1cnn(-c2ncccc2-c2nn[nH]n2)c1 1588545902 QUIJESZCYCCEFQ-SNVBAGLBSA-N 383.372 -0.561 30 20 GBED CC(C)C#CC(=O)N1CCN(CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 1589384478 HPAXFBIDVHHFKH-UHFFFAOYSA-N 384.444 -0.272 30 20 GBED C[C@H](NC(=O)C#CC1CC1)[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCO1 1589911776 FAEPSZLHSASTMT-NHYWBVRUSA-N 383.412 -0.046 30 20 GBED C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@@H]1CN(C(=O)C#CC2CC2)CCO1 1589943791 XDPJNIBPGXFRSG-NHYWBVRUSA-N 383.412 -0.046 30 20 GBED C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)N1CC(O)(CC#N)C1 1589972982 CUJYVBKIWXJENR-JTQLQIEISA-N 391.413 -0.980 30 20 GBED N#CCNC(=O)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(-c2nn[nH]n2)c[nH]1 1592677943 MDWFREQIWFSGKS-ZIAGYGMSSA-N 383.416 -0.487 30 20 GBED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)O)C1 1602630976 GCZHSRYMEGOHBC-IRPJOTMOSA-N 378.385 -0.355 30 20 GBED C#CCOCCC(=O)NC[C@@]1(O)CCN(c2snc(C)c2-c2nn[nH]n2)C1 1602729227 KQMVCUMBYHIOEK-INIZCTEOSA-N 391.457 -0.271 30 20 GBED C=CCn1c([C@@H]2COCCN2C)nnc1N1C[C@@H](C(=O)OC)[C@@H](C(=O)O)C1 1602931950 GDWCAPMYJQWCMH-XQQFMLRXSA-N 379.417 -0.223 30 20 GBED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1778975022 WBLSCHKBQHVFBM-NJSLBKSFSA-N 379.457 -0.475 30 20 GBED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1782670467 JVQFLKCOFLPCFB-IFXJQAMLSA-N 385.424 -0.057 30 20 GBED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565770 PXPDNTBBXLUFTM-SFHVURJKSA-N 378.381 -0.586 30 20 GBED CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783681700 IEYLVRJHQFHQQV-FQUUOJAGSA-N 379.461 -0.037 30 20 GBED O=C(CN1CCOCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1786720885 IEPZZQBHKONJMK-BZSNNMDCSA-N 375.469 -0.288 30 20 GBED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1793317261 AHJLIYAMPLWVAA-NJMOYASZSA-N 393.531 -0.778 30 20 GBED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@H](O)C1)C2 1797741843 CPCSQSCAFDFLEE-FUWDYARCSA-N 378.473 -0.181 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)C(C)(C)C)C2)C1 1831386659 BYKXBQWLXJCSNM-GQIGUUNPSA-N 396.484 -0.112 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)C(C)(C)C)C2)C1 1831386661 BYKXBQWLXJCSNM-GUXCAODWSA-N 396.484 -0.112 30 20 GBED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)OCC#C)C2)C1 1831388451 SPNIUPPREHFPTQ-UWVAXJGDSA-N 392.452 -0.481 30 20 GBED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]n3)C2)C1 1831407135 NWAQCBYDNYUDIT-SFHVURJKSA-N 393.444 -0.143 30 20 GBED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC=O)C2)C1 1831492636 NMUMZWGFBVTVJE-GRDNDAEWSA-N 387.502 -0.468 30 20 GBED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832498276 DWRDRPIKWJAKLW-FXAWDEMLSA-N 386.404 -0.084 30 20 GBED COC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834400601 XSVTZIWWIKFVRU-KRWDZBQOSA-N 393.488 -0.377 30 20 GBED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4CCC(=O)N4)CCO3)C2)CCC1 1835126787 DUEJBINLJMQBIS-IFXJQAMLSA-N 390.440 -0.585 30 20 GBED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)CCO2 1835261486 NLISFCCMHDHNBD-KRWDZBQOSA-N 386.470 -0.709 30 20 GBED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836214286 MYHFDISAMXVRJO-INIZCTEOSA-N 399.398 -0.054 30 20 GBED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC=O)CCO2)C1 1839158638 MCZOILXIYKEMRB-RKVPGOIHSA-N 383.445 -0.832 30 20 GBED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1840175989 QEHMOLMMAPKABY-MSOLQXFVSA-N 384.429 -0.365 30 20 GBED CCS(=O)(=O)NCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 268757420 JWNMZELEPDTXCO-NSHDSACASA-N 388.471 -0.719 30 20 GBED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](C)N1CCN(C)CC1 268802664 JTRBBVAHLXZNAH-HUUCEWRRSA-N 393.513 -0.023 30 20 GBED COCCNC(=O)CN1CCN(C(=O)COc2ccc(C#N)cc2OC)CC1 273408131 BZGSUKWPZAFLJW-UHFFFAOYSA-N 390.440 -0.148 30 20 GBED COC(=O)[C@@H]1CS(=O)(=O)CCN1CCS(=O)(=O)c1ccc(C#N)cc1 274021900 LSUPQUQRCXVNEG-AWEZNQCLSA-N 386.451 -0.396 30 20 GBED Cn1cc([C@@H](O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 283128032 ZKAZGZYUTWJTTP-MRXNPFEDSA-N 389.437 -0.142 30 20 GBED COC[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C[C@@H](C)O1 298096765 NQEXTWGNALGMLE-ZBFHGGJFSA-N 387.440 -0.136 30 20 GBED O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)CC/N=C(/O)[C@@H]2CCCO2)CC1 328783032 JVXQXOGEEFUCOQ-KBPBESRZSA-N 389.474 -0.225 30 20 GBED CN1CCN(CC/N=C(/O)N2CCC(CS(N)(=O)=O)CC2)CC1(C)C 330373540 LIYALTGVWSCZFI-UHFFFAOYSA-N 375.539 -0.073 30 20 GBED CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(CC#N)CC1 349468389 JCLRUJUNLKQSRI-UHFFFAOYSA-N 397.482 -0.339 30 20 GBED C[C@H]1[C@@H](C)N(S(=O)(=O)CCCCS(=O)(=O)N(C)CC#N)CC[S@]1=O 349622319 QYQQTJUAOKMZRB-GPAUDHNESA-N 399.560 -0.277 30 20 GBED C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCC(=O)O)cc1 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396.451 -0.387 30 20 GBED COCC[C@@H](COC)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 571537248 ZVVODZCLBKPTMZ-LBPRGKRZSA-N 391.471 -0.182 30 20 GBED CCOC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 574028662 ZJJWVMQCNUXCKJ-QGZVFWFLSA-N 386.368 -0.492 30 20 GBED Cc1c(C#N)c(=NC(=O)[C@H]2C(C)[C@@H]2C(=O)N=c2[nH]n(C)c(C)c2C#N)[nH]n1C 598846838 VZFJFUPCAVGJBM-KBPBESRZSA-N 380.412 -0.183 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 600427109 ZKMLOBCFOKALFW-MISXGVKJSA-N 385.467 -0.083 30 20 GBED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H](CN3CCCC3=O)C2)C1=O 658675881 CPYHWVSHUGBMCJ-CABCVRRESA-N 376.457 -0.297 30 20 GBED COCCN1C(=O)c2ccc(C(=O)N3CCN(CC#N)CC3)cc2S1(=O)=O 744561455 XKYYBZTUODCCSD-UHFFFAOYSA-N 392.437 -0.241 30 20 GBED C[C@@H](OC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C(=O)N(C)CCC#N 745587420 XKDDUMROQDZHDF-LLVKDONJSA-N 381.410 -0.137 30 20 GBED CC(C)C[C@@H](CNC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(=O)O 818656874 MEZJTXJPIWWIND-IVPXEPLCSA-N 380.401 -0.508 30 20 GBED 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383.445 -0.107 30 20 GBED CS(=O)(=O)CCn1cccc(NS(=O)(=O)c2cncc(C#N)c2)c1=O 1323991930 VDLZINGIUWMNRD-UHFFFAOYSA-N 382.423 -0.040 30 20 GBED C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)N1CCN(C3CC3)[C@H](C#N)C1)C[C@@H](C)O2 1331997928 RDUBRUWETCNRCB-QHHYFVSCSA-N 376.457 -0.020 30 20 GBED C=C(C)Cn1c([C@H]2SCCNC2=O)nnc1N1CCN2C(=O)NC[C@H]2C1 1342316338 RGDSKIVFSBEQRA-NWDGAFQWSA-N 377.474 -0.028 30 20 GBED C#CCN(CC#CC)c1nnc(-c2cn(C)c(=O)n(C)c2=O)n1C[C@@H]1CCOC1 1345239195 KVDHFEQVUFDPHT-HNNXBMFYSA-N 396.451 -0.158 30 20 GBED C#CC[C@H](CCOC)NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 1348372449 QLJSYJXCGLUQCH-CQSZACIVSA-N 391.428 -0.775 30 20 GBED C=CCn1c([C@@H]2CC(=O)N(C)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 1350529367 BFZNMENXLXALEX-CQSZACIVSA-N 375.477 -0.380 30 20 GBED C[C@H](CCCNC(=O)CC(=O)NCc1cnn[nH]1)NC(=O)c1ccc(C#N)[nH]1 1575526422 CRKOFHFJACWJPP-LLVKDONJSA-N 386.416 -0.274 30 20 GBED Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)n1 1581083579 PVUPADNPNAPBME-ZIAGYGMSSA-N 379.384 -0.251 30 20 GBED C#Cc1ccc(C(=O)NC[C@@]2(O)CCN(c3cncc(-c4nn[nH]n4)n3)C2)cn1 1588371473 IMGMLIPGBQDLHA-SFHVURJKSA-N 391.395 -0.596 30 20 GBED C#Cc1cncc(C(=O)N2CCO[C@@H](CN=c3cc[nH]c(-c4nn[nH]n4)n3)C2)c1 1588380659 KGGXLFAERZLBMJ-AWEZNQCLSA-N 391.395 -0.592 30 20 GBED N#CCSCC(=O)NC[C@H]1COCCN1c1cnc(-c2nn[nH]n2)cn1 1592679085 FLQZKLGRMQAQBZ-JTQLQIEISA-N 375.418 -0.765 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC(=O)O)CC1 1593338745 BWCMNHNQZPVGRP-LBPRGKRZSA-N 380.426 -0.546 30 20 GBED Cc1nn(C)c(N2CCN(C(=O)[C@@]3(C#N)CCCOC3)CC2)c1-c1nn[nH]n1 1606109318 BLCJRSHPBVRZKL-QGZVFWFLSA-N 385.432 -0.122 30 20 GBED N#C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1nnc2n1CCOC2 1606338232 SHCNLADEONJGQX-CYBMUJFWSA-N 379.384 -0.013 30 20 GBED N#Cc1nccc(N2CCO[C@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 1606398700 TVGFQLZWZFMONP-LLVKDONJSA-N 380.372 -0.508 30 20 GBED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779529264 YSBWOBQJCWORBT-QFYYESIMSA-N 380.426 -0.063 30 20 GBED CN(C)C(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780330140 JRARZNFSERAKRB-GOSISDBHSA-N 388.428 -0.399 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1783107913 AJPFIHUMXWFCTC-BBRMVZONSA-N 389.389 -0.247 30 20 GBED Cn1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(C(F)F)n1 1783561953 SAASPFSWXATPFV-QGZVFWFLSA-N 396.350 -0.111 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784335871 MFSAOBIYXFTPMC-CRAIPNDOSA-N 375.429 -0.464 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2C1 1789762892 WPDZQNSVQZLDBY-KBCNZALWSA-N 395.500 -0.738 30 20 GBED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4cccnc4n3)C[C@@H]21 1791076943 QTTJUADFRHSJRL-YDHLFZDLSA-N 397.391 -0.589 30 20 GBED CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)N(CC)CC 1793461339 FOGZJORMGZHNHK-KRXQYRFLSA-N 379.457 -0.216 30 20 GBED CC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797744207 XFNNHTRZZUNCSZ-UTFDRKPLSA-N 379.461 -0.816 30 20 GBED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n[nH]1)C2 1799305162 RNCFTMVORGPCJS-DRXBFXEBSA-N 392.412 -0.172 30 20 GBED CC(C)(C)OC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778777 GAHCDNYBJNAKTC-DRXBFXEBSA-N 395.412 -0.811 30 20 GBED Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)S)no1 1800985137 WYCDUTDFTIORKU-OHTBPHCPSA-N 396.469 -0.379 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCNC(=O)C1 1801066889 GHKRKLMYIWYMRD-XGYYKPKNSA-N 393.484 -0.325 30 20 GBED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccncc2=O)C3)CCC1 1801985433 VMGKQQDBPDYKQL-XOIINTDNSA-N 385.424 -0.473 30 20 GBED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)nc3cccnn13)C2 1801988870 PVZXDGPIYMNUCU-CLLJXQQHSA-N 395.375 -0.571 30 20 GBED CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1837239227 TVQSBYLHGCKPKV-MYUZEXMDSA-N 397.497 -0.095 30 20 GBED CN(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838735069 VFPOJYHVJUMMNR-IBGZPJMESA-N 389.456 -0.092 30 20 GBED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1840158606 NWYMFOXCRAPCKE-BDJLRTHQSA-N 382.442 -0.430 30 20 GBED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840234401 OWZHDSHLAGYSPM-KXBFYZLASA-N 377.441 -0.618 30 20 GBED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNCP(=O)(O)O 1847813087 VIJIWSUZLFBWBM-AVGNSLFASA-N 375.362 -0.496 30 20 GBED C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)n2[nH]nnc2n1 1848061596 GCLWDYRZTVFYJC-RYUDHWBXSA-N 389.441 -0.453 30 20 GBED N#CCCNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 10733545 BMCNRBTYKPTHBX-UHFFFAOYSA-N 381.410 -0.106 30 20 GBED CCCCN(C(=O)Cn1c(=O)c(C#N)cn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 28190165 GPRKOFDVPLHZLF-AWEZNQCLSA-N 396.469 -0.283 30 20 GBED CCCCn1c(=O)[nH]c(=O)c2c1nc(Cn1c(=O)c(C#N)cn(CC)c1=O)n2C 71858368 AOXLSKVTMOFFGM-UHFFFAOYSA-N 399.411 -0.513 30 20 GBED C=C(C)C/N=C(/NCC(=O)N(C)C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 262349451 YNQAALAOKSALSE-SFHVURJKSA-N 378.477 -0.094 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)CC1 268521784 VBHCODREHFQAMH-UHFFFAOYSA-N 395.445 -0.524 30 20 GBED CNC(=O)CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 272784429 FMXXSLNOLJKNPE-UHFFFAOYSA-N 393.469 -0.931 30 20 GBED Cc1nnc(S)n1CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 290170978 XYVKPUFBTFOOKK-UHFFFAOYSA-N 380.455 -0.158 30 20 GBED C[C@H](O)CN1CCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 297802300 KHDFYTREHBEBFK-KRWDZBQOSA-N 399.495 -0.273 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(C(=O)c3ccoc3)CC2)C1=O 299555035 RIOGSROQIZWRIW-UHFFFAOYSA-N 388.380 -0.023 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CCn2cnnc2[C@@H]1C 349464304 WBZZOBJDWVJWKD-QWRGUYRKSA-N 376.464 -0.794 30 20 GBED C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H]([C@@H]2CCOC2)C1 349505941 ULQTYTYNVSUFKB-BFHYXJOUSA-N 379.504 -0.104 30 20 GBED CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N 349524586 PUAUFFQISJYWAH-STQMWFEESA-N 394.519 -0.664 30 20 GBED N#C[C@H]1CC[C@@H](NC(=O)C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCCN3)C2)C1 424541567 HNCNQAWDTXDXDC-JJXSEGSLSA-N 375.473 -0.098 30 20 GBED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCCCN1CCCC1=O 464856732 JAAQHFWKAZIPFN-OAHLLOKOSA-N 385.472 -0.013 30 20 GBED CCOC(=O)[C@@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 469071554 QCCJDRIUMDWZQF-BZNIZROVSA-N 383.426 -0.345 30 20 GBED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCCN(S(C)(=O)=O)CC2)n1 539137156 KVXCMTNVWDBMAD-UHFFFAOYSA-N 382.446 -0.232 30 20 GBED CCn1c(N)c(C(=O)CN2CCN(c3cccc(C#N)n3)CC2)c(O)nc1=O 546213373 PGICGPJVCOYUBQ-UHFFFAOYSA-N 383.412 -0.177 30 20 GBED CC(C)[C@H](C#N)N1CCN(C(=O)CN2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@H](O)[C@H]32)CC1 550657809 TZWQYOLEFKEYHU-PIMQPIAXSA-N 388.512 -0.261 30 20 GBED CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)C(=O)O 594537806 HZUQBYXHNWUKOL-CHWSQXEVSA-N 388.428 -0.142 30 20 GBED Cc1ccc(C#N)cc1S(=O)(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 609632165 RYMDRYUHDZNQIG-CYBMUJFWSA-N 385.467 -0.162 30 20 GBED N#CCc1ccc(OC[C@@H](O)CN2CCC[C@H](CNS(N)(=O)=O)C2)cc1 610091288 DSGMTQXRYXGQSI-CVEARBPZSA-N 382.486 -0.003 30 20 GBED C=CCNS(=O)(=O)c1cccc(C(=O)NC2CC(NS(C)(=O)=O)C2)c1 669923393 QGTHWFMFIJRCNZ-UHFFFAOYSA-N 387.483 -0.039 30 20 GBED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c1=O 671654230 XZFVZZWKVAHZJJ-UHFFFAOYSA-N 387.465 -0.445 30 20 GBED CCNS(=O)(=O)CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758471636 DNBHVSSUAPLEQP-VXGBXAGGSA-N 389.478 -0.016 30 20 GBED Cn1cc(C(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 787062131 GUABCNWEIJFJHW-GFCCVEGCSA-N 385.336 -0.369 30 20 GBED Cn1c(=O)c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccccn3)n(C)c2n(C)c1=O 789404908 KKYKHAICKJRGQQ-NSHDSACASA-N 380.364 -0.068 30 20 GBED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](C)O[C@]3(CCOC3)C2)c1=O 794710660 ZIJHFJAOFIPPGF-KBXCAEBGSA-N 378.429 -0.619 30 20 GBED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 795093647 PQOXQFZXOKKARE-UHFFFAOYSA-N 396.425 -0.341 30 20 GBED C#C[C@H](NC(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@@H]1CCCO1 808470889 LYISIENIWGEYHJ-OJFNHCPVSA-N 385.420 -0.793 30 20 GBED C#CCCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 810785367 FIRSEIFVLWWDCB-UHFFFAOYSA-N 389.455 -0.871 30 20 GBED CN(C[C@@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)N1CCO[C@H](C#N)C1 819881740 TWGRWAASUGSGMP-NWDGAFQWSA-N 378.451 -0.727 30 20 GBED C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](Oc2ccccc2)C(C)(C)O)CC1 831574396 FOSYLMRUEHMXAC-INIZCTEOSA-N 395.481 -0.183 30 20 GBED O=C(CCC(=O)N1CCN(c2ncccn2)CC1)N[C@@H]1CCCN(O)C1=O 848136188 LJODLKQPRRKHDG-CYBMUJFWSA-N 376.417 -0.598 30 20 GBED C#CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1 848943564 MPBIWRXPXCVTFB-AWEZNQCLSA-N 397.478 -0.021 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)CN1CCCNC1=O 960609825 PUTKENDCBWNKFA-FXUDXRNXSA-N 392.456 -0.569 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]2C1 962402499 KHQOMYSWGWOISS-YUDUXTHKSA-N 377.441 -0.473 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cnnn2CC)C1 962747007 CXMBVSIJHKBRCU-XRGAULLZSA-N 377.445 -0.029 30 20 GBED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(=O)c(OC)co2)C1 968865168 OXIPGNJHZBLREI-UXOAXIEHSA-N 392.408 -0.069 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)C(N)=O)C1 990944446 XQKQECSWVFXGIN-CRWXNKLISA-N 376.417 -0.997 30 20 GBED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2ccccc2=O)C1 1023669125 ZNRDJPUMXKZARC-MKSNKDDYSA-N 389.452 -0.093 30 20 GBED C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnn3ccc(C)nc23)C1 1024800889 ORYQQFBMLBIZSD-MIGQKNRLSA-N 385.424 -0.070 30 20 GBED N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)cn1 1041426328 VQCTWIGTBNJIIC-WFFHOREQSA-N 387.318 -0.640 30 20 GBED C=CCNC(=O)CN1CCO[C@](C)(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1108094696 YLRRPODLZWONOW-MFWIUYSUSA-N 381.473 -0.453 30 20 GBED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCC(=O)N1CCOCC1 1110065825 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1260310538 ZPWOLHZTFFOFAG-CALCHBBNSA-N 392.500 -0.599 30 20 GBED CN(CCn1cc(Br)cn1)C(=O)C(=O)N1CC[C@](O)(CC#N)C1 1326232390 ZLRRQAFCBSSOMQ-CQSZACIVSA-N 384.234 -0.019 30 20 GBED COCCC(=O)N1CCC(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1330012623 FOBZSAILJWEOLZ-MRXNPFEDSA-N 391.472 -0.671 30 20 GBED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(N2CCN(C)CC2)C1 1332563981 PMQUXLPCZZJQHB-CQSZACIVSA-N 391.497 -0.317 30 20 GBED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3csc(C#N)c3)CC2)CC1 1344046441 COGRRRPVCQUKMZ-UHFFFAOYSA-N 383.499 -0.130 30 20 GBED C=CCn1cnnc1S(=O)(=O)[C@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1 1344744120 MALZNSQFTHLXIO-NEPJUHHUSA-N 390.487 -0.338 30 20 GBED N#C[C@@H](C(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)N1CCS(=O)(=O)CC1 1346026272 JLTCPUPPQAHYCB-NSHDSACASA-N 377.378 -0.403 30 20 GBED N#Cc1cn(CC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c(=O)nc1O 1569461128 NCDAQVQCKKTLND-MRXNPFEDSA-N 383.408 -0.644 30 20 GBED C#CCOCCC(=O)N1C[C@@H](C)[C@H](CN[C@@H](C)C(=O)NCc2cnn[nH]2)C1 1575012659 FNMPZJDHCWGTAW-QLFBSQMISA-N 376.461 -0.467 30 20 GBED C[C@@H](C#N)C(=O)N1CCC(OC2CN([C@H](C)C(=O)NCc3cnn[nH]3)C2)CC1 1575175549 BIWGJLUVPHNJDW-QWHCGFSZSA-N 389.460 -0.339 30 20 GBED C#CCN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CCN([C@@H]2CCNC2=O)CC1 1588348659 GXBMYTVHZLAUCO-OAHLLOKOSA-N 382.428 -0.377 30 20 GBED C#CCNC(=O)CN1CCC2(CC1)C[C@H]2NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 1588354580 QPKPNUUZPSPBQU-CQSZACIVSA-N 382.428 -0.472 30 20 GBED C#CCN(C(=O)C(=O)N1CCN(C(C)(C)C(=O)O)CC1)C1CCN(C)CC1 1588458989 VYFJMRIMYFCQMF-UHFFFAOYSA-N 378.473 -0.450 30 20 GBED C#C[C@@H]1CCCCN1C(=O)C(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1 1602690525 FBDFAFZGKNSJJS-OAHLLOKOSA-N 394.439 -0.075 30 20 GBED C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)[C@H](CC(=O)O)C1 1602710801 PHJDLOFIIOHTLC-MGPQQGTHSA-N 396.469 -0.135 30 20 GBED C#Cc1ccc(C(=O)N(CCO)CCN=c2cc[nH]c(-c3nn[nH]n3)n2)nc1 1602735832 UCIHGWUVDIHLAC-UHFFFAOYSA-N 379.384 -0.999 30 20 GBED N#CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](O)C[C@@H](C(=O)O)C2)cc1 1608183654 FSQZCWCJKSILNU-OLZOCXBDSA-N 381.410 -0.214 30 20 GBED N#Cc1ncn(CC(=O)NCCOc2ccc3c(c2)OCO3)c1-c1nn[nH]n1 1609501229 JEFPDMUAMVDZMS-UHFFFAOYSA-N 382.340 -0.141 30 20 GBED CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C#N)CC1 1618843149 RSGSWSCAJILEEV-UHFFFAOYSA-N 378.462 -0.032 30 20 GBED Cn1nncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782011348 VUHSDWFFLCYBDQ-CXAGYDPISA-N 375.385 -0.969 30 20 GBED NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1783147223 AEAJBFQLANMDRS-CLBJDOSESA-N 396.444 -0.389 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3ccccc13)CCO2 1783561974 UQSFEIAKIYLHKU-IBGZPJMESA-N 382.376 -0.134 30 20 GBED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nccc3nc[nH]c13)CCO2 1783563166 XSJCHCMYRSOQAC-SFHVURJKSA-N 383.364 -0.511 30 20 GBED C=CC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]2C1 1790636433 KQZRBUDUAHRYSZ-AJNGGQMLSA-N 395.456 -0.279 30 20 GBED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[C@H]1SC(=N)NC1=O 1796427360 LWHNQIUMSIONMX-GGUBGCTKSA-N 392.481 -0.208 30 20 GBED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c[nH]c(=O)cn1)C2 1797711992 NGPSGAFEKFLOGU-FAXLKDOZSA-N 390.440 -0.454 30 20 GBED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnsc1C1CC1)C2 1800778393 RSUATGYGPBZWBF-GNXNZQSNSA-N 390.421 -0.293 30 20 GBED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1800988596 OCPPMAIDBZJDTA-LVQVYYBASA-N 396.557 -0.326 30 20 GBED C#CC(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1806085576 WMPJHAVCMBJQNT-KSSFIOAISA-N 392.419 -0.026 30 20 GBED C[C@@H](S)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1C(=O)CNC1=O)CC2 1826013020 KTJSWAMLWGPPBT-HTQZYQBOSA-N 397.482 -0.075 30 20 GBED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCO3)C2)C1 1831402460 ZYAHFBZHBGYMPW-GJYPPUQNSA-N 380.441 -0.340 30 20 GBED N=C(N)NCC(=O)N1CCC(OC2CCN(C(=O)C#CC3CC3)CC2)CC1 1836823567 KCYOCEDORSKMBF-UHFFFAOYSA-N 375.473 -0.119 30 20 GBED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC=O)CCO2 1839165880 YETVGASQPHPGHC-QFBILLFUSA-N 379.457 -0.229 30 20 GBED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCC(=O)N4)C3)C2)CCC1 1840812988 WWFHNMBMPKUBDL-LIRRHRJNSA-N 390.440 -0.585 30 20 GBED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1840840494 UWQKQVBSSNXFOD-SFHVURJKSA-N 376.413 -0.391 30 20 GBED N#Cc1ncn(CC(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)n1 178419597 HRCWJNSVLGCXAH-UHFFFAOYSA-N 379.424 -0.117 30 20 GBED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCN(CC(F)(F)F)C2)C1=O 263795686 NBHKVGXDWSTSQG-SNVBAGLBSA-N 376.335 -0.036 30 20 GBED C#CCNS(=O)(=O)c1cccc(C(=O)NCCCN2C(=O)CNC2=O)c1 264449599 HRRVSHGGCFRZIO-UHFFFAOYSA-N 378.410 -0.730 30 20 GBED C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 265316086 MPTLSCGJGUAFRH-GFCCVEGCSA-N 394.453 -0.174 30 20 GBED COCCN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(C#N)cc1 266144939 UTJPYLRMMBUXRX-UHFFFAOYSA-N 396.407 -0.015 30 20 GBED C=CCCOCCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 270206022 JPDZSZFWOBEBPH-UHFFFAOYSA-N 375.385 -0.720 30 20 GBED C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 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C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)C1=O 374288670 QSYHGCWPTLPCRF-LBPRGKRZSA-N 375.385 -0.097 30 20 GBED N#Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)c1Br 419673878 HYYJZWWIQVOBEZ-UHFFFAOYSA-N 395.213 -0.078 30 20 GBED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)C1=O 440286451 XXVRPCKIBWAUQM-CYBMUJFWSA-N 384.396 -0.154 30 20 GBED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)C(=O)N1CCOCC1 481487192 ASWWCKSMMMZPEU-QWHCGFSZSA-N 394.453 -0.411 30 20 GBED C=CCNC(=O)CNS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 537426455 UMXWHQAVWQOTNV-UHFFFAOYSA-N 382.364 -0.102 30 20 GBED Cc1nc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1C 576850454 CHKDIPMQTCKDLQ-CQSZACIVSA-N 381.396 0.246 30 20 GBED Cc1nsc(N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)c1C#N 584320632 FELKCZZQZUTLIO-GFCCVEGCSA-N 382.471 -0.086 30 20 GBED C[C@H]1COCCCN1S(=O)(=O)CCCS(=O)(=O)N(CC#N)CC#N 594637384 OAODRGKSURRGEL-ZDUSSCGKSA-N 378.476 -0.504 30 20 GBED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](S(=O)(=O)NC)C2)c1 676732695 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